A0A5K4FBS0_SCHMA Loading...

Myotubularin phosphatase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,107 aa.

						>A0A5K4FBS0_SCHMA|A0A5K4FBS0
MDNVPCCYCAYEVPFHGVSSEHPTGHLLTAVRNSGEKQLVGKPLDKIFRFGCFEVVHNKLTLYGILGLSNWEVLFVPCINLGQINREEINATRQLLSQALHRTEPYFYHSWISNRPGCIGLGKIDYLLIQDRHDRIYKFDPIHNLWLRSVNGSKLNFKKCWLNESKKLPPHTPSRLFILTTDFEVYNFQLCYDNLKLIKISLLTSKESNILRKNIKSNINLFINSLTKRISHIRRSTGYLLANEYAIHNLETLLIVKQNTNFSSYKRSNVNINESNRNNNEYNFSVNITPINSLTRLKTTWYHRLKGNYTIIDNTDFAYCRTLPLEIPTIAFKMSVIIFRDYFEGHRFPILSFYYSNSLVHSKNSNLYKHYPPYSLTATTATNTNTTTTTSPVSMPLVPRFGVWILRSGNLLTDININQLIDCNDQLSTSNQQRLFIKHIKLSFSDHLNELFKDRNIAKSTEQTFQEFYIPFQEDSLKDLCSADDYPSITTSDHSNNDHHNADIAKSSEQNGFIPSLFTTDIYKMNQHYENWLIPKHNHIKQSWLQLKNLIQLPQIYTPNVEIFNEFTNTTNNSSSSMNNTTNYDSSVVVSGYQSLNNVGTATTTTTNTTTNSNDNLLFMNWDTLSTDSLSSDREKKYSNIFLRSKSKQQMDHLMINKRLSTRSDWRKFSFSNLLKSDGDDYHNNRHNNVIHNNHTNTTNNNKSSSSNNIRNSISQSFSRNYSYLYLLNKKKLDHFAFQYSPHRSDWYDYLLSTNWLDLLLFILKQATQLSQLINQYSIKPMDNYNGTIILLSGPDSGRNWQPILMSLVQIILSAENRTILGFENLIEQEWIRYGYPFVPDPIDWHDDSISCDYDDGVCFALFIDCVHQLLIQFPTEFAFTEDYLVLLLDSALSRGGGTPPFTIEFSCSCEAARHVKTKSMTQEQIIEKSNYFHNIGAWRSFHNWNDILTNNGYQLLFNWLYYWQYNSDPINNTSDYAKLIQTIDQSTRRILTPILSPLYYPRFWIHAWYRWNRSTRLTNGGGYAFNAAYYRNLLRSTISNDHHHHQSIIPRTSTSPYTGWLSDESIMNALNRIVLPAPFDNFYKTLYEIANLWDNEYWDTHLVDCE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	27.7	Very low	184 Å²	184	125.9 Å²	125.9	91%	0.906	69%	0.692	S	S	*	*				0	77.2	0	-107.8	-68.1	-170.2	0	0	107.1	N3	M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.12Å; M1-N3 VanDerWaalsContact O-N 3.12Å
2	D	26.4	Very low	27.2	Very low	154 Å²	154	128.3 Å²	128.3	82%	0.824	69%	0.694	S	S	*	*			trans	-98.8	29.4	-142.9	-42.7	-42.9	0	0	0	112.6
3	N	31.2	Very low	27.4	Very low	150 Å²	150	129 Å²	129	80%	0.802	71%	0.705	S	S	*	*			trans	-133.7	49.5	-164.9	-78.2	-37.4	0	0	0	112.4	M1 P5	M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.12Å; M1-N3 VanDerWaalsContact O-N 3.12Å; N3-P5 VanDerWaalsContact C-CD 3.49Å; N3-P5 WeakPolarHBondContact O-CD 3.34Å
4	V	31.9	Very low	27.2	Very low	110 Å²	110	127.8 Å²	127.8	67%	0.667	71%	0.706	S	S	*	*			trans	-114.8	83.3	166	-173.7	0	0	0	0	109.2
5	P	27.1	Very low	27.1	Very low	106 Å²	106	132.1 Å²	132.1	69%	0.688	72%	0.716	S	S	*	*			trans	-72.8	150.9	173.8	31.4	-34.7	0	0	0	111.3	N3	N3-P5 VanDerWaalsContact C-CD 3.49Å; N3-P5 WeakPolarHBondContact O-CD 3.34Å
6	C	25.6	Very low	27.2	Very low	99 Å²	99	136.3 Å²	136.3	67%	0.669	73%	0.728	S	S	*	*			trans	66	93.5	169.3	-55.5	0	0	0	0	117.2	L81	C6-L81 HydrophobicContact CB-CD1 4.48Å
7	C	27.1	Very low	27.1	Very low	65 Å²	65	132.9 Å²	132.9	44%	0.439	73%	0.734	S	S	.	*			trans	-133	125	146.7	-78.9	0	0	0	0	107.8	V76	C7-V76 HydrophobicContact CB-CG1 4.41Å
8	Y	24.6	Very low	26.9	Very low	224 Å²	224	134 Å²	134	88%	0.878	74%	0.744	S	S	*	*			trans	-137	113.3	-175	-134.3	-78.2	0	0	0	108.5
9	C	27.5	Very low	27	Very low	95 Å²	95	132.3 Å²	132.3	64%	0.642	74%	0.742	S	S	*	*			trans	-119.2	113.2	172.8	-76.6	0	0	0	0	108.8
10	A	24.6	Very low	27	Very low	73 Å²	73	131.5 Å²	131.5	60%	0.603	75%	0.746	S	S	*	*			trans	-140.2	128.8	171.8	0	0	0	0	0	107.8
11	Y	28	Very low	27.1	Very low	125 Å²	125	132.8 Å²	132.8	49%	0.49	75%	0.746	S	S	.	*			trans	-127	108.9	177.5	-71.2	-73.1	0	0	0	108.7
12	E	22.8	Very low	27.1	Very low	155 Å²	155	131.9 Å²	131.9	72%	0.724	74%	0.739	S	S	*	*			trans	-108.2	135.3	161.1	-83.8	-168.5	126.5	0	0	108.4	R32	E12-R32 IonicContact OE1-CZ 3.92Å; E12-R32 IonicContact OE1-NH2 3.73Å; E12-R32 PolarHBondContact OE1-NH2 3.3Å
13	V	28.6	Very low	27.2	Very low	137 Å²	137	130.4 Å²	130.4	83%	0.83	74%	0.738	S	S	*	*			trans	-141.3	121.6	164	-175	0	0	0	0	107.3
14	P	25.8	Very low	27.1	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	74%	0.736	S	S	*	*			trans	-98	155.1	-173.2	36.3	-34.8	0	0	0	114.8
15	F	25.3	Very low	26.8	Very low	193 Å²	193	127 Å²	127	85%	0.846	74%	0.735	S	S	*	*			trans	31.4	118.1	153.5	-84.4	-90.6	0	0	0	121.2
16	H	28.3	Very low	26.8	Very low	198 Å²	198	129.4 Å²	129.4	92%	0.917	74%	0.737	S	S	*	*				-175.9	152.4	115.4	-88.6	-63.4	0	0	0	109.9
17	G	25	Very low	26.9	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	74%	0.744	S	S	*	*			trans	110.9	97.7	160.3	0	0	0	0	0	117.9
18	V	24.2	Very low	26.8	Very low	152 Å²	152	137.3 Å²	137.3	92%	0.921	77%	0.767	S	S	*	*			trans	-70.9	136.3	176.9	172.6	0	0	0	0	114.2
19	S	28.6	Very low	26.9	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	76%	0.757	S	S	*	*			trans	-161.4	170.6	133.9	81.2	0	0	0	0	111.1
20	S	26.5	Very low	26.8	Very low	116 Å²	116	131 Å²	131	81%	0.811	76%	0.757	S	S	*	*			trans	-116.9	31.5	-155.4	56.9	0	0	0	0	116.5
21	E	28.7	Very low	27	Very low	159 Å²	159	133.8 Å²	133.8	74%	0.743	77%	0.766	S	S	*	*			trans	-119.2	9.3	-162	-61.3	-173.2	151.4	0	0	116.8
22	H	31.6	Very low	26.9	Very low	165 Å²	165	137.4 Å²	137.4	76%	0.764	78%	0.779	S	S	*	*			trans	-134.8	121.9	180	-87.7	-6.2	0	0	0	115.3	T24	H22-T24 VanDerWaalsContact C-N 3.31Å; H22-T24 PolarHBondContact O-N 2.91Å
23	P	27.6	Very low	27.1	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	3.4	178.9	33.9	-36	0	0	0	114.6	G25	P23-G25 VanDerWaalsContact C-N 3.26Å; P23-G25 PolarHBondContact O-N 3.25Å
24	T	29.7	Very low	27.1	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	9.9	-178	38.9	0	0	0	0	114.6	H22 H26	H22-T24 VanDerWaalsContact C-N 3.31Å; H22-T24 PolarHBondContact O-N 2.91Å; T24-H26 VanDerWaalsContact C-N 3.31Å; T24-H26 PolarHBondContact O-N 3.16Å
25	G	25.8	Very low	27.1	Very low	63 Å²	63	134.3 Å²	134.3	65%	0.649	78%	0.784	S	S	*	*			trans	-76.7	2.1	-177.8	0	0	0	0	0	117.1	P23	P23-G25 VanDerWaalsContact C-N 3.26Å; P23-G25 PolarHBondContact O-N 3.25Å
26	H	26.4	Very low	27.1	Very low	158 Å²	158	133.6 Å²	133.6	73%	0.731	78%	0.784	S	S	*	*			trans	-124	70	-168.3	-73.8	-55	0	0	0	115.4	T24	T24-H26 VanDerWaalsContact C-N 3.31Å; T24-H26 PolarHBondContact O-N 3.16Å
27	L	27.2	Very low	27	Very low	155 Å²	155	133.5 Å²	133.5	81%	0.812	78%	0.781	S	S	*	*	S	Bend	trans	-154.7	26.6	153.1	-121.2	162.9	0	0	0	115.7
28	L	26.6	Very low	27.1	Very low	174 Å²	174	137.7 Å²	137.7	91%	0.911	78%	0.779	S	S	*	*	S	Bend	trans	-112.4	11.5	171.1	-87.2	168.9	0	0	0	114
29	T	26	Very low	27.3	Very low	109 Å²	109	136 Å²	136	67%	0.669	76%	0.764	S	S	*	*	S	Bend	trans	-92	4.8	180	37	0	0	0	0	114.6
30	A	25.9	Very low	27.3	Very low	79 Å²	79	137.4 Å²	137.4	65%	0.653	77%	0.768	S	S	*	*	S	Bend	trans	-96.9	-1	-168.8	0	0	0	0	0	116.4
31	V	29.3	Very low	27.4	Very low	130 Å²	130	133.8 Å²	133.8	79%	0.788	75%	0.749	S	S	*	*	S	Bend	trans	-122.4	3.6	-169	-167.3	0	0	0	0	113.7
32	R	24.8	Very low	27.4	Very low	202 Å²	202	133.2 Å²	133.2	76%	0.762	74%	0.744	S	S	*	*	S	Bend	trans	-100	-1.4	-176.7	-129.9	174.8	-174	157.8	8.9	115.6	E12	E12-R32 IonicContact OE1-CZ 3.92Å; E12-R32 IonicContact OE1-NH2 3.73Å; E12-R32 PolarHBondContact OE1-NH2 3.3Å
33	N	27.5	Very low	27.6	Very low	158 Å²	158	128.4 Å²	128.4	85%	0.845	73%	0.727	S	S	*	*	S	Bend	trans	-121.4	15.3	-166.4	-74.7	8.1	0	0	0	116.3
34	S	27.1	Very low	27.9	Very low	94 Å²	94	127 Å²	127	66%	0.657	71%	0.712	S	S	*	*			trans	-131.9	126.7	173.2	53	0	0	0	0	112.5	E36	S34-E36 VanDerWaalsContact C-N 3.3Å; S34-E36 PolarHBondContact O-N 3.24Å; S34-E36 VanDerWaalsContact O-N 3.08Å
35	G	25.8	Very low	28.1	Very low	87 Å²	87	127.4 Å²	127.4	90%	0.897	71%	0.71	S	S	*	*			trans	-83.4	36.8	-166.5	0	0	0	0	0	116.5	K37	G35-K37 PolarHBondContact O-N 3.12Å
36	E	27.3	Very low	28.9	Very low	178 Å²	178	130.1 Å²	130.1	83%	0.832	70%	0.704	S	S	*	*			trans	-88.6	101.2	-173	-66	-159.4	148	0	0	114	S34 Q38	S34-E36 VanDerWaalsContact C-N 3.3Å; S34-E36 PolarHBondContact O-N 3.24Å; S34-E36 VanDerWaalsContact O-N 3.08Å; E36-Q38 PolarHBondContact O-N 3.03Å
37	K	25.5	Very low	29.8	Very low	196 Å²	196	124.6 Å²	124.6	85%	0.852	68%	0.679	S	S	*	*			trans	-71.4	98.4	162.9	-68.6	175.9	179.5	173	0	110.1	G35	G35-K37 PolarHBondContact O-N 3.12Å
38	Q	26.1	Very low	30.8	Very low	168 Å²	168	123 Å²	123	79%	0.785	67%	0.666	S	S	*	*			trans	-162.7	132	159.4	-112.5	148.1	97.6	0	0	116.9	E36	E36-Q38 PolarHBondContact O-N 3.03Å
39	L	29	Very low	32.1	Very low	116 Å²	116	119.1 Å²	119.1	61%	0.607	64%	0.639	S	S	*	*			trans	55.5	70.4	146.5	-63.4	168.1	0	0	0	119.5	G41	L39-G41 PolarHBondContact O-N 3.33Å
40	V	28.2	Very low	33.7	Very low	130 Å²	130	118.1 Å²	118.1	79%	0.788	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	2.2	164.2	-172	0	0	0	0	113.4	P43	V40-P43 WeakPolarHBondContact O-CD 3.37Å
41	G	29.7	Very low	35.1	Very low	40 Å²	40	114.5 Å²	114.5	41%	0.412	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-42.6	179.3	0	0	0	0	0	114.8	L39 P43 L44	L39-G41 PolarHBondContact O-N 3.33Å; G41-P43 VanDerWaalsContact C-N 3.34Å; G41-P43 WeakPolarHBondContact O-CD 3.46Å; G41-P43 VanDerWaalsContact O-N 3.12Å; G41-L44 PolarHBondContact O-N 3Å
42	K	28.8	Very low	36.6	Very low	148 Å²	148	109.5 Å²	109.5	64%	0.643	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-29	-171.3	-66.6	-178.3	177.6	177.8	0	116.5	L44 D45	K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.18Å; K42-D45 WeakPolarHBondContact CA-OD2 3.49Å
43	P	34.4	Very low	38.3	Very low	63 Å²	63	100 Å²	100	41%	0.409	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.8	176.1	-22.2	35.2	0	0	0	115.3	V40 G41	V40-P43 WeakPolarHBondContact O-CD 3.37Å; G41-P43 VanDerWaalsContact C-N 3.34Å; G41-P43 WeakPolarHBondContact O-CD 3.46Å; G41-P43 VanDerWaalsContact O-N 3.12Å
44	L	34.5	Very low	39.6	Very low	93 Å²	93	93.2 Å²	93.2	49%	0.487	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-21.3	-178.6	-72	168.8	0	0	0	113	G41 K42 K46 I47	G41-L44 PolarHBondContact O-N 3Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.18Å; L44-K46 PolarHBondContact O-N 3.3Å; L44-I47 HydrophobicContact CD2-CD1 3.75Å; L44-I47 WeakPolarHBondContact O-CG1 3.42Å; L44-I47 PolarHBondContact O-N 3.05Å
45	D	34.9	Very low	40.9	Very low	134 Å²	134	90.5 Å²	90.5	72%	0.717	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.9	175	-64	-38.2	0	0	0	113.3	K42 I47	K42-D45 WeakPolarHBondContact CA-OD2 3.49Å; D45-I47 VanDerWaalsContact C-N 3.35Å
46	K	42.4	Very low	42.2	Very low	120 Å²	120	90.6 Å²	90.6	52%	0.522	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.9	174.1	-62.4	-166.1	175.9	-169.4	0	114.6	L44 F48	L44-K46 PolarHBondContact O-N 3.3Å; K46-F48 WeakPolarHBondContact O-CD2 3.24Å; K46-F48 PolarHBondContact O-N 3.33Å
47	I	44.2	Very low	43.1	Very low	43 Å²	43	86 Å²	86	22%	0.221	44%	0.435	C	S	.	.			trans	-84.8	101.2	174.5	-58.7	-175.1	0	0	0	109.5	L44 D45 R49 L74	L44-I47 HydrophobicContact CD2-CD1 3.75Å; L44-I47 WeakPolarHBondContact O-CG1 3.42Å; L44-I47 PolarHBondContact O-N 3.05Å; D45-I47 VanDerWaalsContact C-N 3.35Å; I47-R49 WeakPolarHBondContact CG2-O 2.98Å; I47-R49 PolarHBondContact O-N 3.22Å; I47-L74 HydrophobicContact CD1-CD1 4.14Å; I47-L74 HydrophobicContact CG1-CD1 3.82Å
48	F	49.4	Very low	43.8	Very low	120 Å²	120	82.6 Å²	82.6	53%	0.526	43%	0.426	S	S	.	.			trans	-67.8	-37	-174.1	-69.6	-90.2	0	0	0	113.6	K46 L68 N70	K46-F48 WeakPolarHBondContact O-CD2 3.24Å; K46-F48 PolarHBondContact O-N 3.33Å; F48-L68 WeakPolarHBondContact CD2-O 3.47Å; F48-L68 PolarHBondContact N-O 3.42Å; F48-N70 WeakPolarHBondContact CE2-OD1 3.04Å; F48-N70 VanDerWaalsContact CZ-OD1 3.23Å; F48-N70 WeakPolarHBondContact CZ-OD1 3.43Å
49	R	54	Low	44.6	Very low	93 Å²	93	84.5 Å²	84.5	35%	0.351	43%	0.432	S	S	.	.			trans	-152.8	157	178.7	-66.7	-166.9	175.1	170.6	-1.7	110.6	I47 G67 L68 L221 S225	I47-R49 WeakPolarHBondContact CG2-O 2.98Å; I47-R49 PolarHBondContact O-N 3.22Å; R49-G67 WeakPolarHBondContact O-CA 3.47Å; R49-L68 PolarHBondContact O-N 2.81Å; R49-L221 VanDerWaalsContact CD-O 3.24Å; R49-L221 WeakPolarHBondContact CD-O 3.48Å; R49-L221 PolarHBondContact NH1-O 2.96Å; R49-S225 PolarHBondContact NH1-OG 3.35Å
50	F	58.5	Low	45.3	Very low	88 Å²	88	82.8 Å²	82.8	39%	0.386	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.1	-178.7	54	-93.3	0	0	0	113.5	I65 L66	F50-I65 HydrophobicContact CB-CG2 3.71Å; F50-L66 CarbonylContact C-O 3.54Å; F50-L66 WeakPolarHBondContact CA-O 3.19Å
51	G	56	Low	46.3	Very low	4 Å²	4	79.9 Å²	79.9	4%	0.041	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.4	168.9	0	0	0	0	0	111.2	I65 L66	G51-I65 CarbonylContact O-C 3.5Å; G51-I65 WeakPolarHBondContact O-CA 3.37Å; G51-L66 PolarHBondContact N-O 3.42Å; G51-L66 PolarHBondContact O-N 2.81Å
52	C	60.3	Low	47.4	Very low	25 Å²	25	80.1 Å²	80.1	17%	0.169	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138	-179.6	-60.5	0	0	0	0	110.9	C191 L195	C52-C191 HydrophobicContact CB-CB 4.24Å; C52-C191 PolarHBondContact O-N 2.96Å; C52-L195 HydrophobicContact CB-CD1 3.92Å
53	F	61.1	Low	48.7	Very low	2 Å²	2	76.3 Å²	76.3	1%	0.009	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165.7	-177.7	65.7	-101.6	0	0	0	113.7	V55 Y63 G64 I65 L66 F75 F188 Q189 C191	F53-V55 HydrophobicContact CD2-CG2 3.84Å; F53-V55 HydrophobicContact CE2-CG2 3.98Å; F53-Y63 WeakPolarHBondContact O-CA 3.29Å; F53-G64 WeakPolarHBondContact CD1-O 3.34Å; F53-G64 VanDerWaalsContact CZ-C 3.46Å; F53-G64 PolarHBondContact N-O 3.03Å; F53-G64 PolarHBondContact O-N 3.29Å; F53-G64 VanDerWaalsContact O-N 3.11Å; F53-I65 VanDerWaalsContact CE1-C 3.4Å; F53-I65 VanDerWaalsContact CE1-N 3.27Å; F53-L66 HydrophobicContact CD1-CB 4.19Å; F53-L66 HydrophobicContact CD1-CD1 3.9Å; F53-L66 HydrophobicContact CD1-CG 3.53Å; F53-L66 HydrophobicContact CE1-CB 4.37Å; F53-L66 HydrophobicContact CE1-CD2 4.44Å; F53-L66 HydrophobicContact CE1-CG 3.71Å; F53-F75 HydrophobicContact CD2-CE2 4.41Å; F53-F75 AromaticContact CE1-CD2 3.88Å; F53-F75 HydrophobicContact CE1-CD2 3.88Å; F53-F75 HydrophobicContact CE1-CE2 4.03Å; F53-F75 HydrophobicContact CE2-CD2 4.06Å; F53-F75 AromaticContact CE2-CE2 3.34Å; F53-F75 HydrophobicContact CE2-CE2 3.34Å; F53-F75 AromaticContact CE2-CZ 3.83Å; F53-F75 HydrophobicContact CE2-CZ 3.83Å; F53-F75 AromaticContact CZ-CD2 3.34Å; F53-F75 HydrophobicContact CZ-CD2 3.34Å; F53-F75 HydrophobicContact CZ-CE1 4.44Å; F53-F75 AromaticContact CZ-CE2 3.08Å; F53-F75 HydrophobicContact CZ-CE2 3.08Å; F53-F75 HydrophobicContact CZ-CG 4.15Å; F53-F75 AromaticContact CZ-CZ 3.7Å; F53-F75 HydrophobicContact CZ-CZ 3.7Å; F53-F188 HydrophobicContact CB-CB 4.12Å; F53-F188 HydrophobicContact CB-CD1 4.19Å; F53-F188 HydrophobicContact CD1-CD1 4.24Å; F53-F188 HydrophobicContact CD2-CD1 4.07Å; F53-F188 AromaticContact CG-CD1 3.91Å; F53-F188 HydrophobicContact CG-CD1 3.91Å; F53-Q189 CarbonylContact C-O 3.6Å; F53-Q189 VanDerWaalsContact CA-O 3.29Å; F53-Q189 WeakPolarHBondContact CA-O 3.49Å; F53-C191 VanDerWaalsContact C-SG 3.51Å
54	E	54.6	Low	50	Low	16 Å²	16	73.4 Å²	73.4	8%	0.075	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.9	169.3	173.9	171.2	-122.2	0	0	107.9	V56 L62 Y63 Q189 C191	E54-V56 HydrophobicContact CG-CG2 3.99Å; E54-L62 WeakPolarHBondContact CA-O 3.46Å; E54-Y63 HydrophobicContact CB-CD1 4.13Å; E54-Y63 HydrophobicContact CB-CE1 3.96Å; E54-Y63 HydrophobicContact CG-CD1 4.41Å; E54-Y63 HydrophobicContact CG-CE1 3.85Å; E54-Y63 WeakPolarHBondContact OE1-CE1 3.25Å; E54-Y63 VanDerWaalsContact OE1-CZ 3.3Å; E54-Y63 PolarHBondContact OE1-OH 2.77Å; E54-Q189 HydrophobicContact CB-CB 4.32Å; E54-Q189 PolarHBondContact N-O 3.25Å; E54-Q189 VanDerWaalsContact O-CB 3.3Å; E54-Q189 WeakPolarHBondContact O-CB 3.46Å; E54-Q189 PolarHBondContact O-N 3.44Å; E54-Q189 PolarHBondContact OE2-NE2 3.17Å; E54-C191 WeakPolarHBondContact CB-SG 3.22Å
55	V	55	Low	51.3	Low	36 Å²	36	70.9 Å²	70.9	22%	0.218	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.7	172.7	173.6	0	0	0	0	107.5	F53 T61 L62 F75 F188	F53-V55 HydrophobicContact CD2-CG2 3.84Å; F53-V55 HydrophobicContact CE2-CG2 3.98Å; V55-T61 CarbonylContact O-C 3.48Å; V55-T61 WeakPolarHBondContact O-CA 3.3Å; V55-L62 HydrophobicContact CB-CB 4.44Å; V55-L62 PolarHBondContact N-O 3.45Å; V55-L62 PolarHBondContact O-N 3.11Å; V55-F75 HydrophobicContact CG2-CE2 4.41Å; V55-F188 HydrophobicContact CG2-CD1 4Å; V55-F188 HydrophobicContact CG2-CE1 4.38Å
56	V	53.4	Low	52.8	Low	90 Å²	90	64.7 Å²	64.7	55%	0.545	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110.7	-176.7	-170.8	0	0	0	0	109.2	E54 L60 T61	E54-V56 HydrophobicContact CG-CG2 3.99Å; V56-L60 WeakPolarHBondContact CA-O 3.1Å; V56-T61 HydrophobicContact CG1-CG2 4.38Å; V56-T61 HydrophobicContact CG2-CG2 4.31Å
57	H	45.4	Very low	54	Low	81 Å²	81	59 Å²	59	38%	0.375	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.5	178.8	-172.7	7.7	0	0	0	110	K59 L60	H57-K59 VanDerWaalsContact C-N 3.32Å; H57-K59 PolarHBondContact O-N 3.37Å; H57-L60 PolarHBondContact N-O 2.88Å; H57-L60 WeakPolarHBondContact O-CB 3.44Å; H57-L60 PolarHBondContact O-N 2.99Å
58	N	40.8	Very low	55	Low	124 Å²	124	57 Å²	57	66%	0.663	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	47.2	174	-64.4	7	0	0	0	114.2	L60	N58-L60 PolarHBondContact O-N 2.84Å
59	K	42.9	Very low	55.7	Low	208 Å²	208	52.1 Å²	52.1	90%	0.904	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-2.5	-175.7	-50.4	178.5	-178.9	177.7	0	116.1	H57	H57-K59 VanDerWaalsContact C-N 3.32Å; H57-K59 PolarHBondContact O-N 3.37Å
60	L	42.1	Very low	56.1	Low	80 Å²	80	49.5 Å²	49.5	42%	0.419	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.3	170.8	-64.6	165.6	0	0	0	110	V56 H57 N58 L95	V56-L60 WeakPolarHBondContact CA-O 3.1Å; H57-L60 PolarHBondContact N-O 2.88Å; H57-L60 WeakPolarHBondContact O-CB 3.44Å; H57-L60 PolarHBondContact O-N 2.99Å; N58-L60 PolarHBondContact O-N 2.84Å; L60-L95 HydrophobicContact CD1-CB 4.46Å; L60-L95 HydrophobicContact CD1-CD1 4.41Å; L60-L95 HydrophobicContact CD1-CD2 4.2Å; L60-L95 HydrophobicContact CD2-CD1 4.46Å
61	T	51.1	Low	56.4	Low	70 Å²	70	47.3 Å²	47.3	43%	0.429	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106.6	174.9	52.8	0	0	0	0	109.1	V55 V56	V55-T61 CarbonylContact O-C 3.48Å; V55-T61 WeakPolarHBondContact O-CA 3.3Å; V56-T61 HydrophobicContact CG1-CG2 4.38Å; V56-T61 HydrophobicContact CG2-CG2 4.31Å
62	L	52.6	Low	56.7	Low	45 Å²	45	47.5 Å²	47.5	24%	0.236	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.6	175	-67.2	178.3	0	0	0	109.8	E54 V55 L96	E54-L62 WeakPolarHBondContact CA-O 3.46Å; V55-L62 HydrophobicContact CB-CB 4.44Å; V55-L62 PolarHBondContact N-O 3.45Å; V55-L62 PolarHBondContact O-N 3.11Å; L62-L96 HydrophobicContact CD1-CD2 3.94Å; L62-L96 HydrophobicContact CD2-CD2 3.75Å; L62-L96 HydrophobicContact CD2-CG 4.35Å
63	Y	55.6	Low	57.1	Low	67 Å²	67	46.4 Å²	46.4	26%	0.263	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	154.1	168.6	-63.8	-66.5	0	0	0	110.4	F53 E54 C78 L195	F53-Y63 WeakPolarHBondContact O-CA 3.29Å; E54-Y63 HydrophobicContact CB-CD1 4.13Å; E54-Y63 HydrophobicContact CB-CE1 3.96Å; E54-Y63 HydrophobicContact CG-CD1 4.41Å; E54-Y63 HydrophobicContact CG-CE1 3.85Å; E54-Y63 WeakPolarHBondContact OE1-CE1 3.25Å; E54-Y63 VanDerWaalsContact OE1-CZ 3.3Å; E54-Y63 PolarHBondContact OE1-OH 2.77Å; Y63-C78 PolarHBondContact O-N 3.37Å; Y63-L195 HydrophobicContact CD1-CD2 4.36Å; Y63-L195 HydrophobicContact CG-CD2 4.3Å
64	G	62.3	Low	57.2	Low	2 Å²	2	46.8 Å²	46.8	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	-178.5	171.9	0	0	0	0	0	115.4	F53 V76	F53-G64 WeakPolarHBondContact CD1-O 3.34Å; F53-G64 VanDerWaalsContact CZ-C 3.46Å; F53-G64 PolarHBondContact N-O 3.03Å; F53-G64 PolarHBondContact O-N 3.29Å; F53-G64 VanDerWaalsContact O-N 3.11Å; G64-V76 CarbonylContact C-O 3.6Å; G64-V76 WeakPolarHBondContact CA-O 3.45Å
65	I	61.7	Low	57.6	Low	40 Å²	40	47.7 Å²	47.7	21%	0.205	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.4	-175.7	-59.2	171.1	0	0	0	109.3	F50 G51 F53 V76	F50-I65 HydrophobicContact CB-CG2 3.71Å; G51-I65 CarbonylContact O-C 3.5Å; G51-I65 WeakPolarHBondContact O-CA 3.37Å; F53-I65 VanDerWaalsContact CE1-C 3.4Å; F53-I65 VanDerWaalsContact CE1-N 3.27Å; I65-V76 HydrophobicContact CB-CB 4.49Å; I65-V76 PolarHBondContact N-O 2.8Å; I65-V76 PolarHBondContact O-N 3.41Å
66	L	66.8	Low	57.7	Low	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.9	169.4	-83.5	163.6	0	0	0	108.4	F50 G51 F53 V73 L74 L176 F188 F222	F50-L66 CarbonylContact C-O 3.54Å; F50-L66 WeakPolarHBondContact CA-O 3.19Å; G51-L66 PolarHBondContact N-O 3.42Å; G51-L66 PolarHBondContact O-N 2.81Å; F53-L66 HydrophobicContact CD1-CB 4.19Å; F53-L66 HydrophobicContact CD1-CD1 3.9Å; F53-L66 HydrophobicContact CD1-CG 3.53Å; F53-L66 HydrophobicContact CE1-CB 4.37Å; F53-L66 HydrophobicContact CE1-CD2 4.44Å; F53-L66 HydrophobicContact CE1-CG 3.71Å; L66-V73 HydrophobicContact CD2-CG1 3.52Å; L66-L74 CarbonylContact C-O 3.58Å; L66-L74 VanDerWaalsContact CA-O 3.31Å; L66-L74 WeakPolarHBondContact CA-O 3.25Å; L66-L176 HydrophobicContact CD1-CD2 4.42Å; L66-F188 HydrophobicContact CD1-CD1 4.09Å; L66-F188 HydrophobicContact CD1-CD2 4.15Å; L66-F188 HydrophobicContact CD1-CE1 4.31Å; L66-F188 HydrophobicContact CD1-CE2 4.35Å; L66-F188 HydrophobicContact CD1-CG 4.01Å; L66-F188 HydrophobicContact CD1-CZ 4.43Å; L66-F188 HydrophobicContact CD2-CE1 4.18Å; L66-F188 HydrophobicContact CD2-CE2 4.44Å; L66-F188 HydrophobicContact CD2-CZ 4.01Å; L66-F188 HydrophobicContact CG-CE1 4.46Å; L66-F222 HydrophobicContact CB-CE1 4.37Å; L66-F222 HydrophobicContact CB-CE2 4.07Å; L66-F222 HydrophobicContact CB-CZ 3.74Å; L66-F222 HydrophobicContact CD1-CE1 4.43Å; L66-F222 HydrophobicContact CD1-CZ 4.4Å; L66-F222 WeakPolarHBondContact O-CE2 3.38Å
67	G	65.7	Low	57.9	Low	1 Å²	1	44.9 Å²	44.9	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.5	173.7	0	0	0	0	0	112.1	R49 L74	R49-G67 WeakPolarHBondContact O-CA 3.47Å; G67-L74 PolarHBondContact N-O 3.05Å; G67-L74 PolarHBondContact O-N 3.08Å
68	L	66.7	Low	58.2	Low	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.3	174.5	-166.8	72.6	0	0	0	111.2	F48 R49 V73 L121 F222 S225 L226	F48-L68 WeakPolarHBondContact CD2-O 3.47Å; F48-L68 PolarHBondContact N-O 3.42Å; R49-L68 PolarHBondContact O-N 2.81Å; L68-V73 HydrophobicContact CD1-CG2 4.35Å; L68-L121 HydrophobicContact CD1-CD2 4.35Å; L68-F222 HydrophobicContact CB-CD2 4.27Å; L68-F222 HydrophobicContact CB-CE2 4.02Å; L68-S225 VanDerWaalsContact CD2-CB 3.47Å; L68-L226 HydrophobicContact CD1-CB 4.35Å; L68-L226 HydrophobicContact CD1-CD1 3.8Å
69	S	64.4	Low	58.6	Low	17 Å²	17	41.9 Å²	41.9	12%	0.119	21%	0.213	C	C	.	.			trans	-89.5	177.9	170.8	108.3	0	0	0	0	110.5	W71 E72 R229	S69-W71 VanDerWaalsContact C-N 3.28Å; S69-W71 PolarHBondContact O-N 3.08Å; S69-W71 PolarHBondContact OG-N 2.72Å; S69-E72 WeakPolarHBondContact CB-O 3.48Å; S69-E72 PolarHBondContact N-O 3.28Å; S69-E72 WeakPolarHBondContact OG-CB 3.49Å; S69-E72 PolarHBondContact OG-N 3.13Å; S69-E72 PolarHBondContact OG-O 2.94Å; S69-R229 VanDerWaalsContact C-NH1 3.34Å; S69-R229 PolarHBondContact O-NH1 3.25Å
70	N	60.6	Low	58.8	Low	38 Å²	38	34.7 Å²	34.7	20%	0.203	18%	0.184	C	C	.	.	S	Bend	trans	-59.9	-38.3	175.5	-83	-4.6	0	0	0	112.8	F48 R229 H248	F48-N70 WeakPolarHBondContact CE2-OD1 3.04Å; F48-N70 VanDerWaalsContact CZ-OD1 3.23Å; F48-N70 WeakPolarHBondContact CZ-OD1 3.43Å; N70-R229 PolarHBondContact OD1-NH2 3.29Å; N70-H248 PolarHBondContact ND2-CD2 2.94Å; N70-H248 PolarHBondContact ND2-NE2 2.84Å
71	W	65.1	Low	58.7	Low	43 Å²	43	37.4 Å²	37.4	16%	0.163	20%	0.198	C	C	.	.	S	Bend	trans	-124.9	-3.7	-169.4	-65.7	103.1	0	0	0	113.7	S69 I112 L121 I233 L241 E244 Y245	S69-W71 VanDerWaalsContact C-N 3.28Å; S69-W71 PolarHBondContact O-N 3.08Å; S69-W71 PolarHBondContact OG-N 2.72Å; W71-I112 HydrophobicContact CB-CG2 3.89Å; W71-L121 WeakPolarHBondContact O-CB 3.27Å; W71-L121 WeakPolarHBondContact O-CG 3.16Å; W71-L121 PolarHBondContact O-N 2.91Å; W71-I233 HydrophobicContact CE3-CD1 4.14Å; W71-I233 HydrophobicContact CZ3-CD1 4.23Å; W71-I233 HydrophobicContact CZ3-CG1 4.16Å; W71-L241 HydrophobicContact CH2-CB 3.82Å; W71-L241 HydrophobicContact CH2-CD2 3.54Å; W71-L241 HydrophobicContact CH2-CG 4.2Å; W71-L241 HydrophobicContact CZ3-CB 4.19Å; W71-L241 HydrophobicContact CZ3-CD1 4.43Å; W71-L241 HydrophobicContact CZ3-CD2 3.75Å; W71-L241 HydrophobicContact CZ3-CG 4.34Å; W71-E244 HydrophobicContact CZ2-CB 4.17Å; W71-Y245 AromaticContact CD1-CD2 3.98Å; W71-Y245 HydrophobicContact CD2-CD2 4.27Å; W71-Y245 AromaticContact CE2-CD2 3.82Å; W71-Y245 HydrophobicContact CG-CD2 4.39Å; W71-Y245 HydrophobicContact CZ2-CD2 4.23Å; W71-Y245 AromaticContact NE1-CD2 3.63Å
72	E	63.4	Low	58.3	Low	8 Å²	8	36.8 Å²	36.8	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.7	-170.8	-51.9	169.2	120.6	0	0	112.6	S69 S110 I112 S113 C118 I119	S69-E72 WeakPolarHBondContact CB-O 3.48Å; S69-E72 PolarHBondContact N-O 3.28Å; S69-E72 WeakPolarHBondContact OG-CB 3.49Å; S69-E72 PolarHBondContact OG-N 3.13Å; S69-E72 PolarHBondContact OG-O 2.94Å; E72-S110 WeakPolarHBondContact OE1-CB 3.45Å; E72-S110 PolarHBondContact OE1-OG 3.23Å; E72-I112 HydrophobicContact CG-CG2 4.3Å; E72-S113 VanDerWaalsContact CD-CB 3.47Å; E72-S113 VanDerWaalsContact CD-OG 3.29Å; E72-S113 WeakPolarHBondContact OE1-CB 3.32Å; E72-S113 PolarHBondContact OE1-OG 3.13Å; E72-S113 WeakPolarHBondContact OE2-CB 3.35Å; E72-S113 PolarHBondContact OE2-OG 3.41Å; E72-C118 WeakPolarHBondContact OE1-CB 3.41Å; E72-I119 CarbonylContact C-O 3.57Å; E72-I119 VanDerWaalsContact CA-O 3.27Å; E72-I119 WeakPolarHBondContact CA-O 3.39Å
73	V	67.4	Low	58	Low	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.6	162.3	-168.9	0	0	0	0	108.2	L66 L68 C118 I119 L121 I124 F222 L226	L66-V73 HydrophobicContact CD2-CG1 3.52Å; L68-V73 HydrophobicContact CD1-CG2 4.35Å; V73-C118 CarbonylContact O-C 3.58Å; V73-C118 WeakPolarHBondContact O-CA 3.39Å; V73-I119 HydrophobicContact CB-CB 4.35Å; V73-I119 PolarHBondContact N-O 3.29Å; V73-I119 PolarHBondContact O-N 3.46Å; V73-L121 HydrophobicContact CG2-CD2 3.64Å; V73-I124 HydrophobicContact CG2-CD1 4.14Å; V73-F222 HydrophobicContact CG1-CZ 4.27Å; V73-L226 HydrophobicContact CG2-CD1 3.66Å
74	L	63.2	Low	57.4	Low	11 Å²	11	40.6 Å²	40.6	6%	0.058	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.2	-178	-54.1	172	0	0	0	109.8	I47 L66 G67 C118	I47-L74 HydrophobicContact CD1-CD1 4.14Å; I47-L74 HydrophobicContact CG1-CD1 3.82Å; L66-L74 CarbonylContact C-O 3.58Å; L66-L74 VanDerWaalsContact CA-O 3.31Å; L66-L74 WeakPolarHBondContact CA-O 3.25Å; G67-L74 PolarHBondContact N-O 3.05Å; G67-L74 PolarHBondContact O-N 3.08Å; L74-C118 HydrophobicContact CD2-CB 4.41Å; L74-C118 WeakPolarHBondContact CD2-SG 3.22Å
75	F	64.4	Low	56.7	Low	35 Å²	35	45.8 Å²	45.8	15%	0.154	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.3	175.8	176.6	-84.9	0	0	0	109.9	F53 V55 P77 L100 F107 G117 F188	F53-F75 HydrophobicContact CD2-CE2 4.41Å; F53-F75 AromaticContact CE1-CD2 3.88Å; F53-F75 HydrophobicContact CE1-CD2 3.88Å; F53-F75 HydrophobicContact CE1-CE2 4.03Å; F53-F75 HydrophobicContact CE2-CD2 4.06Å; F53-F75 AromaticContact CE2-CE2 3.34Å; F53-F75 HydrophobicContact CE2-CE2 3.34Å; F53-F75 AromaticContact CE2-CZ 3.83Å; F53-F75 HydrophobicContact CE2-CZ 3.83Å; F53-F75 AromaticContact CZ-CD2 3.34Å; F53-F75 HydrophobicContact CZ-CD2 3.34Å; F53-F75 HydrophobicContact CZ-CE1 4.44Å; F53-F75 AromaticContact CZ-CE2 3.08Å; F53-F75 HydrophobicContact CZ-CE2 3.08Å; F53-F75 HydrophobicContact CZ-CG 4.15Å; F53-F75 AromaticContact CZ-CZ 3.7Å; F53-F75 HydrophobicContact CZ-CZ 3.7Å; V55-F75 HydrophobicContact CG2-CE2 4.41Å; F75-P77 HydrophobicContact CE1-CB 4.05Å; F75-P77 HydrophobicContact CE1-CG 4.22Å; F75-L100 HydrophobicContact CE1-CD2 4.28Å; F75-F107 HydrophobicContact CD1-CZ 4.37Å; F75-G117 PolarHBondContact N-O 3.14Å; F75-F188 AromaticContact CD2-CE1 3.86Å; F75-F188 HydrophobicContact CD2-CE1 3.86Å; F75-F188 HydrophobicContact CD2-CZ 4.49Å; F75-F188 AromaticContact CE2-CE1 3.93Å; F75-F188 HydrophobicContact CE2-CE1 3.93Å
76	V	57.3	Low	56	Low	36 Å²	36	54.8 Å²	54.8	22%	0.218	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.1	177.2	-178.2	0	0	0	0	109.6	C7 G64 I65	C7-V76 HydrophobicContact CB-CG1 4.41Å; G64-V76 CarbonylContact C-O 3.6Å; G64-V76 WeakPolarHBondContact CA-O 3.45Å; I65-V76 HydrophobicContact CB-CB 4.49Å; I65-V76 PolarHBondContact N-O 2.8Å; I65-V76 PolarHBondContact O-N 3.41Å
77	P	56.2	Low	55	Low	31 Å²	31	62.7 Å²	62.7	20%	0.201	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.4	175.9	29.3	-32.6	0	0	0	111.1	F75 L96	F75-P77 HydrophobicContact CE1-CB 4.05Å; F75-P77 HydrophobicContact CE1-CG 4.22Å; P77-L96 HydrophobicContact CB-CD2 4.44Å
78	C	53	Low	54.3	Low	45 Å²	45	66.9 Å²	66.9	30%	0.304	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.9	-180	-65.7	0	0	0	0	110.7	Y63	Y63-C78 PolarHBondContact O-N 3.37Å
79	I	49.1	Very low	53.3	Low	96 Å²	96	69.4 Å²	69.4	49%	0.492	35%	0.354	S	S	.	.			trans	-94.7	129.3	178.2	-56.1	177.1	0	0	0	109.5	L81 I84 L96	I79-L81 PolarHBondContact O-N 3.31Å; I79-I84 HydrophobicContact CG2-CD1 3.39Å; I79-L96 HydrophobicContact CD1-CD1 3.6Å; I79-L96 HydrophobicContact CG1-CD1 4.02Å
80	N	47.2	Very low	52.5	Low	58 Å²	58	72.9 Å²	72.9	31%	0.31	37%	0.371	S	S	.	.			trans	-80	103.2	176.4	-172.1	2.4	0	0	0	111.5	G82 Q83	N80-G82 PolarHBondContact O-N 3.4Å; N80-G82 VanDerWaalsContact O-N 3.07Å; N80-G82 PolarHBondContact OD1-N 2.96Å; N80-Q83 PolarHBondContact ND2-OE1 3.2Å; N80-Q83 PolarHBondContact O-N 2.91Å
81	L	38.5	Very low	51.9	Low	136 Å²	136	73.3 Å²	73.3	71%	0.712	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.5	175.5	-77.2	164.3	0	0	0	114.3	C6 I79	C6-L81 HydrophobicContact CB-CD1 4.48Å; I79-L81 PolarHBondContact O-N 3.31Å
82	G	43.1	Very low	50.9	Low	58 Å²	58	73.3 Å²	73.3	60%	0.598	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	5	-179.5	0	0	0	0	0	116.1	N80	N80-G82 PolarHBondContact O-N 3.4Å; N80-G82 VanDerWaalsContact O-N 3.07Å; N80-G82 PolarHBondContact OD1-N 2.96Å
83	Q	46.7	Very low	50.1	Low	146 Å²	146	79.2 Å²	79.2	68%	0.682	41%	0.407	S	S	*	.	S	Bend	trans	-134	8	-171.4	-69.9	-173.1	-88.3	0	0	115.4	N80	N80-Q83 PolarHBondContact ND2-OE1 3.2Å; N80-Q83 PolarHBondContact O-N 2.91Å
84	I	43.3	Very low	49.2	Very low	46 Å²	46	85.3 Å²	85.3	24%	0.236	44%	0.435	C	S	.	.			trans	-134.3	118.1	-167.8	-51.5	178.3	0	0	0	110.5	I79 E88 I89 T92	I79-I84 HydrophobicContact CG2-CD1 3.39Å; I84-E88 HydrophobicContact CG2-CB 3.62Å; I84-I89 HydrophobicContact CG2-CB 4.45Å; I84-I89 HydrophobicContact CG2-CG1 3.72Å; I84-T92 HydrophobicContact CD1-CG2 4.31Å; I84-T92 HydrophobicContact CG2-CG2 4.44Å
85	N	46.1	Very low	48.3	Very low	111 Å²	111	88.2 Å²	88.2	59%	0.594	45%	0.451	S	S	*	.			trans	-66.7	154.2	170.5	-74.9	-57.2	0	0	0	111.3	E87 E88 I89	N85-E87 PolarHBondContact O-N 3.44Å; N85-E88 HydrophobicContact CB-CB 4.42Å; N85-E88 HydrophobicContact CB-CG 4.11Å; N85-E88 VanDerWaalsContact CB-OE2 3.31Å; N85-E88 WeakPolarHBondContact CB-OE2 3.27Å; N85-E88 PolarHBondContact N-OE2 3.04Å; N85-E88 PolarHBondContact ND2-OE2 3.29Å; N85-E88 CarbonylContact O-C 3.46Å; N85-E88 WeakPolarHBondContact O-CA 3.43Å; N85-E88 WeakPolarHBondContact O-CB 3.31Å; N85-E88 PolarHBondContact O-N 2.9Å; N85-I89 PolarHBondContact O-N 3.34Å
86	R	47.2	Very low	47.5	Very low	228 Å²	228	87.2 Å²	87.2	86%	0.86	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.5	-177.7	-91	-176.4	170.8	-179.8	-2.3	114.5	I89	R86-I89 HydrophobicContact CG-CD1 4.43Å
87	E	47	Very low	47	Very low	171 Å²	171	88.2 Å²	88.2	80%	0.799	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-42	177.1	-65.6	166.9	179.9	0	0	111.2	N85 I89 N90	N85-E87 PolarHBondContact O-N 3.44Å; E87-I89 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 VanDerWaalsContact O-N 3.11Å
88	E	49.7	Very low	46.5	Very low	88 Å²	88	91 Å²	91	41%	0.411	47%	0.466	S	S	.	.	H	α-helix	trans	-63.8	-20.8	173.6	-62.4	172.5	143.9	0	0	112.8	I84 N85 N90 A91 T92	I84-E88 HydrophobicContact CG2-CB 3.62Å; N85-E88 HydrophobicContact CB-CB 4.42Å; N85-E88 HydrophobicContact CB-CG 4.11Å; N85-E88 VanDerWaalsContact CB-OE2 3.31Å; N85-E88 WeakPolarHBondContact CB-OE2 3.27Å; N85-E88 PolarHBondContact N-OE2 3.04Å; N85-E88 PolarHBondContact ND2-OE2 3.29Å; N85-E88 CarbonylContact O-C 3.46Å; N85-E88 WeakPolarHBondContact O-CA 3.43Å; N85-E88 WeakPolarHBondContact O-CB 3.31Å; N85-E88 PolarHBondContact O-N 2.9Å; E88-N90 PolarHBondContact O-N 3.08Å; E88-A91 PolarHBondContact O-N 2.77Å; E88-T92 WeakPolarHBondContact O-CB 3.27Å; E88-T92 WeakPolarHBondContact O-CG2 3.47Å; E88-T92 PolarHBondContact O-N 3.08Å; E88-T92 PolarHBondContact O-OG1 2.84Å
89	I	47.2	Very low	46	Very low	54 Å²	54	89.8 Å²	89.8	28%	0.277	46%	0.459	S	S	.	.	H	α-helix	trans	-58.9	-37.6	172.5	-64.6	177.2	0	0	0	110.6	I84 N85 R86 E87 T92 R93	I84-I89 HydrophobicContact CG2-CB 4.45Å; I84-I89 HydrophobicContact CG2-CG1 3.72Å; N85-I89 PolarHBondContact O-N 3.34Å; R86-I89 HydrophobicContact CG-CD1 4.43Å; E87-I89 PolarHBondContact O-N 3.45Å; I89-T92 WeakPolarHBondContact CA-OG1 3.18Å; I89-T92 PolarHBondContact O-OG1 3.21Å; I89-R93 HydrophobicContact CG2-CG 4.5Å; I89-R93 VanDerWaalsContact O-CB 3.3Å; I89-R93 WeakPolarHBondContact O-CB 3.28Å; I89-R93 WeakPolarHBondContact O-CD 3.44Å; I89-R93 WeakPolarHBondContact O-CG 3.34Å; I89-R93 PolarHBondContact O-N 3.49Å
90	N	46.3	Very low	45.9	Very low	90 Å²	90	86 Å²	86	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-78.1	-36.1	179.1	-71.9	-16.4	0	0	0	111.8	E87 E88 R93 Q94	E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 VanDerWaalsContact O-N 3.11Å; E88-N90 PolarHBondContact O-N 3.08Å; N90-R93 PolarHBondContact O-N 3.04Å; N90-R93 PolarHBondContact OD1-NH1 3.23Å; N90-Q94 WeakPolarHBondContact O-CB 3.47Å; N90-Q94 WeakPolarHBondContact O-CG 3.5Å; N90-Q94 PolarHBondContact O-N 3.22Å
91	A	48.1	Very low	45.6	Very low	48 Å²	48	89.2 Å²	89.2	40%	0.397	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-40.8	171.9	0	0	0	0	0	112.4	E88 Q94 L95	E88-A91 PolarHBondContact O-N 2.77Å; A91-Q94 PolarHBondContact O-N 3.36Å; A91-L95 WeakPolarHBondContact O-CB 3.32Å; A91-L95 WeakPolarHBondContact O-CG 3.33Å; A91-L95 PolarHBondContact O-N 3.33Å
92	T	44.6	Very low	45.7	Very low	43 Å²	43	91.3 Å²	91.3	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-73.4	-31.2	176.3	51.4	0	0	0	0	112.8	I84 E88 I89 L96	I84-T92 HydrophobicContact CD1-CG2 4.31Å; I84-T92 HydrophobicContact CG2-CG2 4.44Å; E88-T92 WeakPolarHBondContact O-CB 3.27Å; E88-T92 WeakPolarHBondContact O-CG2 3.47Å; E88-T92 PolarHBondContact O-N 3.08Å; E88-T92 PolarHBondContact O-OG1 2.84Å; I89-T92 WeakPolarHBondContact CA-OG1 3.18Å; I89-T92 PolarHBondContact O-OG1 3.21Å; T92-L96 VanDerWaalsContact O-CB 3.29Å; T92-L96 WeakPolarHBondContact O-CB 3.44Å; T92-L96 PolarHBondContact O-N 2.81Å
93	R	46.5	Very low	45.5	Very low	131 Å²	131	92.3 Å²	92.3	49%	0.494	45%	0.446	S	S	.	.	H	α-helix	trans	-64.7	-43.1	165.9	-78.8	166.4	174.3	163.1	-6.5	112.3	I89 N90 L96 S97	I89-R93 HydrophobicContact CG2-CG 4.5Å; I89-R93 VanDerWaalsContact O-CB 3.3Å; I89-R93 WeakPolarHBondContact O-CB 3.28Å; I89-R93 WeakPolarHBondContact O-CD 3.44Å; I89-R93 WeakPolarHBondContact O-CG 3.34Å; I89-R93 PolarHBondContact O-N 3.49Å; N90-R93 PolarHBondContact O-N 3.04Å; N90-R93 PolarHBondContact OD1-NH1 3.23Å; R93-L96 PolarHBondContact O-N 2.92Å; R93-S97 VanDerWaalsContact O-CB 3.24Å; R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.32Å
94	Q	47.9	Very low	45.2	Very low	129 Å²	129	87 Å²	87	60%	0.603	42%	0.421	S	S	*	.	H	α-helix	trans	-65.5	-38.7	174.9	-77.8	179.9	-14.7	0	0	111.5	N90 A91 S97 Q98	N90-Q94 WeakPolarHBondContact O-CB 3.47Å; N90-Q94 WeakPolarHBondContact O-CG 3.5Å; N90-Q94 PolarHBondContact O-N 3.22Å; A91-Q94 PolarHBondContact O-N 3.36Å; Q94-S97 PolarHBondContact O-N 3.4Å; Q94-Q98 VanDerWaalsContact O-CB 3.25Å; Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 WeakPolarHBondContact O-CG 3.31Å; Q94-Q98 PolarHBondContact O-N 3.04Å
95	L	45.8	Very low	44.8	Very low	72 Å²	72	89.4 Å²	89.4	38%	0.377	44%	0.44	S	S	.	.	H	α-helix	trans	-70	-38.6	174.1	-77.7	171	0	0	0	113	L60 A91 Q98 A99	L60-L95 HydrophobicContact CD1-CB 4.46Å; L60-L95 HydrophobicContact CD1-CD1 4.41Å; L60-L95 HydrophobicContact CD1-CD2 4.2Å; L60-L95 HydrophobicContact CD2-CD1 4.46Å; A91-L95 WeakPolarHBondContact O-CB 3.32Å; A91-L95 WeakPolarHBondContact O-CG 3.33Å; A91-L95 PolarHBondContact O-N 3.33Å; L95-Q98 PolarHBondContact O-N 3.22Å; L95-A99 WeakPolarHBondContact O-CB 3.47Å; L95-A99 PolarHBondContact O-N 2.85Å
96	L	46.9	Very low	44.4	Very low	15 Å²	15	90.2 Å²	90.2	8%	0.079	44%	0.435	C	S	.	.	H	α-helix	trans	-62.5	-46.8	171.1	-90.8	161.9	0	0	0	110.7	L62 P77 I79 T92 R93 A99 L100	L62-L96 HydrophobicContact CD1-CD2 3.94Å; L62-L96 HydrophobicContact CD2-CD2 3.75Å; L62-L96 HydrophobicContact CD2-CG 4.35Å; P77-L96 HydrophobicContact CB-CD2 4.44Å; I79-L96 HydrophobicContact CD1-CD1 3.6Å; I79-L96 HydrophobicContact CG1-CD1 4.02Å; T92-L96 VanDerWaalsContact O-CB 3.29Å; T92-L96 WeakPolarHBondContact O-CB 3.44Å; T92-L96 PolarHBondContact O-N 2.81Å; R93-L96 PolarHBondContact O-N 2.92Å; L96-A99 PolarHBondContact O-N 3.35Å; L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 WeakPolarHBondContact O-CG 3.31Å; L96-L100 PolarHBondContact O-N 3.39Å
97	S	46.5	Very low	43.7	Very low	56 Å²	56	81.2 Å²	81.2	39%	0.392	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-52	174.3	178.2	0	0	0	0	110.8	R93 Q94 A99 L100 H101	R93-S97 VanDerWaalsContact O-CB 3.24Å; R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.32Å; Q94-S97 PolarHBondContact O-N 3.4Å; S97-A99 VanDerWaalsContact C-N 3.33Å; S97-A99 PolarHBondContact O-N 2.82Å; S97-L100 PolarHBondContact O-N 3.33Å; S97-H101 WeakPolarHBondContact O-CA 3.48Å; S97-H101 WeakPolarHBondContact O-CB 3.43Å; S97-H101 PolarHBondContact O-N 3.43Å
98	Q	45.7	Very low	43.1	Very low	89 Å²	89	81.2 Å²	81.2	42%	0.416	40%	0.396	S	S	.	.	H	α-helix	trans	-64.4	-31.3	178.8	-73.1	168.6	12.1	0	0	113.7	Q94 L95 R102	Q94-Q98 VanDerWaalsContact O-CB 3.25Å; Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 WeakPolarHBondContact O-CG 3.31Å; Q94-Q98 PolarHBondContact O-N 3.04Å; L95-Q98 PolarHBondContact O-N 3.22Å; Q98-R102 VanDerWaalsContact O-CB 3.25Å; Q98-R102 WeakPolarHBondContact O-CB 3.35Å; Q98-R102 WeakPolarHBondContact O-CD 3.42Å; Q98-R102 WeakPolarHBondContact O-CG 3.09Å; Q98-R102 PolarHBondContact O-N 3.03Å; Q98-R102 VanDerWaalsContact O-N 3.16Å
99	A	42.5	Very low	42.4	Very low	20 Å²	20	83.3 Å²	83.3	17%	0.165	41%	0.406	C	S	.	.	H	α-helix	trans	-72.5	-51	175.1	0	0	0	0	0	110.8	L95 L96 S97 H101 R102 T103	L95-A99 WeakPolarHBondContact O-CB 3.47Å; L95-A99 PolarHBondContact O-N 2.85Å; L96-A99 PolarHBondContact O-N 3.35Å; S97-A99 VanDerWaalsContact C-N 3.33Å; S97-A99 PolarHBondContact O-N 2.82Å; A99-H101 VanDerWaalsContact C-N 3.33Å; A99-H101 PolarHBondContact O-N 2.98Å; A99-R102 PolarHBondContact O-N 2.89Å; A99-R102 VanDerWaalsContact O-N 3.14Å; A99-T103 PolarHBondContact O-N 3.21Å; A99-T103 PolarHBondContact O-OG1 3.48Å
100	L	46.5	Very low	41.8	Very low	17 Å²	17	81.6 Å²	81.6	9%	0.089	40%	0.399	C	S	.	.	H	α-helix	trans	-65.8	-35.8	179.6	-62.9	173.4	0	0	0	111.9	F75 L96 S97 R102 T103 E104 F107	F75-L100 HydrophobicContact CE1-CD2 4.28Å; L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 WeakPolarHBondContact O-CG 3.31Å; L96-L100 PolarHBondContact O-N 3.39Å; S97-L100 PolarHBondContact O-N 3.33Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 2.69Å; L100-T103 WeakPolarHBondContact CA-OG1 3.36Å; L100-T103 PolarHBondContact O-N 2.85Å; L100-T103 PolarHBondContact O-OG1 3.44Å; L100-E104 PolarHBondContact O-N 2.83Å; L100-E104 VanDerWaalsContact O-O 3.12Å; L100-F107 HydrophobicContact CB-CD2 4.2Å; L100-F107 HydrophobicContact CB-CE2 4.4Å; L100-F107 HydrophobicContact CB-CG 4.32Å; L100-F107 HydrophobicContact CD1-CD1 4.42Å; L100-F107 HydrophobicContact CD1-CE1 3.99Å; L100-F107 HydrophobicContact CD1-CZ 4.12Å; L100-F107 HydrophobicContact CD2-CD2 4.37Å; L100-F107 HydrophobicContact CD2-CE1 4.47Å; L100-F107 HydrophobicContact CD2-CE2 3.74Å; L100-F107 HydrophobicContact CD2-CZ 3.79Å; L100-F107 HydrophobicContact CG-CE2 4.46Å; L100-F107 HydrophobicContact CG-CZ 4.4Å
101	H	41.7	Very low	41.3	Very low	125 Å²	125	84.6 Å²	84.6	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-74	-19	175.4	-167.4	-24.9	0	0	0	112.8	S97 A99 E104	S97-H101 WeakPolarHBondContact O-CA 3.48Å; S97-H101 WeakPolarHBondContact O-CB 3.43Å; S97-H101 PolarHBondContact O-N 3.43Å; A99-H101 VanDerWaalsContact C-N 3.33Å; A99-H101 PolarHBondContact O-N 2.98Å; H101-E104 WeakPolarHBondContact CA-O 2.81Å
102	R	39.6	Very low	40.6	Very low	180 Å²	180	86.1 Å²	86.1	68%	0.679	40%	0.404	S	S	*	.	H	α-helix	trans	-87.6	-26.2	170.1	-81.4	173.5	177.6	167.2	1.1	113.2	Q98 A99 L100	Q98-R102 VanDerWaalsContact O-CB 3.25Å; Q98-R102 WeakPolarHBondContact O-CB 3.35Å; Q98-R102 WeakPolarHBondContact O-CD 3.42Å; Q98-R102 WeakPolarHBondContact O-CG 3.09Å; Q98-R102 PolarHBondContact O-N 3.03Å; Q98-R102 VanDerWaalsContact O-N 3.16Å; A99-R102 PolarHBondContact O-N 2.89Å; A99-R102 VanDerWaalsContact O-N 3.14Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 2.69Å
103	T	40	Very low	40.2	Very low	80 Å²	80	85.5 Å²	85.5	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-83.2	-33.3	171.3	51.5	0	0	0	0	112.2	A99 L100	A99-T103 PolarHBondContact O-N 3.21Å; A99-T103 PolarHBondContact O-OG1 3.48Å; L100-T103 WeakPolarHBondContact CA-OG1 3.36Å; L100-T103 PolarHBondContact O-N 2.85Å; L100-T103 PolarHBondContact O-OG1 3.44Å
104	E	39.9	Very low	39.6	Very low	33 Å²	33	85.5 Å²	85.5	15%	0.154	41%	0.411	C	S	.	.			trans	-144.1	114.5	178.7	-65.9	174.1	-133.5	0	0	110.5	L100 H101 Y106 F107 Y186	L100-E104 PolarHBondContact O-N 2.83Å; L100-E104 VanDerWaalsContact O-O 3.12Å; H101-E104 WeakPolarHBondContact CA-O 2.81Å; E104-Y106 PolarHBondContact O-N 2.98Å; E104-Y106 VanDerWaalsContact O-N 3.08Å; E104-F107 HydrophobicContact CB-CB 4.14Å; E104-F107 HydrophobicContact CB-CD2 4.06Å; E104-F107 HydrophobicContact CG-CD2 4.14Å; E104-F107 WeakPolarHBondContact OE1-CD2 3.47Å; E104-F107 WeakPolarHBondContact OE1-CE2 3.31Å; E104-F107 WeakPolarHBondContact OE2-CA 3.47Å; E104-F107 VanDerWaalsContact OE2-CD2 3.29Å; E104-F107 WeakPolarHBondContact OE2-CD2 3.43Å; E104-Y186 PolarHBondContact OE1-OH 2.66Å
105	P	35.2	Very low	39.1	Very low	98 Å²	98	83.5 Å²	83.5	64%	0.636	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.6	162	-22.9	34.6	0	0	0	113
106	Y	37	Very low	38.9	Very low	127 Å²	127	83.5 Å²	83.5	50%	0.498	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	27.1	-167.5	-61.8	-50.5	0	0	0	115.1	E104 Y108 H109 D844	E104-Y106 PolarHBondContact O-N 2.98Å; E104-Y106 VanDerWaalsContact O-N 3.08Å; Y106-Y108 PolarHBondContact O-N 3.04Å; Y106-H109 PolarHBondContact O-N 3.13Å; Y106-H109 VanDerWaalsContact O-N 3.14Å; Y106-D844 WeakPolarHBondContact CE2-OD1 3.49Å; Y106-D844 VanDerWaalsContact CZ-OD1 3.23Å; Y106-D844 PolarHBondContact OH-OD1 3.07Å
107	F	33.8	Very low	39.1	Very low	39 Å²	39	83 Å²	83	17%	0.171	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	3.7	179.5	-151.6	-93.9	0	0	0	115.7	F75 L100 E104 P116	F75-F107 HydrophobicContact CD1-CZ 4.37Å; L100-F107 HydrophobicContact CB-CD2 4.2Å; L100-F107 HydrophobicContact CB-CE2 4.4Å; L100-F107 HydrophobicContact CB-CG 4.32Å; L100-F107 HydrophobicContact CD1-CD1 4.42Å; L100-F107 HydrophobicContact CD1-CE1 3.99Å; L100-F107 HydrophobicContact CD1-CZ 4.12Å; L100-F107 HydrophobicContact CD2-CD2 4.37Å; L100-F107 HydrophobicContact CD2-CE1 4.47Å; L100-F107 HydrophobicContact CD2-CE2 3.74Å; L100-F107 HydrophobicContact CD2-CZ 3.79Å; L100-F107 HydrophobicContact CG-CE2 4.46Å; L100-F107 HydrophobicContact CG-CZ 4.4Å; E104-F107 HydrophobicContact CB-CB 4.14Å; E104-F107 HydrophobicContact CB-CD2 4.06Å; E104-F107 HydrophobicContact CG-CD2 4.14Å; E104-F107 WeakPolarHBondContact OE1-CD2 3.47Å; E104-F107 WeakPolarHBondContact OE1-CE2 3.31Å; E104-F107 WeakPolarHBondContact OE2-CA 3.47Å; E104-F107 VanDerWaalsContact OE2-CD2 3.29Å; E104-F107 WeakPolarHBondContact OE2-CD2 3.43Å; F107-P116 HydrophobicContact CD1-CB 3.9Å; F107-P116 HydrophobicContact CE1-CB 3.99Å; F107-P116 WeakPolarHBondContact O-CA 3.25Å; F107-P116 VanDerWaalsContact O-CB 3.24Å; F107-P116 WeakPolarHBondContact O-CB 3.39Å
108	Y	34.7	Very low	39.6	Very low	171 Å²	171	81.3 Å²	81.3	67%	0.671	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-21.1	176.4	-89.1	-85.9	0	0	0	115.3	Y106	Y106-Y108 PolarHBondContact O-N 3.04Å
109	H	33.8	Very low	40.3	Very low	133 Å²	133	77.6 Å²	77.6	62%	0.616	37%	0.372	S	S	*	.			trans	-134.7	77.6	-163.7	-81.6	-2.4	0	0	0	116.4	Y106 W111	Y106-H109 PolarHBondContact O-N 3.13Å; Y106-H109 VanDerWaalsContact O-N 3.14Å; H109-W111 PolarHBondContact O-N 2.84Å
110	S	34	Very low	41.3	Very low	18 Å²	18	77 Å²	77	13%	0.126	37%	0.368	C	S	.	.			trans	-71.4	115.4	141.6	175.3	0	0	0	0	109.2	E72 I112 S113 N114	E72-S110 WeakPolarHBondContact OE1-CB 3.45Å; E72-S110 PolarHBondContact OE1-OG 3.23Å; S110-I112 PolarHBondContact O-N 3.23Å; S110-I112 VanDerWaalsContact O-N 3.08Å; S110-I112 PolarHBondContact OG-N 2.75Å; S110-S113 PolarHBondContact O-N 3.35Å; S110-N114 PolarHBondContact O-N 3.06Å
111	W	36.2	Very low	42.2	Very low	153 Å²	153	76.3 Å²	76.3	58%	0.58	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.7	179.2	-83.3	57.2	0	0	0	114.1	H109 K917	H109-W111 PolarHBondContact O-N 2.84Å; W111-K917 HydrophobicContact CE3-CG 4.49Å; W111-K917 HydrophobicContact CH2-CB 4.41Å; W111-K917 HydrophobicContact CH2-CD 4.11Å; W111-K917 HydrophobicContact CH2-CG 3.24Å; W111-K917 HydrophobicContact CZ2-CD 4.44Å; W111-K917 HydrophobicContact CZ2-CG 4Å; W111-K917 HydrophobicContact CZ3-CB 4.33Å; W111-K917 HydrophobicContact CZ3-CG 3.5Å
112	I	34.8	Very low	43.2	Very low	79 Å²	79	72.4 Å²	72.4	41%	0.405	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.9	-173.7	-66.7	174.7	0	0	0	112.3	W71 E72 S110 Y245	W71-I112 HydrophobicContact CB-CG2 3.89Å; E72-I112 HydrophobicContact CG-CG2 4.3Å; S110-I112 PolarHBondContact O-N 3.23Å; S110-I112 VanDerWaalsContact O-N 3.08Å; S110-I112 PolarHBondContact OG-N 2.75Å; I112-Y245 HydrophobicContact CG2-CE2 4.31Å
113	S	34.8	Very low	44.3	Very low	30 Å²	30	67.7 Å²	67.7	21%	0.21	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	-13.1	-171.1	64.6	0	0	0	0	118.1	E72 S110 R115	E72-S113 VanDerWaalsContact CD-CB 3.47Å; E72-S113 VanDerWaalsContact CD-OG 3.29Å; E72-S113 WeakPolarHBondContact OE1-CB 3.32Å; E72-S113 PolarHBondContact OE1-OG 3.13Å; E72-S113 WeakPolarHBondContact OE2-CB 3.35Å; E72-S113 PolarHBondContact OE2-OG 3.41Å; S110-S113 PolarHBondContact O-N 3.35Å; S113-R115 PolarHBondContact O-N 3.27Å; S113-R115 PolarHBondContact OG-N 2.66Å
114	N	33.8	Very low	45.6	Very low	131 Å²	131	63.9 Å²	63.9	70%	0.701	32%	0.319	S	S	*	.	S	Bend	trans	54.8	26.7	-168.4	-62	-5.3	0	0	0	113.7	S110	S110-N114 PolarHBondContact O-N 3.06Å
115	R	37	Very low	46.8	Very low	87 Å²	87	63.8 Å²	63.8	33%	0.328	32%	0.32	S	S	.	.			trans	-110.9	133.3	-179.9	-67.1	169.9	-174.5	-143.2	-6.8	110.6	S113 C118	S113-R115 PolarHBondContact O-N 3.27Å; S113-R115 PolarHBondContact OG-N 2.66Å; R115-C118 WeakPolarHBondContact CB-SG 3.34Å; R115-C118 PolarHBondContact O-SG 3.15Å; R115-C118 VanDerWaalsContact O-SG 3.41Å
116	P	41.6	Very low	48.5	Very low	72 Å²	72	63 Å²	63	47%	0.468	31%	0.305	S	S	.	.	S	Bend	trans	-68.8	149.4	171.9	29.8	-34.5	0	0	0	110.7	F107	F107-P116 HydrophobicContact CD1-CB 3.9Å; F107-P116 HydrophobicContact CE1-CB 3.99Å; F107-P116 WeakPolarHBondContact O-CA 3.25Å; F107-P116 VanDerWaalsContact O-CB 3.24Å; F107-P116 WeakPolarHBondContact O-CB 3.39Å
117	G	53	Low	50.4	Low	5 Å²	5	57 Å²	57	5%	0.052	28%	0.281	C	S	.	.	S	Bend	trans	68	50.1	179.6	0	0	0	0	0	114.3	F75	F75-G117 PolarHBondContact N-O 3.14Å
118	C	55.1	Low	52.5	Low	20 Å²	20	57.2 Å²	57.2	14%	0.135	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	108.9	-176.3	-64.7	0	0	0	0	111.9	E72 V73 L74 R115	E72-C118 WeakPolarHBondContact OE1-CB 3.41Å; V73-C118 CarbonylContact O-C 3.58Å; V73-C118 WeakPolarHBondContact O-CA 3.39Å; L74-C118 HydrophobicContact CD2-CB 4.41Å; L74-C118 WeakPolarHBondContact CD2-SG 3.22Å; R115-C118 WeakPolarHBondContact CB-SG 3.34Å; R115-C118 PolarHBondContact O-SG 3.15Å; R115-C118 VanDerWaalsContact O-SG 3.41Å
119	I	62.3	Low	54.5	Low	12 Å²	12	49.1 Å²	49.1	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.6	175.1	-53.5	171.4	0	0	0	108.4	E72 V73 L121 I124 I178 T180 Y186	E72-I119 CarbonylContact C-O 3.57Å; E72-I119 VanDerWaalsContact CA-O 3.27Å; E72-I119 WeakPolarHBondContact CA-O 3.39Å; V73-I119 HydrophobicContact CB-CB 4.35Å; V73-I119 PolarHBondContact N-O 3.29Å; V73-I119 PolarHBondContact O-N 3.46Å; I119-L121 PolarHBondContact O-N 3.06Å; I119-I124 HydrophobicContact CG2-CD1 4.42Å; I119-I124 HydrophobicContact CG2-CG1 4.12Å; I119-I178 HydrophobicContact CD1-CD1 4.26Å; I119-T180 HydrophobicContact CG2-CG2 4.17Å; I119-Y186 HydrophobicContact CD1-CD1 3.86Å; I119-Y186 HydrophobicContact CD1-CD2 3.75Å; I119-Y186 HydrophobicContact CD1-CE1 3.88Å; I119-Y186 HydrophobicContact CD1-CE2 3.78Å; I119-Y186 HydrophobicContact CD1-CG 3.79Å; I119-Y186 HydrophobicContact CG1-CE1 4.27Å; I119-Y186 HydrophobicContact CG1-CE2 4.21Å
120	G	63.5	Low	56.4	Low	8 Å²	8	44.1 Å²	44.1	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.5	174.3	0	0	0	0	0	111.5	G122 K123	G120-G122 PolarHBondContact O-N 3.18Å; G120-K123 WeakPolarHBondContact O-CB 3.37Å; G120-K123 PolarHBondContact O-N 2.98Å
121	L	65.2	Low	58.3	Low	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.1	-28.2	-175.8	-70.9	169.1	0	0	0	113	L68 W71 V73 I119 K123 I124 L226 R229 I230 I233	L68-L121 HydrophobicContact CD1-CD2 4.35Å; W71-L121 WeakPolarHBondContact O-CB 3.27Å; W71-L121 WeakPolarHBondContact O-CG 3.16Å; W71-L121 PolarHBondContact O-N 2.91Å; V73-L121 HydrophobicContact CG2-CD2 3.64Å; I119-L121 PolarHBondContact O-N 3.06Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 3.16Å; L121-I124 HydrophobicContact CD2-CD1 4.02Å; L121-I124 PolarHBondContact O-N 3.37Å; L121-L226 HydrophobicContact CD2-CD1 3.61Å; L121-R229 HydrophobicContact CD1-CB 3.91Å; L121-I230 HydrophobicContact CD2-CG1 4.08Å; L121-I233 HydrophobicContact CB-CD1 3.5Å; L121-I233 VanDerWaalsContact CB-CD1 3.5Å; L121-I233 HydrophobicContact CD1-CD1 3.94Å; L121-I233 HydrophobicContact CG-CD1 4.38Å
122	G	62.4	Low	59.7	Low	44 Å²	44	43.5 Å²	43.5	45%	0.454	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-68.2	-21.6	172.4	0	0	0	0	0	114.4	G120 I124	G120-G122 PolarHBondContact O-N 3.18Å; G122-I124 VanDerWaalsContact C-N 3.31Å
123	K	61.5	Low	61.3	Low	80 Å²	80	45.3 Å²	45.3	35%	0.348	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-76.1	-12.6	172.5	-73.2	-159.6	-179.4	-170.9	0	113.1	G120 L121 D125 T180 T181 D182	G120-K123 WeakPolarHBondContact O-CB 3.37Å; G120-K123 PolarHBondContact O-N 2.98Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 3.16Å; K123-D125 PolarHBondContact O-N 2.66Å; K123-T180 HydrophobicContact CB-CG2 4.43Å; K123-T180 CarbonylContact O-C 3.55Å; K123-T180 WeakPolarHBondContact O-CA 3.28Å; K123-T180 VanDerWaalsContact O-CB 3.32Å; K123-T180 WeakPolarHBondContact O-CB 3.45Å; K123-T181 PolarHBondContact O-N 3.2Å; K123-D182 VanDerWaalsContact CE-OD2 3.24Å; K123-D182 WeakPolarHBondContact CE-OD2 3.41Å; K123-D182 IonicContact NZ-OD2 3.24Å; K123-D182 PolarHBondContact NZ-OD2 3.42Å
124	I	67.5	Low	62.7	Low	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	112.5	-172.6	-56	176.8	0	0	0	110.2	V73 I119 L121 G122 I178 L226 I230 R234	V73-I124 HydrophobicContact CG2-CD1 4.14Å; I119-I124 HydrophobicContact CG2-CD1 4.42Å; I119-I124 HydrophobicContact CG2-CG1 4.12Å; L121-I124 HydrophobicContact CD2-CD1 4.02Å; L121-I124 PolarHBondContact O-N 3.37Å; G122-I124 VanDerWaalsContact C-N 3.31Å; I124-I178 HydrophobicContact CB-CG2 4.3Å; I124-I178 HydrophobicContact CD1-CG2 3.85Å; I124-I178 HydrophobicContact CG1-CG2 3.73Å; I124-I178 HydrophobicContact CG2-CG2 3.73Å; I124-L226 HydrophobicContact CD1-CD1 4.47Å; I124-I230 HydrophobicContact CB-CD1 4.33Å; I124-I230 HydrophobicContact CD1-CD1 3.95Å; I124-I230 HydrophobicContact CD1-CG1 4.33Å; I124-I230 HydrophobicContact CG2-CD1 3.96Å; I124-R234 VanDerWaalsContact C-NH2 3.34Å; I124-R234 PolarHBondContact O-NH2 3.12Å
125	D	65.7	Low	64.2	Low	30 Å²	30	46.4 Å²	46.4	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-51.2	177.2	-81.2	-30.6	0	0	0	112.1	K123 L179 T181 R234 Y319	K123-D125 PolarHBondContact O-N 2.66Å; D125-L179 PolarHBondContact N-O 3.09Å; D125-T181 VanDerWaalsContact OD2-CA 3.24Å; D125-T181 WeakPolarHBondContact OD2-CA 3.06Å; D125-T181 WeakPolarHBondContact OD2-CG2 3.37Å; D125-T181 PolarHBondContact OD2-N 3.3Å; D125-R234 IonicContact OD1-CZ 3.19Å; D125-R234 IonicContact OD1-NH1 3.38Å; D125-R234 PolarHBondContact OD1-NH1 2.93Å; D125-R234 IonicContact OD1-NH2 2.78Å; D125-R234 PolarHBondContact OD1-NH2 3Å; D125-Y319 PolarHBondContact OD1-OH 3.32Å; D125-Y319 VanDerWaalsContact OD1-OH 3.09Å
126	Y	70.3	Confident	65.7	Low	82 Å²	82	45.8 Å²	45.8	32%	0.322	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.4	176.6	-57.2	-55.4	0	0	0	112.1	K138 L179 D316	Y126-K138 VanDerWaalsContact CD1-CE 3.42Å; Y126-K138 VanDerWaalsContact CE1-NZ 3.25Å; Y126-L179 HydrophobicContact CD2-CD1 4.37Å; Y126-L179 PolarHBondContact N-O 2.79Å; Y126-L179 PolarHBondContact O-N 3.48Å; Y126-D316 PolarHBondContact OH-OD1 3.38Å
127	L	76.7	Confident	67.1	Low	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.6	169.6	-162.9	75.5	0	0	0	107.2	F139 W146 L176 I178 L226 T227 I230	L127-F139 HydrophobicContact CB-CB 3.78Å; L127-F139 HydrophobicContact CB-CD1 4.3Å; L127-F139 HydrophobicContact CB-CG 4.43Å; L127-F139 WeakPolarHBondContact O-CB 3.39Å; L127-F139 PolarHBondContact O-N 2.84Å; L127-W146 HydrophobicContact CB-CH2 4.48Å; L127-W146 HydrophobicContact CD2-CH2 3.9Å; L127-W146 HydrophobicContact CD2-CZ2 4.11Å; L127-W146 HydrophobicContact CG-CH2 4.19Å; L127-L176 HydrophobicContact CD1-CD1 3.91Å; L127-L176 HydrophobicContact CD2-CD1 4.42Å; L127-L176 HydrophobicContact CG-CD1 4.01Å; L127-I178 HydrophobicContact CD1-CB 4.49Å; L127-I178 HydrophobicContact CD1-CG1 3.88Å; L127-L226 HydrophobicContact CD1-CD2 4.05Å; L127-L226 HydrophobicContact CD2-CD2 4.08Å; L127-L226 HydrophobicContact CD2-CG 4.39Å; L127-T227 HydrophobicContact CD2-CG2 4Å; L127-I230 HydrophobicContact CD2-CD1 4.38Å
128	L	78.4	Confident	68.2	Low	43 Å²	43	46.5 Å²	46.5	23%	0.225	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.6	175.6	-47.8	178.6	0	0	0	110.3	I136 Y137 K138 F177 L179	L128-I136 HydrophobicContact CB-CG2 4.43Å; L128-Y137 VanDerWaalsContact CA-O 3.31Å; L128-Y137 WeakPolarHBondContact CA-O 3.47Å; L128-K138 HydrophobicContact CD2-CB 3.83Å; L128-K138 HydrophobicContact CD2-CG 4Å; L128-F177 HydrophobicContact CB-CB 4.14Å; L128-F177 HydrophobicContact CB-CD2 4.36Å; L128-F177 PolarHBondContact N-O 3.35Å; L128-F177 PolarHBondContact O-N 3.09Å; L128-L179 HydrophobicContact CD1-CD1 3.89Å; L128-L179 HydrophobicContact CG-CD1 4.05Å
129	I	77.5	Confident	69.2	Low	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.4	172.7	-80.7	178.8	0	0	0	109.1	I136 Y137 W146 P173 L176 I223	I129-I136 WeakPolarHBondContact O-CA 3.27Å; I129-Y137 HydrophobicContact CG2-CD2 4.41Å; I129-Y137 PolarHBondContact N-O 2.98Å; I129-Y137 PolarHBondContact O-N 2.93Å; I129-W146 HydrophobicContact CB-CH2 4.14Å; I129-W146 HydrophobicContact CB-CZ3 4.02Å; I129-W146 HydrophobicContact CD1-CH2 3.41Å; I129-W146 VanDerWaalsContact CD1-CH2 3.41Å; I129-W146 HydrophobicContact CD1-CZ2 3.7Å; I129-W146 HydrophobicContact CD1-CZ3 4.12Å; I129-W146 HydrophobicContact CG1-CH2 3.63Å; I129-W146 HydrophobicContact CG1-CZ2 4.42Å; I129-W146 HydrophobicContact CG1-CZ3 4.04Å; I129-P173 HydrophobicContact CD1-CB 4.31Å; I129-P173 HydrophobicContact CG2-CB 3.57Å; I129-L176 HydrophobicContact CD1-CD1 4.3Å; I129-L176 HydrophobicContact CG1-CD1 3.81Å; I129-I223 HydrophobicContact CD1-CD1 4.14Å; I129-I223 HydrophobicContact CD1-CG2 3.98Å
130	Q	73.9	Confident	69.6	Low	28 Å²	28	46.5 Å²	46.5	13%	0.131	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134	165	-174	175.4	1	0	0	108.4	D134 P173 S174 R175 F177	Q130-D134 PolarHBondContact NE2-OD1 2.92Å; Q130-P173 CarbonylContact O-C 3.56Å; Q130-P173 WeakPolarHBondContact O-CA 3.42Å; Q130-S174 PolarHBondContact O-N 3.3Å; Q130-S174 PolarHBondContact O-OG 3.37Å; Q130-S174 VanDerWaalsContact O-OG 3.05Å; Q130-R175 HydrophobicContact CB-CB 4.15Å; Q130-R175 PolarHBondContact N-O 3.38Å; Q130-R175 PolarHBondContact O-N 3Å; Q130-F177 HydrophobicContact CB-CE2 4.14Å
131	D	72.3	Confident	69.7	Low	2 Å²	2	47 Å²	47	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	166.7	171.1	171.5	44.3	0	0	0	111.7	H133 D134 R135 Y137 H171 T172 S174	D131-H133 PolarHBondContact O-N 3.13Å; D131-H133 WeakPolarHBondContact OD2-CB 3.48Å; D131-H133 IonicContact OD2-CD2 2.83Å; D131-H133 PolarHBondContact OD2-CD2 3.14Å; D131-H133 VanDerWaalsContact OD2-CD2 3.27Å; D131-H133 IonicContact OD2-CG 2.69Å; D131-H133 PolarHBondContact OD2-N 3.43Å; D131-D134 PolarHBondContact O-N 2.89Å; D131-R135 PolarHBondContact N-O 3.11Å; D131-R135 VanDerWaalsContact N-O 3.07Å; D131-R135 IonicContact OD2-CZ 2.78Å; D131-R135 IonicContact OD2-NE 3.15Å; D131-R135 IonicContact OD2-NH2 3.07Å; D131-R135 PolarHBondContact OD2-NH2 3.49Å; D131-Y137 HydrophobicContact CB-CE2 4.01Å; D131-H171 HydrophobicContact CB-CB 4.47Å; D131-H171 WeakPolarHBondContact OD1-CB 3.36Å; D131-H171 WeakPolarHBondContact OD2-CB 3.36Å; D131-H171 IonicContact OD2-CD2 3.73Å; D131-H171 IonicContact OD2-CG 3.84Å; D131-T172 PolarHBondContact OD1-N 3.12Å; D131-T172 VanDerWaalsContact OD1-O 3.08Å; D131-S174 VanDerWaalsContact C-OG 3.22Å; D131-S174 PolarHBondContact O-OG 3.35Å
132	R	67	Low	69.8	Low	156 Å²	156	51.1 Å²	51.1	59%	0.589	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-11.7	170.4	79.7	-177.4	-165.6	-178	7.8	115	T172	R132-T172 PolarHBondContact N-O 3.24Å
133	H	67.8	Low	70	Confident	116 Å²	116	54.6 Å²	54.6	54%	0.537	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	30.4	177.5	-59.2	-93.7	0	0	0	111.1	D131 R135 H171	D131-H133 PolarHBondContact O-N 3.13Å; D131-H133 WeakPolarHBondContact OD2-CB 3.48Å; D131-H133 IonicContact OD2-CD2 2.83Å; D131-H133 PolarHBondContact OD2-CD2 3.14Å; D131-H133 VanDerWaalsContact OD2-CD2 3.27Å; D131-H133 IonicContact OD2-CG 2.69Å; D131-H133 PolarHBondContact OD2-N 3.43Å; H133-R135 PolarHBondContact CD2-NH2 3.49Å; H133-R135 PolarHBondContact O-N 2.86Å; H133-H171 AromaticContact NE2-CE1 3.94Å; H133-H171 AromaticContact NE2-ND1 3.67Å
134	D	64.1	Low	70.5	Confident	115 Å²	115	53.6 Å²	53.6	62%	0.615	25%	0.25	S	C	*	.			trans	53	16.5	174.5	-60.2	-35.5	0	0	0	117.5	Q130 D131	Q130-D134 PolarHBondContact NE2-OD1 2.92Å; D131-D134 PolarHBondContact O-N 2.89Å
135	R	64.4	Low	70.6	Confident	69 Å²	69	57.7 Å²	57.7	26%	0.26	27%	0.271	S	S	.	.			trans	-80.1	126.4	172.8	-73.2	167.3	-65.6	164.8	8.1	109.8	D131 H133 Y137 H171	D131-R135 PolarHBondContact N-O 3.11Å; D131-R135 VanDerWaalsContact N-O 3.07Å; D131-R135 IonicContact OD2-CZ 2.78Å; D131-R135 IonicContact OD2-NE 3.15Å; D131-R135 IonicContact OD2-NH2 3.07Å; D131-R135 PolarHBondContact OD2-NH2 3.49Å; H133-R135 PolarHBondContact CD2-NH2 3.49Å; H133-R135 PolarHBondContact O-N 2.86Å; R135-Y137 HydrophobicContact CB-CE2 3.95Å; R135-Y137 WeakPolarHBondContact O-CD2 3.38Å; R135-Y137 WeakPolarHBondContact O-CE2 3.47Å; R135-H171 VanDerWaalsContact CZ-CD2 3.49Å; R135-H171 PolarHBondContact NH1-CD2 3.34Å; R135-H171 PolarHBondContact NH1-NE2 2.71Å; R135-H171 PolarHBondContact NH2-CD2 2.66Å; R135-H171 VanDerWaalsContact NH2-CG 3.34Å; R135-H171 PolarHBondContact NH2-NE2 2.92Å
136	I	69.4	Low	70.8	Confident	74 Å²	74	59.2 Å²	59.2	38%	0.379	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.5	178.7	-57.3	172.9	0	0	0	109.5	L128 I129 S149	L128-I136 HydrophobicContact CB-CG2 4.43Å; I129-I136 WeakPolarHBondContact O-CA 3.27Å; I136-S149 PolarHBondContact O-N 3.05Å; I136-S149 VanDerWaalsContact O-N 3.1Å
137	Y	71.1	Confident	70.7	Confident	20 Å²	20	59.4 Å²	59.4	8%	0.078	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.7	174.1	-59.4	-94.4	0	0	0	109	L128 I129 D131 R135 W146 L147	L128-Y137 VanDerWaalsContact CA-O 3.31Å; L128-Y137 WeakPolarHBondContact CA-O 3.47Å; I129-Y137 HydrophobicContact CG2-CD2 4.41Å; I129-Y137 PolarHBondContact N-O 2.98Å; I129-Y137 PolarHBondContact O-N 2.93Å; D131-Y137 HydrophobicContact CB-CE2 4.01Å; R135-Y137 HydrophobicContact CB-CE2 3.95Å; R135-Y137 WeakPolarHBondContact O-CD2 3.38Å; R135-Y137 WeakPolarHBondContact O-CE2 3.47Å; Y137-W146 WeakPolarHBondContact O-CZ3 3.34Å; Y137-L147 CarbonylContact C-O 3.52Å; Y137-L147 VanDerWaalsContact CA-O 3.26Å; Y137-L147 WeakPolarHBondContact CA-O 2.92Å
138	K	75.6	Confident	69.9	Low	72 Å²	72	65.5 Å²	65.5	31%	0.313	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.5	173.8	176.7	-179.6	-178	178.5	0	108.9	Y126 L128 W146 L147	Y126-K138 VanDerWaalsContact CD1-CE 3.42Å; Y126-K138 VanDerWaalsContact CE1-NZ 3.25Å; L128-K138 HydrophobicContact CD2-CB 3.83Å; L128-K138 HydrophobicContact CD2-CG 4Å; K138-W146 WeakPolarHBondContact O-CA 3.36Å; K138-L147 HydrophobicContact CB-CB 4.49Å; K138-L147 PolarHBondContact N-O 3.25Å; K138-L147 PolarHBondContact O-N 3.45Å
139	F	76.4	Confident	68.9	Low	3 Å²	3	66.4 Å²	66.4	1%	0.013	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.8	169.5	-173.5	-125.3	0	0	0	110.5	L127 P141 N144 L145 W146 T227 I230	L127-F139 HydrophobicContact CB-CB 3.78Å; L127-F139 HydrophobicContact CB-CD1 4.3Å; L127-F139 HydrophobicContact CB-CG 4.43Å; L127-F139 WeakPolarHBondContact O-CB 3.39Å; L127-F139 PolarHBondContact O-N 2.84Å; F139-P141 HydrophobicContact CD1-CB 4.18Å; F139-P141 HydrophobicContact CE1-CB 3.77Å; F139-N144 WeakPolarHBondContact CE2-OD1 3.45Å; F139-N144 WeakPolarHBondContact CZ-OD1 3.46Å; F139-L145 VanDerWaalsContact CD2-O 3.29Å; F139-L145 WeakPolarHBondContact CD2-O 3.36Å; F139-W146 HydrophobicContact CB-CD2 4.27Å; F139-W146 HydrophobicContact CB-CE3 3.98Å; F139-W146 HydrophobicContact CB-CH2 3.81Å; F139-W146 HydrophobicContact CB-CZ2 4.08Å; F139-W146 HydrophobicContact CB-CZ3 3.75Å; F139-W146 HydrophobicContact CD2-CD2 4.14Å; F139-W146 AromaticContact CD2-CE2 3.82Å; F139-W146 HydrophobicContact CD2-CG 4.46Å; F139-W146 HydrophobicContact CD2-CZ2 4.15Å; F139-W146 AromaticContact CD2-NE1 3.9Å; F139-W146 HydrophobicContact CG-CZ2 4.32Å; F139-T227 HydrophobicContact CD1-CG2 4.35Å; F139-T227 HydrophobicContact CD2-CG2 3.84Å; F139-T227 HydrophobicContact CE1-CG2 4.21Å; F139-T227 HydrophobicContact CE2-CG2 3.71Å; F139-T227 HydrophobicContact CG-CG2 4.19Å; F139-T227 VanDerWaalsContact CZ-CB 3.47Å; F139-T227 HydrophobicContact CZ-CG2 3.91Å; F139-T227 WeakPolarHBondContact CZ-O 3.24Å; F139-I230 HydrophobicContact CE1-CB 4.21Å; F139-I230 HydrophobicContact CE1-CG2 4.22Å
140	D	70.3	Confident	67.3	Low	30 Å²	30	72.8 Å²	72.8	16%	0.16	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.4	167.1	176.1	-20.2	0	0	0	107.8	I142 H143 N144 L145 L147	D140-I142 PolarHBondContact OD1-N 3.34Å; D140-H143 IonicContact OD1-CD2 2.7Å; D140-H143 PolarHBondContact OD1-N 2.79Å; D140-H143 WeakPolarHBondContact OD2-CB 3.27Å; D140-H143 IonicContact OD2-CD2 3.72Å; D140-H143 PolarHBondContact OD2-CD2 3.23Å; D140-H143 VanDerWaalsContact OD2-CD2 3.24Å; D140-H143 IonicContact OD2-CG 3.92Å; D140-N144 CarbonylContact O-C 3.35Å; D140-N144 WeakPolarHBondContact O-CA 3.35Å; D140-N144 PolarHBondContact O-N 2.96Å; D140-L145 HydrophobicContact CB-CB 4.33Å; D140-L145 PolarHBondContact N-O 3.18Å; D140-L145 PolarHBondContact O-N 2.74Å; D140-L145 VanDerWaalsContact O-N 3.12Å; D140-L147 HydrophobicContact CB-CD1 4.35Å
141	P	67.1	Low	65.7	Low	17 Å²	17	78.4 Å²	78.4	11%	0.11	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.4	-177.8	32.9	-36.1	0	0	0	112.9	F139 I230 S231 R234	F139-P141 HydrophobicContact CD1-CB 4.18Å; F139-P141 HydrophobicContact CE1-CB 3.77Å; P141-I230 HydrophobicContact CB-CG2 3.79Å; P141-S231 VanDerWaalsContact O-CA 3.25Å; P141-S231 WeakPolarHBondContact O-CA 3.4Å; P141-S231 WeakPolarHBondContact O-CB 3.12Å; P141-S231 PolarHBondContact O-OG 3.08Å; P141-R234 HydrophobicContact CB-CB 4.06Å; P141-R234 HydrophobicContact CB-CG 3.92Å; P141-R234 HydrophobicContact CG-CB 4.41Å; P141-R234 HydrophobicContact CG-CG 4.11Å
142	I	66.5	Low	63.6	Low	89 Å²	89	80.9 Å²	80.9	46%	0.456	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-46.6	179.2	-60.8	176.3	0	0	0	109.2	D140 R235	D140-I142 PolarHBondContact OD1-N 3.34Å; I142-R235 VanDerWaalsContact O-CZ 3.23Å; I142-R235 PolarHBondContact O-NE 3.21Å; I142-R235 PolarHBondContact O-NH2 3Å
143	H	66.5	Low	62	Low	116 Å²	116	78.8 Å²	78.8	54%	0.537	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.4	179.1	-64.2	-79.1	0	0	0	113.9	D140 L145 R235	D140-H143 IonicContact OD1-CD2 2.7Å; D140-H143 PolarHBondContact OD1-N 2.79Å; D140-H143 WeakPolarHBondContact OD2-CB 3.27Å; D140-H143 IonicContact OD2-CD2 3.72Å; D140-H143 PolarHBondContact OD2-CD2 3.23Å; D140-H143 VanDerWaalsContact OD2-CD2 3.24Å; D140-H143 IonicContact OD2-CG 3.92Å; H143-L145 VanDerWaalsContact C-N 3.3Å; H143-L145 HydrophobicContact CB-CB 4.42Å; H143-L145 HydrophobicContact CB-CD1 3.71Å; H143-L145 HydrophobicContact CB-CG 3.81Å; H143-R235 PolarHBondContact O-NH2 3.38Å
144	N	71.1	Confident	60.1	Low	60 Å²	60	83.1 Å²	83.1	32%	0.321	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	38.4	-173.6	-164.9	31.4	0	0	0	112.3	F139 D140 S231	F139-N144 WeakPolarHBondContact CE2-OD1 3.45Å; F139-N144 WeakPolarHBondContact CZ-OD1 3.46Å; D140-N144 CarbonylContact O-C 3.35Å; D140-N144 WeakPolarHBondContact O-CA 3.35Å; D140-N144 PolarHBondContact O-N 2.96Å; N144-S231 WeakPolarHBondContact CB-OG 3.35Å
145	L	70.9	Confident	58.8	Low	86 Å²	86	85.1 Å²	85.1	45%	0.45	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	158.7	-174.6	-65.3	177.9	0	0	0	111.2	F139 D140 H143	F139-L145 VanDerWaalsContact CD2-O 3.29Å; F139-L145 WeakPolarHBondContact CD2-O 3.36Å; D140-L145 HydrophobicContact CB-CB 4.33Å; D140-L145 PolarHBondContact N-O 3.18Å; D140-L145 PolarHBondContact O-N 2.74Å; D140-L145 VanDerWaalsContact O-N 3.12Å; H143-L145 VanDerWaalsContact C-N 3.3Å; H143-L145 HydrophobicContact CB-CB 4.42Å; H143-L145 HydrophobicContact CB-CD1 3.71Å; H143-L145 HydrophobicContact CB-CG 3.81Å
146	W	69.9	Low	57.1	Low	63 Å²	63	88.4 Å²	88.4	24%	0.239	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.8	168.2	-76.6	96.7	0	0	0	109.4	L127 I129 Y137 K138 F139 I223 T227	L127-W146 HydrophobicContact CB-CH2 4.48Å; L127-W146 HydrophobicContact CD2-CH2 3.9Å; L127-W146 HydrophobicContact CD2-CZ2 4.11Å; L127-W146 HydrophobicContact CG-CH2 4.19Å; I129-W146 HydrophobicContact CB-CH2 4.14Å; I129-W146 HydrophobicContact CB-CZ3 4.02Å; I129-W146 HydrophobicContact CD1-CH2 3.41Å; I129-W146 VanDerWaalsContact CD1-CH2 3.41Å; I129-W146 HydrophobicContact CD1-CZ2 3.7Å; I129-W146 HydrophobicContact CD1-CZ3 4.12Å; I129-W146 HydrophobicContact CG1-CH2 3.63Å; I129-W146 HydrophobicContact CG1-CZ2 4.42Å; I129-W146 HydrophobicContact CG1-CZ3 4.04Å; Y137-W146 WeakPolarHBondContact O-CZ3 3.34Å; K138-W146 WeakPolarHBondContact O-CA 3.36Å; F139-W146 HydrophobicContact CB-CD2 4.27Å; F139-W146 HydrophobicContact CB-CE3 3.98Å; F139-W146 HydrophobicContact CB-CH2 3.81Å; F139-W146 HydrophobicContact CB-CZ2 4.08Å; F139-W146 HydrophobicContact CB-CZ3 3.75Å; F139-W146 HydrophobicContact CD2-CD2 4.14Å; F139-W146 AromaticContact CD2-CE2 3.82Å; F139-W146 HydrophobicContact CD2-CG 4.46Å; F139-W146 HydrophobicContact CD2-CZ2 4.15Å; F139-W146 AromaticContact CD2-NE1 3.9Å; F139-W146 HydrophobicContact CG-CZ2 4.32Å; W146-I223 HydrophobicContact CZ2-CG2 4.39Å; W146-T227 HydrophobicContact CZ2-CG2 3.6Å
147	L	67.1	Low	55.2	Low	85 Å²	85	95.4 Å²	95.4	45%	0.445	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148.5	174.7	-57.4	174.2	0	0	0	109.4	Y137 K138 D140	Y137-L147 CarbonylContact C-O 3.52Å; Y137-L147 VanDerWaalsContact CA-O 3.26Å; Y137-L147 WeakPolarHBondContact CA-O 2.92Å; K138-L147 HydrophobicContact CB-CB 4.49Å; K138-L147 PolarHBondContact N-O 3.25Å; K138-L147 PolarHBondContact O-N 3.45Å; D140-L147 HydrophobicContact CB-CD1 4.35Å
148	R	61.7	Low	53.1	Low	130 Å²	130	103.5 Å²	103.5	49%	0.491	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.1	173.5	177.8	179.9	165.6	-159.5	-11.6	108.7	N151 G152	R148-N151 PolarHBondContact NH2-O 2.76Å; R148-G152 PolarHBondContact NH2-O 3.45Å
149	S	55.8	Low	50.8	Low	61 Å²	61	109.1 Å²	109.1	43%	0.427	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-67.1	150.5	174.5	73	0	0	0	0	111.5	I136 N151	I136-S149 PolarHBondContact O-N 3.05Å; I136-S149 VanDerWaalsContact O-N 3.1Å; S149-N151 PolarHBondContact O-N 2.72Å
150	V	44.6	Very low	48.3	Very low	136 Å²	136	114.3 Å²	114.3	82%	0.824	59%	0.592	S	S	*	*	S	Bend	trans	-80	111.2	-171.6	-178.8	0	0	0	0	110.9
151	N	39.3	Very low	46.3	Very low	146 Å²	146	123.3 Å²	123.3	78%	0.781	62%	0.623	S	S	*	*			trans	-166.7	127.9	149.3	-97.9	-27.8	0	0	0	109.6	R148 S149	R148-N151 PolarHBondContact NH2-O 2.76Å; S149-N151 PolarHBondContact O-N 2.72Å
152	G	29.7	Very low	44.3	Very low	55 Å²	55	129.9 Å²	129.9	57%	0.567	66%	0.657	S	S	*	*	S	Bend	trans	67.9	103.6	167.3	0	0	0	0	0	118.7	R148	R148-G152 PolarHBondContact NH2-O 3.45Å
153	S	33.2	Very low	42.3	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	68%	0.676	S	S	*	*			trans	46.5	151.4	149.2	63.8	0	0	0	0	121.5
154	K	27.7	Very low	40.5	Very low	207 Å²	207	137 Å²	137	90%	0.9	69%	0.694	S	S	*	*			cis	-145.1	152.4	-32.7	-165.9	176.8	-168.4	-179.2	0	106.3
155	L	36.5	Very low	38.4	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	70%	0.703	S	S	*	*			trans	-81.2	141.6	-171.9	-76.4	132.6	0	0	0	114.7
156	N	28	Very low	36.6	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	72%	0.721	S	S	*	*				170.9	126.7	115.1	-98.3	-35	0	0	0	113.7
157	F	29.8	Very low	34.8	Very low	221 Å²	221	147.7 Å²	147.7	97%	0.969	75%	0.745	S	S	*	*			trans	-146.4	138.8	150.5	-87.3	-72.3	0	0	0	109.9
158	K	27.5	Very low	33.8	Very low	191 Å²	191	146 Å²	146	83%	0.83	74%	0.736	S	S	*	*			trans	-94.2	146.7	-171.3	-68.5	178.9	176.6	176.7	0	112.5
159	K	26.7	Very low	33.1	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.826	72%	0.717	S	S	*	*	S	Bend	trans	73.6	147.4	162.5	-66.2	-177.9	173.5	-175	0	118.6
160	C	24.7	Very low	32.7	Very low	112 Å²	112	142.2 Å²	142.2	76%	0.757	73%	0.727	S	S	*	*			trans	55.5	93.6	159.2	-56.5	0	0	0	0	119.2
161	W	27.3	Very low	33.2	Very low	218 Å²	218	138.9 Å²	138.9	83%	0.826	70%	0.702	S	S	*	*			trans	-132	24.4	160.4	-92.4	77.2	0	0	0	113.5	K167	W161-K167 HydrophobicContact CH2-CB 4.24Å
162	L	25	Very low	34.1	Very low	156 Å²	156	133.1 Å²	133.1	82%	0.817	67%	0.672	S	S	*	*	S	Bend	trans	-96	142.5	155.5	-78.2	162.9	0	0	0	107.6
163	N	25.9	Very low	35.8	Very low	160 Å²	160	130.6 Å²	130.6	86%	0.856	65%	0.646	S	S	*	*	S	Bend	trans	60.5	72.7	-178.4	-57.7	-12.9	0	0	0	116.2
164	E	27.5	Very low	37.3	Very low	194 Å²	194	126.9 Å²	126.9	91%	0.907	62%	0.62	S	S	*	*			trans	-165.3	166.1	133.6	-119	-180	-142.2	0	0	113.8
165	S	28.6	Very low	39.3	Very low	75 Å²	75	121.1 Å²	121.1	52%	0.524	59%	0.592	S	S	.	*			trans	-106.7	159.7	-178.2	64.5	0	0	0	0	112.6
166	K	31.7	Very low	41.1	Very low	188 Å²	188	113.6 Å²	113.6	82%	0.817	55%	0.553	S	S	*	*			trans	90.4	25.4	159.7	-49.1	155.9	-179.8	173.4	0	120.5
167	K	32.7	Very low	43.4	Very low	170 Å²	170	109.1 Å²	109.1	74%	0.739	53%	0.527	S	S	*	.			trans	-121.2	123.6	170.6	-72.8	177.3	-177.3	165.3	0	113.7	W161	W161-K167 HydrophobicContact CH2-CB 4.24Å
168	L	46.7	Very low	45.5	Very low	49 Å²	49	98.7 Å²	98.7	26%	0.257	48%	0.481	S	S	.	.			trans	-78.4	173.6	175.2	-78.8	109.8	0	0	0	111.7	N220 N224	L168-N220 HydrophobicContact CD1-CB 3.81Å; L168-N220 HydrophobicContact CD2-CB 3.84Å; L168-N224 VanDerWaalsContact CD1-ND2 3.31Å; L168-N224 WeakPolarHBondContact CD1-ND2 3.45Å; L168-N224 WeakPolarHBondContact CG-ND2 3.25Å
169	P	46	Very low	47.4	Very low	16 Å²	16	91.6 Å²	91.6	10%	0.104	45%	0.452	C	S	.	.			trans	-44.3	145.3	158.7	18.8	-34	0	0	0	112	H171	P169-H171 PolarHBondContact O-N 2.98Å
170	P	47	Very low	49.1	Very low	97 Å²	97	82.7 Å²	82.7	63%	0.63	41%	0.414	S	S	*	.	S	Bend	trans	-69.1	-0.9	-165.7	23.1	-32.1	0	0	0	115.8
171	H	56.6	Low	50.7	Low	66 Å²	66	78.8 Å²	78.8	31%	0.306	39%	0.387	S	S	.	.	S	Bend	trans	-145	176.1	-175.6	-54.3	-79.5	0	0	0	111.2	D131 H133 R135 P169 P173	D131-H171 HydrophobicContact CB-CB 4.47Å; D131-H171 WeakPolarHBondContact OD1-CB 3.36Å; D131-H171 WeakPolarHBondContact OD2-CB 3.36Å; D131-H171 IonicContact OD2-CD2 3.73Å; D131-H171 IonicContact OD2-CG 3.84Å; H133-H171 AromaticContact NE2-CE1 3.94Å; H133-H171 AromaticContact NE2-ND1 3.67Å; R135-H171 VanDerWaalsContact CZ-CD2 3.49Å; R135-H171 PolarHBondContact NH1-CD2 3.34Å; R135-H171 PolarHBondContact NH1-NE2 2.71Å; R135-H171 PolarHBondContact NH2-CD2 2.66Å; R135-H171 VanDerWaalsContact NH2-CG 3.34Å; R135-H171 PolarHBondContact NH2-NE2 2.92Å; P169-H171 PolarHBondContact O-N 2.98Å; H171-P173 WeakPolarHBondContact O-CD 3.42Å
172	T	57.3	Low	51.5	Low	24 Å²	24	72.4 Å²	72.4	15%	0.147	37%	0.369	C	S	.	.			trans	-86.8	116.4	-169.4	42.7	0	0	0	0	112	D131 R132 S174 Y192 K216	D131-T172 PolarHBondContact OD1-N 3.12Å; D131-T172 VanDerWaalsContact OD1-O 3.08Å; R132-T172 PolarHBondContact N-O 3.24Å; T172-S174 PolarHBondContact O-N 2.78Å; T172-Y192 WeakPolarHBondContact CB-OH 3.34Å; T172-K216 HydrophobicContact CG2-CD 4.43Å
173	P	65.4	Low	52.8	Low	3 Å²	3	72.3 Å²	72.3	2%	0.019	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	118.2	-179.4	27.2	-37.1	0	0	0	111.6	I129 Q130 H171 L190 Y192 I223	I129-P173 HydrophobicContact CD1-CB 4.31Å; I129-P173 HydrophobicContact CG2-CB 3.57Å; Q130-P173 CarbonylContact O-C 3.56Å; Q130-P173 WeakPolarHBondContact O-CA 3.42Å; H171-P173 WeakPolarHBondContact O-CD 3.42Å; P173-L190 HydrophobicContact CB-CD1 3.73Å; P173-L190 HydrophobicContact CG-CD1 3.96Å; P173-L190 VanDerWaalsContact O-CD1 3.31Å; P173-L190 WeakPolarHBondContact O-CD1 3.27Å; P173-Y192 VanDerWaalsContact CD-OH 3.24Å; P173-Y192 WeakPolarHBondContact CD-OH 3.03Å; P173-Y192 VanDerWaalsContact O-CE2 3.26Å; P173-Y192 WeakPolarHBondContact O-CE2 3.28Å; P173-Y192 PolarHBondContact O-OH 3.49Å; P173-I223 HydrophobicContact CB-CD1 4.39Å; P173-I223 HydrophobicContact CG-CD1 3.74Å
174	S	65.3	Low	53.9	Low	32 Å²	32	67.1 Å²	67.1	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-35.7	177.6	57.6	0	0	0	0	112	Q130 D131 T172 L190	Q130-S174 PolarHBondContact O-N 3.3Å; Q130-S174 PolarHBondContact O-OG 3.37Å; Q130-S174 VanDerWaalsContact O-OG 3.05Å; D131-S174 VanDerWaalsContact C-OG 3.22Å; D131-S174 PolarHBondContact O-OG 3.35Å; T172-S174 PolarHBondContact O-N 2.78Å; S174-L190 PolarHBondContact O-N 2.85Å
175	R	68.6	Low	55.4	Low	86 Å²	86	62.4 Å²	62.4	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.7	174.3	-54.6	-171.4	-178.8	125.2	-6.5	112.3	Q130 F177 F188	Q130-R175 HydrophobicContact CB-CB 4.15Å; Q130-R175 PolarHBondContact N-O 3.38Å; Q130-R175 PolarHBondContact O-N 3Å; R175-F177 HydrophobicContact CB-CD2 4.49Å; R175-F177 HydrophobicContact CB-CE2 3.83Å; R175-F177 HydrophobicContact CB-CZ 4.22Å; R175-F188 VanDerWaalsContact CA-O 3.3Å; R175-F188 WeakPolarHBondContact CA-O 3.41Å
176	L	75.7	Confident	57.1	Low	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.6	171.1	-179.5	69.7	0	0	0	108.6	L66 L127 I129 I178 F188 L190 F222	L66-L176 HydrophobicContact CD1-CD2 4.42Å; L127-L176 HydrophobicContact CD1-CD1 3.91Å; L127-L176 HydrophobicContact CD2-CD1 4.42Å; L127-L176 HydrophobicContact CG-CD1 4.01Å; I129-L176 HydrophobicContact CD1-CD1 4.3Å; I129-L176 HydrophobicContact CG1-CD1 3.81Å; L176-I178 HydrophobicContact CD2-CG1 4.5Å; L176-I178 HydrophobicContact CG-CG1 4.46Å; L176-F188 HydrophobicContact CB-CB 4.4Å; L176-F188 HydrophobicContact CD2-CD2 4.41Å; L176-F188 PolarHBondContact N-O 3.47Å; L176-F188 PolarHBondContact O-N 3.29Å; L176-L190 HydrophobicContact CB-CD1 4.34Å; L176-F222 HydrophobicContact CD2-CE1 4.5Å
177	F	75.4	Confident	58.7	Low	43 Å²	43	55.5 Å²	55.5	19%	0.189	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.7	171.1	-55.7	-97.8	0	0	0	109.3	L128 Q130 R175 Y186 N187	L128-F177 HydrophobicContact CB-CB 4.14Å; L128-F177 HydrophobicContact CB-CD2 4.36Å; L128-F177 PolarHBondContact N-O 3.35Å; L128-F177 PolarHBondContact O-N 3.09Å; Q130-F177 HydrophobicContact CB-CE2 4.14Å; R175-F177 HydrophobicContact CB-CD2 4.49Å; R175-F177 HydrophobicContact CB-CE2 3.83Å; R175-F177 HydrophobicContact CB-CZ 4.22Å; F177-Y186 VanDerWaalsContact CA-O 3.31Å; F177-Y186 WeakPolarHBondContact CA-O 3.43Å; F177-N187 HydrophobicContact CD1-CB 3.86Å; F177-N187 HydrophobicContact CE1-CB 3.88Å; F177-N187 VanDerWaalsContact CE1-CG 3.42Å; F177-N187 WeakPolarHBondContact CE1-OD1 3.06Å
178	I	73.1	Confident	60.4	Low	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.6	170.6	-46.4	-175.1	0	0	0	107.4	I119 I124 L127 L176 Y186 F188	I119-I178 HydrophobicContact CD1-CD1 4.26Å; I124-I178 HydrophobicContact CB-CG2 4.3Å; I124-I178 HydrophobicContact CD1-CG2 3.85Å; I124-I178 HydrophobicContact CG1-CG2 3.73Å; I124-I178 HydrophobicContact CG2-CG2 3.73Å; L127-I178 HydrophobicContact CD1-CB 4.49Å; L127-I178 HydrophobicContact CD1-CG1 3.88Å; L176-I178 HydrophobicContact CD2-CG1 4.5Å; L176-I178 HydrophobicContact CG-CG1 4.46Å; I178-Y186 HydrophobicContact CB-CD2 4.49Å; I178-Y186 PolarHBondContact N-O 3.28Å; I178-Y186 PolarHBondContact O-N 3.23Å; I178-F188 HydrophobicContact CD1-CD2 4.5Å; I178-F188 HydrophobicContact CD1-CE2 3.78Å; I178-F188 HydrophobicContact CG1-CD2 4.46Å; I178-F188 HydrophobicContact CG1-CE2 4.01Å
179	L	68.7	Low	61.3	Low	42 Å²	42	48.5 Å²	48.5	22%	0.22	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.3	175.4	-76.4	145.4	0	0	0	108.7	D125 Y126 L128 E184 V185	D125-L179 PolarHBondContact N-O 3.09Å; Y126-L179 HydrophobicContact CD2-CD1 4.37Å; Y126-L179 PolarHBondContact N-O 2.79Å; Y126-L179 PolarHBondContact O-N 3.48Å; L128-L179 HydrophobicContact CD1-CD1 3.89Å; L128-L179 HydrophobicContact CG-CD1 4.05Å; L179-E184 WeakPolarHBondContact CA-O 3.37Å; L179-V185 HydrophobicContact CD2-CB 4.44Å; L179-V185 HydrophobicContact CD2-CG1 4.21Å; L179-V185 HydrophobicContact CD2-CG2 3.8Å
180	T	62.7	Low	62.2	Low	4 Å²	4	48.3 Å²	48.3	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	165.7	-176.9	69.3	0	0	0	0	114.3	I119 K123 D182 F183 E184 Y186	I119-T180 HydrophobicContact CG2-CG2 4.17Å; K123-T180 HydrophobicContact CB-CG2 4.43Å; K123-T180 CarbonylContact O-C 3.55Å; K123-T180 WeakPolarHBondContact O-CA 3.28Å; K123-T180 VanDerWaalsContact O-CB 3.32Å; K123-T180 WeakPolarHBondContact O-CB 3.45Å; T180-D182 PolarHBondContact O-N 2.83Å; T180-D182 VanDerWaalsContact O-N 3.1Å; T180-D182 PolarHBondContact OG1-N 3.46Å; T180-F183 WeakPolarHBondContact O-CA 3.11Å; T180-F183 PolarHBondContact O-N 2.91Å; T180-E184 WeakPolarHBondContact CB-OE2 3.45Å; T180-E184 HydrophobicContact CG2-CB 4.41Å; T180-E184 WeakPolarHBondContact CG2-OE2 3.18Å; T180-E184 PolarHBondContact N-O 3.21Å; T180-E184 VanDerWaalsContact N-O 3.12Å; T180-E184 VanDerWaalsContact OG1-CB 3.25Å; T180-E184 WeakPolarHBondContact OG1-CB 3.37Å; T180-E184 WeakPolarHBondContact OG1-CG 3.09Å; T180-E184 PolarHBondContact OG1-N 3.09Å; T180-E184 PolarHBondContact OG1-OE2 2.87Å; T180-Y186 HydrophobicContact CG2-CD2 4.24Å; T180-Y186 HydrophobicContact CG2-CE2 3.81Å
181	T	57.3	Low	62.7	Low	29 Å²	29	44.1 Å²	44.1	18%	0.178	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-21.1	169.5	49.5	0	0	0	0	114	K123 D125 F183 Y319	K123-T181 PolarHBondContact O-N 3.2Å; D125-T181 VanDerWaalsContact OD2-CA 3.24Å; D125-T181 WeakPolarHBondContact OD2-CA 3.06Å; D125-T181 WeakPolarHBondContact OD2-CG2 3.37Å; D125-T181 PolarHBondContact OD2-N 3.3Å; T181-F183 VanDerWaalsContact C-N 3.31Å; T181-Y319 HydrophobicContact CG2-CE1 3.67Å; T181-Y319 WeakPolarHBondContact CG2-OH 3.5Å
182	D	45.3	Very low	62.5	Low	84 Å²	84	43.7 Å²	43.7	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14	-175.8	-53.3	11.3	0	0	0	109.5	K123 T180 E184	K123-D182 VanDerWaalsContact CE-OD2 3.24Å; K123-D182 WeakPolarHBondContact CE-OD2 3.41Å; K123-D182 IonicContact NZ-OD2 3.24Å; K123-D182 PolarHBondContact NZ-OD2 3.42Å; T180-D182 PolarHBondContact O-N 2.83Å; T180-D182 VanDerWaalsContact O-N 3.1Å; T180-D182 PolarHBondContact OG1-N 3.46Å; D182-E184 HydrophobicContact CB-CG 4.16Å; D182-E184 PolarHBondContact O-N 3.42Å
183	F	51.3	Low	61.9	Low	155 Å²	155	46.7 Å²	46.7	68%	0.68	23%	0.231	S	C	*	.			trans	60.5	15.4	-177.2	-61.6	-81.9	0	0	0	115.8	T180 T181	T180-F183 WeakPolarHBondContact O-CA 3.11Å; T180-F183 PolarHBondContact O-N 2.91Å; T181-F183 VanDerWaalsContact C-N 3.31Å
184	E	49.1	Very low	60.7	Low	51 Å²	51	51.3 Å²	51.3	24%	0.238	26%	0.255	C	S	.	.			trans	-69.6	140.1	177.3	-48.7	156.9	133.9	0	0	110.6	L179 T180 D182 Y186	L179-E184 WeakPolarHBondContact CA-O 3.37Å; T180-E184 WeakPolarHBondContact CB-OE2 3.45Å; T180-E184 HydrophobicContact CG2-CB 4.41Å; T180-E184 WeakPolarHBondContact CG2-OE2 3.18Å; T180-E184 PolarHBondContact N-O 3.21Å; T180-E184 VanDerWaalsContact N-O 3.12Å; T180-E184 VanDerWaalsContact OG1-CB 3.25Å; T180-E184 WeakPolarHBondContact OG1-CB 3.37Å; T180-E184 WeakPolarHBondContact OG1-CG 3.09Å; T180-E184 PolarHBondContact OG1-N 3.09Å; T180-E184 PolarHBondContact OG1-OE2 2.87Å; D182-E184 HydrophobicContact CB-CG 4.16Å; D182-E184 PolarHBondContact O-N 3.42Å; E184-Y186 HydrophobicContact CB-CD2 4.18Å; E184-Y186 HydrophobicContact CB-CE2 3.55Å; E184-Y186 HydrophobicContact CG-CE2 4.35Å; E184-Y186 PolarHBondContact OE1-OH 3Å; E184-Y186 PolarHBondContact OE2-OH 3.46Å
185	V	58.9	Low	59.4	Low	95 Å²	95	53.7 Å²	53.7	58%	0.576	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	92.1	-179	-166.4	0	0	0	0	111	L179 N187	L179-V185 HydrophobicContact CD2-CB 4.44Å; L179-V185 HydrophobicContact CD2-CG1 4.21Å; L179-V185 HydrophobicContact CD2-CG2 3.8Å; V185-N187 PolarHBondContact O-N 3.46Å
186	Y	63.6	Low	57.7	Low	41 Å²	41	58.5 Å²	58.5	16%	0.161	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	110	177.9	-58.1	-97.2	0	0	0	110.6	E104 I119 F177 I178 T180 E184 F188	E104-Y186 PolarHBondContact OE1-OH 2.66Å; I119-Y186 HydrophobicContact CD1-CD1 3.86Å; I119-Y186 HydrophobicContact CD1-CD2 3.75Å; I119-Y186 HydrophobicContact CD1-CE1 3.88Å; I119-Y186 HydrophobicContact CD1-CE2 3.78Å; I119-Y186 HydrophobicContact CD1-CG 3.79Å; I119-Y186 HydrophobicContact CG1-CE1 4.27Å; I119-Y186 HydrophobicContact CG1-CE2 4.21Å; F177-Y186 VanDerWaalsContact CA-O 3.31Å; F177-Y186 WeakPolarHBondContact CA-O 3.43Å; I178-Y186 HydrophobicContact CB-CD2 4.49Å; I178-Y186 PolarHBondContact N-O 3.28Å; I178-Y186 PolarHBondContact O-N 3.23Å; T180-Y186 HydrophobicContact CG2-CD2 4.24Å; T180-Y186 HydrophobicContact CG2-CE2 3.81Å; E184-Y186 HydrophobicContact CB-CD2 4.18Å; E184-Y186 HydrophobicContact CB-CE2 3.55Å; E184-Y186 HydrophobicContact CG-CE2 4.35Å; E184-Y186 PolarHBondContact OE1-OH 3Å; E184-Y186 PolarHBondContact OE2-OH 3.46Å; Y186-F188 HydrophobicContact CD1-CZ 4.4Å; Y186-F188 HydrophobicContact CG-CZ 4.45Å
187	N	66.5	Low	55.7	Low	76 Å²	76	64.3 Å²	64.3	41%	0.406	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	177.8	177.2	12.9	0	0	0	111.1	F177 V185	F177-N187 HydrophobicContact CD1-CB 3.86Å; F177-N187 HydrophobicContact CE1-CB 3.88Å; F177-N187 VanDerWaalsContact CE1-CG 3.42Å; F177-N187 WeakPolarHBondContact CE1-OD1 3.06Å; V185-N187 PolarHBondContact O-N 3.46Å
188	F	67.9	Low	53.5	Low	4 Å²	4	67.6 Å²	67.6	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.1	178.1	-55.3	-80.7	0	0	0	110.8	F53 V55 L66 F75 R175 L176 I178 Y186	F53-F188 HydrophobicContact CB-CB 4.12Å; F53-F188 HydrophobicContact CB-CD1 4.19Å; F53-F188 HydrophobicContact CD1-CD1 4.24Å; F53-F188 HydrophobicContact CD2-CD1 4.07Å; F53-F188 AromaticContact CG-CD1 3.91Å; F53-F188 HydrophobicContact CG-CD1 3.91Å; V55-F188 HydrophobicContact CG2-CD1 4Å; V55-F188 HydrophobicContact CG2-CE1 4.38Å; L66-F188 HydrophobicContact CD1-CD1 4.09Å; L66-F188 HydrophobicContact CD1-CD2 4.15Å; L66-F188 HydrophobicContact CD1-CE1 4.31Å; L66-F188 HydrophobicContact CD1-CE2 4.35Å; L66-F188 HydrophobicContact CD1-CG 4.01Å; L66-F188 HydrophobicContact CD1-CZ 4.43Å; L66-F188 HydrophobicContact CD2-CE1 4.18Å; L66-F188 HydrophobicContact CD2-CE2 4.44Å; L66-F188 HydrophobicContact CD2-CZ 4.01Å; L66-F188 HydrophobicContact CG-CE1 4.46Å; F75-F188 AromaticContact CD2-CE1 3.86Å; F75-F188 HydrophobicContact CD2-CE1 3.86Å; F75-F188 HydrophobicContact CD2-CZ 4.49Å; F75-F188 AromaticContact CE2-CE1 3.93Å; F75-F188 HydrophobicContact CE2-CE1 3.93Å; R175-F188 VanDerWaalsContact CA-O 3.3Å; R175-F188 WeakPolarHBondContact CA-O 3.41Å; L176-F188 HydrophobicContact CB-CB 4.4Å; L176-F188 HydrophobicContact CD2-CD2 4.41Å; L176-F188 PolarHBondContact N-O 3.47Å; L176-F188 PolarHBondContact O-N 3.29Å; I178-F188 HydrophobicContact CD1-CD2 4.5Å; I178-F188 HydrophobicContact CD1-CE2 3.78Å; I178-F188 HydrophobicContact CG1-CD2 4.46Å; I178-F188 HydrophobicContact CG1-CE2 4.01Å; Y186-F188 HydrophobicContact CD1-CZ 4.4Å; Y186-F188 HydrophobicContact CG-CZ 4.45Å
189	Q	65	Low	51.2	Low	68 Å²	68	76.7 Å²	76.7	32%	0.318	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.6	166.4	-176	160	-79.5	0	0	108.7	F53 E54 C191	F53-Q189 CarbonylContact C-O 3.6Å; F53-Q189 VanDerWaalsContact CA-O 3.29Å; F53-Q189 WeakPolarHBondContact CA-O 3.49Å; E54-Q189 HydrophobicContact CB-CB 4.32Å; E54-Q189 PolarHBondContact N-O 3.25Å; E54-Q189 VanDerWaalsContact O-CB 3.3Å; E54-Q189 WeakPolarHBondContact O-CB 3.46Å; E54-Q189 PolarHBondContact O-N 3.44Å; E54-Q189 PolarHBondContact OE2-NE2 3.17Å; Q189-C191 PolarHBondContact O-N 3.08Å
190	L	65.1	Low	49.5	Very low	13 Å²	13	79 Å²	79	7%	0.068	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.7	-173.5	-72	167.8	0	0	0	110.7	P173 S174 L176 Y192 I219	P173-L190 HydrophobicContact CB-CD1 3.73Å; P173-L190 HydrophobicContact CG-CD1 3.96Å; P173-L190 VanDerWaalsContact O-CD1 3.31Å; P173-L190 WeakPolarHBondContact O-CD1 3.27Å; S174-L190 PolarHBondContact O-N 2.85Å; L176-L190 HydrophobicContact CB-CD1 4.34Å; L190-Y192 PolarHBondContact O-N 3.4Å; L190-Y192 VanDerWaalsContact O-N 3.1Å; L190-I219 HydrophobicContact CD1-CG2 4.44Å; L190-I219 HydrophobicContact CD2-CG2 4.37Å
191	C	58.2	Low	48	Very low	8 Å²	8	83.9 Å²	83.9	5%	0.054	42%	0.422	C	S	.	.			trans	-74.5	101.4	-176.7	-76.6	0	0	0	0	111.8	C52 F53 E54 Q189	C52-C191 HydrophobicContact CB-CB 4.24Å; C52-C191 PolarHBondContact O-N 2.96Å; F53-C191 VanDerWaalsContact C-SG 3.51Å; E54-C191 WeakPolarHBondContact CB-SG 3.22Å; Q189-C191 PolarHBondContact O-N 3.08Å
192	Y	52.4	Low	47	Very low	58 Å²	58	89.9 Å²	89.9	23%	0.227	45%	0.453	C	S	.	.	S	Bend	trans	-79.3	-38.5	172.4	-78.5	-62.5	0	0	0	114.2	T172 P173 L190 I219	T172-Y192 WeakPolarHBondContact CB-OH 3.34Å; P173-Y192 VanDerWaalsContact CD-OH 3.24Å; P173-Y192 WeakPolarHBondContact CD-OH 3.03Å; P173-Y192 VanDerWaalsContact O-CE2 3.26Å; P173-Y192 WeakPolarHBondContact O-CE2 3.28Å; P173-Y192 PolarHBondContact O-OH 3.49Å; L190-Y192 PolarHBondContact O-N 3.4Å; L190-Y192 VanDerWaalsContact O-N 3.1Å; Y192-I219 HydrophobicContact CD1-CD1 4.29Å; Y192-I219 HydrophobicContact CE1-CD1 4.1Å
193	D	43.7	Very low	46.5	Very low	87 Å²	87	89.7 Å²	89.7	47%	0.465	45%	0.451	S	S	.	.	S	Bend	trans	-138.1	-9.7	-169.6	-75.4	-48.3	0	0	0	115.7	R212	D193-R212 WeakPolarHBondContact OD1-CD 3.46Å; D193-R212 WeakPolarHBondContact OD1-CG 3.45Å; D193-R212 IonicContact OD1-CZ 3.99Å; D193-R212 IonicContact OD1-NE 3.25Å; D193-R212 PolarHBondContact OD1-NE 3.39Å; D193-R212 VanDerWaalsContact OD1-NE 3.15Å; D193-R212 IonicContact OD1-NH1 2.69Å; D193-R212 PolarHBondContact OD1-NH1 2.9Å; D193-R212 IonicContact OD2-CZ 3.84Å; D193-R212 IonicContact OD2-NH1 2.82Å; D193-R212 PolarHBondContact OD2-NH1 3.01Å
194	N	40.2	Very low	45.8	Very low	99 Å²	99	86 Å²	86	53%	0.529	44%	0.441	S	S	.	.			trans	-90.5	-5	-161	-77.4	-0.2	0	0	0	117.2	K196	N194-K196 PolarHBondContact O-N 3.42Å
195	L	39.3	Very low	45.5	Very low	82 Å²	82	87.9 Å²	87.9	43%	0.429	46%	0.461	S	S	.	.			trans	-70.9	89.9	175.3	-83.8	171.7	0	0	0	110.7	C52 Y63 L197	C52-L195 HydrophobicContact CB-CD1 3.92Å; Y63-L195 HydrophobicContact CD1-CD2 4.36Å; Y63-L195 HydrophobicContact CG-CD2 4.3Å; L195-L197 PolarHBondContact O-N 3.23Å
196	K	33	Very low	44.7	Very low	188 Å²	188	91.2 Å²	91.2	82%	0.817	47%	0.467	S	S	*	.			trans	-67.4	77.4	170.4	-77.1	-175.1	176	177	0	110.9	N194 I198	N194-K196 PolarHBondContact O-N 3.42Å; K196-I198 PolarHBondContact O-N 3.19Å
197	L	33.5	Very low	43.5	Very low	123 Å²	123	92.8 Å²	92.8	64%	0.644	48%	0.476	S	S	*	.			trans	-62	100.9	162.4	-80	163.6	0	0	0	108.7	L195 I200	L195-L197 PolarHBondContact O-N 3.23Å; L197-I200 HydrophobicContact CB-CD1 4.06Å; L197-I200 HydrophobicContact CB-CG1 4.46Å
198	I	27.9	Very low	42.1	Very low	112 Å²	112	91.6 Å²	91.6	57%	0.574	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	136.5	-179.2	-67.2	172.2	0	0	0	109.1	K196	K196-I198 PolarHBondContact O-N 3.19Å
199	K	26.7	Very low	41	Very low	192 Å²	192	95.9 Å²	95.9	84%	0.835	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	47.8	-169.1	-61.4	-172	176.3	-176.9	0	116.6
200	I	33	Very low	40.1	Very low	89 Å²	89	97.1 Å²	97.1	46%	0.456	50%	0.504	S	S	.	.			trans	-97.3	80.8	148.4	-57.7	176.6	0	0	0	109	L197 L203	L197-I200 HydrophobicContact CB-CD1 4.06Å; L197-I200 HydrophobicContact CB-CG1 4.46Å; I200-L203 HydrophobicContact CD1-CD1 4.36Å; I200-L203 HydrophobicContact CG2-CB 3.7Å; I200-L203 HydrophobicContact CG2-CD1 3.81Å; I200-L203 HydrophobicContact CG2-CG 3.84Å
201	S	31	Very low	38.9	Very low	107 Å²	107	99.9 Å²	99.9	75%	0.748	52%	0.519	S	S	*	.			trans	-109.8	16.4	169.7	61.8	0	0	0	0	112.2
202	L	36.1	Very low	38.3	Very low	156 Å²	156	105.6 Å²	105.6	82%	0.817	54%	0.539	S	S	*	.	S	Bend	trans	-138.9	-2.6	-164.4	-96.6	156.4	0	0	0	114.3
203	L	33.8	Very low	38.2	Very low	80 Å²	80	110.3 Å²	110.3	42%	0.419	56%	0.561	S	S	.	*			trans	-103.2	133.5	175.9	-65	179.2	0	0	0	110.8	I200 E207 L211	I200-L203 HydrophobicContact CD1-CD1 4.36Å; I200-L203 HydrophobicContact CG2-CB 3.7Å; I200-L203 HydrophobicContact CG2-CD1 3.81Å; I200-L203 HydrophobicContact CG2-CG 3.84Å; L203-E207 HydrophobicContact CB-CB 4.03Å; L203-E207 HydrophobicContact CD2-CB 4.2Å; L203-E207 HydrophobicContact CD2-CG 4.45Å; L203-E207 WeakPolarHBondContact CD2-OE1 3.45Å; L203-L211 HydrophobicContact CD1-CD1 4.31Å
204	T	37.6	Very low	38.8	Very low	76 Å²	76	109.5 Å²	109.5	47%	0.466	56%	0.557	S	S	.	*			trans	-71.3	166.5	179.8	65.8	0	0	0	0	112.6	K206 E207 S208	T204-K206 PolarHBondContact O-N 3.28Å; T204-K206 PolarHBondContact OG1-N 3.19Å; T204-E207 VanDerWaalsContact CB-OE2 3.26Å; T204-E207 WeakPolarHBondContact CB-OE2 3.32Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.39Å; T204-E207 PolarHBondContact N-OE2 3.46Å; T204-E207 PolarHBondContact O-N 3.01Å; T204-E207 PolarHBondContact OG1-N 3.27Å; T204-E207 PolarHBondContact OG1-OE2 3.19Å; T204-S208 PolarHBondContact O-N 2.85Å; T204-S208 VanDerWaalsContact O-N 3.07Å
205	S	43	Very low	39.4	Very low	92 Å²	92	106.8 Å²	106.8	64%	0.643	54%	0.542	S	S	*	.	H	α-helix	trans	-60.7	-21.6	173	59.1	0	0	0	0	113.7	S208 N209	S205-S208 PolarHBondContact O-OG 3.5Å; S205-N209 PolarHBondContact O-ND2 2.88Å
206	K	41.9	Very low	40.2	Very low	164 Å²	164	107.7 Å²	107.7	71%	0.713	54%	0.542	S	S	*	.	H	α-helix	trans	-72.5	-45	170.7	-72.4	-178.6	177.8	176.1	0	111	T204 N209 I210	T204-K206 PolarHBondContact O-N 3.28Å; T204-K206 PolarHBondContact OG1-N 3.19Å; K206-N209 PolarHBondContact O-N 3.07Å; K206-I210 WeakPolarHBondContact O-CG1 3.44Å; K206-I210 PolarHBondContact O-N 3.37Å
207	E	37.2	Very low	41.6	Very low	75 Å²	75	101.3 Å²	101.3	35%	0.35	52%	0.522	S	S	.	.	H	α-helix	trans	-68.5	-38.5	-177.4	-72.1	157.3	117.3	0	0	112.3	L203 T204 N209 I210 L211	L203-E207 HydrophobicContact CB-CB 4.03Å; L203-E207 HydrophobicContact CD2-CB 4.2Å; L203-E207 HydrophobicContact CD2-CG 4.45Å; L203-E207 WeakPolarHBondContact CD2-OE1 3.45Å; T204-E207 VanDerWaalsContact CB-OE2 3.26Å; T204-E207 WeakPolarHBondContact CB-OE2 3.32Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.39Å; T204-E207 PolarHBondContact N-OE2 3.46Å; T204-E207 PolarHBondContact O-N 3.01Å; T204-E207 PolarHBondContact OG1-N 3.27Å; T204-E207 PolarHBondContact OG1-OE2 3.19Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.28Å; E207-I210 WeakPolarHBondContact O-CB 3.19Å; E207-I210 PolarHBondContact O-N 3.18Å; E207-L211 WeakPolarHBondContact O-CB 3.42Å; E207-L211 PolarHBondContact O-N 2.81Å
208	S	37.5	Very low	42.8	Very low	50 Å²	50	98.2 Å²	98.2	35%	0.35	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-36.8	173.2	71	0	0	0	0	112.5	T204 S205 L211 R212	T204-S208 PolarHBondContact O-N 2.85Å; T204-S208 VanDerWaalsContact O-N 3.07Å; S205-S208 PolarHBondContact O-OG 3.5Å; S208-L211 PolarHBondContact O-N 3Å; S208-R212 WeakPolarHBondContact O-CG 3.38Å; S208-R212 PolarHBondContact O-N 3.16Å
209	N	44.8	Very low	44.6	Very low	94 Å²	94	93 Å²	93	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-69.3	-33.8	173.7	-84.3	-63	0	0	0	113.2	S205 K206 E207 K213	S205-N209 PolarHBondContact O-ND2 2.88Å; K206-N209 PolarHBondContact O-N 3.07Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.28Å; N209-K213 WeakPolarHBondContact O-CG 3.44Å; N209-K213 PolarHBondContact O-N 3.37Å; N209-K213 VanDerWaalsContact O-N 3.13Å
210	I	46.7	Very low	46.4	Very low	94 Å²	94	85.6 Å²	85.6	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-65.6	-44	170.2	-68.7	163.3	0	0	0	109.9	K206 E207 K213 N214	K206-I210 WeakPolarHBondContact O-CG1 3.44Å; K206-I210 PolarHBondContact O-N 3.37Å; E207-I210 WeakPolarHBondContact O-CB 3.19Å; E207-I210 PolarHBondContact O-N 3.18Å; I210-K213 WeakPolarHBondContact O-CB 3.49Å; I210-K213 PolarHBondContact O-N 3.2Å; I210-N214 WeakPolarHBondContact O-CB 3.31Å; I210-N214 PolarHBondContact O-N 2.85Å; I210-N214 PolarHBondContact O-OD1 3.33Å
211	L	39.3	Very low	48	Very low	72 Å²	72	84.5 Å²	84.5	38%	0.377	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-43.6	-179	-147.3	160.1	0	0	0	111.5	L203 E207 S208 K213 N214 I215	L203-L211 HydrophobicContact CD1-CD1 4.31Å; E207-L211 WeakPolarHBondContact O-CB 3.42Å; E207-L211 PolarHBondContact O-N 2.81Å; S208-L211 PolarHBondContact O-N 3Å; L211-K213 PolarHBondContact O-N 3.33Å; L211-N214 WeakPolarHBondContact O-CB 3.21Å; L211-N214 PolarHBondContact O-N 3.3Å; L211-I215 HydrophobicContact CD2-CD1 3.63Å; L211-I215 HydrophobicContact CD2-CG1 4.09Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 2.96Å
212	R	45	Very low	49.9	Very low	127 Å²	127	79.6 Å²	79.6	48%	0.479	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-41.6	171.9	-68.9	-176.9	-166.1	-135.6	8.8	113	D193 S208 N214 I215 K216	D193-R212 WeakPolarHBondContact OD1-CD 3.46Å; D193-R212 WeakPolarHBondContact OD1-CG 3.45Å; D193-R212 IonicContact OD1-CZ 3.99Å; D193-R212 IonicContact OD1-NE 3.25Å; D193-R212 PolarHBondContact OD1-NE 3.39Å; D193-R212 VanDerWaalsContact OD1-NE 3.15Å; D193-R212 IonicContact OD1-NH1 2.69Å; D193-R212 PolarHBondContact OD1-NH1 2.9Å; D193-R212 IonicContact OD2-CZ 3.84Å; D193-R212 IonicContact OD2-NH1 2.82Å; D193-R212 PolarHBondContact OD2-NH1 3.01Å; S208-R212 WeakPolarHBondContact O-CG 3.38Å; S208-R212 PolarHBondContact O-N 3.16Å; R212-N214 VanDerWaalsContact C-N 3.31Å; R212-N214 PolarHBondContact O-N 2.88Å; R212-I215 PolarHBondContact O-N 2.9Å; R212-K216 PolarHBondContact O-N 3.28Å
213	K	51.5	Low	51.6	Low	157 Å²	157	72.3 Å²	72.3	68%	0.683	37%	0.37	S	S	*	.	H	α-helix	trans	-60.9	-40.6	173.2	-78.2	177.1	179	-179.4	0	111.4	N209 I210 L211 S217	N209-K213 WeakPolarHBondContact O-CG 3.44Å; N209-K213 PolarHBondContact O-N 3.37Å; N209-K213 VanDerWaalsContact O-N 3.13Å; I210-K213 WeakPolarHBondContact O-CB 3.49Å; I210-K213 PolarHBondContact O-N 3.2Å; L211-K213 PolarHBondContact O-N 3.33Å; K213-S217 WeakPolarHBondContact O-CB 3.49Å; K213-S217 PolarHBondContact O-N 3.27Å
214	N	55	Low	53.5	Low	71 Å²	71	70.6 Å²	70.6	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-68.1	-42.2	177.6	-68.6	-12.2	0	0	0	112.3	I210 L211 R212 S217 N218	I210-N214 WeakPolarHBondContact O-CB 3.31Å; I210-N214 PolarHBondContact O-N 2.85Å; I210-N214 PolarHBondContact O-OD1 3.33Å; L211-N214 WeakPolarHBondContact O-CB 3.21Å; L211-N214 PolarHBondContact O-N 3.3Å; R212-N214 VanDerWaalsContact C-N 3.31Å; R212-N214 PolarHBondContact O-N 2.88Å; N214-S217 WeakPolarHBondContact O-CB 3.45Å; N214-S217 PolarHBondContact O-N 2.78Å; N214-N218 WeakPolarHBondContact O-CB 3.37Å; N214-N218 PolarHBondContact O-N 3.25Å; N214-N218 PolarHBondContact O-OD1 3.46Å
215	I	53	Low	55	Low	42 Å²	42	68.2 Å²	68.2	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-50.4	173.8	-70	165.5	0	0	0	110.5	L211 R212 S217 N218 I219	L211-I215 HydrophobicContact CD2-CD1 3.63Å; L211-I215 HydrophobicContact CD2-CG1 4.09Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 2.96Å; R212-I215 PolarHBondContact O-N 2.9Å; I215-S217 VanDerWaalsContact C-N 3.29Å; I215-S217 PolarHBondContact O-N 2.88Å; I215-N218 PolarHBondContact O-N 3.05Å; I215-I219 HydrophobicContact CG2-CD1 3.81Å; I215-I219 HydrophobicContact CG2-CG1 4.49Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.37Å
216	K	56.8	Low	56.7	Low	100 Å²	100	63.9 Å²	63.9	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-37	177.6	-176.3	169.6	177.1	169.8	0	112.3	T172 R212 N220	T172-K216 HydrophobicContact CG2-CD 4.43Å; R212-K216 PolarHBondContact O-N 3.28Å; K216-N220 VanDerWaalsContact O-CB 3.28Å; K216-N220 WeakPolarHBondContact O-CB 3.13Å; K216-N220 PolarHBondContact O-N 3.19Å; K216-N220 PolarHBondContact O-ND2 3.31Å; K216-N220 PolarHBondContact O-OD1 2.91Å
217	S	62.8	Low	58.4	Low	55 Å²	55	56.3 Å²	56.3	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-47.8	172.9	-166.7	0	0	0	0	111.6	K213 N214 I215 N220 L221	K213-S217 WeakPolarHBondContact O-CB 3.49Å; K213-S217 PolarHBondContact O-N 3.27Å; N214-S217 WeakPolarHBondContact O-CB 3.45Å; N214-S217 PolarHBondContact O-N 2.78Å; I215-S217 VanDerWaalsContact C-N 3.29Å; I215-S217 PolarHBondContact O-N 2.88Å; S217-N220 CarbonylContact O-C 3.59Å; S217-N220 WeakPolarHBondContact O-CB 3.48Å; S217-N220 PolarHBondContact O-N 3.01Å; S217-L221 WeakPolarHBondContact O-CB 3.41Å; S217-L221 VanDerWaalsContact O-CG 3.22Å; S217-L221 WeakPolarHBondContact O-CG 3.45Å; S217-L221 PolarHBondContact O-N 2.8Å
218	N	58.3	Low	60.3	Low	58 Å²	58	59.3 Å²	59.3	31%	0.31	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-43.8	-176.3	-69.3	-8.4	0	0	0	112.7	N214 I215 N220 L221 F222	N214-N218 WeakPolarHBondContact O-CB 3.37Å; N214-N218 PolarHBondContact O-N 3.25Å; N214-N218 PolarHBondContact O-OD1 3.46Å; I215-N218 PolarHBondContact O-N 3.05Å; N218-N220 VanDerWaalsContact C-N 3.33Å; N218-N220 PolarHBondContact O-N 3.12Å; N218-L221 CarbonylContact O-C 3.59Å; N218-L221 PolarHBondContact O-N 3.03Å; N218-F222 WeakPolarHBondContact O-CB 3.23Å; N218-F222 PolarHBondContact O-N 3.18Å
219	I	64.8	Low	61.9	Low	3 Å²	3	59.7 Å²	59.7	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-45.6	173.3	-66.7	170	0	0	0	110.2	L190 Y192 I215 L221 F222 I223	L190-I219 HydrophobicContact CD1-CG2 4.44Å; L190-I219 HydrophobicContact CD2-CG2 4.37Å; Y192-I219 HydrophobicContact CD1-CD1 4.29Å; Y192-I219 HydrophobicContact CE1-CD1 4.1Å; I215-I219 HydrophobicContact CG2-CD1 3.81Å; I215-I219 HydrophobicContact CG2-CG1 4.49Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.37Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.37Å; I219-F222 PolarHBondContact O-N 3.4Å; I219-I223 HydrophobicContact CG2-CD1 3.86Å; I219-I223 WeakPolarHBondContact O-CG1 3.28Å; I219-I223 PolarHBondContact O-N 3.37Å
220	N	65.7	Low	63.3	Low	36 Å²	36	55.3 Å²	55.3	19%	0.193	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-35.2	176.6	-76.4	0.9	0	0	0	112.8	L168 K216 S217 N218 N224	L168-N220 HydrophobicContact CD1-CB 3.81Å; L168-N220 HydrophobicContact CD2-CB 3.84Å; K216-N220 VanDerWaalsContact O-CB 3.28Å; K216-N220 WeakPolarHBondContact O-CB 3.13Å; K216-N220 PolarHBondContact O-N 3.19Å; K216-N220 PolarHBondContact O-ND2 3.31Å; K216-N220 PolarHBondContact O-OD1 2.91Å; S217-N220 CarbonylContact O-C 3.59Å; S217-N220 WeakPolarHBondContact O-CB 3.48Å; S217-N220 PolarHBondContact O-N 3.01Å; N218-N220 VanDerWaalsContact C-N 3.33Å; N218-N220 PolarHBondContact O-N 3.12Å; N220-N224 VanDerWaalsContact O-CB 3.31Å; N220-N224 WeakPolarHBondContact O-CB 3.35Å; N220-N224 VanDerWaalsContact O-CG 3.28Å; N220-N224 PolarHBondContact O-N 2.94Å; N220-N224 PolarHBondContact O-ND2 3.36Å
221	L	66.8	Low	64.6	Low	66 Å²	66	51 Å²	51	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-75.7	-31.3	176.8	-74	167.3	0	0	0	112.7	R49 S217 N218 I219 S225	R49-L221 VanDerWaalsContact CD-O 3.24Å; R49-L221 WeakPolarHBondContact CD-O 3.48Å; R49-L221 PolarHBondContact NH1-O 2.96Å; S217-L221 WeakPolarHBondContact O-CB 3.41Å; S217-L221 VanDerWaalsContact O-CG 3.22Å; S217-L221 WeakPolarHBondContact O-CG 3.45Å; S217-L221 PolarHBondContact O-N 2.8Å; N218-L221 CarbonylContact O-C 3.59Å; N218-L221 PolarHBondContact O-N 3.03Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.37Å; L221-S225 WeakPolarHBondContact O-CB 3.26Å; L221-S225 PolarHBondContact O-N 3.19Å; L221-S225 PolarHBondContact O-OG 3.17Å
222	F	69.7	Low	66.3	Low	4 Å²	4	51.8 Å²	51.8	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-67.6	-54.8	172.3	172	-94.1	0	0	0	110.6	L66 L68 V73 L176 N218 I219 N224 S225 L226	L66-F222 HydrophobicContact CB-CE1 4.37Å; L66-F222 HydrophobicContact CB-CE2 4.07Å; L66-F222 HydrophobicContact CB-CZ 3.74Å; L66-F222 HydrophobicContact CD1-CE1 4.43Å; L66-F222 HydrophobicContact CD1-CZ 4.4Å; L66-F222 WeakPolarHBondContact O-CE2 3.38Å; L68-F222 HydrophobicContact CB-CD2 4.27Å; L68-F222 HydrophobicContact CB-CE2 4.02Å; V73-F222 HydrophobicContact CG1-CZ 4.27Å; L176-F222 HydrophobicContact CD2-CE1 4.5Å; N218-F222 WeakPolarHBondContact O-CB 3.23Å; N218-F222 PolarHBondContact O-N 3.18Å; I219-F222 PolarHBondContact O-N 3.4Å; F222-N224 VanDerWaalsContact C-N 3.32Å; F222-N224 PolarHBondContact O-N 3.37Å; F222-S225 PolarHBondContact O-N 3.02Å; F222-L226 HydrophobicContact CE1-CD2 4.06Å; F222-L226 HydrophobicContact CZ-CD2 4.34Å; F222-L226 PolarHBondContact O-N 2.93Å
223	I	73.7	Confident	67.3	Low	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-45.6	-179.7	-66.4	169.1	0	0	0	110.7	I129 W146 P173 I219 S225 L226 T227	I129-I223 HydrophobicContact CD1-CD1 4.14Å; I129-I223 HydrophobicContact CD1-CG2 3.98Å; W146-I223 HydrophobicContact CZ2-CG2 4.39Å; P173-I223 HydrophobicContact CB-CD1 4.39Å; P173-I223 HydrophobicContact CG-CD1 3.74Å; I219-I223 HydrophobicContact CG2-CD1 3.86Å; I219-I223 WeakPolarHBondContact O-CG1 3.28Å; I219-I223 PolarHBondContact O-N 3.37Å; I223-S225 PolarHBondContact O-N 3.48Å; I223-L226 PolarHBondContact O-N 3.44Å; I223-T227 HydrophobicContact CG2-CG2 4.46Å; I223-T227 PolarHBondContact O-N 2.94Å; I223-T227 PolarHBondContact O-OG1 2.99Å; I223-T227 VanDerWaalsContact O-OG1 3.08Å
224	N	72.5	Confident	67.9	Low	45 Å²	45	43.1 Å²	43.1	24%	0.241	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-18.7	176.7	-80.1	-41.9	0	0	0	115	L168 N220 F222 K228	L168-N224 VanDerWaalsContact CD1-ND2 3.31Å; L168-N224 WeakPolarHBondContact CD1-ND2 3.45Å; L168-N224 WeakPolarHBondContact CG-ND2 3.25Å; N220-N224 VanDerWaalsContact O-CB 3.31Å; N220-N224 WeakPolarHBondContact O-CB 3.35Å; N220-N224 VanDerWaalsContact O-CG 3.28Å; N220-N224 PolarHBondContact O-N 2.94Å; N220-N224 PolarHBondContact O-ND2 3.36Å; F222-N224 VanDerWaalsContact C-N 3.32Å; F222-N224 PolarHBondContact O-N 3.37Å; N224-K228 WeakPolarHBondContact O-CD 3.28Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å
225	S	69.8	Low	68.2	Low	26 Å²	26	46.6 Å²	46.6	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-91.7	-34.9	173.6	-79.3	0	0	0	0	111.7	R49 L68 L221 F222 I223 R229	R49-S225 PolarHBondContact NH1-OG 3.35Å; L68-S225 VanDerWaalsContact CD2-CB 3.47Å; L221-S225 WeakPolarHBondContact O-CB 3.26Å; L221-S225 PolarHBondContact O-N 3.19Å; L221-S225 PolarHBondContact O-OG 3.17Å; F222-S225 PolarHBondContact O-N 3.02Å; I223-S225 PolarHBondContact O-N 3.48Å; S225-R229 PolarHBondContact O-N 3.44Å
226	L	77.4	Confident	68.1	Low	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-53.7	173.7	178.8	61.5	0	0	0	111	L68 V73 L121 I124 L127 F222 I223 K228 R229 I230	L68-L226 HydrophobicContact CD1-CB 4.35Å; L68-L226 HydrophobicContact CD1-CD1 3.8Å; V73-L226 HydrophobicContact CG2-CD1 3.66Å; L121-L226 HydrophobicContact CD2-CD1 3.61Å; I124-L226 HydrophobicContact CD1-CD1 4.47Å; L127-L226 HydrophobicContact CD1-CD2 4.05Å; L127-L226 HydrophobicContact CD2-CD2 4.08Å; L127-L226 HydrophobicContact CD2-CG 4.39Å; F222-L226 HydrophobicContact CE1-CD2 4.06Å; F222-L226 HydrophobicContact CZ-CD2 4.34Å; F222-L226 PolarHBondContact O-N 2.93Å; I223-L226 PolarHBondContact O-N 3.44Å; L226-K228 VanDerWaalsContact C-N 3.32Å; L226-K228 PolarHBondContact O-N 2.99Å; L226-R229 PolarHBondContact O-N 3.48Å; L226-R229 VanDerWaalsContact O-N 3.15Å; L226-I230 HydrophobicContact CD1-CD1 3.79Å; L226-I230 HydrophobicContact CD1-CG1 4.18Å; L226-I230 HydrophobicContact CG-CD1 3.84Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.12Å
227	T	78.5	Confident	67.5	Low	5 Å²	5	43.5 Å²	43.5	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-43.9	178.1	52.3	0	0	0	0	112.1	L127 F139 W146 I223 R229 I230 S231	L127-T227 HydrophobicContact CD2-CG2 4Å; F139-T227 HydrophobicContact CD1-CG2 4.35Å; F139-T227 HydrophobicContact CD2-CG2 3.84Å; F139-T227 HydrophobicContact CE1-CG2 4.21Å; F139-T227 HydrophobicContact CE2-CG2 3.71Å; F139-T227 HydrophobicContact CG-CG2 4.19Å; F139-T227 VanDerWaalsContact CZ-CB 3.47Å; F139-T227 HydrophobicContact CZ-CG2 3.91Å; F139-T227 WeakPolarHBondContact CZ-O 3.24Å; W146-T227 HydrophobicContact CZ2-CG2 3.6Å; I223-T227 HydrophobicContact CG2-CG2 4.46Å; I223-T227 PolarHBondContact O-N 2.94Å; I223-T227 PolarHBondContact O-OG1 2.99Å; I223-T227 VanDerWaalsContact O-OG1 3.08Å; T227-R229 PolarHBondContact O-N 3.21Å; T227-I230 PolarHBondContact O-N 3.47Å; T227-S231 VanDerWaalsContact O-CB 3.29Å; T227-S231 WeakPolarHBondContact O-CB 3.34Å; T227-S231 PolarHBondContact O-N 2.89Å
228	K	76.5	Confident	66.4	Low	137 Å²	137	42.6 Å²	42.6	60%	0.596	21%	0.211	S	C	*	.	H	α-helix	trans	-60.3	-43.7	175.4	-79.8	-175.4	177.5	-161.5	0	113.1	N224 L226 H232	N224-K228 WeakPolarHBondContact O-CD 3.28Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; L226-K228 VanDerWaalsContact C-N 3.32Å; L226-K228 PolarHBondContact O-N 2.99Å; K228-H232 WeakPolarHBondContact O-CB 3.5Å; K228-H232 PolarHBondContact O-N 2.96Å
229	R	71.7	Confident	65.3	Low	59 Å²	59	45.2 Å²	45.2	22%	0.223	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-42	178.2	-81	-168.8	165.9	137.5	3.1	112.4	S69 N70 L121 S225 L226 T227 S231 H232 I233	S69-R229 VanDerWaalsContact C-NH1 3.34Å; S69-R229 PolarHBondContact O-NH1 3.25Å; N70-R229 PolarHBondContact OD1-NH2 3.29Å; L121-R229 HydrophobicContact CD1-CB 3.91Å; S225-R229 PolarHBondContact O-N 3.44Å; L226-R229 PolarHBondContact O-N 3.48Å; L226-R229 VanDerWaalsContact O-N 3.15Å; T227-R229 PolarHBondContact O-N 3.21Å; R229-S231 VanDerWaalsContact C-N 3.34Å; R229-S231 PolarHBondContact O-N 2.97Å; R229-H232 WeakPolarHBondContact O-CB 3.25Å; R229-H232 PolarHBondContact O-N 2.94Å; R229-I233 WeakPolarHBondContact O-CG1 3.38Å; R229-I233 PolarHBondContact O-N 3.35Å
230	I	74.6	Confident	64.4	Low	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-44.7	174.9	-60.7	166.4	0	0	0	110.1	L121 I124 L127 F139 P141 L226 T227 H232 I233 R234	L121-I230 HydrophobicContact CD2-CG1 4.08Å; I124-I230 HydrophobicContact CB-CD1 4.33Å; I124-I230 HydrophobicContact CD1-CD1 3.95Å; I124-I230 HydrophobicContact CD1-CG1 4.33Å; I124-I230 HydrophobicContact CG2-CD1 3.96Å; L127-I230 HydrophobicContact CD2-CD1 4.38Å; F139-I230 HydrophobicContact CE1-CB 4.21Å; F139-I230 HydrophobicContact CE1-CG2 4.22Å; P141-I230 HydrophobicContact CB-CG2 3.79Å; L226-I230 HydrophobicContact CD1-CD1 3.79Å; L226-I230 HydrophobicContact CD1-CG1 4.18Å; L226-I230 HydrophobicContact CG-CD1 3.84Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.12Å; T227-I230 PolarHBondContact O-N 3.47Å; I230-H232 VanDerWaalsContact C-N 3.34Å; I230-H232 PolarHBondContact O-N 2.76Å; I230-I233 PolarHBondContact O-N 2.99Å; I230-R234 HydrophobicContact CG2-CG 4.42Å; I230-R234 WeakPolarHBondContact O-CG 3.44Å; I230-R234 PolarHBondContact O-N 2.76Å
231	S	74.2	Confident	63.5	Low	3 Å²	3	49 Å²	49	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-33.9	177	-174.1	0	0	0	0	113	P141 N144 T227 R229 R235	P141-S231 VanDerWaalsContact O-CA 3.25Å; P141-S231 WeakPolarHBondContact O-CA 3.4Å; P141-S231 WeakPolarHBondContact O-CB 3.12Å; P141-S231 PolarHBondContact O-OG 3.08Å; N144-S231 WeakPolarHBondContact CB-OG 3.35Å; T227-S231 VanDerWaalsContact O-CB 3.29Å; T227-S231 WeakPolarHBondContact O-CB 3.34Å; T227-S231 PolarHBondContact O-N 2.89Å; R229-S231 VanDerWaalsContact C-N 3.34Å; R229-S231 PolarHBondContact O-N 2.97Å; S231-R235 VanDerWaalsContact O-CB 3.28Å; S231-R235 WeakPolarHBondContact O-CB 3.12Å; S231-R235 WeakPolarHBondContact O-CD 3.13Å; S231-R235 WeakPolarHBondContact O-CG 3.46Å; S231-R235 PolarHBondContact O-N 3.44Å; S231-R235 VanDerWaalsContact O-N 3.13Å; S231-R235 PolarHBondContact OG-NE 3.47Å
232	H	73.1	Confident	62.1	Low	89 Å²	89	47.9 Å²	47.9	41%	0.412	24%	0.237	S	C	.	.	H	α-helix	trans	-58.5	-55.9	171	-163.6	-104.2	0	0	0	110.3	K228 R229 I230 R234 R235 S236 E244	K228-H232 WeakPolarHBondContact O-CB 3.5Å; K228-H232 PolarHBondContact O-N 2.96Å; R229-H232 WeakPolarHBondContact O-CB 3.25Å; R229-H232 PolarHBondContact O-N 2.94Å; I230-H232 VanDerWaalsContact C-N 3.34Å; I230-H232 PolarHBondContact O-N 2.76Å; H232-R234 VanDerWaalsContact C-N 3.3Å; H232-R234 PolarHBondContact O-N 2.82Å; H232-R235 PolarHBondContact O-N 3.19Å; H232-S236 WeakPolarHBondContact O-CB 3.33Å; H232-S236 PolarHBondContact O-N 3.07Å; H232-S236 PolarHBondContact O-OG 3.14Å; H232-E244 IonicContact CE1-OE1 3.68Å; H232-E244 PolarHBondContact CE1-OE1 3.04Å; H232-E244 IonicContact CE1-OE2 3.27Å; H232-E244 PolarHBondContact CE1-OE2 3.39Å; H232-E244 VanDerWaalsContact CE1-OE2 3.24Å; H232-E244 IonicContact ND1-OE2 3.75Å; H232-E244 IonicContact NE2-OE1 3.56Å
233	I	66	Low	60.9	Low	23 Å²	23	50.8 Å²	50.8	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-32.8	-176.7	-69.5	165.4	0	0	0	112.8	W71 L121 R229 I230 S236 L241	W71-I233 HydrophobicContact CE3-CD1 4.14Å; W71-I233 HydrophobicContact CZ3-CD1 4.23Å; W71-I233 HydrophobicContact CZ3-CG1 4.16Å; L121-I233 HydrophobicContact CB-CD1 3.5Å; L121-I233 VanDerWaalsContact CB-CD1 3.5Å; L121-I233 HydrophobicContact CD1-CD1 3.94Å; L121-I233 HydrophobicContact CG-CD1 4.38Å; R229-I233 WeakPolarHBondContact O-CG1 3.38Å; R229-I233 PolarHBondContact O-N 3.35Å; I230-I233 PolarHBondContact O-N 2.99Å; I233-S236 WeakPolarHBondContact CA-OG 3.48Å; I233-S236 PolarHBondContact O-OG 2.78Å; I233-L241 HydrophobicContact CB-CD1 4.46Å; I233-L241 HydrophobicContact CG1-CD2 4.04Å; I233-L241 HydrophobicContact CG2-CD1 4.01Å
234	R	64.9	Low	59.8	Low	79 Å²	79	54.6 Å²	54.6	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-85.9	-8.3	176.6	-66.5	-76.4	-176.8	157.5	0.2	114.2	I124 D125 P141 I230 H232 Y319	I124-R234 VanDerWaalsContact C-NH2 3.34Å; I124-R234 PolarHBondContact O-NH2 3.12Å; D125-R234 IonicContact OD1-CZ 3.19Å; D125-R234 IonicContact OD1-NH1 3.38Å; D125-R234 PolarHBondContact OD1-NH1 2.93Å; D125-R234 IonicContact OD1-NH2 2.78Å; D125-R234 PolarHBondContact OD1-NH2 3Å; P141-R234 HydrophobicContact CB-CB 4.06Å; P141-R234 HydrophobicContact CB-CG 3.92Å; P141-R234 HydrophobicContact CG-CB 4.41Å; P141-R234 HydrophobicContact CG-CG 4.11Å; I230-R234 HydrophobicContact CG2-CG 4.42Å; I230-R234 WeakPolarHBondContact O-CG 3.44Å; I230-R234 PolarHBondContact O-N 2.76Å; H232-R234 VanDerWaalsContact C-N 3.3Å; H232-R234 PolarHBondContact O-N 2.82Å; R234-Y319 PolarHBondContact NH1-OH 3.45Å
235	R	62.5	Low	58.5	Low	144 Å²	144	57 Å²	57	54%	0.543	28%	0.277	S	S	.	.	H	α-helix	trans	-103.5	-34.5	175.8	-75.9	175	170.9	-174.4	-1.9	113.6	I142 H143 S231 H232	I142-R235 VanDerWaalsContact O-CZ 3.23Å; I142-R235 PolarHBondContact O-NE 3.21Å; I142-R235 PolarHBondContact O-NH2 3Å; H143-R235 PolarHBondContact O-NH2 3.38Å; S231-R235 VanDerWaalsContact O-CB 3.28Å; S231-R235 WeakPolarHBondContact O-CB 3.12Å; S231-R235 WeakPolarHBondContact O-CD 3.13Å; S231-R235 WeakPolarHBondContact O-CG 3.46Å; S231-R235 PolarHBondContact O-N 3.44Å; S231-R235 VanDerWaalsContact O-N 3.13Å; S231-R235 PolarHBondContact OG-NE 3.47Å; H232-R235 PolarHBondContact O-N 3.19Å
236	S	50.8	Low	57.1	Low	20 Å²	20	57.8 Å²	57.8	14%	0.14	29%	0.285	C	S	.	.	S	Bend	trans	-63.4	142.3	176.3	51.2	0	0	0	0	111.9	H232 I233 L241	H232-S236 WeakPolarHBondContact O-CB 3.33Å; H232-S236 PolarHBondContact O-N 3.07Å; H232-S236 PolarHBondContact O-OG 3.14Å; I233-S236 WeakPolarHBondContact CA-OG 3.48Å; I233-S236 PolarHBondContact O-OG 2.78Å; S236-L241 WeakPolarHBondContact OG-CD1 3.47Å; S236-L241 WeakPolarHBondContact OG-CD2 3.13Å; S236-L241 WeakPolarHBondContact OG-CG 3.31Å
237	T	43.1	Very low	55.7	Low	57 Å²	57	61.7 Å²	61.7	35%	0.35	31%	0.305	S	S	.	.			trans	-69.6	157.8	164.3	58.2	0	0	0	0	110.4	Y239 L240 L241	T237-Y239 PolarHBondContact O-N 3.39Å; T237-L240 PolarHBondContact O-N 3.27Å; T237-L240 PolarHBondContact OG1-N 3.02Å; T237-L241 PolarHBondContact O-N 3.37Å; T237-L241 VanDerWaalsContact O-N 3.15Å
238	G	39	Very low	54	Low	35 Å²	35	65.3 Å²	65.3	36%	0.361	32%	0.321	S	S	.	.	H	α-helix	trans	-54.3	-35.4	173.9	0	0	0	0	0	112.8	L241 A242	G238-L241 PolarHBondContact O-N 2.96Å; G238-A242 VanDerWaalsContact O-CB 3.23Å; G238-A242 WeakPolarHBondContact O-CB 3.25Å; G238-A242 PolarHBondContact O-N 2.92Å
239	Y	36.1	Very low	52.1	Low	114 Å²	114	62 Å²	62	45%	0.447	31%	0.31	S	S	.	.	H	α-helix	trans	-58.4	-47.7	171.5	171.6	-99.3	0	0	0	113.3	T237 L241 A242 N243 E924	T237-Y239 PolarHBondContact O-N 3.39Å; Y239-L241 PolarHBondContact O-N 2.9Å; Y239-A242 PolarHBondContact O-N 3.47Å; Y239-N243 VanDerWaalsContact O-CB 3.32Å; Y239-N243 WeakPolarHBondContact O-CB 3.4Å; Y239-N243 PolarHBondContact O-N 3.48Å; Y239-E924 WeakPolarHBondContact CD2-OE1 3.49Å; Y239-E924 VanDerWaalsContact CE2-OE1 3.22Å; Y239-E924 WeakPolarHBondContact CE2-OE1 3.44Å
240	L	45.2	Very low	50.1	Low	88 Å²	88	63.7 Å²	63.7	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-41.9	178.6	-74.4	171.3	0	0	0	111.5	T237 N243 E244	T237-L240 PolarHBondContact O-N 3.27Å; T237-L240 PolarHBondContact OG1-N 3.02Å; L240-N243 PolarHBondContact O-N 2.85Å; L240-E244 PolarHBondContact O-N 3.19Å
241	L	47.2	Very low	48.1	Very low	29 Å²	29	67.9 Å²	67.9	15%	0.152	34%	0.343	C	S	.	.	H	α-helix	trans	-68.8	-40.4	177	-64.3	179.2	0	0	0	112.6	W71 I233 S236 T237 G238 Y239 N243 E244 Y245	W71-L241 HydrophobicContact CH2-CB 3.82Å; W71-L241 HydrophobicContact CH2-CD2 3.54Å; W71-L241 HydrophobicContact CH2-CG 4.2Å; W71-L241 HydrophobicContact CZ3-CB 4.19Å; W71-L241 HydrophobicContact CZ3-CD1 4.43Å; W71-L241 HydrophobicContact CZ3-CD2 3.75Å; W71-L241 HydrophobicContact CZ3-CG 4.34Å; I233-L241 HydrophobicContact CB-CD1 4.46Å; I233-L241 HydrophobicContact CG1-CD2 4.04Å; I233-L241 HydrophobicContact CG2-CD1 4.01Å; S236-L241 WeakPolarHBondContact OG-CD1 3.47Å; S236-L241 WeakPolarHBondContact OG-CD2 3.13Å; S236-L241 WeakPolarHBondContact OG-CG 3.31Å; T237-L241 PolarHBondContact O-N 3.37Å; T237-L241 VanDerWaalsContact O-N 3.15Å; G238-L241 PolarHBondContact O-N 2.96Å; Y239-L241 PolarHBondContact O-N 2.9Å; L241-N243 VanDerWaalsContact C-N 3.3Å; L241-N243 PolarHBondContact O-N 3.42Å; L241-E244 PolarHBondContact O-N 3.17Å; L241-Y245 WeakPolarHBondContact O-CB 3.47Å; L241-Y245 PolarHBondContact O-N 3.03Å
242	A	38	Very low	46.1	Very low	43 Å²	43	70.2 Å²	70.2	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-39.6	174.5	0	0	0	0	0	111.1	G238 Y239 Y245 A246	G238-A242 VanDerWaalsContact O-CB 3.23Å; G238-A242 WeakPolarHBondContact O-CB 3.25Å; G238-A242 PolarHBondContact O-N 2.92Å; Y239-A242 PolarHBondContact O-N 3.47Å; A242-Y245 PolarHBondContact O-N 3.35Å; A242-A246 WeakPolarHBondContact O-CB 3.11Å; A242-A246 PolarHBondContact O-N 3.28Å
243	N	43.9	Very low	44	Very low	66 Å²	66	70.9 Å²	70.9	35%	0.353	36%	0.363	S	S	.	.	H	α-helix	trans	-69.8	-45.5	177.2	-160.9	3.8	0	0	0	111.8	Y239 L240 L241 Y245 A246 I247	Y239-N243 VanDerWaalsContact O-CB 3.32Å; Y239-N243 WeakPolarHBondContact O-CB 3.4Å; Y239-N243 PolarHBondContact O-N 3.48Å; L240-N243 PolarHBondContact O-N 2.85Å; L241-N243 VanDerWaalsContact C-N 3.3Å; L241-N243 PolarHBondContact O-N 3.42Å; N243-Y245 VanDerWaalsContact C-N 3.32Å; N243-Y245 PolarHBondContact O-N 3.29Å; N243-A246 PolarHBondContact O-N 2.58Å; N243-I247 WeakPolarHBondContact O-CB 3.43Å; N243-I247 WeakPolarHBondContact O-CG1 3.25Å; N243-I247 PolarHBondContact O-N 3.5Å; N243-I247 WeakPolarHBondContact OD1-CD1 3.23Å
244	E	51.5	Low	42.2	Very low	81 Å²	81	74 Å²	74	38%	0.379	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-40.6	172.6	-75.1	-170.5	154.4	0	0	112.6	W71 H232 L240 L241 H248	W71-E244 HydrophobicContact CZ2-CB 4.17Å; H232-E244 IonicContact CE1-OE1 3.68Å; H232-E244 PolarHBondContact CE1-OE1 3.04Å; H232-E244 IonicContact CE1-OE2 3.27Å; H232-E244 PolarHBondContact CE1-OE2 3.39Å; H232-E244 VanDerWaalsContact CE1-OE2 3.24Å; H232-E244 IonicContact ND1-OE2 3.75Å; H232-E244 IonicContact NE2-OE1 3.56Å; L240-E244 PolarHBondContact O-N 3.19Å; L241-E244 PolarHBondContact O-N 3.17Å; E244-H248 WeakPolarHBondContact O-CB 3.48Å; E244-H248 PolarHBondContact O-N 3.18Å
245	Y	44.3	Very low	40.6	Very low	96 Å²	96	75.2 Å²	75.2	38%	0.376	39%	0.391	S	S	.	.	H	α-helix	trans	-67.6	-38.8	176.9	-172.2	-95.9	0	0	0	111.9	W71 I112 L241 A242 N243 N249	W71-Y245 AromaticContact CD1-CD2 3.98Å; W71-Y245 HydrophobicContact CD2-CD2 4.27Å; W71-Y245 AromaticContact CE2-CD2 3.82Å; W71-Y245 HydrophobicContact CG-CD2 4.39Å; W71-Y245 HydrophobicContact CZ2-CD2 4.23Å; W71-Y245 AromaticContact NE1-CD2 3.63Å; I112-Y245 HydrophobicContact CG2-CE2 4.31Å; L241-Y245 WeakPolarHBondContact O-CB 3.47Å; L241-Y245 PolarHBondContact O-N 3.03Å; A242-Y245 PolarHBondContact O-N 3.35Å; N243-Y245 VanDerWaalsContact C-N 3.32Å; N243-Y245 PolarHBondContact O-N 3.29Å; Y245-N249 WeakPolarHBondContact CD1-ND2 3.26Å; Y245-N249 WeakPolarHBondContact CE1-ND2 3.3Å; Y245-N249 WeakPolarHBondContact O-CB 3.46Å; Y245-N249 PolarHBondContact O-N 3.01Å; Y245-N249 VanDerWaalsContact O-N 3.13Å; Y245-N249 PolarHBondContact O-ND2 2.93Å
246	A	40.2	Very low	39.1	Very low	43 Å²	43	73.7 Å²	73.7	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-67.8	-48.1	174.7	0	0	0	0	0	111.4	A242 N243 N249 L250	A242-A246 WeakPolarHBondContact O-CB 3.11Å; A242-A246 PolarHBondContact O-N 3.28Å; N243-A246 PolarHBondContact O-N 2.58Å; A246-N249 PolarHBondContact O-N 3.47Å; A246-L250 VanDerWaalsContact O-CB 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.36Å; A246-L250 WeakPolarHBondContact O-CG 3.4Å; A246-L250 PolarHBondContact O-N 3.5Å
247	I	49.1	Very low	38	Very low	83 Å²	83	79.9 Å²	79.9	43%	0.426	42%	0.422	S	S	.	.	H	α-helix	trans	-58.4	-50.8	178.2	-70.7	164.8	0	0	0	110.5	N243 N249 L250 E251	N243-I247 WeakPolarHBondContact O-CB 3.43Å; N243-I247 WeakPolarHBondContact O-CG1 3.25Å; N243-I247 PolarHBondContact O-N 3.5Å; N243-I247 WeakPolarHBondContact OD1-CD1 3.23Å; I247-N249 PolarHBondContact O-N 2.92Å; I247-L250 CarbonylContact O-C 3.56Å; I247-L250 PolarHBondContact O-N 3.45Å; I247-E251 WeakPolarHBondContact O-CG 3.23Å; I247-E251 PolarHBondContact O-N 2.87Å
248	H	42.5	Very low	37.2	Very low	80 Å²	80	84 Å²	84	37%	0.37	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-32.8	179.8	-97.6	-36.2	0	0	0	113.6	N70 E244 E251 T252	N70-H248 PolarHBondContact ND2-CD2 2.94Å; N70-H248 PolarHBondContact ND2-NE2 2.84Å; E244-H248 WeakPolarHBondContact O-CB 3.48Å; E244-H248 PolarHBondContact O-N 3.18Å; H248-E251 IonicContact CE1-OE2 3.98Å; H248-E251 PolarHBondContact CE1-OE2 3.49Å; H248-E251 IonicContact CG-OE2 2.93Å; H248-E251 IonicContact ND1-OE2 2.92Å; H248-E251 PolarHBondContact ND1-OE2 2.95Å; H248-T252 PolarHBondContact O-N 3.29Å; H248-T252 VanDerWaalsContact O-N 3.13Å; H248-T252 PolarHBondContact O-OG1 2.94Å
249	N	36.4	Very low	36.6	Very low	67 Å²	67	89.1 Å²	89.1	36%	0.358	46%	0.456	S	S	.	.	H	α-helix	trans	-71.1	-38.9	172.7	-81.6	-57.7	0	0	0	111.7	Y245 A246 I247 T252 L253	Y245-N249 WeakPolarHBondContact CD1-ND2 3.26Å; Y245-N249 WeakPolarHBondContact CE1-ND2 3.3Å; Y245-N249 WeakPolarHBondContact O-CB 3.46Å; Y245-N249 PolarHBondContact O-N 3.01Å; Y245-N249 VanDerWaalsContact O-N 3.13Å; Y245-N249 PolarHBondContact O-ND2 2.93Å; A246-N249 PolarHBondContact O-N 3.47Å; I247-N249 PolarHBondContact O-N 2.92Å; N249-T252 WeakPolarHBondContact CA-OG1 3.35Å; N249-T252 PolarHBondContact O-N 2.73Å; N249-T252 PolarHBondContact O-OG1 3.32Å; N249-L253 PolarHBondContact O-N 3.5Å
250	L	29.6	Very low	36.1	Very low	95 Å²	95	89 Å²	89	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-42.3	172.8	-83.4	163.1	0	0	0	111.6	A246 I247 T252 L253 L254	A246-L250 VanDerWaalsContact O-CB 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.36Å; A246-L250 WeakPolarHBondContact O-CG 3.4Å; A246-L250 PolarHBondContact O-N 3.5Å; I247-L250 CarbonylContact O-C 3.56Å; I247-L250 PolarHBondContact O-N 3.45Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.37Å; L250-L253 CarbonylContact O-C 3.5Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-L253 VanDerWaalsContact O-N 3.14Å; L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.25Å; L250-L254 WeakPolarHBondContact O-CG 3.37Å; L250-L254 PolarHBondContact O-N 3.23Å
251	E	32.7	Very low	35	Very low	90 Å²	90	92.1 Å²	92.1	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-57	-46.5	171.1	-75.9	-179.2	153.2	0	0	111.1	I247 H248 L253 L254 I255	I247-E251 WeakPolarHBondContact O-CG 3.23Å; I247-E251 PolarHBondContact O-N 2.87Å; H248-E251 IonicContact CE1-OE2 3.98Å; H248-E251 PolarHBondContact CE1-OE2 3.49Å; H248-E251 IonicContact CG-OE2 2.93Å; H248-E251 IonicContact ND1-OE2 2.92Å; H248-E251 PolarHBondContact ND1-OE2 2.95Å; E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 3.35Å; E251-L254 PolarHBondContact O-N 2.91Å; E251-I255 WeakPolarHBondContact O-CB 3.28Å; E251-I255 WeakPolarHBondContact O-CD1 3.3Å; E251-I255 WeakPolarHBondContact O-CG1 3.45Å; E251-I255 PolarHBondContact O-N 2.96Å
252	T	33.1	Very low	33.9	Very low	53 Å²	53	100.9 Å²	100.9	33%	0.325	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-27.1	176.6	54	0	0	0	0	114.1	H248 N249 L250 V256	H248-T252 PolarHBondContact O-N 3.29Å; H248-T252 VanDerWaalsContact O-N 3.13Å; H248-T252 PolarHBondContact O-OG1 2.94Å; N249-T252 WeakPolarHBondContact CA-OG1 3.35Å; N249-T252 PolarHBondContact O-N 2.73Å; N249-T252 PolarHBondContact O-OG1 3.32Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.37Å; T252-V256 VanDerWaalsContact O-CG2 3.25Å; T252-V256 WeakPolarHBondContact O-CG2 3.11Å; T252-V256 PolarHBondContact O-N 3.43Å
253	L	28	Very low	33.1	Very low	102 Å²	102	103.5 Å²	103.5	53%	0.534	54%	0.537	S	S	.	.	H	α-helix	trans	-77.5	-35.5	172.7	-80.9	161.4	0	0	0	112.5	N249 L250 E251 K257	N249-L253 PolarHBondContact O-N 3.5Å; L250-L253 CarbonylContact O-C 3.5Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-L253 VanDerWaalsContact O-N 3.14Å; E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 3.35Å; L253-K257 WeakPolarHBondContact O-CG 3.22Å; L253-K257 PolarHBondContact O-N 3.03Å; L253-K257 VanDerWaalsContact O-N 3.07Å
254	L	28.6	Very low	32.1	Very low	90 Å²	90	105.1 Å²	105.1	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-73.3	-42.6	178.3	-73.1	165.7	0	0	0	111.4	L250 E251 V256 K257 Q258	L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.25Å; L250-L254 WeakPolarHBondContact O-CG 3.37Å; L250-L254 PolarHBondContact O-N 3.23Å; E251-L254 PolarHBondContact O-N 2.91Å; L254-V256 PolarHBondContact O-N 2.99Å; L254-K257 CarbonylContact O-C 3.47Å; L254-K257 PolarHBondContact O-N 3.06Å; L254-Q258 WeakPolarHBondContact O-CB 3.27Å; L254-Q258 VanDerWaalsContact O-CG 3.27Å; L254-Q258 WeakPolarHBondContact O-CG 3.22Å; L254-Q258 PolarHBondContact O-N 3.11Å
255	I	31.8	Very low	30.8	Very low	104 Å²	104	110.6 Å²	110.6	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-62.1	-30.4	174.7	-68.7	164.6	0	0	0	111.5	E251	E251-I255 WeakPolarHBondContact O-CB 3.28Å; E251-I255 WeakPolarHBondContact O-CD1 3.3Å; E251-I255 WeakPolarHBondContact O-CG1 3.45Å; E251-I255 PolarHBondContact O-N 2.96Å
256	V	30.2	Very low	29.9	Very low	111 Å²	111	115 Å²	115	67%	0.673	59%	0.593	S	S	*	*	H	α-helix	trans	-77.3	-33.1	173.2	171.2	0	0	0	0	112.2	T252 L254	T252-V256 VanDerWaalsContact O-CG2 3.25Å; T252-V256 WeakPolarHBondContact O-CG2 3.11Å; T252-V256 PolarHBondContact O-N 3.43Å; L254-V256 PolarHBondContact O-N 2.99Å
257	K	27.8	Very low	29.1	Very low	151 Å²	151	124 Å²	124	66%	0.657	62%	0.618	S	S	*	*	H	α-helix	trans	-82.6	-20.9	176.9	-75.8	-176.6	173.2	-175.1	0	115	L253 L254 N259 T260	L253-K257 WeakPolarHBondContact O-CG 3.22Å; L253-K257 PolarHBondContact O-N 3.03Å; L253-K257 VanDerWaalsContact O-N 3.07Å; L254-K257 CarbonylContact O-C 3.47Å; L254-K257 PolarHBondContact O-N 3.06Å; K257-N259 VanDerWaalsContact C-N 3.26Å; K257-N259 PolarHBondContact O-N 3.13Å; K257-T260 PolarHBondContact O-N 3.46Å; K257-T260 PolarHBondContact O-OG1 3.08Å
258	Q	26.7	Very low	27.9	Very low	144 Å²	144	124.6 Å²	124.6	67%	0.673	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-10.5	-177.4	-81.6	173	-6.4	0	0	114.5	L254	L254-Q258 WeakPolarHBondContact O-CB 3.27Å; L254-Q258 VanDerWaalsContact O-CG 3.27Å; L254-Q258 WeakPolarHBondContact O-CG 3.22Å; L254-Q258 PolarHBondContact O-N 3.11Å
259	N	25.7	Very low	27	Very low	142 Å²	142	127.8 Å²	127.8	76%	0.759	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	4	175.8	-71.6	-37	0	0	0	114.2	K257	K257-N259 VanDerWaalsContact C-N 3.26Å; K257-N259 PolarHBondContact O-N 3.13Å
260	T	26	Very low	26.4	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	67%	0.67	S	S	*	*	S	Bend	trans	-105.8	112.3	171.4	50.2	0	0	0	0	110.5	K257 F262	K257-T260 PolarHBondContact O-N 3.46Å; K257-T260 PolarHBondContact O-OG1 3.08Å; T260-F262 PolarHBondContact O-N 3.42Å
261	N	22.1	Very low	26.1	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	68%	0.683	S	S	*	*			trans	-49	128.8	-176	-58.7	-46.5	0	0	0	113.6
262	F	23.7	Very low	25.6	Very low	213 Å²	213	136.7 Å²	136.7	93%	0.934	70%	0.703	S	S	*	*			trans	-147.5	142.1	135.6	-110.9	-74.4	0	0	0	110.4	T260	T260-F262 PolarHBondContact O-N 3.42Å
263	S	21.3	Very low	25.1	Very low	98 Å²	98	140.1 Å²	140.1	69%	0.685	72%	0.719	S	S	*	*			trans	-105.5	162.7	-170.1	55	0	0	0	0	112.9
264	S	23.3	Very low	24.8	Very low	100 Å²	100	143 Å²	143	70%	0.699	73%	0.73	S	S	*	*			trans	93.5	149.3	152.2	83.4	0	0	0	0	120.6
265	Y	23.9	Very low	24.5	Very low	196 Å²	196	143.4 Å²	143.4	77%	0.769	74%	0.741	S	S	*	*			trans	71.2	91.7	165.8	-65.5	-69.9	0	0	0	123
266	K	25.1	Very low	24.1	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	75%	0.748	S	S	*	*				86.8	99.3	127.8	-81	171.2	-178.9	176.4	0	120.7
267	R	22.7	Very low	23.7	Very low	234 Å²	234	149.6 Å²	149.6	88%	0.883	76%	0.755	S	S	*	*			trans	-43.4	163.1	132.2	-65.1	176.7	171.9	165	-4	111.3
268	S	24.9	Very low	23.5	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	76%	0.756	S	S	*	*			cis	-171.6	145.6	46.1	56	0	0	0	0	116.8
269	N	22.9	Very low	23.4	Very low	147 Å²	147	148 Å²	148	79%	0.786	76%	0.758	S	S	*	*			trans	65.4	162.2	149.6	-52	-4.5	0	0	0	115.2
270	V	24.2	Very low	23.3	Very low	132 Å²	132	147.3 Å²	147.3	80%	0.8	75%	0.754	S	S	*	*			cis	-142	153.3	27	168.6	0	0	0	0	110.9
271	N	23.2	Very low	23.2	Very low	145 Å²	145	149.7 Å²	149.7	78%	0.775	76%	0.758	S	S	*	*			trans	-77.6	162.8	173.4	-58.8	-23.9	0	0	0	112.1
272	I	23.4	Very low	23.4	Very low	162 Å²	162	153.7 Å²	153.7	83%	0.831	76%	0.763	S	S	*	*				177.1	160.1	124.9	-91.6	154.6	0	0	0	110.5
273	N	21	Very low	23.4	Very low	125 Å²	125	151 Å²	151	67%	0.668	76%	0.758	S	S	*	*			trans	-85.4	166.6	-169	-63.6	1.8	0	0	0	115
274	E	22.1	Very low	23.5	Very low	164 Å²	164	155.6 Å²	155.6	77%	0.766	77%	0.766	S	S	*	*			trans	70.7	114.4	138.1	-82.5	158.3	-131.7	0	0	122.2
275	S	22.4	Very low	23.4	Very low	98 Å²	98	156.6 Å²	156.6	69%	0.685	77%	0.773	S	S	*	*				98.3	147.8	129.5	84.9	0	0	0	0	120.4
276	N	22.6	Very low	23.5	Very low	130 Å²	130	153.3 Å²	153.3	70%	0.695	77%	0.773	S	S	*	*			trans	66.9	96.5	154.9	-65.2	-47.6	0	0	0	121
277	R	22	Very low	23.5	Very low	215 Å²	215	151.6 Å²	151.6	81%	0.811	77%	0.773	S	S	*	*				68	125.4	118.1	-80.1	-175.6	172.2	174.1	-1.6	121.1
278	N	23.9	Very low	23.6	Very low	127 Å²	127	147 Å²	147	68%	0.679	77%	0.765	S	S	*	*			trans	85.6	130.9	138.6	-63.8	13.1	0	0	0	119.2
279	N	24.6	Very low	23.6	Very low	135 Å²	135	147.1 Å²	147.1	72%	0.722	76%	0.761	S	S	*	*			trans	66.9	120.4	141.5	-63.5	25.2	0	0	0	117.2
280	N	24.7	Very low	23.7	Very low	127 Å²	127	144.2 Å²	144.2	68%	0.679	75%	0.75	S	S	*	*			cis	-152.2	157.3	19.8	-86	-22.1	0	0	0	113.7
281	E	23.3	Very low	24	Very low	160 Å²	160	141.1 Å²	141.1	75%	0.748	73%	0.729	S	S	*	*			trans	29.6	107.7	139.7	-55.9	176	145.1	0	0	120.1
282	Y	26.4	Very low	24.5	Very low	238 Å²	238	138.3 Å²	138.3	93%	0.933	71%	0.714	S	S	*	*				-145.5	138.5	127	-95.1	-74.6	0	0	0	109.1	F284	Y282-F284 PolarHBondContact O-N 3.3Å
283	N	22.6	Very low	24.8	Very low	156 Å²	156	135 Å²	135	83%	0.834	71%	0.705	S	S	*	*			trans	-81.3	119.3	-164.8	-71.9	-44.4	0	0	0	114
284	F	24.3	Very low	25.1	Very low	196 Å²	196	133 Å²	133	86%	0.86	69%	0.694	S	S	*	*			trans	-138.4	110.1	156.6	-92.9	-80.6	0	0	0	110.6	Y282 V286	Y282-F284 PolarHBondContact O-N 3.3Å; F284-V286 VanDerWaalsContact C-N 3.33Å; F284-V286 PolarHBondContact O-N 3.19Å
285	S	21.9	Very low	25.7	Very low	120 Å²	120	127.9 Å²	127.9	84%	0.839	67%	0.674	S	S	*	*			trans	-83.9	61.7	-173.7	42.2	0	0	0	0	113.3	N287	S285-N287 PolarHBondContact O-N 2.92Å
286	V	25.3	Very low	26.2	Very low	127 Å²	127	126.9 Å²	126.9	77%	0.77	66%	0.655	S	S	*	*			trans	-77.2	91.4	176.6	-174.6	0	0	0	0	110.2	F284 I288	F284-V286 VanDerWaalsContact C-N 3.33Å; F284-V286 PolarHBondContact O-N 3.19Å; V286-I288 PolarHBondContact O-N 3.36Å
287	N	24.6	Very low	26.7	Very low	151 Å²	151	123.8 Å²	123.8	81%	0.807	64%	0.638	S	S	*	*			trans	-80.7	84.1	-165.9	-150.6	6.8	0	0	0	113.6	S285 T289	S285-N287 PolarHBondContact O-N 2.92Å; N287-T289 PolarHBondContact O-N 3.32Å
288	I	24.2	Very low	27.2	Very low	139 Å²	139	118.2 Å²	118.2	71%	0.713	62%	0.62	S	S	*	*			trans	8.3	105.8	146	-43.7	172	0	0	0	115.7	V286	V286-I288 PolarHBondContact O-N 3.36Å
289	T	26.4	Very low	27.7	Very low	95 Å²	95	116.3 Å²	116.3	58%	0.583	61%	0.613	S	S	*	*				165.5	130.9	124.8	33.7	0	0	0	0	113	N287 I291	N287-T289 PolarHBondContact O-N 3.32Å; T289-I291 PolarHBondContact O-N 3.32Å; T289-I291 WeakPolarHBondContact OG1-CG1 3.4Å
290	P	24.1	Very low	28.3	Very low	86 Å²	86	113.2 Å²	113.2	56%	0.558	60%	0.599	S	S	*	*			trans	-79	91.8	157.9	31.7	-29.9	0	0	0	108.6	N292	P290-N292 PolarHBondContact O-N 3.14Å
291	I	30	Very low	28.6	Very low	67 Å²	67	113.5 Å²	113.5	34%	0.344	59%	0.591	S	S	.	*			trans	-73	102.1	-168.1	-46.6	177.6	0	0	0	111.5	T289 R296	T289-I291 PolarHBondContact O-N 3.32Å; T289-I291 WeakPolarHBondContact OG1-CG1 3.4Å; I291-R296 HydrophobicContact CG2-CB 3.52Å; I291-R296 HydrophobicContact CG2-CG 3.93Å
292	N	33.6	Very low	29.1	Very low	87 Å²	87	111.3 Å²	111.3	47%	0.465	58%	0.576	S	S	.	*			trans	-54.8	138.2	161.3	176.1	-11.1	0	0	0	109	P290 L294 T295 R296	P290-N292 PolarHBondContact O-N 3.14Å; N292-L294 PolarHBondContact O-N 3.38Å; N292-L294 VanDerWaalsContact O-N 3.1Å; N292-L294 WeakPolarHBondContact OD1-CB 3.26Å; N292-L294 PolarHBondContact OD1-N 3.37Å; N292-T295 HydrophobicContact CB-CG2 4.33Å; N292-T295 PolarHBondContact N-OG1 3.05Å; N292-T295 CarbonylContact O-C 3.54Å; N292-T295 WeakPolarHBondContact O-CA 3.29Å; N292-T295 PolarHBondContact O-N 2.88Å; N292-T295 PolarHBondContact O-OG1 2.82Å; N292-R296 PolarHBondContact O-N 2.86Å
293	S	30.2	Very low	29.5	Very low	93 Å²	93	108.5 Å²	108.5	65%	0.65	57%	0.571	S	S	*	*	H	α-helix	trans	-52.8	-35.5	176.7	48.7	0	0	0	0	112.1	R296 L297	S293-R296 PolarHBondContact O-N 3.25Å; S293-L297 PolarHBondContact O-N 3.37Å; S293-L297 VanDerWaalsContact O-N 3.11Å
294	L	28.4	Very low	29.9	Very low	82 Å²	82	109.5 Å²	109.5	43%	0.429	56%	0.564	S	S	.	*	H	α-helix	trans	-68.1	-30.8	174.2	-159.2	73.7	0	0	0	113.6	N292 K298	N292-L294 PolarHBondContact O-N 3.38Å; N292-L294 VanDerWaalsContact O-N 3.1Å; N292-L294 WeakPolarHBondContact OD1-CB 3.26Å; N292-L294 PolarHBondContact OD1-N 3.37Å; L294-K298 WeakPolarHBondContact O-CB 3.22Å; L294-K298 VanDerWaalsContact O-CG 3.29Å; L294-K298 WeakPolarHBondContact O-CG 3.44Å; L294-K298 PolarHBondContact O-N 3.48Å; L294-K298 VanDerWaalsContact O-N 3.16Å
295	T	33.4	Very low	30.1	Very low	57 Å²	57	103.4 Å²	103.4	35%	0.35	54%	0.54	S	S	.	.	H	α-helix	trans	-81.3	-30.2	171.4	56.7	0	0	0	0	112.4	N292 L297 K298 T299	N292-T295 HydrophobicContact CB-CG2 4.33Å; N292-T295 PolarHBondContact N-OG1 3.05Å; N292-T295 CarbonylContact O-C 3.54Å; N292-T295 WeakPolarHBondContact O-CA 3.29Å; N292-T295 PolarHBondContact O-N 2.88Å; N292-T295 PolarHBondContact O-OG1 2.82Å; T295-L297 VanDerWaalsContact C-N 3.3Å; T295-L297 PolarHBondContact O-N 3.33Å; T295-K298 CarbonylContact O-C 3.58Å; T295-K298 PolarHBondContact O-N 3.31Å; T295-K298 VanDerWaalsContact O-N 3.17Å; T295-T299 WeakPolarHBondContact O-CG2 3.39Å; T295-T299 PolarHBondContact O-N 3.02Å; T295-T299 PolarHBondContact O-OG1 3.29Å; T295-T299 VanDerWaalsContact O-OG1 3.06Å
296	R	32.6	Very low	30.4	Very low	76 Å²	76	107.6 Å²	107.6	29%	0.287	54%	0.542	S	S	.	.	H	α-helix	trans	-59.4	-42.5	172.1	-151.7	166.5	-179.6	144.1	4.9	111.1	I291 N292 S293 T300 N931	I291-R296 HydrophobicContact CG2-CB 3.52Å; I291-R296 HydrophobicContact CG2-CG 3.93Å; N292-R296 PolarHBondContact O-N 2.86Å; S293-R296 PolarHBondContact O-N 3.25Å; R296-T300 WeakPolarHBondContact O-CB 3.39Å; R296-T300 PolarHBondContact O-N 2.9Å; R296-T300 VanDerWaalsContact O-N 3.15Å; R296-T300 PolarHBondContact O-OG1 3.37Å; R296-N931 PolarHBondContact NH1-OD1 2.69Å; R296-N931 PolarHBondContact NH2-OD1 3.49Å
297	L	33.1	Very low	30.7	Very low	65 Å²	65	103.6 Å²	103.6	34%	0.34	53%	0.527	S	S	.	.	H	α-helix	trans	-63.1	-49.7	170.6	-74.3	163.9	0	0	0	112	S293 T295 T299 W301	S293-L297 PolarHBondContact O-N 3.37Å; S293-L297 VanDerWaalsContact O-N 3.11Å; T295-L297 VanDerWaalsContact C-N 3.3Å; T295-L297 PolarHBondContact O-N 3.33Å; L297-T299 VanDerWaalsContact C-N 3.32Å; L297-T299 PolarHBondContact O-N 3.06Å; L297-W301 HydrophobicContact CD2-CD2 4Å; L297-W301 HydrophobicContact CD2-CE3 3.58Å; L297-W301 HydrophobicContact CD2-CH2 4.48Å; L297-W301 HydrophobicContact CD2-CZ3 3.85Å; L297-W301 PolarHBondContact O-N 2.92Å
298	K	33	Very low	30.9	Very low	99 Å²	99	104.8 Å²	104.8	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-67.6	-22.1	-177.9	-74.7	176.8	179.2	-178.9	0	114.9	L294 T295 Y302	L294-K298 WeakPolarHBondContact O-CB 3.22Å; L294-K298 VanDerWaalsContact O-CG 3.29Å; L294-K298 WeakPolarHBondContact O-CG 3.44Å; L294-K298 PolarHBondContact O-N 3.48Å; L294-K298 VanDerWaalsContact O-N 3.16Å; T295-K298 CarbonylContact O-C 3.58Å; T295-K298 PolarHBondContact O-N 3.31Å; T295-K298 VanDerWaalsContact O-N 3.17Å; K298-Y302 HydrophobicContact CG-CD2 4.27Å; K298-Y302 HydrophobicContact CG-CE2 4.26Å; K298-Y302 WeakPolarHBondContact O-CB 3.49Å
299	T	35.7	Very low	31.4	Very low	87 Å²	87	101.9 Å²	101.9	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-96.4	-33.5	176.5	57.9	0	0	0	0	114	T295 L297	T295-T299 WeakPolarHBondContact O-CG2 3.39Å; T295-T299 PolarHBondContact O-N 3.02Å; T295-T299 PolarHBondContact O-OG1 3.29Å; T295-T299 VanDerWaalsContact O-OG1 3.06Å; L297-T299 VanDerWaalsContact C-N 3.32Å; L297-T299 PolarHBondContact O-N 3.06Å
300	T	37	Very low	31.4	Very low	69 Å²	69	103.6 Å²	103.6	42%	0.423	52%	0.524	S	S	.	.	H	α-helix	trans	-99	-28.5	-171.9	65.3	0	0	0	0	114.7	R296	R296-T300 WeakPolarHBondContact O-CB 3.39Å; R296-T300 PolarHBondContact O-N 2.9Å; R296-T300 VanDerWaalsContact O-N 3.15Å; R296-T300 PolarHBondContact O-OG1 3.37Å
301	W	31.3	Very low	31.8	Very low	133 Å²	133	104 Å²	104	50%	0.504	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-27.1	-174.7	-73.1	12.3	0	0	0	114	L297 H303 R304	L297-W301 HydrophobicContact CD2-CD2 4Å; L297-W301 HydrophobicContact CD2-CE3 3.58Å; L297-W301 HydrophobicContact CD2-CH2 4.48Å; L297-W301 HydrophobicContact CD2-CZ3 3.85Å; L297-W301 PolarHBondContact O-N 2.92Å; W301-H303 PolarHBondContact O-N 3.2Å; W301-H303 VanDerWaalsContact O-N 3.09Å; W301-R304 WeakPolarHBondContact O-CB 3.21Å; W301-R304 PolarHBondContact O-N 2.87Å
302	Y	33.3	Very low	31.8	Very low	114 Å²	114	107.6 Å²	107.6	45%	0.447	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.3	-174.1	-125.3	-93.4	0	0	0	114.3	K298 R304 L305	K298-Y302 HydrophobicContact CG-CD2 4.27Å; K298-Y302 HydrophobicContact CG-CE2 4.26Å; K298-Y302 WeakPolarHBondContact O-CB 3.49Å; Y302-R304 PolarHBondContact O-N 3.31Å; Y302-L305 PolarHBondContact O-N 3.36Å
303	H	35	Very low	31.6	Very low	179 Å²	179	109.1 Å²	109.1	83%	0.829	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-68.4	-9.4	176	-70	-71.4	0	0	0	114.7	W301	W301-H303 PolarHBondContact O-N 3.2Å; W301-H303 VanDerWaalsContact O-N 3.09Å
304	R	31	Very low	31.5	Very low	178 Å²	178	109.2 Å²	109.2	67%	0.672	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-97.1	-11.2	179.1	-58.7	-174.9	-177.3	-169.2	-0.6	113.7	W301 Y302	W301-R304 WeakPolarHBondContact O-CB 3.21Å; W301-R304 PolarHBondContact O-N 2.87Å; Y302-R304 PolarHBondContact O-N 3.31Å
305	L	28.4	Very low	31.6	Very low	68 Å²	68	110 Å²	110	36%	0.356	55%	0.549	S	S	.	.			trans	-106.9	97.6	-174.1	-68.2	173.6	0	0	0	111.7	Y302 G307 Y309	Y302-L305 PolarHBondContact O-N 3.36Å; L305-G307 PolarHBondContact O-N 3.04Å; L305-Y309 HydrophobicContact CB-CE2 3.76Å
306	K	27	Very low	31.4	Very low	207 Å²	207	112.5 Å²	112.5	90%	0.9	56%	0.561	S	S	*	*			trans	-84.9	97.4	170.6	-76.2	-173.9	175.7	-179	0	110.6	Y309	K306-Y309 PolarHBondContact O-OH 3.37Å
307	G	32.8	Very low	31.1	Very low	43 Å²	43	112.1 Å²	112.1	44%	0.443	56%	0.561	S	S	.	*	S	Bend	trans	179.6	168.1	173.5	0	0	0	0	0	113.5	L305 Y309	L305-G307 PolarHBondContact O-N 3.04Å; G307-Y309 VanDerWaalsContact C-CE2 3.49Å; G307-Y309 VanDerWaalsContact O-CD2 3.27Å; G307-Y309 WeakPolarHBondContact O-CD2 3.42Å; G307-Y309 VanDerWaalsContact O-CE2 3.26Å; G307-Y309 WeakPolarHBondContact O-CE2 3.2Å
308	N	29	Very low	30.8	Very low	176 Å²	176	112.9 Å²	112.9	94%	0.941	58%	0.577	S	S	*	*			trans	-92.1	110	171.1	-75.6	-14.9	0	0	0	108.8
309	Y	33.2	Very low	30.5	Very low	78 Å²	78	113.9 Å²	113.9	31%	0.306	58%	0.579	S	S	.	*			trans	-118.5	129.7	-176.7	-49.4	-77.9	0	0	0	111.3	L305 K306 G307	L305-Y309 HydrophobicContact CB-CE2 3.76Å; K306-Y309 PolarHBondContact O-OH 3.37Å; G307-Y309 VanDerWaalsContact C-CE2 3.49Å; G307-Y309 VanDerWaalsContact O-CD2 3.27Å; G307-Y309 WeakPolarHBondContact O-CD2 3.42Å; G307-Y309 VanDerWaalsContact O-CE2 3.26Å; G307-Y309 WeakPolarHBondContact O-CE2 3.2Å
310	T	27.3	Very low	30.1	Very low	131 Å²	131	113.2 Å²	113.2	80%	0.804	58%	0.577	S	S	*	*			trans	-91.9	111.4	168.8	48.5	0	0	0	0	109.7	I312	T310-I312 PolarHBondContact O-N 3.32Å
311	I	31.8	Very low	29.9	Very low	94 Å²	94	117.8 Å²	117.8	48%	0.482	59%	0.586	S	S	.	*			trans	-70.8	121.6	173.7	-57.4	176.2	0	0	0	108.7	D313	I311-D313 WeakPolarHBondContact CG2-OD1 3.48Å
312	I	30.9	Very low	29.7	Very low	143 Å²	143	113.3 Å²	113.3	73%	0.733	57%	0.574	S	S	*	*			trans	-94.3	106	165.8	-59.4	177.1	0	0	0	106.5	T310 N314	T310-I312 PolarHBondContact O-N 3.32Å; I312-N314 PolarHBondContact O-N 3.46Å
313	D	29.7	Very low	29.3	Very low	119 Å²	119	114.2 Å²	114.2	64%	0.636	59%	0.585	S	S	*	*			trans	-70.7	77.2	179.1	-76.3	-36.2	0	0	0	110.9	I311 T315	I311-D313 WeakPolarHBondContact CG2-OD1 3.48Å; D313-T315 HydrophobicContact CB-CG2 4.49Å; D313-T315 PolarHBondContact O-N 3.09Å
314	N	28.3	Very low	28.9	Very low	95 Å²	95	110.8 Å²	110.8	51%	0.508	58%	0.579	S	S	.	*			trans	-81.7	66.4	179.7	-160.9	5.8	0	0	0	111.1	I312 D316 F317	I312-N314 PolarHBondContact O-N 3.46Å; N314-D316 PolarHBondContact O-N 3.4Å; N314-F317 PolarHBondContact O-N 2.98Å
315	T	30.9	Very low	28.8	Very low	100 Å²	100	106.3 Å²	106.3	61%	0.613	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-65.8	-17.6	-171.6	48.1	0	0	0	0	114.7	D313 F317	D313-T315 HydrophobicContact CB-CG2 4.49Å; D313-T315 PolarHBondContact O-N 3.09Å; T315-F317 PolarHBondContact O-N 3.49Å
316	D	28.3	Very low	28.8	Very low	109 Å²	109	108.6 Å²	108.6	58%	0.583	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-73.9	-4.3	-179.9	-71.8	-41.4	0	0	0	114	Y126 N314	Y126-D316 PolarHBondContact OH-OD1 3.38Å; N314-D316 PolarHBondContact O-N 3.4Å
317	F	27	Very low	28.9	Very low	67 Å²	67	103.5 Å²	103.5	29%	0.294	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-100.3	2.4	-175.2	-109.3	-85.4	0	0	0	116.3	N314 T315 Y319 V336 F348	N314-F317 PolarHBondContact O-N 2.98Å; T315-F317 PolarHBondContact O-N 3.49Å; F317-Y319 PolarHBondContact O-N 3.38Å; F317-V336 HydrophobicContact CE2-CG1 4.13Å; F317-V336 HydrophobicContact CE2-CG2 3.89Å; F317-V336 HydrophobicContact CZ-CG1 4.12Å; F317-F348 HydrophobicContact CE1-CE2 4.5Å; F317-F348 HydrophobicContact CZ-CZ 4.38Å
318	A	25.2	Very low	28.6	Very low	82 Å²	82	103.3 Å²	103.3	68%	0.678	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	7.9	-165.7	0	0	0	0	0	117.4
319	Y	28.4	Very low	28.6	Very low	119 Å²	119	98.8 Å²	98.8	47%	0.467	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	0.6	-172.1	-82.9	-89.1	0	0	0	115.9	D125 T181 R234 F317 R321	D125-Y319 PolarHBondContact OD1-OH 3.32Å; D125-Y319 VanDerWaalsContact OD1-OH 3.09Å; T181-Y319 HydrophobicContact CG2-CE1 3.67Å; T181-Y319 WeakPolarHBondContact CG2-OH 3.5Å; R234-Y319 PolarHBondContact NH1-OH 3.45Å; F317-Y319 PolarHBondContact O-N 3.38Å; Y319-R321 PolarHBondContact O-N 2.86Å
320	C	26	Very low	28.4	Very low	73 Å²	73	99.3 Å²	99.3	49%	0.493	54%	0.536	S	S	.	.	S	Bend	trans	-65.8	132.5	166.8	-71	0	0	0	0	109.9	T322	C320-T322 PolarHBondContact O-N 3.18Å
321	R	32.3	Very low	28.4	Very low	166 Å²	166	96.1 Å²	96.1	63%	0.626	52%	0.523	S	S	*	.	S	Bend	trans	-77.4	36.9	-175.7	-65.1	172.9	175.6	154.9	-1.8	113.3	Y319 W845	Y319-R321 PolarHBondContact O-N 2.86Å; R321-W845 VanDerWaalsContact CZ-CE2 3.44Å; R321-W845 VanDerWaalsContact NH1-CE3 3.31Å
322	T	26.8	Very low	28.4	Very low	39 Å²	39	96 Å²	96	24%	0.239	52%	0.519	C	S	.	.	S	Bend	trans	-137.7	142.5	-176.4	55	0	0	0	0	107	C320 R833	C320-T322 PolarHBondContact O-N 3.18Å; T322-R833 WeakPolarHBondContact CG2-O 3.45Å
323	L	26.9	Very low	28.4	Very low	132 Å²	132	96 Å²	96	69%	0.691	51%	0.513	S	S	*	.	S	Bend	trans	-48	146.2	172.7	-77.2	160.3	0	0	0	110.7	L325	L323-L325 PolarHBondContact O-N 3.25Å
324	P	26.2	Very low	28.5	Very low	108 Å²	108	94.1 Å²	94.1	70%	0.701	50%	0.502	S	S	*	.			trans	-58.5	103.5	-172	23.8	-34.3	0	0	0	110.4	E326	P324-E326 PolarHBondContact O-N 3.39Å
325	L	28.4	Very low	28.7	Very low	84 Å²	84	92.3 Å²	92.3	44%	0.44	50%	0.496	S	S	.	.			trans	-65	133.7	179.4	-73.6	163.3	0	0	0	108.7	L323 I327 I350	L323-L325 PolarHBondContact O-N 3.25Å; L325-I327 PolarHBondContact O-N 3.28Å; L325-I350 HydrophobicContact CD1-CG1 4.47Å; L325-I350 HydrophobicContact CD1-CG2 4.02Å
326	E	29.1	Very low	28.8	Very low	115 Å²	115	91.2 Å²	91.2	54%	0.537	49%	0.49	S	S	.	.			trans	-68.6	83.8	167.2	-66.3	-169.5	153.7	0	0	108.4	P324 P328	P324-E326 PolarHBondContact O-N 3.39Å; E326-P328 WeakPolarHBondContact O-CD 3.19Å
327	I	27.3	Very low	28.9	Very low	100 Å²	100	91.3 Å²	91.3	51%	0.513	49%	0.489	S	S	.	.			trans	-65.1	116.7	175.2	-59.2	174.6	0	0	0	107.5	L325 T329	L325-I327 PolarHBondContact O-N 3.28Å; I327-T329 VanDerWaalsContact C-N 3.34Å; I327-T329 HydrophobicContact CB-CG2 4.47Å; I327-T329 HydrophobicContact CG2-CG2 4.13Å; I327-T329 PolarHBondContact O-N 2.96Å
328	P	27	Very low	29.3	Very low	40 Å²	40	92.5 Å²	92.5	26%	0.26	50%	0.498	S	S	.	.			trans	-68.6	98.6	165.5	29.5	-31.8	0	0	0	107	E326 I330 L351 P373	E326-P328 WeakPolarHBondContact O-CD 3.19Å; P328-I330 PolarHBondContact O-N 3.45Å; P328-L351 HydrophobicContact CG-CD2 4.35Å; P328-P373 HydrophobicContact CB-CG 3.9Å
329	T	29.1	Very low	29.9	Very low	81 Å²	81	89.8 Å²	89.8	50%	0.497	47%	0.471	S	S	.	.			trans	-72.1	78.3	-175	54.7	0	0	0	0	111.5	I327 A331	I327-T329 VanDerWaalsContact C-N 3.34Å; I327-T329 HydrophobicContact CB-CG2 4.47Å; I327-T329 HydrophobicContact CG2-CG2 4.13Å; I327-T329 PolarHBondContact O-N 2.96Å; T329-A331 PolarHBondContact O-N 2.87Å
330	I	30.1	Very low	30.3	Very low	88 Å²	88	90.5 Å²	90.5	45%	0.451	47%	0.472	S	S	.	.			trans	-49	127.1	146.3	-61	174.9	0	0	0	105.8	P328 F332 I789	P328-I330 PolarHBondContact O-N 3.45Å; I330-F332 HydrophobicContact CB-CD2 4.04Å; I330-F332 HydrophobicContact CB-CE2 3.7Å; I330-F332 HydrophobicContact CB-CZ 4.37Å; I330-F332 HydrophobicContact CD1-CE2 4.46Å; I330-F332 HydrophobicContact CG2-CD2 3.99Å; I330-F332 HydrophobicContact CG2-CE1 4.33Å; I330-F332 HydrophobicContact CG2-CE2 3.55Å; I330-F332 HydrophobicContact CG2-CZ 3.74Å; I330-F332 WeakPolarHBondContact O-CD2 3.32Å; I330-F332 PolarHBondContact O-N 3.18Å; I330-I789 HydrophobicContact CD1-CD1 4.25Å
331	A	27.7	Very low	30.8	Very low	64 Å²	64	91.3 Å²	91.3	53%	0.529	47%	0.472	S	S	.	.			trans	-77.4	62.6	-163.8	0	0	0	0	0	112.9	T329 K333	T329-A331 PolarHBondContact O-N 2.87Å; A331-K333 PolarHBondContact O-N 3.03Å
332	F	30.8	Very low	31.4	Very low	93 Å²	93	84 Å²	84	41%	0.408	44%	0.444	S	S	.	.			trans	-66.5	82.5	174.3	-70	-64.4	0	0	0	110.4	I330 M334 F339 L420	I330-F332 HydrophobicContact CB-CD2 4.04Å; I330-F332 HydrophobicContact CB-CE2 3.7Å; I330-F332 HydrophobicContact CB-CZ 4.37Å; I330-F332 HydrophobicContact CD1-CE2 4.46Å; I330-F332 HydrophobicContact CG2-CD2 3.99Å; I330-F332 HydrophobicContact CG2-CE1 4.33Å; I330-F332 HydrophobicContact CG2-CE2 3.55Å; I330-F332 HydrophobicContact CG2-CZ 3.74Å; I330-F332 WeakPolarHBondContact O-CD2 3.32Å; I330-F332 PolarHBondContact O-N 3.18Å; F332-M334 PolarHBondContact O-N 3.42Å; F332-F339 HydrophobicContact CB-CE2 3.8Å; F332-F339 HydrophobicContact CB-CZ 3.9Å; F332-F339 HydrophobicContact CD1-CE2 4.06Å; F332-F339 AromaticContact CD1-CZ 3.64Å; F332-F339 HydrophobicContact CD1-CZ 3.64Å; F332-F339 HydrophobicContact CD2-CZ 4.31Å; F332-F339 HydrophobicContact CE1-CZ 4.23Å; F332-F339 HydrophobicContact CG-CE2 4.08Å; F332-F339 AromaticContact CG-CZ 3.69Å; F332-F339 HydrophobicContact CG-CZ 3.69Å; F332-L420 VanDerWaalsContact CD1-O 3.24Å; F332-L420 WeakPolarHBondContact CD1-O 3.37Å; F332-L420 HydrophobicContact CE1-CB 4.46Å; F332-L420 VanDerWaalsContact CE1-O 3.3Å; F332-L420 WeakPolarHBondContact CE1-O 3.44Å
333	K	31.9	Very low	32.3	Very low	141 Å²	141	82.5 Å²	82.5	61%	0.613	43%	0.434	S	S	*	.			trans	-76	24.3	-173.2	-153.3	177.6	-179.2	-176.7	0	113.4	A331	A331-K333 PolarHBondContact O-N 3.03Å
334	M	30.4	Very low	32.7	Very low	80 Å²	80	81.9 Å²	81.9	39%	0.394	43%	0.428	S	S	.	.	S	Bend	trans	-108.2	147.1	-177.9	-170.7	59.1	78.6	0	0	109.7	F332 I338 F339	F332-M334 PolarHBondContact O-N 3.42Å; M334-I338 HydrophobicContact CG-CB 4.2Å; M334-I338 HydrophobicContact CG-CD1 4.28Å; M334-I338 HydrophobicContact CG-CG2 3.97Å; M334-I338 HydrophobicContact SD-CD1 3.69Å; M334-I338 HydrophobicContact SD-CG2 4.48Å; M334-F339 HydrophobicContact CB-CD2 4.13Å; M334-F339 HydrophobicContact CB-CE2 4.19Å
335	S	31.9	Very low	33.2	Very low	57 Å²	57	79.3 Å²	79.3	40%	0.399	42%	0.421	S	S	.	.			trans	-65.4	140.5	-170.9	76.6	0	0	0	0	112.6	I337 I338 F339	S335-I337 PolarHBondContact O-N 3.03Å; S335-I338 PolarHBondContact O-N 2.94Å; S335-I338 WeakPolarHBondContact OG-CD1 3.41Å; S335-I338 WeakPolarHBondContact OG-CG1 3.33Å; S335-F339 PolarHBondContact O-N 2.94Å
336	V	34	Very low	33.9	Very low	77 Å²	77	77.2 Å²	77.2	47%	0.467	41%	0.409	S	S	.	.	H	α-helix	trans	-56.5	-26.2	-178.3	-175.6	0	0	0	0	112.4	F317 R340 F348	F317-V336 HydrophobicContact CE2-CG1 4.13Å; F317-V336 HydrophobicContact CE2-CG2 3.89Å; F317-V336 HydrophobicContact CZ-CG1 4.12Å; V336-R340 WeakPolarHBondContact O-CB 3.3Å; V336-R340 PolarHBondContact O-N 2.96Å; V336-F348 HydrophobicContact CG1-CZ 4.1Å
337	I	31.1	Very low	34.8	Very low	112 Å²	112	76.1 Å²	76.1	57%	0.574	40%	0.4	S	S	*	.	H	α-helix	trans	-66.1	-54.9	174.9	-60.1	172.5	0	0	0	110.3	S335 F339 R340 D341	S335-I337 PolarHBondContact O-N 3.03Å; I337-F339 PolarHBondContact O-N 3.12Å; I337-R340 WeakPolarHBondContact O-CB 3.33Å; I337-R340 PolarHBondContact O-N 2.99Å; I337-D341 PolarHBondContact O-N 3.47Å
338	I	35.2	Very low	35.9	Very low	92 Å²	92	74.5 Å²	74.5	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-57.8	-39.1	176	-64.2	167.7	0	0	0	110.6	M334 S335 D341 Y342	M334-I338 HydrophobicContact CG-CB 4.2Å; M334-I338 HydrophobicContact CG-CD1 4.28Å; M334-I338 HydrophobicContact CG-CG2 3.97Å; M334-I338 HydrophobicContact SD-CD1 3.69Å; M334-I338 HydrophobicContact SD-CG2 4.48Å; S335-I338 PolarHBondContact O-N 2.94Å; S335-I338 WeakPolarHBondContact OG-CD1 3.41Å; S335-I338 WeakPolarHBondContact OG-CG1 3.33Å; I338-D341 PolarHBondContact O-N 3.35Å; I338-Y342 PolarHBondContact O-N 2.85Å
339	F	37.6	Very low	37.3	Very low	25 Å²	25	74.6 Å²	74.6	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-66.7	-33.7	175.7	-116.6	-84.8	0	0	0	113.3	F332 M334 S335 I337 F343 F348 L420	F332-F339 HydrophobicContact CB-CE2 3.8Å; F332-F339 HydrophobicContact CB-CZ 3.9Å; F332-F339 HydrophobicContact CD1-CE2 4.06Å; F332-F339 AromaticContact CD1-CZ 3.64Å; F332-F339 HydrophobicContact CD1-CZ 3.64Å; F332-F339 HydrophobicContact CD2-CZ 4.31Å; F332-F339 HydrophobicContact CE1-CZ 4.23Å; F332-F339 HydrophobicContact CG-CE2 4.08Å; F332-F339 AromaticContact CG-CZ 3.69Å; F332-F339 HydrophobicContact CG-CZ 3.69Å; M334-F339 HydrophobicContact CB-CD2 4.13Å; M334-F339 HydrophobicContact CB-CE2 4.19Å; S335-F339 PolarHBondContact O-N 2.94Å; I337-F339 PolarHBondContact O-N 3.12Å; F339-F343 HydrophobicContact CD1-CE2 4.18Å; F339-F343 VanDerWaalsContact O-CD2 3.23Å; F339-F343 WeakPolarHBondContact O-CD2 3.47Å; F339-F348 HydrophobicContact CB-CE1 4.09Å; F339-F348 HydrophobicContact CD1-CD1 4.46Å; F339-F348 AromaticContact CD1-CE1 3.97Å; F339-F348 HydrophobicContact CD1-CE1 3.97Å; F339-F348 HydrophobicContact CG-CE1 4.41Å; F339-L420 HydrophobicContact CE1-CD2 4.18Å; F339-L420 HydrophobicContact CE2-CD2 3.99Å; F339-L420 HydrophobicContact CZ-CD2 3.76Å
340	R	36.4	Very low	38.9	Very low	134 Å²	134	72.1 Å²	72.1	51%	0.506	37%	0.373	S	S	.	.	H	α-helix	trans	-73.5	-39.1	175.1	-170.5	-174.1	70.7	163.5	5.8	111.6	V336 I337 Y342 F343	V336-R340 WeakPolarHBondContact O-CB 3.3Å; V336-R340 PolarHBondContact O-N 2.96Å; I337-R340 WeakPolarHBondContact O-CB 3.33Å; I337-R340 PolarHBondContact O-N 2.99Å; R340-Y342 PolarHBondContact O-N 2.92Å; R340-F343 PolarHBondContact O-N 3.21Å
341	D	37.5	Very low	40.5	Very low	90 Å²	90	70.4 Å²	70.4	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-31.1	178.5	-60.1	-21.2	0	0	0	111.1	I337 I338 F343 L412	I337-D341 PolarHBondContact O-N 3.47Å; I338-D341 PolarHBondContact O-N 3.35Å; D341-F343 VanDerWaalsContact C-N 3.32Å; D341-F343 PolarHBondContact O-N 3.27Å; D341-L412 WeakPolarHBondContact O-CD1 3.08Å
342	Y	44.2	Very low	42.6	Very low	13 Å²	13	67.4 Å²	67.4	5%	0.051	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.6	173.3	177.6	-92.6	0	0	0	114.8	I338 R340 L411 I415 L420	I338-Y342 PolarHBondContact O-N 2.85Å; R340-Y342 PolarHBondContact O-N 2.92Å; Y342-L411 HydrophobicContact CD1-CD2 4.28Å; Y342-L411 HydrophobicContact CE1-CD2 3.41Å; Y342-L411 VanDerWaalsContact CE1-CD2 3.41Å; Y342-I415 HydrophobicContact CD2-CB 4.18Å; Y342-I415 HydrophobicContact CD2-CD1 3.95Å; Y342-I415 HydrophobicContact CD2-CG2 4.03Å; Y342-I415 HydrophobicContact CE2-CB 3.96Å; Y342-I415 HydrophobicContact CE2-CG2 3.86Å; Y342-L420 HydrophobicContact CD1-CD1 4.45Å; Y342-L420 HydrophobicContact CD2-CD2 4.48Å; Y342-L420 HydrophobicContact CE1-CD1 3.82Å; Y342-L420 HydrophobicContact CE2-CD1 3.94Å; Y342-L420 HydrophobicContact CE2-CG 4.46Å
343	F	45.2	Very low	44.9	Very low	6 Å²	6	64 Å²	64	3%	0.026	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	4.5	-178.2	-74	-72.8	0	0	0	114.7	F339 R340 D341 G345 H346 F348 P349 L411	F339-F343 HydrophobicContact CD1-CE2 4.18Å; F339-F343 VanDerWaalsContact O-CD2 3.23Å; F339-F343 WeakPolarHBondContact O-CD2 3.47Å; R340-F343 PolarHBondContact O-N 3.21Å; D341-F343 VanDerWaalsContact C-N 3.32Å; D341-F343 PolarHBondContact O-N 3.27Å; F343-G345 PolarHBondContact O-N 3.44Å; F343-H346 VanDerWaalsContact O-CB 3.32Å; F343-H346 WeakPolarHBondContact O-CB 3.47Å; F343-H346 PolarHBondContact O-N 3.44Å; F343-F348 HydrophobicContact CD2-CD1 4.46Å; F343-F348 HydrophobicContact CE2-CD1 4.34Å; F343-P349 HydrophobicContact CE1-CG 3.87Å; F343-P349 HydrophobicContact CE2-CG 4.18Å; F343-P349 HydrophobicContact CZ-CG 3.36Å; F343-L411 HydrophobicContact CD1-CD2 3.88Å; F343-L411 HydrophobicContact CE1-CD2 3.34Å; F343-L411 HydrophobicContact CZ-CD2 4.11Å
344	E	36.7	Very low	46.9	Very low	119 Å²	119	61.6 Å²	61.6	56%	0.556	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	32.9	172	-149.2	171.9	-147.5	0	0	114.9	H346 L412	E344-H346 VanDerWaalsContact C-N 3.34Å; E344-L412 HydrophobicContact CB-CD1 4.43Å; E344-L412 HydrophobicContact CB-CD2 4.36Å; E344-L412 HydrophobicContact CB-CG 4.14Å; E344-L412 HydrophobicContact CG-CD2 4.27Å
345	G	36	Very low	49.1	Very low	54 Å²	54	59.2 Å²	59.2	56%	0.557	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-6.8	-177.5	0	0	0	0	0	115.4	F343	F343-G345 PolarHBondContact O-N 3.44Å
346	H	43.6	Very low	50.8	Low	40 Å²	40	58.3 Å²	58.3	19%	0.185	29%	0.293	C	S	.	.	S	Bend	trans	-76.4	168.7	169.5	-55.9	-53.7	0	0	0	112.1	F343 E344	F343-H346 VanDerWaalsContact O-CB 3.32Å; F343-H346 WeakPolarHBondContact O-CB 3.47Å; F343-H346 PolarHBondContact O-N 3.44Å; E344-H346 VanDerWaalsContact C-N 3.34Å
347	R	46.4	Very low	52.1	Low	92 Å²	92	57.9 Å²	57.9	35%	0.347	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-77.6	147.6	-174.7	-64.4	-175.1	-178.9	175.6	5	112.2	Y834	R347-Y834 PolarHBondContact NH1-O 2.94Å
348	F	52.1	Low	52.9	Low	66 Å²	66	55.9 Å²	55.9	29%	0.289	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-49.9	157.2	170.2	-79	-86.8	0	0	0	112.6	F317 V336 F339 F343 I350	F317-F348 HydrophobicContact CE1-CE2 4.5Å; F317-F348 HydrophobicContact CZ-CZ 4.38Å; V336-F348 HydrophobicContact CG1-CZ 4.1Å; F339-F348 HydrophobicContact CB-CE1 4.09Å; F339-F348 HydrophobicContact CD1-CD1 4.46Å; F339-F348 AromaticContact CD1-CE1 3.97Å; F339-F348 HydrophobicContact CD1-CE1 3.97Å; F339-F348 HydrophobicContact CG-CE1 4.41Å; F343-F348 HydrophobicContact CD2-CD1 4.46Å; F343-F348 HydrophobicContact CE2-CD1 4.34Å; F348-I350 PolarHBondContact O-N 3.44Å
349	P	55.4	Low	53	Low	43 Å²	43	58 Å²	58	28%	0.279	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-66.8	121.4	173.8	-15.5	31.5	0	0	0	110.1	F343 L406 R407 L791	F343-P349 HydrophobicContact CE1-CG 3.87Å; F343-P349 HydrophobicContact CE2-CG 4.18Å; F343-P349 HydrophobicContact CZ-CG 3.36Å; P349-L406 HydrophobicContact CB-CB 4.39Å; P349-R407 CarbonylContact C-O 3.17Å; P349-R407 VanDerWaalsContact CA-O 3.23Å; P349-R407 WeakPolarHBondContact CA-O 3.21Å; P349-L791 HydrophobicContact CB-CD1 4.11Å
350	I	62.9	Low	52.7	Low	29 Å²	29	61.8 Å²	61.8	15%	0.149	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.9	179.2	-57.2	166.5	0	0	0	108.7	L325 F348 S352 L406 R407 Y834	L325-I350 HydrophobicContact CD1-CG1 4.47Å; L325-I350 HydrophobicContact CD1-CG2 4.02Å; F348-I350 PolarHBondContact O-N 3.44Å; I350-S352 PolarHBondContact O-N 3.29Å; I350-L406 CarbonylContact O-C 3.6Å; I350-L406 WeakPolarHBondContact O-CA 3.36Å; I350-R407 PolarHBondContact N-O 3.27Å; I350-R407 PolarHBondContact O-N 2.95Å; I350-Y834 HydrophobicContact CB-CD1 4.38Å; I350-Y834 HydrophobicContact CB-CE1 3.66Å; I350-Y834 HydrophobicContact CD1-CD1 4.01Å; I350-Y834 HydrophobicContact CD1-CE1 4.12Å; I350-Y834 HydrophobicContact CG1-CE1 4.5Å; I350-Y834 HydrophobicContact CG2-CD1 4.34Å; I350-Y834 HydrophobicContact CG2-CE1 3.42Å; I350-Y834 VanDerWaalsContact CG2-CE1 3.42Å; I350-Y834 WeakPolarHBondContact CG2-OH 3.38Å
351	L	64.5	Low	52.3	Low	51 Å²	51	63.3 Å²	63.3	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.9	173.9	173.6	64.2	0	0	0	110.5	P328 W404 L406 Y834	P328-L351 HydrophobicContact CG-CD2 4.35Å; L351-W404 HydrophobicContact CD1-CB 4.24Å; L351-W404 HydrophobicContact CD1-CE3 3.84Å; L351-W404 HydrophobicContact CD2-CE3 3.6Å; L351-W404 HydrophobicContact CD2-CZ3 3.64Å; L351-W404 HydrophobicContact CG-CE3 4.39Å; L351-L406 HydrophobicContact CB-CD2 3.89Å; L351-L406 HydrophobicContact CD1-CD2 4.09Å; L351-Y834 PolarHBondContact O-OH 3.29Å
352	S	71.3	Confident	51.7	Low	1 Å²	1	63.4 Å²	63.4	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-54.5	179.8	-67.2	0	0	0	0	113.8	I350 I405 R407 Q829 Y834	I350-S352 PolarHBondContact O-N 3.29Å; S352-I405 PolarHBondContact N-O 2.81Å; S352-R407 PolarHBondContact OG-NE 3.3Å; S352-R407 VanDerWaalsContact OG-NE 3.15Å; S352-R407 PolarHBondContact OG-NH1 3.06Å; S352-R407 PolarHBondContact OG-NH2 3.11Å; S352-R407 VanDerWaalsContact OG-NH2 3.08Å; S352-Q829 PolarHBondContact O-NE2 2.83Å; S352-Y834 WeakPolarHBondContact CA-OH 3.14Å; S352-Y834 PolarHBondContact OG-OH 3.24Å
353	F	77.8	Confident	50.9	Low	21 Å²	21	72.4 Å²	72.4	9%	0.092	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.4	170.2	72.2	-75.4	0	0	0	112.4	I405 I774 M806 V809 Q810 L813	F353-I405 HydrophobicContact CD1-CB 4.35Å; F353-I405 HydrophobicContact CD1-CD1 3.93Å; F353-I405 HydrophobicContact CD2-CD1 4.21Å; F353-I405 HydrophobicContact CE1-CB 4.34Å; F353-I405 HydrophobicContact CE1-CD1 3.35Å; F353-I405 HydrophobicContact CE1-CG1 4.44Å; F353-I405 HydrophobicContact CE1-CG2 4.42Å; F353-I405 HydrophobicContact CE2-CD1 3.69Å; F353-I405 HydrophobicContact CG-CD1 4.32Å; F353-I405 HydrophobicContact CZ-CD1 3.21Å; F353-I405 PolarHBondContact O-N 2.8Å; F353-I774 HydrophobicContact CZ-CD1 3.94Å; F353-M806 HydrophobicContact CE1-CE 3.86Å; F353-V809 HydrophobicContact CE1-CG1 4.22Å; F353-V809 HydrophobicContact CZ-CG1 3.76Å; F353-Q810 HydrophobicContact CB-CG 4.36Å; F353-Q810 HydrophobicContact CD1-CG 3.43Å; F353-Q810 VanDerWaalsContact CD1-CG 3.43Å; F353-Q810 HydrophobicContact CD2-CG 3.91Å; F353-Q810 HydrophobicContact CE1-CG 3.47Å; F353-Q810 VanDerWaalsContact CE1-CG 3.47Å; F353-Q810 HydrophobicContact CE2-CG 3.94Å; F353-Q810 HydrophobicContact CG-CG 3.66Å; F353-Q810 HydrophobicContact CZ-CG 3.73Å; F353-L813 HydrophobicContact CE2-CD1 4.02Å; F353-L813 HydrophobicContact CZ-CD1 3.99Å
354	Y	75.8	Confident	50	Low	92 Å²	92	79.1 Å²	79.1	36%	0.361	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.4	172.1	170.4	-101.7	0	0	0	107.9	V403 W404	Y354-V403 WeakPolarHBondContact CA-O 3.43Å; Y354-W404 AromaticContact CD2-CD1 3.9Å; Y354-W404 AromaticContact CD2-CD2 3.61Å; Y354-W404 HydrophobicContact CD2-CD2 3.61Å; Y354-W404 AromaticContact CD2-CE2 3.51Å; Y354-W404 HydrophobicContact CD2-CE3 4.16Å; Y354-W404 AromaticContact CD2-CG 3.86Å; Y354-W404 HydrophobicContact CD2-CG 3.86Å; Y354-W404 HydrophobicContact CD2-CH2 4.46Å; Y354-W404 AromaticContact CD2-CZ2 3.97Å; Y354-W404 HydrophobicContact CD2-CZ2 3.97Å; Y354-W404 AromaticContact CD2-NE1 3.69Å; Y354-W404 HydrophobicContact CE2-CD2 4.22Å; Y354-W404 AromaticContact CE2-CE2 3.65Å; Y354-W404 HydrophobicContact CE2-CG 4.41Å; Y354-W404 HydrophobicContact CE2-CZ2 4.01Å; Y354-W404 AromaticContact CE2-NE1 3.52Å
355	Y	75.7	Confident	49.5	Very low	30 Å²	30	76.8 Å²	76.8	12%	0.118	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.2	175	-172.4	-106.6	0	0	0	110.1	G402 V403 I774 L813	Y355-G402 CarbonylContact O-C 3.38Å; Y355-G402 WeakPolarHBondContact O-CA 3.5Å; Y355-V403 PolarHBondContact N-O 2.93Å; Y355-V403 PolarHBondContact O-N 3.43Å; Y355-I774 HydrophobicContact CD1-CG2 3.6Å; Y355-I774 HydrophobicContact CE1-CG2 4.39Å; Y355-I774 HydrophobicContact CG-CG2 3.78Å; Y355-L813 HydrophobicContact CD2-CB 4.12Å; Y355-L813 HydrophobicContact CD2-CD1 4.13Å; Y355-L813 HydrophobicContact CE2-CB 3.8Å; Y355-L813 HydrophobicContact CE2-CD1 4.35Å; Y355-L813 HydrophobicContact CE2-CD2 4.16Å; Y355-L813 HydrophobicContact CE2-CG 4.34Å; Y355-L813 HydrophobicContact CG-CD1 4.4Å
356	S	67.8	Low	49	Very low	37 Å²	37	82.3 Å²	82.3	26%	0.259	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	129.8	169.9	59.6	0	0	0	0	110.7	S358	S356-S358 PolarHBondContact O-N 3.35Å
357	N	61	Low	48.2	Very low	68 Å²	68	85.8 Å²	85.8	36%	0.364	45%	0.449	S	S	.	.			trans	-75.8	84.9	-179.1	-169.2	-6.5	0	0	0	110.7	L359 S778	N357-L359 PolarHBondContact O-N 3.16Å; N357-S778 PolarHBondContact N-OG 3.47Å
358	S	48.8	Very low	47.3	Very low	71 Å²	71	88.5 Å²	88.5	50%	0.497	46%	0.461	S	S	.	.			trans	-86.2	62.6	-165.5	56.2	0	0	0	0	113.9	S356 V360 R989	S356-S358 PolarHBondContact O-N 3.35Å; S358-V360 PolarHBondContact O-N 3.11Å; S358-R989 PolarHBondContact O-NH1 3.15Å; S358-R989 PolarHBondContact O-NH2 3.38Å; S358-R989 PolarHBondContact OG-NH2 2.91Å
359	L	37.4	Very low	46.3	Very low	135 Å²	135	90.9 Å²	90.9	71%	0.707	47%	0.471	S	S	*	.			trans	-54.2	-13.7	-171.6	-106	157.6	0	0	0	117.4	N357	N357-L359 PolarHBondContact O-N 3.16Å
360	V	29.3	Very low	45	Very low	105 Å²	105	94.6 Å²	94.6	64%	0.636	48%	0.484	S	S	*	.	S	Bend	trans	-132.8	120.2	-168.1	-174.1	0	0	0	0	115.3	S358	S358-V360 PolarHBondContact O-N 3.11Å
361	H	28.1	Very low	43.2	Very low	166 Å²	166	98.3 Å²	98.3	77%	0.769	50%	0.497	S	S	*	.			trans	59.4	134.1	153.1	-73.1	-50.1	0	0	0	126.3
362	S	26.7	Very low	41.4	Very low	92 Å²	92	98.2 Å²	98.2	64%	0.643	50%	0.5	S	S	*	.			trans	98.4	77.2	130.5	69.4	0	0	0	0	121.9	N364	S362-N364 VanDerWaalsContact C-N 3.26Å; S362-N364 PolarHBondContact O-N 3.22Å
363	K	26.3	Very low	39.3	Very low	202 Å²	202	101.3 Å²	101.3	88%	0.878	52%	0.52	S	S	*	.	S	Bend	trans	36.1	-1.8	131	-73.3	-164.6	172.3	-171.5	0	124.2
364	N	25.6	Very low	36.8	Very low	148 Å²	148	108.1 Å²	108.1	79%	0.791	55%	0.546	S	S	*	.			trans	-120.1	18.3	-179.8	-81.1	-25	0	0	0	112.6	S362 N366	S362-N364 VanDerWaalsContact C-N 3.26Å; S362-N364 PolarHBondContact O-N 3.22Å; N364-N366 PolarHBondContact O-N 2.86Å
365	S	27.2	Very low	34.4	Very low	70 Å²	70	106.6 Å²	106.6	49%	0.49	55%	0.549	S	S	.	.			trans	-95.3	18.6	-159.1	52.6	0	0	0	0	117.1	L367 Y368	S365-L367 PolarHBondContact O-N 3.05Å; S365-Y368 PolarHBondContact O-N 2.73Å
366	N	25.8	Very low	32.1	Very low	170 Å²	170	112.8 Å²	112.8	91%	0.909	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	24.9	175.8	-69.9	-0.6	0	0	0	114.5	N364	N364-N366 PolarHBondContact O-N 2.86Å
367	L	27.3	Very low	30.1	Very low	112 Å²	112	116.5 Å²	116.5	59%	0.586	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.8	-1.6	-170.5	-86.6	160.9	0	0	0	113.9	S365	S365-L367 PolarHBondContact O-N 3.05Å
368	Y	27.3	Very low	28.3	Very low	150 Å²	150	117.5 Å²	117.5	59%	0.588	62%	0.622	S	S	*	*			trans	-100.5	11.1	-167.9	-78.7	-82.1	0	0	0	116.6	S365 Y371	S365-Y368 PolarHBondContact O-N 2.73Å; Y368-Y371 AromaticContact CD1-CD2 3.95Å; Y368-Y371 HydrophobicContact CD1-CD2 3.95Å; Y368-Y371 AromaticContact CD1-CE2 3.59Å; Y368-Y371 HydrophobicContact CD1-CE2 3.59Å; Y368-Y371 HydrophobicContact CE1-CD2 4.45Å; Y368-Y371 AromaticContact CE1-CE2 3.77Å; Y368-Y371 HydrophobicContact CE1-CE2 3.77Å; Y368-Y371 HydrophobicContact CG-CE2 4.45Å
369	K	30.7	Very low	27.2	Very low	115 Å²	115	120.1 Å²	120.1	50%	0.5	64%	0.635	S	S	.	*	S	Bend	trans	-83.6	-3	177.6	-113.7	168.8	170.1	162.9	0	114.8	E816 N817	K369-E816 WeakPolarHBondContact CE-OE2 3.32Å; K369-E816 IonicContact NZ-OE2 2.73Å; K369-E816 PolarHBondContact NZ-OE2 3.04Å; K369-N817 PolarHBondContact NZ-OD1 3.2Å
370	H	27.4	Very low	26.6	Very low	121 Å²	121	118.9 Å²	118.9	56%	0.56	63%	0.634	S	S	*	*			trans	-135.6	105.3	177.2	-56.9	-24.6	0	0	0	110.8
371	Y	25.9	Very low	26.5	Very low	107 Å²	107	118.2 Å²	118.2	42%	0.42	64%	0.639	S	S	.	*			trans	-147.8	118.7	168.9	-92.4	-79.1	0	0	0	110.9	Y368 S375	Y368-Y371 AromaticContact CD1-CD2 3.95Å; Y368-Y371 HydrophobicContact CD1-CD2 3.95Å; Y368-Y371 AromaticContact CD1-CE2 3.59Å; Y368-Y371 HydrophobicContact CD1-CE2 3.59Å; Y368-Y371 HydrophobicContact CE1-CD2 4.45Å; Y368-Y371 AromaticContact CE1-CE2 3.77Å; Y368-Y371 HydrophobicContact CE1-CE2 3.77Å; Y368-Y371 HydrophobicContact CG-CE2 4.45Å; Y371-S375 WeakPolarHBondContact CD1-OG 3.43Å
372	P	26.5	Very low	26.5	Very low	49 Å²	49	115.5 Å²	115.5	32%	0.318	63%	0.634	S	S	.	*			trans	-71.9	163.5	167.6	31.1	-35	0	0	0	111	Y374	P372-Y374 PolarHBondContact O-N 2.8Å
373	P	25.9	Very low	26.5	Very low	66 Å²	66	118.5 Å²	118.5	43%	0.429	64%	0.643	S	S	.	*	S	Bend	trans	-75.4	35.5	-168.2	31.7	-38.1	0	0	0	115.8	P328	P328-P373 HydrophobicContact CB-CG 3.9Å
374	Y	26.9	Very low	26.6	Very low	164 Å²	164	114.7 Å²	114.7	64%	0.643	64%	0.637	S	S	*	*			trans	-139.5	57.9	-176	-66.2	-71.2	0	0	0	113.6	P372	P372-Y374 PolarHBondContact O-N 2.8Å
375	S	25.8	Very low	26.7	Very low	61 Å²	61	115 Å²	115	43%	0.427	64%	0.639	S	S	.	*			trans	-148.1	39.5	170.1	73.5	0	0	0	0	115.1	Y371	Y371-S375 WeakPolarHBondContact CD1-OG 3.43Å
376	L	25.8	Very low	26.8	Very low	160 Å²	160	118 Å²	118	84%	0.838	65%	0.654	S	S	*	*	S	Bend	trans	-84.6	119.4	156.6	-94.9	162.8	0	0	0	108.1	A378	L376-A378 PolarHBondContact O-N 2.74Å
377	T	25.5	Very low	26.9	Very low	115 Å²	115	115.7 Å²	115.7	71%	0.706	65%	0.646	S	S	*	*			trans	-67.7	114.7	-170.1	46.1	0	0	0	0	111.9	T379	T377-T379 VanDerWaalsContact C-N 3.28Å; T377-T379 PolarHBondContact O-N 2.92Å
378	A	24.7	Very low	26.9	Very low	89 Å²	89	116 Å²	116	74%	0.736	65%	0.653	S	S	*	*			trans	-68.7	87.5	163.1	0	0	0	0	0	109.4	L376 T380	L376-A378 PolarHBondContact O-N 2.74Å; A378-T380 PolarHBondContact O-N 3.02Å
379	T	25.1	Very low	26.9	Very low	125 Å²	125	114.6 Å²	114.6	77%	0.767	66%	0.66	S	S	*	*			trans	-72.2	74.8	166	49	0	0	0	0	109	T377 A381	T377-T379 VanDerWaalsContact C-N 3.28Å; T377-T379 PolarHBondContact O-N 2.92Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 2.89Å
380	T	25.9	Very low	26.8	Very low	110 Å²	110	116.2 Å²	116.2	68%	0.675	68%	0.68	S	S	*	*			trans	-64.3	96.7	166.2	49.4	0	0	0	0	108.1	A378 T382	A378-T380 PolarHBondContact O-N 3.02Å; T380-T382 VanDerWaalsContact C-N 3.26Å; T380-T382 PolarHBondContact O-N 2.99Å
381	A	25.8	Very low	26.7	Very low	90 Å²	90	115.8 Å²	115.8	74%	0.744	69%	0.69	S	S	*	*			trans	-68.1	85.6	174.2	0	0	0	0	0	109.5	T379 N383	T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 2.89Å; A381-N383 PolarHBondContact O-N 3.2Å
382	T	27.7	Very low	26.7	Very low	109 Å²	109	116.7 Å²	116.7	67%	0.669	71%	0.709	S	S	*	*			trans	-71.2	108.9	171	48.8	0	0	0	0	108.6	T380 T384	T380-T382 VanDerWaalsContact C-N 3.26Å; T380-T382 PolarHBondContact O-N 2.99Å; T382-T384 PolarHBondContact O-N 3.27Å
383	N	26.6	Very low	26.7	Very low	155 Å²	155	121 Å²	121	83%	0.829	73%	0.734	S	S	*	*			trans	-60.9	101	178.2	-72.7	-21.7	0	0	0	111.4	A381	A381-N383 PolarHBondContact O-N 3.2Å
384	T	29.8	Very low	26.7	Very low	122 Å²	122	123.4 Å²	123.4	75%	0.748	75%	0.753	S	S	*	*			trans	-130.1	111.5	164.4	53.4	0	0	0	0	109	T382 T386	T382-T384 PolarHBondContact O-N 3.27Å; T384-T386 PolarHBondContact O-N 3.18Å
385	N	26.5	Very low	26.6	Very low	156 Å²	156	123.1 Å²	123.1	83%	0.834	76%	0.759	S	S	*	*			trans	-73.4	119.7	-173.4	-57	-29.5	0	0	0	111.9
386	T	30.7	Very low	26.6	Very low	132 Å²	132	125.9 Å²	125.9	81%	0.81	78%	0.776	S	S	*	*			trans	-161	120	145.7	15	0	0	0	0	112.9	T384	T384-T386 PolarHBondContact O-N 3.18Å
387	T	27.7	Very low	26.7	Very low	122 Å²	122	126.4 Å²	126.4	75%	0.748	78%	0.778	S	S	*	*			trans	-22.1	142.5	144.5	53.2	0	0	0	0	115.1
388	T	27.5	Very low	26.9	Very low	119 Å²	119	126.3 Å²	126.3	73%	0.73	78%	0.778	S	S	*	*			cis	-157.3	152	27.7	40	0	0	0	0	114.3
389	T	26	Very low	27.4	Very low	119 Å²	119	126.5 Å²	126.5	73%	0.73	77%	0.771	S	S	*	*			trans	36.4	105.1	145.1	62.7	0	0	0	0	121.6
390	T	29.4	Very low	28.5	Very low	150 Å²	150	130.6 Å²	130.6	92%	0.92	77%	0.773	S	S	*	*				178.3	148.6	107.6	27.9	0	0	0	0	109.7
391	S	24.5	Very low	30	Very low	111 Å²	111	129 Å²	129	78%	0.776	76%	0.757	S	S	*	*			trans	-122.1	151	-171.7	54.3	0	0	0	0	113.3
392	P	26.4	Very low	31.8	Very low	126 Å²	126	124.9 Å²	124.9	82%	0.818	72%	0.723	S	S	*	*			trans	-130.9	133.1	138.3	34.6	-23.6	0	0	0	113.3
393	V	25.7	Very low	33.9	Very low	140 Å²	140	119.7 Å²	119.7	85%	0.848	69%	0.691	S	S	*	*			trans	-5.3	124.7	165.2	-171.7	0	0	0	0	118.1
394	S	26.8	Very low	36.1	Very low	117 Å²	117	115.5 Å²	115.5	82%	0.818	66%	0.664	S	S	*	*			trans	-105.9	126.8	167.3	48.5	0	0	0	0	112.4
395	M	24	Very low	38.4	Very low	158 Å²	158	109.7 Å²	109.7	78%	0.778	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-85.9	152.7	167.6	-80.8	-172.5	173	0	0	111.6
396	P	25.6	Very low	40.6	Very low	119 Å²	119	104.2 Å²	104.2	77%	0.773	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-73.2	147.3	179.5	30.5	-35.5	0	0	0	112.7
397	L	29.1	Very low	42.6	Very low	170 Å²	170	98.2 Å²	98.2	89%	0.89	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-84.8	121.8	174.6	-73.6	89	0	0	0	111.2
398	V	29.6	Very low	44.5	Very low	114 Å²	114	92.5 Å²	92.5	69%	0.691	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-77.7	134.2	169.4	-178.9	0	0	0	0	109.6
399	P	35.6	Very low	46.3	Very low	92 Å²	92	87 Å²	87	60%	0.597	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-64.6	136.9	178.1	26.1	-34.5	0	0	0	112	F401	P399-F401 HydrophobicContact CB-CE2 4.1Å; P399-F401 HydrophobicContact CB-CZ 4.27Å; P399-F401 HydrophobicContact CG-CE2 3.94Å; P399-F401 HydrophobicContact CG-CZ 4.32Å
400	R	46.9	Very low	48.1	Very low	211 Å²	211	83.4 Å²	83.4	80%	0.796	47%	0.469	S	S	*	.			trans	-95	106.3	178.6	-63.9	178.2	-178.7	175.6	-1.6	110.2
401	F	57.3	Low	49.5	Very low	77 Å²	77	76.6 Å²	76.6	34%	0.338	43%	0.427	S	S	.	.			trans	-88.8	139.9	167.9	-59.4	-77.5	0	0	0	110	P399 P781	P399-F401 HydrophobicContact CB-CE2 4.1Å; P399-F401 HydrophobicContact CB-CZ 4.27Å; P399-F401 HydrophobicContact CG-CE2 3.94Å; P399-F401 HydrophobicContact CG-CZ 4.32Å; F401-P781 HydrophobicContact CB-CB 4.31Å; F401-P781 HydrophobicContact CB-CG 4.37Å; F401-P781 HydrophobicContact CD1-CB 3.69Å; F401-P781 HydrophobicContact CD1-CG 3.78Å; F401-P781 HydrophobicContact CD2-CG 3.97Å; F401-P781 HydrophobicContact CE1-CB 4.16Å; F401-P781 HydrophobicContact CE1-CG 3.98Å; F401-P781 HydrophobicContact CE2-CG 4.17Å; F401-P781 HydrophobicContact CG-CB 3.97Å; F401-P781 HydrophobicContact CG-CG 3.76Å; F401-P781 HydrophobicContact CZ-CG 4.17Å
402	G	63.9	Low	50.9	Low	4 Å²	4	74 Å²	74	4%	0.041	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160	-178.7	0	0	0	0	0	113.6	Y355 T788	Y355-G402 CarbonylContact O-C 3.38Å; Y355-G402 WeakPolarHBondContact O-CA 3.5Å; G402-T788 PolarHBondContact O-N 3.34Å; G402-T788 VanDerWaalsContact O-N 3.13Å
403	V	72.7	Confident	51.9	Low	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114	-171.5	-173.9	0	0	0	0	108.5	Y354 Y355 I405 I774 T788 I790	Y354-V403 WeakPolarHBondContact CA-O 3.43Å; Y355-V403 PolarHBondContact N-O 2.93Å; Y355-V403 PolarHBondContact O-N 3.43Å; V403-I405 HydrophobicContact CG1-CG1 4.28Å; V403-I774 HydrophobicContact CB-CG2 4.21Å; V403-I774 HydrophobicContact CG1-CG2 4.25Å; V403-I774 HydrophobicContact CG2-CG2 4.46Å; V403-T788 CarbonylContact C-O 3.59Å; V403-T788 WeakPolarHBondContact CA-O 3.4Å; V403-T788 HydrophobicContact CG1-CG2 4.21Å; V403-I790 HydrophobicContact CG1-CD1 3.61Å; V403-I790 HydrophobicContact CG1-CG1 3.84Å
404	W	72.9	Confident	52.8	Low	67 Å²	67	72.8 Å²	72.8	25%	0.254	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.3	175.4	-58	78.5	0	0	0	109.2	L351 Y354 T788 I789 I790	L351-W404 HydrophobicContact CD1-CB 4.24Å; L351-W404 HydrophobicContact CD1-CE3 3.84Å; L351-W404 HydrophobicContact CD2-CE3 3.6Å; L351-W404 HydrophobicContact CD2-CZ3 3.64Å; L351-W404 HydrophobicContact CG-CE3 4.39Å; Y354-W404 AromaticContact CD2-CD1 3.9Å; Y354-W404 AromaticContact CD2-CD2 3.61Å; Y354-W404 HydrophobicContact CD2-CD2 3.61Å; Y354-W404 AromaticContact CD2-CE2 3.51Å; Y354-W404 HydrophobicContact CD2-CE3 4.16Å; Y354-W404 AromaticContact CD2-CG 3.86Å; Y354-W404 HydrophobicContact CD2-CG 3.86Å; Y354-W404 HydrophobicContact CD2-CH2 4.46Å; Y354-W404 AromaticContact CD2-CZ2 3.97Å; Y354-W404 HydrophobicContact CD2-CZ2 3.97Å; Y354-W404 AromaticContact CD2-NE1 3.69Å; Y354-W404 HydrophobicContact CE2-CD2 4.22Å; Y354-W404 AromaticContact CE2-CE2 3.65Å; Y354-W404 HydrophobicContact CE2-CG 4.41Å; Y354-W404 HydrophobicContact CE2-CZ2 4.01Å; Y354-W404 AromaticContact CE2-NE1 3.52Å; W404-T788 PolarHBondContact N-O 3.13Å; W404-I789 HydrophobicContact CB-CG1 4.18Å; W404-I789 CarbonylContact O-C 3.57Å; W404-I789 WeakPolarHBondContact O-CA 3.22Å; W404-I790 PolarHBondContact O-N 3.23Å
405	I	78.1	Confident	53.5	Low	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	108.3	-177	-65.4	149	0	0	0	109.8	S352 F353 V403 I774 I790 L792 M806	S352-I405 PolarHBondContact N-O 2.81Å; F353-I405 HydrophobicContact CD1-CB 4.35Å; F353-I405 HydrophobicContact CD1-CD1 3.93Å; F353-I405 HydrophobicContact CD2-CD1 4.21Å; F353-I405 HydrophobicContact CE1-CB 4.34Å; F353-I405 HydrophobicContact CE1-CD1 3.35Å; F353-I405 HydrophobicContact CE1-CG1 4.44Å; F353-I405 HydrophobicContact CE1-CG2 4.42Å; F353-I405 HydrophobicContact CE2-CD1 3.69Å; F353-I405 HydrophobicContact CG-CD1 4.32Å; F353-I405 HydrophobicContact CZ-CD1 3.21Å; F353-I405 PolarHBondContact O-N 2.8Å; V403-I405 HydrophobicContact CG1-CG1 4.28Å; I405-I774 HydrophobicContact CD1-CD1 3.38Å; I405-I774 HydrophobicContact CD1-CG1 3.81Å; I405-I774 HydrophobicContact CD1-CG2 4.34Å; I405-I774 HydrophobicContact CG1-CD1 4.37Å; I405-I790 WeakPolarHBondContact CA-O 3.49Å; I405-I790 HydrophobicContact CG1-CB 4.25Å; I405-L792 HydrophobicContact CG2-CD1 3.74Å; I405-M806 HydrophobicContact CG2-CE 4.19Å; I405-M806 HydrophobicContact CG2-SD 3.75Å
406	L	72.1	Confident	54.5	Low	40 Å²	40	67.4 Å²	67.4	21%	0.209	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.3	175.8	-56.5	179	0	0	0	109.7	P349 I350 L351 I789 I790 L791 L792	P349-L406 HydrophobicContact CB-CB 4.39Å; I350-L406 CarbonylContact O-C 3.6Å; I350-L406 WeakPolarHBondContact O-CA 3.36Å; L351-L406 HydrophobicContact CB-CD2 3.89Å; L351-L406 HydrophobicContact CD1-CD2 4.09Å; L406-I789 HydrophobicContact CD1-CG2 3.71Å; L406-I789 HydrophobicContact CG-CG2 3.98Å; L406-I790 PolarHBondContact N-O 2.87Å; L406-L791 HydrophobicContact CB-CD1 3.8Å; L406-L792 PolarHBondContact O-N 3.03Å
407	R	72.9	Confident	55.5	Low	7 Å²	7	63.8 Å²	63.8	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134	171.2	-56.9	-165.9	-151.3	123.1	13.7	112.5	P349 I350 S352 L792 M806 E830	P349-R407 CarbonylContact C-O 3.17Å; P349-R407 VanDerWaalsContact CA-O 3.23Å; P349-R407 WeakPolarHBondContact CA-O 3.21Å; I350-R407 PolarHBondContact N-O 3.27Å; I350-R407 PolarHBondContact O-N 2.95Å; S352-R407 PolarHBondContact OG-NE 3.3Å; S352-R407 VanDerWaalsContact OG-NE 3.15Å; S352-R407 PolarHBondContact OG-NH1 3.06Å; S352-R407 PolarHBondContact OG-NH2 3.11Å; S352-R407 VanDerWaalsContact OG-NH2 3.08Å; R407-L792 CarbonylContact C-O 3.4Å; R407-L792 WeakPolarHBondContact CA-O 3.37Å; R407-L792 HydrophobicContact CG-CB 4.47Å; R407-M806 HydrophobicContact CG-SD 4.34Å; R407-M806 PolarHBondContact NE-SD 2.7Å; R407-E830 IonicContact CZ-OE2 3.82Å; R407-E830 IonicContact NH1-OE2 3.34Å; R407-E830 PolarHBondContact NH1-OE2 3.14Å; R407-E830 IonicContact NH2-OE1 3.82Å; R407-E830 PolarHBondContact NH2-OE1 3.31Å; R407-E830 IonicContact NH2-OE2 2.65Å; R407-E830 PolarHBondContact NH2-OE2 3.39Å
408	S	66.9	Low	56	Low	2 Å²	2	58.1 Å²	58.1	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	161.5	166.7	73.6	0	0	0	0	111.5	L792 S793 Q802	S408-L792 PolarHBondContact N-O 3.46Å; S408-S793 WeakPolarHBondContact OG-CB 3.16Å; S408-Q802 PolarHBondContact O-NE2 3.44Å
409	G	66.1	Low	56.5	Low	2 Å²	2	58.9 Å²	58.9	2%	0.021	29%	0.294	C	S	.	.	S	Bend	trans	-68.1	-156.5	159.1	0	0	0	0	0	111.7	G794 D796	G409-G794 CarbonylContact C-O 3.56Å; G409-D796 WeakPolarHBondContact CA-O 3.4Å
410	N	64	Low	56.8	Low	45 Å²	45	56.1 Å²	56.1	24%	0.241	27%	0.274	C	S	.	.			trans	-58.4	145.2	179.8	-174	44.7	0	0	0	112.2	G794 D796	N410-G794 VanDerWaalsContact CA-O 3.22Å; N410-G794 WeakPolarHBondContact CA-O 3.46Å; N410-G794 PolarHBondContact N-O 2.67Å; N410-D796 PolarHBondContact N-O 2.9Å; N410-D796 VanDerWaalsContact N-O 3.13Å
411	L	59.5	Low	56.5	Low	7 Å²	7	49 Å²	49	4%	0.037	25%	0.251	C	S	.	.			trans	-113.2	132.7	178.4	-76.5	173.4	0	0	0	109.4	Y342 F343 T413 H439 L791 S793	Y342-L411 HydrophobicContact CD1-CD2 4.28Å; Y342-L411 HydrophobicContact CE1-CD2 3.41Å; Y342-L411 VanDerWaalsContact CE1-CD2 3.41Å; F343-L411 HydrophobicContact CD1-CD2 3.88Å; F343-L411 HydrophobicContact CE1-CD2 3.34Å; F343-L411 HydrophobicContact CZ-CD2 4.11Å; L411-T413 WeakPolarHBondContact O-CG2 3.38Å; L411-T413 PolarHBondContact O-N 3.17Å; L411-H439 VanDerWaalsContact CD1-NE2 3.31Å; L411-H439 WeakPolarHBondContact CD1-NE2 2.9Å; L411-L791 HydrophobicContact CD1-CD2 4.48Å; L411-S793 VanDerWaalsContact CD1-CB 3.44Å; L411-S793 WeakPolarHBondContact CD1-OG 3.43Å
412	L	52.2	Low	55.5	Low	55 Å²	55	50 Å²	50	29%	0.288	26%	0.261	S	S	.	.			trans	-57.4	123.1	168.6	-80.9	175.5	0	0	0	109.6	D341 E344 D414	D341-L412 WeakPolarHBondContact O-CD1 3.08Å; E344-L412 HydrophobicContact CB-CD1 4.43Å; E344-L412 HydrophobicContact CB-CD2 4.36Å; E344-L412 HydrophobicContact CB-CG 4.14Å; E344-L412 HydrophobicContact CG-CD2 4.27Å; L412-D414 VanDerWaalsContact C-N 3.27Å; L412-D414 PolarHBondContact O-N 3.23Å
413	T	47.7	Very low	53.8	Low	94 Å²	94	51.9 Å²	51.9	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.7	-158	52.7	0	0	0	0	115.2	L411	L411-T413 WeakPolarHBondContact O-CG2 3.38Å; L411-T413 PolarHBondContact O-N 3.17Å
414	D	45.7	Very low	51.9	Low	148 Å²	148	56.3 Å²	56.3	79%	0.791	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	2.5	-158.1	-62.8	9.3	0	0	0	112.5	L412	L412-D414 VanDerWaalsContact C-N 3.27Å; L412-D414 PolarHBondContact O-N 3.23Å
415	I	41.2	Very low	49.9	Very low	68 Å²	68	60.7 Å²	60.7	35%	0.349	32%	0.324	S	S	.	.	S	Bend	trans	-107.8	125.5	179.9	-63.8	172.7	0	0	0	109.4	Y342 I417	Y342-I415 HydrophobicContact CD2-CB 4.18Å; Y342-I415 HydrophobicContact CD2-CD1 3.95Å; Y342-I415 HydrophobicContact CD2-CG2 4.03Å; Y342-I415 HydrophobicContact CE2-CB 3.96Å; Y342-I415 HydrophobicContact CE2-CG2 3.86Å; I415-I417 PolarHBondContact O-N 2.91Å
416	N	44.3	Very low	47.6	Very low	93 Å²	93	68.9 Å²	68.9	50%	0.497	36%	0.363	S	S	.	.			trans	-71.1	126.8	178.7	-176.8	15.9	0	0	0	110.7	N418 Q419	N416-N418 PolarHBondContact O-N 2.82Å; N416-N418 PolarHBondContact OD1-OD1 2.95Å; N416-Q419 WeakPolarHBondContact O-CB 3.32Å; N416-Q419 PolarHBondContact O-N 3.49Å
417	I	47.7	Very low	45.6	Very low	44 Å²	44	72.6 Å²	72.6	23%	0.226	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.7	-177.1	-65.7	174.9	0	0	0	112.4	I415 Q419 L420 I421 H439	I415-I417 PolarHBondContact O-N 2.91Å; I417-Q419 PolarHBondContact O-N 3.33Å; I417-Q419 VanDerWaalsContact O-N 3.16Å; I417-L420 WeakPolarHBondContact O-CB 3.15Å; I417-L420 PolarHBondContact O-N 3.31Å; I417-I421 HydrophobicContact CG2-CD1 4.01Å; I417-H439 HydrophobicContact CD1-CB 3.98Å
418	N	38.3	Very low	43.5	Very low	50 Å²	50	77.3 Å²	77.3	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-51.2	-38.4	174.2	-58.2	17.8	0	0	0	112.4	N416 L420 I421 D422	N416-N418 PolarHBondContact O-N 2.82Å; N416-N418 PolarHBondContact OD1-OD1 2.95Å; N418-L420 PolarHBondContact O-N 3.39Å; N418-L420 VanDerWaalsContact O-N 3.1Å; N418-I421 PolarHBondContact O-N 3.31Å; N418-D422 PolarHBondContact O-N 2.77Å
419	Q	41.6	Very low	41.6	Very low	130 Å²	130	83 Å²	83	61%	0.607	45%	0.451	S	S	*	.	H	α-helix	trans	-64.1	-17.6	-180	-64.7	-174.5	-11.4	0	0	114.1	N416 I417	N416-Q419 WeakPolarHBondContact O-CB 3.32Å; N416-Q419 PolarHBondContact O-N 3.49Å; I417-Q419 PolarHBondContact O-N 3.33Å; I417-Q419 VanDerWaalsContact O-N 3.16Å
420	L	40.1	Very low	39.7	Very low	35 Å²	35	87.9 Å²	87.9	18%	0.183	49%	0.485	C	S	.	.	H	α-helix	trans	-83.8	-19.4	171.7	-65.1	171	0	0	0	112.8	F332 F339 Y342 I417 N418	F332-L420 VanDerWaalsContact CD1-O 3.24Å; F332-L420 WeakPolarHBondContact CD1-O 3.37Å; F332-L420 HydrophobicContact CE1-CB 4.46Å; F332-L420 VanDerWaalsContact CE1-O 3.3Å; F332-L420 WeakPolarHBondContact CE1-O 3.44Å; F339-L420 HydrophobicContact CE1-CD2 4.18Å; F339-L420 HydrophobicContact CE2-CD2 3.99Å; F339-L420 HydrophobicContact CZ-CD2 3.76Å; Y342-L420 HydrophobicContact CD1-CD1 4.45Å; Y342-L420 HydrophobicContact CD2-CD2 4.48Å; Y342-L420 HydrophobicContact CE1-CD1 3.82Å; Y342-L420 HydrophobicContact CE2-CD1 3.94Å; Y342-L420 HydrophobicContact CE2-CG 4.46Å; I417-L420 WeakPolarHBondContact O-CB 3.15Å; I417-L420 PolarHBondContact O-N 3.31Å; N418-L420 PolarHBondContact O-N 3.39Å; N418-L420 VanDerWaalsContact O-N 3.1Å
421	I	41.2	Very low	38.2	Very low	61 Å²	61	93.4 Å²	93.4	31%	0.313	51%	0.514	S	S	.	.	H	α-helix	trans	-106.7	-32.1	-167.8	-59.5	174.7	0	0	0	111.7	I417 N418 C423 I437	I417-I421 HydrophobicContact CG2-CD1 4.01Å; N418-I421 PolarHBondContact O-N 3.31Å; I421-C423 PolarHBondContact O-N 3.2Å; I421-I437 HydrophobicContact CD1-CD1 3.77Å
422	D	36.2	Very low	37.1	Very low	99 Å²	99	101.1 Å²	101.1	53%	0.529	55%	0.55	S	S	.	.			trans	-73.9	42.7	-173.6	-60.6	-24	0	0	0	114.1	N418	N418-D422 PolarHBondContact O-N 2.77Å
423	C	28.9	Very low	36.8	Very low	42 Å²	42	104.7 Å²	104.7	28%	0.284	57%	0.565	S	S	.	*			trans	-115.3	15.8	-176.5	-76.4	0	0	0	0	114.3	I421	I421-C423 PolarHBondContact O-N 3.2Å
424	N	32.1	Very low	36.8	Very low	93 Å²	93	107.7 Å²	107.7	50%	0.497	57%	0.566	S	S	.	*			trans	-104.1	-1.8	-166.6	-84.4	-45.9	0	0	0	116.8	Q426	N424-Q426 PolarHBondContact O-N 2.87Å
425	D	31.3	Very low	37.3	Very low	160 Å²	160	103.8 Å²	103.8	86%	0.856	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	10.7	-171.1	-69.5	-1.8	0	0	0	117.2
426	Q	30.6	Very low	38.3	Very low	172 Å²	172	102.9 Å²	102.9	80%	0.804	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.6	27.7	-174.7	-65.1	-166.3	-12.6	0	0	115	N424	N424-Q426 PolarHBondContact O-N 2.87Å
427	L	29	Very low	39.4	Very low	118 Å²	118	102.2 Å²	102.2	62%	0.618	53%	0.534	S	S	*	.	S	Bend	trans	-130.6	131.3	173.7	-87.4	138.6	0	0	0	112.4	T429	L427-T429 PolarHBondContact O-N 3.19Å
428	S	28.8	Very low	40.4	Very low	105 Å²	105	102.3 Å²	102.3	73%	0.734	53%	0.533	S	S	*	.			trans	-86.8	109.2	-164	54.3	0	0	0	0	114.6	S430	S428-S430 PolarHBondContact O-N 3.07Å
429	T	26.5	Very low	41.9	Very low	123 Å²	123	102.9 Å²	102.9	76%	0.755	53%	0.534	S	S	*	.			trans	28.1	86.6	139.8	57.4	0	0	0	0	118.6	L427	L427-T429 PolarHBondContact O-N 3.19Å
430	S	27.7	Very low	43.3	Very low	104 Å²	104	97 Å²	97	73%	0.727	51%	0.506	S	S	*	.	S	Bend		-165.2	143.4	128.6	41.1	0	0	0	0	109.4	S428	S428-S430 PolarHBondContact O-N 3.07Å
431	N	32.5	Very low	44.7	Very low	161 Å²	161	99.8 Å²	99.8	86%	0.861	52%	0.517	S	S	*	.			trans	54.1	57.4	178.3	-58.9	-13.8	0	0	0	116.2	Q433	N431-Q433 PolarHBondContact O-N 3.24Å
432	Q	35.2	Very low	46	Very low	168 Å²	168	97.1 Å²	97.1	79%	0.785	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-74.7	117.2	168.6	-74.2	-177.1	-17.1	0	0	111.2
433	Q	46.4	Very low	47	Very low	131 Å²	131	93.6 Å²	93.6	61%	0.612	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-85.8	129.3	171.2	-61.9	-176.5	-13.3	0	0	110.1	N431	N431-Q433 PolarHBondContact O-N 3.24Å
434	R	47.8	Very low	48.1	Very low	157 Å²	157	95.8 Å²	95.8	59%	0.592	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-87.1	132.9	171.7	-68.8	178.1	175.3	-178.6	-0.9	109.6	N784 Y785 N786	R434-N784 WeakPolarHBondContact CB-O 3.38Å; R434-N784 VanDerWaalsContact CD-O 3.24Å; R434-N784 WeakPolarHBondContact CD-O 3.29Å; R434-Y785 HydrophobicContact CB-CD1 3.89Å; R434-Y785 HydrophobicContact CB-CE1 4.4Å; R434-N786 PolarHBondContact O-N 3.28Å
435	L	55.8	Low	48.8	Very low	66 Å²	66	92.5 Å²	92.5	35%	0.346	48%	0.475	S	S	.	.			trans	-125.4	133.2	179.1	-66.4	169.8	0	0	0	110	Y785 I789	L435-Y785 VanDerWaalsContact C-CD1 3.41Å; L435-I789 HydrophobicContact CB-CD1 4.35Å; L435-I789 HydrophobicContact CD1-CD1 4.16Å
436	F	63.3	Low	49.1	Very low	49 Å²	49	90.3 Å²	90.3	22%	0.215	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.3	179.9	177.2	-106.1	0	0	0	109.9	K438 Y777 M782 Y785 G787 T788 I789	F436-K438 HydrophobicContact CE1-CB 3.99Å; F436-Y777 HydrophobicContact CD1-CE1 4.22Å; F436-Y777 AromaticContact CE1-CE1 3.66Å; F436-Y777 HydrophobicContact CE1-CE1 3.66Å; F436-M782 HydrophobicContact CD1-CG 4.09Å; F436-M782 HydrophobicContact CD2-CB 4.48Å; F436-M782 HydrophobicContact CD2-CG 4.25Å; F436-M782 HydrophobicContact CE1-CG 4.2Å; F436-M782 HydrophobicContact CE2-CG 4.36Å; F436-M782 HydrophobicContact CG-CB 4.37Å; F436-M782 HydrophobicContact CG-CG 4.12Å; F436-M782 HydrophobicContact CZ-CG 4.34Å; F436-Y785 HydrophobicContact CB-CD1 3.83Å; F436-Y785 HydrophobicContact CB-CD2 4.25Å; F436-Y785 HydrophobicContact CB-CE1 4.28Å; F436-Y785 HydrophobicContact CB-CG 3.8Å; F436-Y785 HydrophobicContact CD2-CE2 4.3Å; F436-G787 PolarHBondContact N-O 2.95Å; F436-T788 HydrophobicContact CD1-CG2 4.03Å; F436-T788 CarbonylContact O-C 3.58Å; F436-T788 WeakPolarHBondContact O-CA 3.38Å; F436-I789 PolarHBondContact O-N 3.16Å
437	I	66.5	Low	49.7	Very low	78 Å²	78	87.8 Å²	87.8	40%	0.4	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.4	-178.9	-58.2	171.5	0	0	0	109.8	I421 I789	I421-I437 HydrophobicContact CD1-CD1 3.77Å; I437-I789 CarbonylContact C-O 3.56Å; I437-I789 WeakPolarHBondContact CA-O 3.31Å; I437-I789 HydrophobicContact CG1-CB 4.23Å; I437-I789 HydrophobicContact CG1-CD1 4.27Å
438	K	69.1	Low	50.5	Low	47 Å²	47	82.6 Å²	82.6	20%	0.204	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.5	169.9	175	75.7	171.8	-168.6	0	108.5	F436 I440 E530 Y777 I789 I790 L791	F436-K438 HydrophobicContact CE1-CB 3.99Å; K438-I440 HydrophobicContact CG-CD1 4.42Å; K438-I440 HydrophobicContact CG-CG1 3.98Å; K438-E530 IonicContact NZ-OE1 3.23Å; K438-E530 PolarHBondContact NZ-OE1 2.86Å; K438-Y777 HydrophobicContact CG-CE2 4.38Å; K438-I789 PolarHBondContact N-O 2.68Å; K438-I790 WeakPolarHBondContact O-CA 3.24Å; K438-L791 PolarHBondContact O-N 3.46Å
439	H	70	Confident	51.1	Low	62 Å²	62	79.6 Å²	79.6	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.3	168.6	-177	-145.1	0	0	0	109.6	L411 I417 L791 S793	L411-H439 VanDerWaalsContact CD1-NE2 3.31Å; L411-H439 WeakPolarHBondContact CD1-NE2 2.9Å; I417-H439 HydrophobicContact CD1-CB 3.98Å; H439-L791 PolarHBondContact CD2-O 3.1Å; H439-S793 PolarHBondContact NE2-OG 2.91Å
440	I	71.3	Confident	51.8	Low	6 Å²	6	79.1 Å²	79.1	3%	0.031	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	98.8	171.3	-58.6	-176.8	0	0	0	106.9	K438 L442 W532 L773 I790 L791 L792 S793	K438-I440 HydrophobicContact CG-CD1 4.42Å; K438-I440 HydrophobicContact CG-CG1 3.98Å; I440-L442 HydrophobicContact CG2-CD2 3.61Å; I440-L442 HydrophobicContact CG2-CG 4.17Å; I440-L442 PolarHBondContact O-N 3.21Å; I440-W532 HydrophobicContact CG2-CD2 4.39Å; I440-W532 HydrophobicContact CG2-CG 4.1Å; I440-L773 HydrophobicContact CD1-CD1 4.25Å; I440-I790 HydrophobicContact CD1-CG2 3.65Å; I440-I790 HydrophobicContact CG1-CG2 4.04Å; I440-L791 PolarHBondContact N-O 3.18Å; I440-L792 HydrophobicContact CB-CD2 3.84Å; I440-L792 HydrophobicContact CD1-CD2 4.29Å; I440-L792 HydrophobicContact CG2-CD2 3.86Å; I440-S793 PolarHBondContact O-N 3.18Å; I440-S793 VanDerWaalsContact O-N 3.08Å
441	K	69.2	Low	52.6	Low	94 Å²	94	78.7 Å²	78.7	41%	0.409	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	95	172.4	-167.5	-173.9	179.4	-171.4	0	109.6
442	L	67.1	Low	53.4	Low	5 Å²	5	73.6 Å²	73.6	3%	0.026	35%	0.349	C	S	.	.			trans	-67.6	136.8	174.7	-48.4	163.3	0	0	0	108.8	I440 W532 I534 L792 S793 W801 L805	I440-L442 HydrophobicContact CG2-CD2 3.61Å; I440-L442 HydrophobicContact CG2-CG 4.17Å; I440-L442 PolarHBondContact O-N 3.21Å; L442-W532 HydrophobicContact CB-CB 4.43Å; L442-W532 HydrophobicContact CD2-CB 3.37Å; L442-W532 HydrophobicContact CD2-CD2 3.99Å; L442-W532 HydrophobicContact CD2-CE3 3.94Å; L442-W532 HydrophobicContact CD2-CG 3.77Å; L442-W532 HydrophobicContact CG-CB 4.45Å; L442-I534 HydrophobicContact CB-CD1 3.29Å; L442-I534 HydrophobicContact CB-CG1 4Å; L442-I534 HydrophobicContact CD1-CD1 4.19Å; L442-I534 HydrophobicContact CG-CD1 4.36Å; L442-L792 HydrophobicContact CD1-CB 4.45Å; L442-L792 HydrophobicContact CD1-CD2 3.99Å; L442-L792 HydrophobicContact CD2-CD2 4.04Å; L442-L792 HydrophobicContact CG-CD2 4.22Å; L442-S793 WeakPolarHBondContact CB-O 3.46Å; L442-S793 WeakPolarHBondContact CG-O 3.39Å; L442-S793 PolarHBondContact N-O 2.9Å; L442-W801 HydrophobicContact CD1-CH2 3.56Å; L442-W801 HydrophobicContact CD1-CZ3 3.61Å; L442-L805 HydrophobicContact CD1-CD2 4.46Å
443	S	57.5	Low	53.8	Low	25 Å²	25	72.2 Å²	72.2	18%	0.175	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-133.2	162.1	-162.1	69.6	0	0	0	0	113.3	W532	S443-W532 PolarHBondContact N-O 3.48Å; S443-W532 PolarHBondContact OG-O 3.28Å
444	F	51.6	Low	53.5	Low	88 Å²	88	72.7 Å²	72.7	39%	0.386	35%	0.347	S	S	.	.			trans	-87.1	131.9	164.7	-63.2	-47.2	0	0	0	109.7	K536 P795	F444-K536 HydrophobicContact CD1-CG 4.06Å; F444-K536 HydrophobicContact CE1-CD 3.93Å; F444-K536 HydrophobicContact CE1-CG 3.24Å; F444-K536 HydrophobicContact CZ-CD 3.96Å; F444-K536 HydrophobicContact CZ-CG 3.57Å; F444-P795 HydrophobicContact CD1-CG 4.11Å; F444-P795 HydrophobicContact CD2-CB 4.34Å; F444-P795 HydrophobicContact CD2-CG 4.34Å; F444-P795 HydrophobicContact CE1-CB 4.04Å; F444-P795 HydrophobicContact CE1-CG 3.43Å; F444-P795 VanDerWaalsContact CE1-CG 3.43Å; F444-P795 HydrophobicContact CE2-CB 3.46Å; F444-P795 VanDerWaalsContact CE2-CB 3.46Å; F444-P795 HydrophobicContact CE2-CG 3.73Å; F444-P795 HydrophobicContact CZ-CB 3.28Å; F444-P795 HydrophobicContact CZ-CG 3.24Å
445	S	47.1	Very low	52.8	Low	23 Å²	23	72.1 Å²	72.1	16%	0.161	35%	0.345	C	S	.	.			trans	-106.8	157	160.3	66.8	0	0	0	0	110.8	H447 L448 L533	S445-H447 PolarHBondContact O-N 3.04Å; S445-H447 PolarHBondContact OG-N 2.96Å; S445-L448 PolarHBondContact O-N 3.32Å; S445-L533 VanDerWaalsContact CB-CD2 3.43Å; S445-L533 WeakPolarHBondContact OG-CD1 3.3Å; S445-L533 WeakPolarHBondContact OG-CD2 3.45Å
446	D	38.6	Very low	51.7	Low	115 Å²	115	76.1 Å²	76.1	62%	0.615	37%	0.367	S	S	*	.	H	α-helix	trans	-68.7	-17	170.1	-74.2	-62.1	0	0	0	113.1	L448 N449 E450	D446-L448 PolarHBondContact O-N 3.44Å; D446-N449 CarbonylContact O-C 3.35Å; D446-N449 VanDerWaalsContact O-CA 3.27Å; D446-N449 WeakPolarHBondContact O-CA 3.39Å; D446-N449 VanDerWaalsContact O-CB 3.25Å; D446-N449 WeakPolarHBondContact O-CB 3.42Å; D446-N449 PolarHBondContact O-N 3.01Å; D446-N449 PolarHBondContact OD1-ND2 3.49Å; D446-E450 PolarHBondContact O-N 3.14Å
447	H	42.5	Very low	50.2	Low	119 Å²	119	80.7 Å²	80.7	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-61.7	-28.3	173.3	-57.5	-47.4	0	0	0	113.2	S445 E450 L451	S445-H447 PolarHBondContact O-N 3.04Å; S445-H447 PolarHBondContact OG-N 2.96Å; H447-E450 IonicContact CE1-OE2 3.75Å; H447-E450 IonicContact CG-OE2 2.67Å; H447-E450 IonicContact ND1-OE2 3.15Å; H447-E450 PolarHBondContact ND1-OE2 3.06Å; H447-E450 PolarHBondContact O-N 3.26Å; H447-L451 WeakPolarHBondContact O-CG 3.38Å; H447-L451 PolarHBondContact O-N 3.1Å
448	L	46.4	Very low	48.4	Very low	8 Å²	8	80.3 Å²	80.3	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-68.7	-40.6	168.4	-72.6	163.5	0	0	0	110.9	S445 D446 E450 L451 F452 L533 I534	S445-L448 PolarHBondContact O-N 3.32Å; D446-L448 PolarHBondContact O-N 3.44Å; L448-E450 PolarHBondContact O-N 3Å; L448-L451 HydrophobicContact CD2-CD1 4.24Å; L448-L451 PolarHBondContact O-N 2.88Å; L448-F452 HydrophobicContact CD2-CE2 4.38Å; L448-F452 WeakPolarHBondContact O-CD2 3.49Å; L448-F452 PolarHBondContact O-N 2.89Å; L448-L533 HydrophobicContact CD1-CB 4.22Å; L448-I534 WeakPolarHBondContact CD1-O 3.49Å
449	N	40.8	Very low	46.5	Very low	42 Å²	42	87.7 Å²	87.7	23%	0.225	43%	0.432	C	S	.	.	H	α-helix	trans	-64.3	-25.9	172.2	-62.3	-43	0	0	0	112.2	D446 K453	D446-N449 CarbonylContact O-C 3.35Å; D446-N449 VanDerWaalsContact O-CA 3.27Å; D446-N449 WeakPolarHBondContact O-CA 3.39Å; D446-N449 VanDerWaalsContact O-CB 3.25Å; D446-N449 WeakPolarHBondContact O-CB 3.42Å; D446-N449 PolarHBondContact O-N 3.01Å; D446-N449 PolarHBondContact OD1-ND2 3.49Å; N449-K453 WeakPolarHBondContact O-CB 3.39Å; N449-K453 WeakPolarHBondContact O-CD 3.37Å; N449-K453 WeakPolarHBondContact O-CE 3.09Å; N449-K453 WeakPolarHBondContact O-CG 3.14Å
450	E	40.5	Very low	44.5	Very low	114 Å²	114	89.5 Å²	89.5	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-77.2	-45.6	173.8	-67	179.4	128.9	0	0	112	D446 H447 L448 F452 K453	D446-E450 PolarHBondContact O-N 3.14Å; H447-E450 IonicContact CE1-OE2 3.75Å; H447-E450 IonicContact CG-OE2 2.67Å; H447-E450 IonicContact ND1-OE2 3.15Å; H447-E450 PolarHBondContact ND1-OE2 3.06Å; H447-E450 PolarHBondContact O-N 3.26Å; L448-E450 PolarHBondContact O-N 3Å; E450-F452 PolarHBondContact O-N 2.82Å; E450-K453 PolarHBondContact O-N 2.84Å
451	L	45.8	Very low	42.4	Very low	95 Å²	95	92.5 Å²	92.5	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-53	-40	175.6	-77.7	163.7	0	0	0	112	H447 L448 N755	H447-L451 WeakPolarHBondContact O-CG 3.38Å; H447-L451 PolarHBondContact O-N 3.1Å; L448-L451 HydrophobicContact CD2-CD1 4.24Å; L448-L451 PolarHBondContact O-N 2.88Å; L451-N755 PolarHBondContact O-ND2 3.16Å
452	F	48.5	Very low	40.4	Very low	53 Å²	53	96.5 Å²	96.5	23%	0.232	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	18.3	178.1	-56.4	-71.7	0	0	0	115	L448 E450 H539 N755 L759	L448-F452 HydrophobicContact CD2-CE2 4.38Å; L448-F452 WeakPolarHBondContact O-CD2 3.49Å; L448-F452 PolarHBondContact O-N 2.89Å; E450-F452 PolarHBondContact O-N 2.82Å; F452-H539 HydrophobicContact CD2-CB 4.26Å; F452-H539 HydrophobicContact CE2-CB 4.11Å; F452-H539 HydrophobicContact CZ-CB 4.41Å; F452-N755 HydrophobicContact CD1-CB 3.86Å; F452-N755 WeakPolarHBondContact CD1-ND2 3.27Å; F452-N755 HydrophobicContact CE1-CB 3.52Å; F452-L759 HydrophobicContact CE1-CD1 4.42Å; F452-L759 HydrophobicContact CE1-CD2 4.46Å; F452-L759 HydrophobicContact CE1-CG 4.18Å; F452-L759 HydrophobicContact CE2-CD2 4.43Å; F452-L759 HydrophobicContact CZ-CD1 4.35Å; F452-L759 HydrophobicContact CZ-CD2 3.62Å; F452-L759 HydrophobicContact CZ-CG 3.79Å
453	K	44.2	Very low	38.5	Very low	140 Å²	140	105.1 Å²	105.1	61%	0.609	53%	0.531	S	S	*	.	S	Bend	trans	-119.4	119.3	173.6	-81.6	172.4	-163.8	166.8	0	111.6	N449 E450	N449-K453 WeakPolarHBondContact O-CB 3.39Å; N449-K453 WeakPolarHBondContact O-CD 3.37Å; N449-K453 WeakPolarHBondContact O-CE 3.09Å; N449-K453 WeakPolarHBondContact O-CG 3.14Å; E450-K453 PolarHBondContact O-N 2.84Å
454	D	39.5	Very low	37	Very low	140 Å²	140	109.2 Å²	109.2	75%	0.749	56%	0.555	S	S	*	*			trans	10.2	112	167.4	-66.9	-34.8	0	0	0	117.6	N456	D454-N456 PolarHBondContact O-N 3.22Å
455	R	34.1	Very low	35.6	Very low	145 Å²	145	113.8 Å²	113.8	55%	0.547	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	11.1	-178.3	-64	-178.4	172.5	-154.6	-9.4	116.6	L752 D758	R455-L752 PolarHBondContact NH2-O 2.98Å; R455-D758 IonicContact NH2-OD2 3.93Å
456	N	32.7	Very low	34.4	Very low	151 Å²	151	120.4 Å²	120.4	81%	0.807	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-1.6	-173	-70	-43.5	0	0	0	115.2	D454	D454-N456 PolarHBondContact O-N 3.22Å
457	I	30.7	Very low	33.7	Very low	144 Å²	144	122.4 Å²	122.4	74%	0.738	61%	0.609	S	S	*	*	S	Bend	trans	-121.8	-22.8	-177.7	-60.1	-178.4	0	0	0	113.4	K459	I457-K459 PolarHBondContact O-N 3.43Å
458	A	29	Very low	32.7	Very low	71 Å²	71	125.7 Å²	125.7	59%	0.587	62%	0.623	S	S	*	*			trans	-75.4	37.1	-170.2	0	0	0	0	0	116.3
459	K	29	Very low	31.5	Very low	201 Å²	201	134.2 Å²	134.2	87%	0.874	66%	0.655	S	S	*	*	S	Bend	trans	-102.1	23	172.6	-77.5	-161.1	170.5	-166.8	0	113.6	I457	I457-K459 PolarHBondContact O-N 3.43Å
460	S	28.9	Very low	30.7	Very low	101 Å²	101	139 Å²	139	71%	0.706	68%	0.68	S	S	*	*	S	Bend	trans	-143.7	18.2	-176.6	66.1	0	0	0	0	114.6
461	T	27.4	Very low	29.7	Very low	69 Å²	69	138.3 Å²	138.3	42%	0.423	69%	0.685	S	S	.	*			trans	-129.1	15.3	-175.7	44.1	0	0	0	0	114.1	Q463 T464	T461-Q463 PolarHBondContact O-N 2.83Å; T461-Q463 VanDerWaalsContact O-N 3.08Å; T461-T464 PolarHBondContact O-N 2.86Å; T461-T464 PolarHBondContact O-OG1 3.48Å
462	E	27.7	Very low	28.6	Very low	178 Å²	178	143 Å²	143	83%	0.832	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-7.2	173.9	-65.4	178.8	149.2	0	0	113.6
463	Q	26.1	Very low	27.4	Very low	185 Å²	185	148.8 Å²	148.8	86%	0.864	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-1.7	-177.9	-67.5	-173.9	-23.3	0	0	115	T461	T461-Q463 PolarHBondContact O-N 2.83Å; T461-Q463 VanDerWaalsContact O-N 3.08Å
464	T	25.4	Very low	26.4	Very low	111 Å²	111	150.5 Å²	150.5	68%	0.681	74%	0.74	S	S	*	*	S	Bend	trans	-109.8	0.1	-176	47.9	0	0	0	0	115.4	T461 Q466	T461-T464 PolarHBondContact O-N 2.86Å; T461-T464 PolarHBondContact O-OG1 3.48Å; T464-Q466 PolarHBondContact O-N 3.43Å; T464-Q466 VanDerWaalsContact O-N 3.13Å
465	F	23	Very low	25.6	Very low	185 Å²	185	149.9 Å²	149.9	81%	0.811	74%	0.736	S	S	*	*			trans	-82.8	65.9	159	-78.7	-74.3	0	0	0	109.9	E467	F465-E467 PolarHBondContact O-N 3.34Å
466	Q	22.7	Very low	25.1	Very low	161 Å²	161	148.3 Å²	148.3	75%	0.752	75%	0.747	S	S	*	*			trans	-62.3	126.5	168.1	-93.5	-171.4	-33.3	0	0	109.4	T464 F468	T464-Q466 PolarHBondContact O-N 3.43Å; T464-Q466 VanDerWaalsContact O-N 3.13Å; Q466-F468 PolarHBondContact O-N 3.42Å
467	E	22.3	Very low	24.7	Very low	157 Å²	157	149.1 Å²	149.1	73%	0.734	75%	0.751	S	S	*	*			trans	-68.4	104	-176.7	-56.7	172.7	128.8	0	0	109.8	F465 Y469	F465-E467 PolarHBondContact O-N 3.34Å; E467-Y469 HydrophobicContact CB-CD2 3.95Å; E467-Y469 PolarHBondContact O-N 3.07Å
468	F	21.8	Very low	24.3	Very low	189 Å²	189	152 Å²	152	83%	0.829	76%	0.758	S	S	*	*			trans	-74.9	61.3	162.4	-80.5	-80.2	0	0	0	110.5	Q466 I470	Q466-F468 PolarHBondContact O-N 3.42Å; F468-I470 PolarHBondContact O-N 3.06Å
469	Y	22.3	Very low	24.2	Very low	186 Å²	186	155.4 Å²	155.4	73%	0.729	77%	0.766	S	S	*	*			trans	-56.4	114.1	144.5	-89.7	-80.6	0	0	0	106.8	E467 P471	E467-Y469 HydrophobicContact CB-CD2 3.95Å; E467-Y469 PolarHBondContact O-N 3.07Å; Y469-P471 WeakPolarHBondContact O-CD 3.48Å
470	I	22.7	Very low	24	Very low	144 Å²	144	153.3 Å²	153.3	74%	0.738	76%	0.764	S	S	*	*			trans	-96.5	105.3	157.7	-61.4	178.5	0	0	0	104.9	F468	F468-I470 PolarHBondContact O-N 3.06Å
471	P	20.5	Very low	23.6	Very low	99 Å²	99	155 Å²	155	64%	0.643	77%	0.774	S	S	*	*			trans	-63.8	142.9	178.5	-19.8	33.1	0	0	0	110.5	Y469 Q473	Y469-P471 WeakPolarHBondContact O-CD 3.48Å; P471-Q473 PolarHBondContact O-N 3.13Å
472	F	22.8	Very low	23.5	Very low	193 Å²	193	156.4 Å²	156.4	85%	0.846	79%	0.787	S	S	*	*			trans	-65.7	115.3	158.4	-86	-111.9	0	0	0	107.9	E474	F472-E474 PolarHBondContact O-N 3.06Å
473	Q	22.7	Very low	23.5	Very low	174 Å²	174	151.7 Å²	151.7	81%	0.813	78%	0.779	S	S	*	*			trans	-82.6	96.3	154.3	-78.6	-167.2	-90	0	0	108.3	P471 D475	P471-Q473 PolarHBondContact O-N 3.13Å; Q473-D475 VanDerWaalsContact C-N 3.29Å; Q473-D475 PolarHBondContact O-N 3.26Å; Q473-D475 VanDerWaalsContact O-N 3.13Å
474	E	22.5	Very low	23.4	Very low	177 Å²	177	150.2 Å²	150.2	83%	0.827	78%	0.777	S	S	*	*			trans	-72.9	83.5	160.5	-66.6	-169.7	129.1	0	0	109.3	F472	F472-E474 PolarHBondContact O-N 3.06Å
475	D	23.4	Very low	23.6	Very low	127 Å²	127	151.4 Å²	151.4	68%	0.679	78%	0.779	S	S	*	*			trans	-139.3	146.3	171.4	-97.7	-49	0	0	0	111.6	Q473	Q473-D475 VanDerWaalsContact C-N 3.29Å; Q473-D475 PolarHBondContact O-N 3.26Å; Q473-D475 VanDerWaalsContact O-N 3.13Å
476	S	23.8	Very low	23.7	Very low	111 Å²	111	152.9 Å²	152.9	78%	0.776	78%	0.78	S	S	*	*	S	Bend	trans	56.2	79.9	-177.3	61.9	0	0	0	0	116.5
477	L	24.6	Very low	24	Very low	169 Å²	169	151 Å²	151	89%	0.885	78%	0.782	S	S	*	*				178.2	57.3	120.4	-92.4	165.1	0	0	0	111.5
478	K	22.6	Very low	24.2	Very low	203 Å²	203	148.8 Å²	148.8	88%	0.883	78%	0.784	S	S	*	*			trans	-83.5	100	151	-72.6	173.5	-177.6	164.5	0	106.8
479	D	25.6	Very low	24.3	Very low	143 Å²	143	146.9 Å²	146.9	77%	0.765	78%	0.781	S	S	*	*			trans	-170.1	153.8	152.8	-99.5	-30.3	0	0	0	110.6
480	L	24.5	Very low	24.4	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	78%	0.78	S	S	*	*			trans	64.4	56.9	169	-63.1	158.9	0	0	0	117.1
481	C	21.5	Very low	24.5	Very low	137 Å²	137	142.6 Å²	142.6	93%	0.926	78%	0.781	S	S	*	*			trans	-99.1	85.6	152.3	-72.2	0	0	0	0	111.2
482	S	25.3	Very low	24.8	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	78%	0.78	S	S	*	*			trans	-173.6	150.3	169.6	55.3	0	0	0	0	109.2
483	A	26.5	Very low	25	Very low	80 Å²	80	139.3 Å²	139.3	66%	0.661	77%	0.774	S	S	*	*			cis	-171.8	128.8	-22.5	0	0	0	0	0	105.8
484	D	25.5	Very low	25.3	Very low	154 Å²	154	139.4 Å²	139.4	82%	0.824	77%	0.774	S	S	*	*			trans	58.9	161.2	154.9	-49.4	-36.7	0	0	0	122.6
485	D	28.7	Very low	25.5	Very low	135 Å²	135	135.1 Å²	135.1	72%	0.722	76%	0.764	S	S	*	*			trans	68.2	98.1	158.1	-64.7	-13.8	0	0	0	124.8
486	Y	26.1	Very low	25.8	Very low	216 Å²	216	135.5 Å²	135.5	85%	0.847	77%	0.766	S	S	*	*			trans	58.4	133.7	130.7	-68.4	-77.5	0	0	0	123.9
487	P	28.3	Very low	26.2	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	76%	0.76	S	S	*	*			trans	-106.3	147.5	177.2	39.1	-33.2	0	0	0	116.2
488	S	26.3	Very low	26.4	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	75%	0.749	S	S	*	*			trans	-152.7	117.2	159.6	55.3	0	0	0	0	108.8
489	I	24.8	Very low	27	Very low	150 Å²	150	131.4 Å²	131.4	77%	0.769	74%	0.74	S	S	*	*				101.3	125.9	64.4	-83.4	169.9	0	0	0	112.2
490	T	24.3	Very low	27.4	Very low	116 Å²	116	131.2 Å²	131.2	71%	0.712	74%	0.735	S	S	*	*			trans	73.5	113.9	161.2	48	0	0	0	0	123.6
491	T	25.3	Very low	27.6	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	73%	0.731	S	S	*	*				88.7	130.1	120.1	56.6	0	0	0	0	125.3
492	S	25.7	Very low	27.9	Very low	89 Å²	89	127.5 Å²	127.5	62%	0.622	72%	0.716	S	S	*	*				82.9	105.5	128.4	63	0	0	0	0	122.8
493	D	26.6	Very low	28.1	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	72%	0.72	S	S	*	*				92.7	141.6	115.4	-61.1	-12.8	0	0	0	123.5
494	H	29.5	Very low	28.1	Very low	177 Å²	177	133 Å²	133	82%	0.819	73%	0.725	S	S	*	*			trans	73.7	148.4	160.6	-55	-38.3	0	0	0	119.8
495	S	27.8	Very low	28.2	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	72%	0.717	S	S	*	*			cis	-170.9	173.2	-25.9	60.2	0	0	0	0	112.3
496	N	28.2	Very low	28.1	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	72%	0.724	S	S	*	*			trans	84	121.9	139.3	-78.5	12.6	0	0	0	124.9
497	N	31.8	Very low	28	Very low	123 Å²	123	127.2 Å²	127.2	66%	0.658	72%	0.719	S	S	*	*				114	93.8	128.6	-69.9	15.1	0	0	0	123.4
498	D	30.4	Very low	27.7	Very low	120 Å²	120	126.3 Å²	126.3	64%	0.642	72%	0.715	S	S	*	*				77.5	153.7	107.1	-62.5	-5.1	0	0	0	126.8
499	H	33.9	Very low	27.5	Very low	153 Å²	153	129.8 Å²	129.8	71%	0.708	72%	0.719	S	S	*	*			trans	85.4	138.7	163.5	-51.3	-60.7	0	0	0	118.7
500	H	33.7	Very low	27.4	Very low	140 Å²	140	130.8 Å²	130.8	65%	0.648	72%	0.721	S	S	*	*			cis	-164.6	146.5	-8.5	-117.2	-48.1	0	0	0	113.3
501	N	28.7	Very low	27.4	Very low	141 Å²	141	132.9 Å²	132.9	75%	0.754	73%	0.728	S	S	*	*			trans	66.8	153.5	145.9	-59.4	-12.7	0	0	0	121.7
502	A	28	Very low	27.3	Very low	74 Å²	74	130.3 Å²	130.3	61%	0.612	73%	0.725	S	S	*	*			cis	-170	160.5	-23.2	0	0	0	0	0	112.2
503	D	31.1	Very low	27.2	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	74%	0.736	S	S	*	*			trans	62.7	152.6	150.2	-63.8	-6	0	0	0	123.1
504	I	26	Very low	27.2	Very low	150 Å²	150	135.7 Å²	135.7	77%	0.769	74%	0.737	S	S	*	*			cis	-166.9	145.7	-38.2	-116.1	166.8	0	0	0	109.1
505	A	27.2	Very low	27.1	Very low	78 Å²	78	132.8 Å²	132.8	65%	0.645	73%	0.734	S	S	*	*			trans	138.4	118.3	141.9	0	0	0	0	0	118.1
506	K	25.6	Very low	26.9	Very low	201 Å²	201	134.2 Å²	134.2	87%	0.874	74%	0.744	S	S	*	*			trans	44.8	130.9	130.7	-59.9	170.3	-174.7	173.7	0	119.6
507	S	24.1	Very low	26.7	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	75%	0.746	S	S	*	*			cis	-166.8	163.2	8.1	50.7	0	0	0	0	114.4
508	S	22.9	Very low	26.2	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	76%	0.756	S	S	*	*			trans	67.2	123.7	152.6	49.4	0	0	0	0	121.6
509	E	22.7	Very low	25.9	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	75%	0.753	S	S	*	*			trans	81.2	75.6	147.7	-65.2	-179	-166.7	0	0	121.3
510	Q	22.9	Very low	25.5	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	76%	0.759	S	S	*	*			trans	69.1	95.2	134.1	-62.8	-169.9	2.5	0	0	120.7
511	N	23.2	Very low	25.1	Very low	160 Å²	160	134.1 Å²	134.1	86%	0.856	75%	0.752	S	S	*	*				76	98.2	128.9	-58.3	-3.6	0	0	0	119.9
512	G	23.8	Very low	25	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	74%	0.743	S	S	*	*			trans	127.8	85.7	131.1	0	0	0	0	0	117.5
513	F	23.3	Very low	25.1	Very low	193 Å²	193	137.7 Å²	137.7	85%	0.846	75%	0.747	S	S	*	*			trans	-146	118.8	164	-92.7	-83.5	0	0	0	112.6
514	I	26.5	Very low	25	Very low	143 Å²	143	140.1 Å²	140.1	73%	0.733	75%	0.751	S	S	*	*				29.2	124.3	119.2	-52.2	178.3	0	0	0	115.1
515	P	27	Very low	25	Very low	117 Å²	117	140 Å²	140	76%	0.76	75%	0.749	S	S	*	*				-153.1	155.8	63.7	39.9	-20.3	0	0	0	119.7
516	S	24.1	Very low	24.9	Very low	117 Å²	117	142.4 Å²	142.4	82%	0.818	75%	0.751	S	S	*	*				-176.9	159.8	115.6	46.8	0	0	0	0	112.4
517	L	22.9	Very low	24.9	Very low	145 Å²	145	141.7 Å²	141.7	76%	0.759	75%	0.751	S	S	*	*			trans	-37.9	145.7	-177.9	-84.7	56.1	0	0	0	116.4
518	F	23.1	Very low	25.1	Very low	200 Å²	200	144.3 Å²	144.3	88%	0.877	75%	0.751	S	S	*	*				-157.4	146.8	98.7	-99	-68.5	0	0	0	111.5
519	T	22.4	Very low	25.3	Very low	93 Å²	93	149.3 Å²	149.3	57%	0.571	76%	0.756	S	S	*	*			trans	-80.7	137.7	-173.5	40.5	0	0	0	0	112.6	D521	T519-D521 VanDerWaalsContact CB-CG 3.49Å; T519-D521 WeakPolarHBondContact CB-OD2 3.46Å; T519-D521 PolarHBondContact O-N 3.48Å; T519-D521 PolarHBondContact OG1-OD2 3.42Å
520	T	25.6	Very low	25.9	Very low	135 Å²	135	144.1 Å²	144.1	83%	0.828	73%	0.732	S	S	*	*			trans	-85.5	66	161.7	46.8	0	0	0	0	109.6	I522	T520-I522 PolarHBondContact O-N 3.42Å
521	D	26.1	Very low	26.6	Very low	96 Å²	96	140.9 Å²	140.9	51%	0.513	72%	0.72	S	S	.	*			trans	-71.3	91.9	177.4	-66.5	-44.3	0	0	0	110.5	T519 Y523	T519-D521 VanDerWaalsContact CB-CG 3.49Å; T519-D521 WeakPolarHBondContact CB-OD2 3.46Å; T519-D521 PolarHBondContact O-N 3.48Å; T519-D521 PolarHBondContact OG1-OD2 3.42Å; D521-Y523 HydrophobicContact CB-CD2 3.63Å; D521-Y523 HydrophobicContact CB-CE2 3.51Å; D521-Y523 PolarHBondContact O-N 3.17Å
522	I	27.5	Very low	28	Very low	108 Å²	108	134 Å²	134	55%	0.554	68%	0.682	S	S	*	*			trans	-73.1	79.5	172.1	-54.4	179.8	0	0	0	108.5	T520 K524	T520-I522 PolarHBondContact O-N 3.42Å; I522-K524 PolarHBondContact O-N 3.43Å
523	Y	30	Very low	29.5	Very low	182 Å²	182	132.5 Å²	132.5	71%	0.714	66%	0.657	S	S	*	*			trans	-65.5	124	-178.9	-93.6	-84.5	0	0	0	112.2	D521 M525	D521-Y523 HydrophobicContact CB-CD2 3.63Å; D521-Y523 HydrophobicContact CB-CE2 3.51Å; D521-Y523 PolarHBondContact O-N 3.17Å; Y523-M525 PolarHBondContact O-N 3.25Å
524	K	27.2	Very low	31.2	Very low	193 Å²	193	123.6 Å²	123.6	84%	0.839	62%	0.618	S	S	*	*			trans	-69.2	110	162.9	-76	179.6	173.9	177.9	0	110	I522	I522-K524 PolarHBondContact O-N 3.43Å
525	M	26.4	Very low	32.7	Very low	148 Å²	148	117.1 Å²	117.1	73%	0.729	59%	0.586	S	S	*	*			trans	-146.1	131.3	156.3	-64.8	-62.3	165	0	0	107	Y523	Y523-M525 PolarHBondContact O-N 3.25Å
526	N	25.9	Very low	34.4	Very low	128 Å²	128	114.2 Å²	114.2	68%	0.684	56%	0.561	S	S	*	*			cis	-136	168.9	0.2	-96.1	-35.5	0	0	0	111.3	H528	N526-H528 PolarHBondContact O-N 2.69Å
527	Q	26.1	Very low	36.3	Very low	186 Å²	186	109.2 Å²	109.2	87%	0.869	53%	0.525	S	S	*	.			trans	-76.2	55.5	-177	-66.1	179.2	-25.3	0	0	114
528	H	27.2	Very low	38.3	Very low	161 Å²	161	107.2 Å²	107.2	75%	0.745	52%	0.515	S	S	*	.			trans	-107.6	97.2	166.2	-70.1	-66.3	0	0	0	110	N526 E530	N526-H528 PolarHBondContact O-N 2.69Å; H528-E530 VanDerWaalsContact C-N 3.26Å; H528-E530 PolarHBondContact O-N 2.74Å
529	Y	28.3	Very low	40.5	Very low	207 Å²	207	99.8 Å²	99.8	81%	0.812	48%	0.483	S	S	*	.			trans	-66.7	92	158.6	-73.9	-83.2	0	0	0	108	N531	Y529-N531 PolarHBondContact O-N 3.32Å
530	E	33.7	Very low	42.6	Very low	75 Å²	75	95.4 Å²	95.4	35%	0.35	46%	0.456	S	S	.	.			trans	-62.3	93.4	159.5	-65.6	171.1	-127.9	0	0	107.2	K438 H528 W532	K438-E530 IonicContact NZ-OE1 3.23Å; K438-E530 PolarHBondContact NZ-OE1 2.86Å; H528-E530 VanDerWaalsContact C-N 3.26Å; H528-E530 PolarHBondContact O-N 2.74Å; E530-W532 PolarHBondContact O-N 2.81Å; E530-W532 PolarHBondContact OE2-NE1 2.75Å
531	N	38.8	Very low	44.6	Very low	103 Å²	103	90.8 Å²	90.8	55%	0.551	42%	0.424	S	S	*	.			trans	-78.7	73.2	176.5	-77.6	-22	0	0	0	109.3	Y529 L533	Y529-N531 PolarHBondContact O-N 3.32Å; N531-L533 VanDerWaalsContact O-CD2 3.22Å; N531-L533 WeakPolarHBondContact O-CD2 3.09Å; N531-L533 WeakPolarHBondContact O-CG 3.36Å
532	W	52.1	Low	46.6	Very low	17 Å²	17	90.5 Å²	90.5	6%	0.064	42%	0.42	C	S	.	.			trans	-56.3	136.7	166.2	-75.8	74.7	0	0	0	109.9	I440 L442 S443 E530 Q766 Q769 L770 L773	I440-W532 HydrophobicContact CG2-CD2 4.39Å; I440-W532 HydrophobicContact CG2-CG 4.1Å; L442-W532 HydrophobicContact CB-CB 4.43Å; L442-W532 HydrophobicContact CD2-CB 3.37Å; L442-W532 HydrophobicContact CD2-CD2 3.99Å; L442-W532 HydrophobicContact CD2-CE3 3.94Å; L442-W532 HydrophobicContact CD2-CG 3.77Å; L442-W532 HydrophobicContact CG-CB 4.45Å; S443-W532 PolarHBondContact N-O 3.48Å; S443-W532 PolarHBondContact OG-O 3.28Å; E530-W532 PolarHBondContact O-N 2.81Å; E530-W532 PolarHBondContact OE2-NE1 2.75Å; W532-Q766 HydrophobicContact CZ3-CB 4.4Å; W532-Q766 WeakPolarHBondContact CZ3-O 2.98Å; W532-Q769 HydrophobicContact CH2-CB 3.51Å; W532-Q769 HydrophobicContact CZ2-CB 4.16Å; W532-Q769 HydrophobicContact CZ3-CB 4.12Å; W532-L770 HydrophobicContact CH2-CB 3.65Å; W532-L770 HydrophobicContact CH2-CD1 4.46Å; W532-L770 HydrophobicContact CH2-CG 3.94Å; W532-L770 HydrophobicContact CZ3-CB 3.75Å; W532-L770 HydrophobicContact CZ3-CD1 4Å; W532-L770 HydrophobicContact CZ3-CG 3.98Å; W532-L773 HydrophobicContact CH2-CD1 4.43Å; W532-L773 HydrophobicContact CZ2-CD1 3.59Å; W532-L773 HydrophobicContact CZ2-CG 4.4Å
533	L	55.6	Low	48.5	Very low	36 Å²	36	85.5 Å²	85.5	19%	0.188	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-111.3	148.7	-168.5	-56	-176	0	0	0	111.1	S445 L448 N531 F762 Q766	S445-L533 VanDerWaalsContact CB-CD2 3.43Å; S445-L533 WeakPolarHBondContact OG-CD1 3.3Å; S445-L533 WeakPolarHBondContact OG-CD2 3.45Å; L448-L533 HydrophobicContact CD1-CB 4.22Å; N531-L533 VanDerWaalsContact O-CD2 3.22Å; N531-L533 WeakPolarHBondContact O-CD2 3.09Å; N531-L533 WeakPolarHBondContact O-CG 3.36Å; L533-F762 HydrophobicContact CB-CE2 3.81Å; L533-F762 HydrophobicContact CB-CZ 3.52Å; L533-F762 HydrophobicContact CD1-CE2 4.4Å; L533-F762 WeakPolarHBondContact O-CE1 3.43Å; L533-F762 WeakPolarHBondContact O-CZ 3.4Å; L533-Q766 VanDerWaalsContact N-OE1 3.15Å; L533-Q766 PolarHBondContact O-OE1 2.64Å
534	I	58.1	Low	50.2	Low	5 Å²	5	78 Å²	78	3%	0.026	37%	0.365	C	S	.	.			trans	-133.5	126.7	-178	-65.8	158.7	0	0	0	111.5	L442 L448 K536 P795 W801	L442-I534 HydrophobicContact CB-CD1 3.29Å; L442-I534 HydrophobicContact CB-CG1 4Å; L442-I534 HydrophobicContact CD1-CD1 4.19Å; L442-I534 HydrophobicContact CG-CD1 4.36Å; L448-I534 WeakPolarHBondContact CD1-O 3.49Å; I534-K536 PolarHBondContact O-N 2.79Å; I534-P795 HydrophobicContact CD1-CG 4.06Å; I534-W801 HydrophobicContact CD1-CD2 4.29Å; I534-W801 HydrophobicContact CD1-CE3 4.05Å; I534-W801 HydrophobicContact CD1-CH2 3.26Å; I534-W801 HydrophobicContact CD1-CZ2 3.5Å; I534-W801 HydrophobicContact CD1-CZ3 3.54Å; I534-W801 HydrophobicContact CG1-CD2 4.41Å; I534-W801 HydrophobicContact CG1-CE3 4Å; I534-W801 HydrophobicContact CG1-CH2 4.07Å; I534-W801 HydrophobicContact CG1-CZ2 4.44Å; I534-W801 HydrophobicContact CG1-CZ3 3.81Å; I534-W801 HydrophobicContact CG2-CB 4.38Å; I534-W801 HydrophobicContact CG2-CD2 3.48Å; I534-W801 VanDerWaalsContact CG2-CD2 3.48Å; I534-W801 HydrophobicContact CG2-CE3 3.8Å; I534-W801 HydrophobicContact CG2-CG 3.71Å; I534-W801 HydrophobicContact CG2-CZ2 4.44Å; I534-W801 HydrophobicContact CG2-CZ3 4.39Å
535	P	59.5	Low	52	Low	7 Å²	7	71.5 Å²	71.5	5%	0.045	34%	0.339	C	S	.	.			trans	-70.3	119.8	167.9	30.4	-32.8	0	0	0	109.7	I540 L759 F762 I763	P535-I540 HydrophobicContact CB-CD1 4.26Å; P535-I540 HydrophobicContact CB-CG1 4.07Å; P535-I540 HydrophobicContact CG-CD1 4.11Å; P535-I540 HydrophobicContact CG-CG1 4.38Å; P535-L759 HydrophobicContact CB-CD2 3.31Å; P535-L759 HydrophobicContact CG-CD2 4.1Å; P535-F762 HydrophobicContact CG-CD1 4.26Å; P535-F762 HydrophobicContact CG-CE1 4.45Å; P535-I763 HydrophobicContact CG-CD1 3.99Å; P535-I763 HydrophobicContact CG-CG1 3.97Å
536	K	62.7	Low	53.8	Low	56 Å²	56	68.6 Å²	68.6	24%	0.243	32%	0.324	C	S	.	.			trans	-57	142.9	174.8	-66.1	173.4	-175.1	157.7	0	109.9	F444 I534 N538 H539 I540	F444-K536 HydrophobicContact CD1-CG 4.06Å; F444-K536 HydrophobicContact CE1-CD 3.93Å; F444-K536 HydrophobicContact CE1-CG 3.24Å; F444-K536 HydrophobicContact CZ-CD 3.96Å; F444-K536 HydrophobicContact CZ-CG 3.57Å; I534-K536 PolarHBondContact O-N 2.79Å; K536-N538 PolarHBondContact O-N 2.87Å; K536-N538 VanDerWaalsContact O-N 3.13Å; K536-H539 PolarHBondContact O-N 3.42Å; K536-I540 PolarHBondContact O-N 2.74Å
537	H	63.9	Low	55.6	Low	13 Å²	13	62.6 Å²	62.6	6%	0.06	29%	0.291	C	S	.	.	H	α-helix	trans	-43.3	-46.7	166.6	151.8	-133.8	0	0	0	111.3	H539 I540 K541 N800 D855	H537-H539 VanDerWaalsContact C-N 3.33Å; H537-H539 PolarHBondContact O-N 3.38Å; H537-I540 WeakPolarHBondContact O-CB 3.28Å; H537-I540 PolarHBondContact O-N 2.88Å; H537-K541 WeakPolarHBondContact O-CB 3.37Å; H537-K541 PolarHBondContact O-N 3.22Å; H537-N800 HydrophobicContact CB-CB 4.45Å; H537-D855 WeakPolarHBondContact CD2-CB 3.37Å; H537-D855 VanDerWaalsContact NE2-CA 3.3Å; H537-D855 WeakPolarHBondContact NE2-CA 3.29Å; H537-D855 VanDerWaalsContact NE2-CB 3.29Å; H537-D855 WeakPolarHBondContact NE2-CB 3.3Å
538	N	64.9	Low	57.1	Low	103 Å²	103	55.5 Å²	55.5	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-61	-34.6	178.9	-69.1	-17.2	0	0	0	113.9	K536 Q542	K536-N538 PolarHBondContact O-N 2.87Å; K536-N538 VanDerWaalsContact O-N 3.13Å; N538-Q542 VanDerWaalsContact O-CG 3.26Å; N538-Q542 WeakPolarHBondContact O-CG 3.13Å; N538-Q542 PolarHBondContact O-N 3.15Å
539	H	68.1	Low	58.4	Low	44 Å²	44	52.3 Å²	52.3	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-75.6	-41.8	177.1	-65.1	-54	0	0	0	111.5	F452 K536 H537 K541 Q542 S543	F452-H539 HydrophobicContact CD2-CB 4.26Å; F452-H539 HydrophobicContact CE2-CB 4.11Å; F452-H539 HydrophobicContact CZ-CB 4.41Å; K536-H539 PolarHBondContact O-N 3.42Å; H537-H539 VanDerWaalsContact C-N 3.33Å; H537-H539 PolarHBondContact O-N 3.38Å; H539-K541 VanDerWaalsContact C-N 3.28Å; H539-K541 PolarHBondContact O-N 2.84Å; H539-Q542 PolarHBondContact O-N 3.28Å; H539-S543 PolarHBondContact O-N 3.14Å; H539-S543 PolarHBondContact O-OG 3.46Å
540	I	68	Low	59.6	Low	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-48.2	170.9	-66.1	168.3	0	0	0	110.2	P535 K536 H537 S543 W544 W756 L759 I804 V858 L862	P535-I540 HydrophobicContact CB-CD1 4.26Å; P535-I540 HydrophobicContact CB-CG1 4.07Å; P535-I540 HydrophobicContact CG-CD1 4.11Å; P535-I540 HydrophobicContact CG-CG1 4.38Å; K536-I540 PolarHBondContact O-N 2.74Å; H537-I540 WeakPolarHBondContact O-CB 3.28Å; H537-I540 PolarHBondContact O-N 2.88Å; I540-S543 PolarHBondContact O-N 2.81Å; I540-W544 WeakPolarHBondContact O-CB 3.45Å; I540-W544 PolarHBondContact O-N 2.87Å; I540-W756 HydrophobicContact CG2-CZ3 4.36Å; I540-L759 HydrophobicContact CG1-CD1 4.37Å; I540-L759 HydrophobicContact CG1-CD2 4.31Å; I540-I804 HydrophobicContact CD1-CD1 4.35Å; I540-V858 HydrophobicContact CG2-CB 4.41Å; I540-V858 HydrophobicContact CG2-CG1 3.59Å; I540-L862 HydrophobicContact CD1-CD2 4.19Å; I540-L862 HydrophobicContact CG1-CD2 4.03Å; I540-L862 HydrophobicContact CG2-CD2 3.9Å
541	K	67.2	Low	60.4	Low	38 Å²	38	40.1 Å²	40.1	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-65.5	-38.1	179.2	-166.4	164.2	-167.9	170.7	0	112.9	H537 H539 L545 Y854 D855 D856	H537-K541 WeakPolarHBondContact O-CB 3.37Å; H537-K541 PolarHBondContact O-N 3.22Å; H539-K541 VanDerWaalsContact C-N 3.28Å; H539-K541 PolarHBondContact O-N 2.84Å; K541-L545 HydrophobicContact CG-CD1 4.34Å; K541-L545 WeakPolarHBondContact O-CB 3.33Å; K541-L545 WeakPolarHBondContact O-CD1 3.36Å; K541-L545 WeakPolarHBondContact O-CG 3.38Å; K541-L545 PolarHBondContact O-N 3.46Å; K541-Y854 PolarHBondContact NZ-O 2.82Å; K541-D855 WeakPolarHBondContact CE-O 3.24Å; K541-D856 WeakPolarHBondContact CE-OD2 3.4Å; K541-D856 IonicContact NZ-OD2 2.76Å; K541-D856 PolarHBondContact NZ-OD2 3.24Å
542	Q	68.6	Low	60.6	Low	91 Å²	91	39.2 Å²	39.2	43%	0.425	19%	0.19	S	C	.	.	H	α-helix	trans	-67.9	-45.3	174.9	-73.1	-63.2	-35.4	0	0	112.5	N538 H539 W544 L545 Q546	N538-Q542 VanDerWaalsContact O-CG 3.26Å; N538-Q542 WeakPolarHBondContact O-CG 3.13Å; N538-Q542 PolarHBondContact O-N 3.15Å; H539-Q542 PolarHBondContact O-N 3.28Å; Q542-W544 VanDerWaalsContact C-N 3.33Å; Q542-W544 PolarHBondContact O-N 3.48Å; Q542-L545 PolarHBondContact O-N 3.11Å; Q542-L545 VanDerWaalsContact O-N 3.12Å; Q542-Q546 WeakPolarHBondContact O-CG 3.37Å; Q542-Q546 PolarHBondContact O-N 3.21Å
543	S	65.6	Low	59.8	Low	2 Å²	2	40.2 Å²	40.2	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-43.5	175.6	-69.8	0	0	0	0	111.7	H539 I540 L545 Q546 L547 T754 L759	H539-S543 PolarHBondContact O-N 3.14Å; H539-S543 PolarHBondContact O-OG 3.46Å; I540-S543 PolarHBondContact O-N 2.81Å; S543-L545 PolarHBondContact O-N 2.89Å; S543-Q546 PolarHBondContact O-N 2.92Å; S543-L547 WeakPolarHBondContact O-CB 3.34Å; S543-L547 PolarHBondContact O-N 2.67Å; S543-T754 WeakPolarHBondContact CB-O 3.41Å; S543-T754 PolarHBondContact OG-O 3.04Å; S543-L759 WeakPolarHBondContact OG-CD1 3.4Å
544	W	67.2	Low	58.7	Low	24 Å²	24	43.8 Å²	43.8	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-35.2	173.3	-176.2	-101.6	0	0	0	113.6	I540 Q542 L547 K548 W756 V858 A861 W1012 T1016	I540-W544 WeakPolarHBondContact O-CB 3.45Å; I540-W544 PolarHBondContact O-N 2.87Å; Q542-W544 VanDerWaalsContact C-N 3.33Å; Q542-W544 PolarHBondContact O-N 3.48Å; W544-L547 HydrophobicContact CD2-CD2 4.49Å; W544-L547 HydrophobicContact CE3-CD2 3.87Å; W544-L547 HydrophobicContact CZ3-CD2 4.04Å; W544-L547 PolarHBondContact O-N 3.2Å; W544-K548 WeakPolarHBondContact O-CB 3.46Å; W544-K548 PolarHBondContact O-N 2.81Å; W544-W756 HydrophobicContact CB-CE3 4.4Å; W544-W756 HydrophobicContact CB-CH2 4.42Å; W544-W756 HydrophobicContact CB-CZ3 3.81Å; W544-W756 HydrophobicContact CD2-CH2 4.21Å; W544-W756 HydrophobicContact CD2-CZ3 4.42Å; W544-W756 HydrophobicContact CE3-CE3 4.33Å; W544-W756 AromaticContact CE3-CH2 3.34Å; W544-W756 HydrophobicContact CE3-CH2 3.34Å; W544-W756 AromaticContact CE3-CZ2 3.6Å; W544-W756 HydrophobicContact CE3-CZ2 3.6Å; W544-W756 AromaticContact CE3-CZ3 3.77Å; W544-W756 HydrophobicContact CE3-CZ3 3.77Å; W544-W756 AromaticContact CZ3-CH2 3.9Å; W544-W756 HydrophobicContact CZ3-CH2 3.9Å; W544-W756 AromaticContact CZ3-CZ2 3.74Å; W544-W756 HydrophobicContact CZ3-CZ2 3.74Å; W544-V858 HydrophobicContact CB-CB 4.41Å; W544-V858 HydrophobicContact CB-CG1 3.34Å; W544-V858 HydrophobicContact CB-CG2 4.1Å; W544-V858 HydrophobicContact CD2-CG1 3.96Å; W544-V858 HydrophobicContact CD2-CG2 4.26Å; W544-V858 HydrophobicContact CE3-CG1 4.44Å; W544-V858 HydrophobicContact CG-CB 4.27Å; W544-V858 HydrophobicContact CG-CG1 3.51Å; W544-V858 HydrophobicContact CG-CG2 3.65Å; W544-A861 HydrophobicContact CH2-CB 3.69Å; W544-A861 HydrophobicContact CZ2-CB 4.1Å; W544-A861 HydrophobicContact CZ3-CB 3.96Å; W544-W1012 HydrophobicContact CH2-CE3 4.07Å; W544-W1012 HydrophobicContact CH2-CZ3 4.25Å; W544-W1012 HydrophobicContact CZ3-CE3 4.39Å; W544-W1012 HydrophobicContact CZ3-CZ3 4.39Å; W544-T1016 HydrophobicContact CH2-CG2 4.09Å; W544-T1016 HydrophobicContact CZ2-CG2 3.75Å
545	L	64.8	Low	57.4	Low	58 Å²	58	48.6 Å²	48.6	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-40.7	175	-76.4	167	0	0	0	111.7	K541 Q542 S543 K548 N549	K541-L545 HydrophobicContact CG-CD1 4.34Å; K541-L545 WeakPolarHBondContact O-CB 3.33Å; K541-L545 WeakPolarHBondContact O-CD1 3.36Å; K541-L545 WeakPolarHBondContact O-CG 3.38Å; K541-L545 PolarHBondContact O-N 3.46Å; Q542-L545 PolarHBondContact O-N 3.11Å; Q542-L545 VanDerWaalsContact O-N 3.12Å; S543-L545 PolarHBondContact O-N 2.89Å; L545-K548 PolarHBondContact O-N 3.19Å; L545-N549 PolarHBondContact O-N 2.92Å; L545-N549 PolarHBondContact O-ND2 2.85Å; L545-N549 PolarHBondContact O-OD1 3.35Å
546	Q	63.9	Low	55.7	Low	87 Å²	87	55.3 Å²	55.3	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-45.6	172.8	-69.3	170.9	-16.8	0	0	111.2	Q542 S543 N549 L550 T754	Q542-Q546 WeakPolarHBondContact O-CG 3.37Å; Q542-Q546 PolarHBondContact O-N 3.21Å; S543-Q546 PolarHBondContact O-N 2.92Å; Q546-N549 WeakPolarHBondContact O-CB 3.4Å; Q546-N549 PolarHBondContact O-N 2.95Å; Q546-N549 VanDerWaalsContact O-N 3.17Å; Q546-L550 PolarHBondContact O-N 2.88Å; Q546-T754 HydrophobicContact CB-CG2 4.2Å; Q546-T754 PolarHBondContact OE1-O 3.31Å
547	L	63.7	Low	53.8	Low	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-39.8	178.2	-176	149.7	0	0	0	112.7	S543 W544 N549 L550 I551 T754 W756 W1005	S543-L547 WeakPolarHBondContact O-CB 3.34Å; S543-L547 PolarHBondContact O-N 2.67Å; W544-L547 HydrophobicContact CD2-CD2 4.49Å; W544-L547 HydrophobicContact CE3-CD2 3.87Å; W544-L547 HydrophobicContact CZ3-CD2 4.04Å; W544-L547 PolarHBondContact O-N 3.2Å; L547-N549 VanDerWaalsContact C-N 3.3Å; L547-N549 PolarHBondContact O-N 3.27Å; L547-L550 WeakPolarHBondContact O-CB 3.34Å; L547-L550 PolarHBondContact O-N 3.45Å; L547-L550 VanDerWaalsContact O-N 3.13Å; L547-I551 HydrophobicContact CD2-CD1 3.64Å; L547-I551 WeakPolarHBondContact O-CG1 3.1Å; L547-I551 PolarHBondContact O-N 3.45Å; L547-I551 VanDerWaalsContact O-N 3.14Å; L547-T754 HydrophobicContact CB-CG2 4.13Å; L547-W756 HydrophobicContact CD1-CB 3.4Å; L547-W756 HydrophobicContact CD1-CD2 3.71Å; L547-W756 HydrophobicContact CD1-CE3 4.38Å; L547-W756 HydrophobicContact CD1-CG 3.25Å; L547-W1005 HydrophobicContact CD1-CH2 3.61Å; L547-W1005 HydrophobicContact CD1-CZ2 3.5Å; L547-W1005 VanDerWaalsContact CD1-CZ2 3.5Å; L547-W1005 HydrophobicContact CD2-CH2 3.78Å; L547-W1005 HydrophobicContact CD2-CZ2 3.85Å; L547-W1005 HydrophobicContact CG-CH2 3.62Å; L547-W1005 HydrophobicContact CG-CZ2 3.91Å
548	K	56.9	Low	52	Low	38 Å²	38	67.7 Å²	67.7	17%	0.165	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-36.3	171.1	-179.2	175.5	179.1	171.5	0	111.9	W544 L545 L550 I551 Q552 N1020	W544-K548 WeakPolarHBondContact O-CB 3.46Å; W544-K548 PolarHBondContact O-N 2.81Å; L545-K548 PolarHBondContact O-N 3.19Å; K548-L550 VanDerWaalsContact C-N 3.31Å; K548-L550 PolarHBondContact O-N 2.73Å; K548-I551 PolarHBondContact O-N 2.7Å; K548-I551 VanDerWaalsContact O-N 3.12Å; K548-Q552 VanDerWaalsContact CE-NE2 3.34Å; K548-Q552 HydrophobicContact CG-CG 4.18Å; K548-Q552 WeakPolarHBondContact O-CB 3.21Å; K548-Q552 WeakPolarHBondContact O-CG 3.42Å; K548-Q552 PolarHBondContact O-N 2.96Å; K548-N1020 WeakPolarHBondContact CE-OD1 3.39Å; K548-N1020 PolarHBondContact NZ-OD1 3.26Å
549	N	55.9	Low	50	Low	94 Å²	94	67.4 Å²	67.4	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-68.6	-27.8	174.7	-64	-22.9	0	0	0	112.6	L545 Q546 L547	L545-N549 PolarHBondContact O-N 2.92Å; L545-N549 PolarHBondContact O-ND2 2.85Å; L545-N549 PolarHBondContact O-OD1 3.35Å; Q546-N549 WeakPolarHBondContact O-CB 3.4Å; Q546-N549 PolarHBondContact O-N 2.95Å; Q546-N549 VanDerWaalsContact O-N 3.17Å; L547-N549 VanDerWaalsContact C-N 3.3Å; L547-N549 PolarHBondContact O-N 3.27Å
550	L	53.6	Low	47.8	Very low	17 Å²	17	72.8 Å²	72.8	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-70.8	-32.1	168.5	-59.3	178.3	0	0	0	112	Q546 L547 K548 Y740 T754	Q546-L550 PolarHBondContact O-N 2.88Å; L547-L550 WeakPolarHBondContact O-CB 3.34Å; L547-L550 PolarHBondContact O-N 3.45Å; L547-L550 VanDerWaalsContact O-N 3.13Å; K548-L550 VanDerWaalsContact C-N 3.31Å; K548-L550 PolarHBondContact O-N 2.73Å; L550-Y740 HydrophobicContact CD2-CD1 3.38Å; L550-Y740 HydrophobicContact CD2-CE1 4.09Å; L550-Y740 HydrophobicContact CD2-CG 3.76Å; L550-T754 HydrophobicContact CD1-CG2 3.56Å; L550-T754 HydrophobicContact CG-CG2 4.42Å
551	I	48.9	Very low	45.8	Very low	8 Å²	8	78 Å²	78	4%	0.041	40%	0.403	C	S	.	.	H	α-helix	trans	-80	-34.2	-178	-67.6	167.1	0	0	0	112.9	L547 K548 L553 N1013 T1016	L547-I551 HydrophobicContact CD2-CD1 3.64Å; L547-I551 WeakPolarHBondContact O-CG1 3.1Å; L547-I551 PolarHBondContact O-N 3.45Å; L547-I551 VanDerWaalsContact O-N 3.14Å; K548-I551 PolarHBondContact O-N 2.7Å; K548-I551 VanDerWaalsContact O-N 3.12Å; I551-L553 PolarHBondContact O-N 3.45Å; I551-N1013 HydrophobicContact CG2-CB 4.43Å; I551-N1013 WeakPolarHBondContact CG2-OD1 3.46Å; I551-T1016 HydrophobicContact CD1-CG2 4.24Å; I551-T1016 WeakPolarHBondContact CG2-OG1 3.48Å
552	Q	44.4	Very low	43.9	Very low	84 Å²	84	82.6 Å²	82.6	39%	0.393	43%	0.425	S	S	.	.			trans	-75.6	28.4	-170.3	-80.8	-167.9	-30.2	0	0	116	K548 P554 N1020	K548-Q552 VanDerWaalsContact CE-NE2 3.34Å; K548-Q552 HydrophobicContact CG-CG 4.18Å; K548-Q552 WeakPolarHBondContact O-CB 3.21Å; K548-Q552 WeakPolarHBondContact O-CG 3.42Å; K548-Q552 PolarHBondContact O-N 2.96Å; Q552-P554 WeakPolarHBondContact O-CD 3.16Å; Q552-N1020 VanDerWaalsContact NE2-CG 3.34Å; Q552-N1020 PolarHBondContact NE2-ND2 3.3Å; Q552-N1020 PolarHBondContact NE2-OD1 3.17Å
553	L	33.8	Very low	41.7	Very low	39 Å²	39	84 Å²	84	20%	0.204	43%	0.434	C	S	.	.			trans	-113.2	101.6	-170.6	-60.4	172.8	0	0	0	111.6	I551 A737 Y740	I551-L553 PolarHBondContact O-N 3.45Å; L553-A737 HydrophobicContact CB-CB 4.26Å; L553-A737 HydrophobicContact CD2-CB 4.05Å; L553-Y740 HydrophobicContact CD1-CD2 4.18Å; L553-Y740 HydrophobicContact CD1-CG 4.41Å
554	P	33.9	Very low	39.7	Very low	110 Å²	110	91.5 Å²	91.5	71%	0.714	47%	0.467	S	S	*	.			trans	-80.3	122.8	177.5	31.5	-32.9	0	0	0	111.6	Q552	Q552-P554 WeakPolarHBondContact O-CD 3.16Å
555	Q	29.1	Very low	37.8	Very low	106 Å²	106	96.1 Å²	96.1	50%	0.495	49%	0.493	S	S	.	.			trans	-103.4	136	150.8	-54	-179.6	-1.4	0	0	103.6	A737	Q555-A737 PolarHBondContact NE2-O 3.36Å; Q555-A737 VanDerWaalsContact NE2-O 3.08Å
556	I	25.3	Very low	35.9	Very low	149 Å²	149	100.8 Å²	100.8	76%	0.764	51%	0.513	S	S	*	.			cis	-142.4	165.9	39.4	-77.2	161.8	0	0	0	110.5	T558	I556-T558 HydrophobicContact CG2-CG2 4.02Å
557	Y	23.1	Very low	34.1	Very low	212 Å²	212	105.9 Å²	105.9	83%	0.831	54%	0.535	S	S	*	.			trans	-106.4	119.1	164.7	-176.5	-79.6	0	0	0	109.3
558	T	25.3	Very low	32.2	Very low	116 Å²	116	112 Å²	112	71%	0.712	57%	0.572	S	S	*	*			trans	-122.1	132.4	170.8	35.8	0	0	0	0	110.1	I556	I556-T558 HydrophobicContact CG2-CG2 4.02Å
559	P	23.7	Very low	30.8	Very low	97 Å²	97	117.5 Å²	117.5	63%	0.63	60%	0.604	S	S	*	*			trans	-82	149.3	178.2	33.2	-34.3	0	0	0	112	V561	P559-V561 PolarHBondContact O-N 2.92Å; P559-V561 VanDerWaalsContact O-N 3.11Å
560	N	22	Very low	29.3	Very low	158 Å²	158	119 Å²	119	85%	0.845	62%	0.616	S	S	*	*			trans	-65.2	109.3	179.9	-69.4	9.1	0	0	0	112.3
561	V	25.9	Very low	28	Very low	110 Å²	110	123.8 Å²	123.8	67%	0.667	65%	0.646	S	S	*	*			trans	-137.3	76.9	163.6	-176.7	0	0	0	0	108.8	P559 I563	P559-V561 PolarHBondContact O-N 2.92Å; P559-V561 VanDerWaalsContact O-N 3.11Å; V561-I563 HydrophobicContact CG1-CD1 3.78Å; V561-I563 HydrophobicContact CG1-CG1 3.8Å; V561-I563 PolarHBondContact O-N 3.15Å
562	E	25.6	Very low	26.9	Very low	133 Å²	133	129.4 Å²	129.4	62%	0.621	68%	0.677	S	S	*	*			trans	-75.4	105.6	163.7	-80.2	-165.5	-136.8	0	0	108.8	N1069 R1073	E562-N1069 PolarHBondContact OE1-ND2 3.27Å; E562-R1073 IonicContact OE2-CZ 2.74Å; E562-R1073 IonicContact OE2-NH2 2.69Å; E562-R1073 PolarHBondContact OE2-NH2 3.48Å
563	I	23.3	Very low	26	Very low	122 Å²	122	131.8 Å²	131.8	63%	0.626	69%	0.692	S	S	*	*			trans	-111.4	150.3	161.3	-55.1	172.8	0	0	0	106.9	V561	V561-I563 HydrophobicContact CG1-CD1 3.78Å; V561-I563 HydrophobicContact CG1-CG1 3.8Å; V561-I563 PolarHBondContact O-N 3.15Å
564	F	24.3	Very low	25.7	Very low	158 Å²	158	135.3 Å²	135.3	69%	0.693	72%	0.72	S	S	*	*			trans	69.9	99.5	-177.1	-57.6	-73.5	0	0	0	116.1
565	N	27.3	Very low	25.3	Very low	122 Å²	122	134.7 Å²	134.7	65%	0.652	72%	0.718	S	S	*	*				-93.9	145.1	114.5	-98.6	-1	0	0	0	107.8	R1073	N565-R1073 PolarHBondContact OD1-NH1 3.45Å
566	E	24.9	Very low	25.1	Very low	155 Å²	155	134 Å²	134	72%	0.724	73%	0.725	S	S	*	*			trans	-87	165.7	-173.9	-71.5	-175.9	105.7	0	0	114.3
567	F	24.4	Very low	25.2	Very low	194 Å²	194	132 Å²	132	85%	0.851	72%	0.724	S	S	*	*			trans	-1.2	113.2	153.9	-67.4	-91.9	0	0	0	118.2
568	T	25.2	Very low	25.4	Very low	129 Å²	129	129.3 Å²	129.3	79%	0.791	72%	0.721	S	S	*	*				-147.4	161.9	126.6	26.1	0	0	0	0	109.6
569	N	26.1	Very low	25.5	Very low	155 Å²	155	129.5 Å²	129.5	83%	0.829	72%	0.718	S	S	*	*			trans	63	84.2	170.8	-58.9	-19.8	0	0	0	116.1
570	T	26.1	Very low	25.7	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	72%	0.721	S	S	*	*			trans	-51.4	158	158.8	45.8	0	0	0	0	113.7
571	T	25.5	Very low	26	Very low	117 Å²	117	128.4 Å²	128.4	72%	0.718	71%	0.71	S	S	*	*			trans	72.3	111.9	155.8	46.1	0	0	0	0	120.2
572	N	26.1	Very low	26.1	Very low	127 Å²	127	128.3 Å²	128.3	68%	0.679	71%	0.71	S	S	*	*			trans	104.5	91.5	131.9	-60.8	-8.6	0	0	0	120.5
573	N	25.8	Very low	26.1	Very low	134 Å²	134	127 Å²	127	72%	0.717	71%	0.707	S	S	*	*				74.3	128.6	120.5	-57.9	-15.9	0	0	0	121.3
574	S	25.9	Very low	26.3	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	71%	0.714	S	S	*	*			trans	63.8	140.7	147.3	49.7	0	0	0	0	119.2
575	S	25.7	Very low	26.5	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	71%	0.714	S	S	*	*			cis	-166.3	174.9	-11.1	51.2	0	0	0	0	110.5
576	S	26.7	Very low	26.5	Very low	92 Å²	92	128 Å²	128	64%	0.643	72%	0.716	S	S	*	*			trans	59.6	110.4	148.2	55.4	0	0	0	0	119.6
577	S	26	Very low	26.6	Very low	106 Å²	106	125.6 Å²	125.6	74%	0.741	72%	0.716	S	S	*	*				83.4	153.9	120.3	81.9	0	0	0	0	118.1
578	M	27.6	Very low	26.8	Very low	155 Å²	155	123 Å²	123	76%	0.764	72%	0.715	S	S	*	*			cis	-157.2	140	-2.8	-134.5	179.2	-176.4	0	0	111.7
579	N	27.1	Very low	26.8	Very low	120 Å²	120	122.5 Å²	122.5	64%	0.642	71%	0.712	S	S	*	*			trans	62	151	135.7	-76.9	11.1	0	0	0	124.5
580	N	28	Very low	26.8	Very low	132 Å²	132	119.2 Å²	119.2	71%	0.706	70%	0.697	S	S	*	*			trans	82	138.5	145	-70.4	4.1	0	0	0	121
581	T	28.2	Very low	26.8	Very low	100 Å²	100	116.3 Å²	116.3	61%	0.613	68%	0.683	S	S	*	*			cis	-172.9	146.6	-17.5	20.3	0	0	0	0	110.8
582	T	27.7	Very low	26.9	Very low	109 Å²	109	111.7 Å²	111.7	67%	0.669	66%	0.658	S	S	*	*			trans	63.3	153.6	140.3	63.7	0	0	0	0	121.3
583	N	25.9	Very low	26.9	Very low	104 Å²	104	112.5 Å²	112.5	56%	0.556	65%	0.653	S	S	*	*			cis	-170.1	176.1	-15.1	-102.9	2.3	0	0	0	110.1
584	Y	29	Very low	26.9	Very low	195 Å²	195	113.8 Å²	113.8	77%	0.765	65%	0.654	S	S	*	*			trans	78	136.7	153.4	-52.6	-49.2	0	0	0	118.5
585	D	27.5	Very low	26.8	Very low	131 Å²	131	113.1 Å²	113.1	70%	0.701	65%	0.65	S	S	*	*			cis	-163	147.7	-10.9	-127.4	-20.3	0	0	0	117.3
586	S	27.6	Very low	26.7	Very low	99 Å²	99	114.9 Å²	114.9	69%	0.692	65%	0.651	S	S	*	*			trans	63.7	154.8	137.7	80.4	0	0	0	0	124.1
587	S	27.4	Very low	26.7	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	65%	0.652	S	S	*	*			cis	-177	160	-25.1	58.7	0	0	0	0	116.8
588	V	26.9	Very low	26.7	Very low	139 Å²	139	117.9 Å²	117.9	84%	0.842	65%	0.651	S	S	*	*			trans	79.2	161.7	137.7	144.9	0	0	0	0	124.4
589	V	26.1	Very low	26.5	Very low	119 Å²	119	117 Å²	117	72%	0.721	65%	0.654	S	S	*	*				-170.4	165.4	-68.2	83.6	0	0	0	0	114.7
590	V	26.3	Very low	26.5	Very low	86 Å²	86	114.3 Å²	114.3	52%	0.521	66%	0.655	S	S	.	*			trans	78	148.9	158	158.6	0	0	0	0	120.4	L654	V590-L654 VanDerWaalsContact O-CD1 3.25Å; V590-L654 WeakPolarHBondContact O-CD1 3.33Å
591	S	26.4	Very low	26.4	Very low	65 Å²	65	114.7 Å²	114.7	46%	0.455	66%	0.662	S	S	.	*			cis	-152.1	157.8	10	-151.4	0	0	0	0	118.2	H653 L654	S591-H653 VanDerWaalsContact CA-CD2 3.44Å; S591-H653 WeakPolarHBondContact CA-CD2 3.47Å; S591-L654 WeakPolarHBondContact O-CD2 3.5Å; S591-L654 VanDerWaalsContact O-CG 3.22Å; S591-L654 WeakPolarHBondContact O-CG 3.39Å
592	G	27.3	Very low	26.3	Very low	20 Å²	20	113.8 Å²	113.8	21%	0.206	67%	0.665	C	S	.	*			trans	143.3	143.3	153.7	0	0	0	0	0	120.2	H653	G592-H653 PolarHBondContact N-CE1 3.06Å; G592-H653 PolarHBondContact N-ND1 3.1Å
593	Y	25.5	Very low	26.2	Very low	143 Å²	143	114.8 Å²	114.8	56%	0.561	67%	0.671	S	S	*	*			trans	-156.6	158.2	-172.2	-115.7	-79.1	0	0	0	117.5	M651 D652	Y593-M651 HydrophobicContact CD2-CE 4.12Å; Y593-M651 HydrophobicContact CE2-CE 3.64Å; Y593-M651 HydrophobicContact CE2-CG 4.19Å; Y593-D652 WeakPolarHBondContact CE2-OD1 3.43Å; Y593-D652 WeakPolarHBondContact CE2-OD2 3.4Å
594	Q	26.3	Very low	26.2	Very low	162 Å²	162	115.6 Å²	115.6	76%	0.757	68%	0.68	S	S	*	*			trans	70.2	172.1	157	-103.1	-174	94.9	0	0	120.4
595	S	24.5	Very low	26	Very low	98 Å²	98	111.8 Å²	111.8	69%	0.685	68%	0.677	S	S	*	*			cis	-165.6	-169.3	-6.6	57.3	0	0	0	0	109.3
596	L	22.6	Very low	26	Very low	134 Å²	134	110.6 Å²	110.6	70%	0.702	68%	0.675	S	S	*	*			cis	-164.7	171.7	-31.9	-109.3	173.1	0	0	0	111.6
597	N	26.3	Very low	25.8	Very low	127 Å²	127	111.2 Å²	111.2	68%	0.679	68%	0.675	S	S	*	*			trans	64.8	155.3	160.2	-64.7	-5.3	0	0	0	121
598	N	26	Very low	25.8	Very low	135 Å²	135	112.7 Å²	112.7	72%	0.722	68%	0.675	S	S	*	*			cis	-163	144.6	-13.2	-110.6	-3.9	0	0	0	115.6
599	V	24.7	Very low	25.7	Very low	135 Å²	135	111.9 Å²	111.9	82%	0.818	67%	0.67	S	S	*	*			trans	63.5	129	137.8	179.4	0	0	0	0	125
600	G	27.7	Very low	25.7	Very low	65 Å²	65	112.1 Å²	112.1	67%	0.67	67%	0.672	S	S	*	*			trans	108.8	150.9	141.4	0	0	0	0	0	119.1
601	T	24.5	Very low	25.6	Very low	139 Å²	139	113.2 Å²	113.2	85%	0.853	68%	0.679	S	S	*	*			cis	-176.4	156	-35.8	11.6	0	0	0	0	110.6
602	A	26.8	Very low	25.5	Very low	82 Å²	82	116.8 Å²	116.8	68%	0.678	69%	0.693	S	S	*	*			trans	78.1	120.3	158.5	0	0	0	0	0	119.5
603	T	25	Very low	25.5	Very low	129 Å²	129	120.9 Å²	120.9	79%	0.791	72%	0.718	S	S	*	*				74.6	149	98.6	65.7	0	0	0	0	116.1
604	T	26.5	Very low	25.5	Very low	122 Å²	122	121 Å²	121	75%	0.748	73%	0.729	S	S	*	*			cis	-157.4	-178.4	12.7	-11.1	0	0	0	0	112.5
605	T	23.9	Very low	25.5	Very low	114 Å²	114	120.6 Å²	120.6	70%	0.699	73%	0.732	S	S	*	*			trans	-36.7	175.5	168.1	57.2	0	0	0	0	118.6
606	T	27.2	Very low	25.4	Very low	107 Å²	107	123 Å²	123	66%	0.656	74%	0.737	S	S	*	*			cis	-172	130.2	36.9	-13.1	0	0	0	0	113.3
607	T	24.5	Very low	25.4	Very low	111 Å²	111	123.8 Å²	123.8	68%	0.681	74%	0.741	S	S	*	*				59.3	153.3	128.6	61.9	0	0	0	0	127.1
608	N	26.2	Very low	25.2	Very low	135 Å²	135	124.6 Å²	124.6	72%	0.722	75%	0.745	S	S	*	*			trans	91.8	104.3	153.9	-64.4	-13	0	0	0	118.8
609	T	25.2	Very low	25	Very low	122 Å²	122	126.9 Å²	126.9	75%	0.748	75%	0.749	S	S	*	*				74.1	134.2	92.9	69.5	0	0	0	0	114.2
610	T	25.9	Very low	24.9	Very low	123 Å²	123	128.7 Å²	128.7	76%	0.755	75%	0.75	S	S	*	*			cis	-142.9	-166.3	20.7	57.6	0	0	0	0	110.8
611	T	25.7	Very low	24.6	Very low	110 Å²	110	132 Å²	132	68%	0.675	75%	0.753	S	S	*	*			cis	-162.3	165.3	-2.8	-5.5	0	0	0	0	110.8
612	N	24.7	Very low	24.5	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	75%	0.754	S	S	*	*			trans	74.4	139.8	150.2	-69.4	0.2	0	0	0	123.2
613	S	26.5	Very low	24.3	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	76%	0.755	S	S	*	*			trans	56	106.3	174	36.9	0	0	0	0	115.5
614	N	24.6	Very low	24.2	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	75%	0.754	S	S	*	*				66	126.2	61.4	-58.7	18.8	0	0	0	111.3
615	D	26.9	Very low	24.1	Very low	153 Å²	153	140.6 Å²	140.6	82%	0.818	76%	0.759	S	S	*	*			cis	-118.3	141.6	14.8	-71.8	-54.6	0	0	0	114.9
616	N	22.4	Very low	24.1	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	77%	0.765	S	S	*	*			trans	-85	160.2	149.5	-64.2	-73.2	0	0	0	107.9
617	L	22.8	Very low	24	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	77%	0.765	S	S	*	*				174.9	140.9	124.2	-94.9	159.5	0	0	0	113
618	L	22.4	Very low	24	Very low	144 Å²	144	142.6 Å²	142.6	75%	0.754	77%	0.771	S	S	*	*			trans	63.1	123.1	156.7	-56.8	163.9	0	0	0	117.4
619	F	22	Very low	23.9	Very low	184 Å²	184	140.5 Å²	140.5	81%	0.807	77%	0.766	S	S	*	*				59.5	106	60.2	-82.7	-85.6	0	0	0	115.4
620	M	21.7	Very low	23.9	Very low	172 Å²	172	142.5 Å²	142.5	85%	0.847	77%	0.772	S	S	*	*			trans	-163.7	127.6	132.5	-100.4	164.1	-160.9	0	0	106.9
621	N	21.6	Very low	23.9	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	77%	0.765	S	S	*	*				57.7	111.2	92.5	-66.9	14.8	0	0	0	110.8
622	W	23.1	Very low	23.8	Very low	231 Å²	231	141 Å²	141	88%	0.875	77%	0.771	S	S	*	*				50	126.5	55.3	-79.7	95.2	0	0	0	113.9
623	D	22.2	Very low	23.9	Very low	131 Å²	131	139.7 Å²	139.7	70%	0.701	76%	0.764	S	S	*	*			trans	69.4	159.5	169.1	-53.4	-30.8	0	0	0	119.8
624	T	23.3	Very low	23.9	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	76%	0.763	S	S	*	*			trans	69.6	97.7	174.4	66.4	0	0	0	0	117.7
625	L	23.6	Very low	23.9	Very low	163 Å²	163	143.6 Å²	143.6	85%	0.853	76%	0.758	S	S	*	*				-171.4	58.1	108.6	-98.8	166.8	0	0	0	112.4
626	S	24.5	Very low	23.9	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	75%	0.751	S	S	*	*			trans	-73.9	119.3	152.2	52.2	0	0	0	0	108.6
627	T	24.9	Very low	24	Very low	109 Å²	109	145.9 Å²	145.9	67%	0.669	75%	0.753	S	S	*	*			trans	-85.4	120.5	170.3	49.6	0	0	0	0	110.2
628	D	23.7	Very low	24.2	Very low	149 Å²	149	148.9 Å²	148.9	80%	0.797	76%	0.755	S	S	*	*			trans	66.1	136	159	-50.4	-34.4	0	0	0	118.2
629	S	24.4	Very low	24.2	Very low	90 Å²	90	146.1 Å²	146.1	63%	0.629	75%	0.748	S	S	*	*			cis	-166.3	157.8	-13.3	54.2	0	0	0	0	110
630	L	24.6	Very low	24.4	Very low	165 Å²	165	143.7 Å²	143.7	86%	0.864	74%	0.743	S	S	*	*			trans	66.6	146.8	166.9	-56.5	152	0	0	0	116.1
631	S	25.5	Very low	24.5	Very low	88 Å²	88	141.5 Å²	141.5	62%	0.615	73%	0.734	S	S	*	*			cis	-171.9	131.2	-18.9	49.5	0	0	0	0	111
632	S	25.5	Very low	24.6	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	74%	0.737	S	S	*	*			trans	63.9	151.9	158.7	75.8	0	0	0	0	116.9
633	D	26.6	Very low	24.6	Very low	111 Å²	111	138.8 Å²	138.8	59%	0.594	73%	0.728	S	S	*	*			cis	-159	152.9	-6.3	-143.1	-20.7	0	0	0	109.7
634	R	26	Very low	24.7	Very low	193 Å²	193	143 Å²	143	73%	0.728	73%	0.734	S	S	*	*			trans	52.3	115.6	158.3	-69.4	157.7	-134	-162	9.5	120
635	E	24.6	Very low	24.7	Very low	141 Å²	141	140.6 Å²	140.6	66%	0.659	72%	0.722	S	S	*	*				86.3	135.7	64.3	-84.6	-159.9	118	0	0	117.8
636	K	25.6	Very low	24.8	Very low	155 Å²	155	141.8 Å²	141.8	67%	0.674	72%	0.72	S	S	*	*			trans	93.2	124.1	139.9	-80.5	159.5	179.3	144.8	0	122.3
637	K	26.2	Very low	25	Very low	193 Å²	193	141 Å²	141	84%	0.839	72%	0.715	S	S	*	*			trans	92.1	121.9	160.1	-60.4	167.5	-178.8	175.4	0	115.7
638	Y	25.8	Very low	25	Very low	214 Å²	214	143.4 Å²	143.4	84%	0.839	72%	0.716	S	S	*	*			cis	110.3	107.4	25.6	-96.8	-76	0	0	0	112.4
639	S	23.4	Very low	25.1	Very low	86 Å²	86	142.6 Å²	142.6	60%	0.601	71%	0.707	S	S	*	*			trans	69.4	136	138.1	69.4	0	0	0	0	121.4
640	N	25.1	Very low	25.1	Very low	133 Å²	133	144.6 Å²	144.6	71%	0.711	71%	0.707	S	S	*	*				131.7	123	116.4	-86.4	-25.6	0	0	0	117.9
641	I	24.5	Very low	25.1	Very low	126 Å²	126	142.3 Å²	142.3	65%	0.646	69%	0.693	S	S	*	*				97.9	107.7	126.1	-74.5	171.4	0	0	0	120.1
642	F	24.2	Very low	25.2	Very low	178 Å²	178	141.9 Å²	141.9	78%	0.781	68%	0.684	S	S	*	*			trans	66.5	154.8	135.4	-79.3	-132.1	0	0	0	119
643	L	23	Very low	25.2	Very low	132 Å²	132	139.7 Å²	139.7	69%	0.691	66%	0.661	S	S	*	*			cis	163.3	151.6	-20.2	-129.4	167.3	0	0	0	104.9
644	R	23.3	Very low	25.2	Very low	220 Å²	220	139.8 Å²	139.8	83%	0.83	66%	0.661	S	S	*	*			trans	73.6	153	167.3	-71.6	-177.4	167.3	166.2	-1.8	117.7
645	S	24.6	Very low	25.2	Very low	77 Å²	77	136 Å²	136	54%	0.538	65%	0.653	S	S	.	*			cis	156.6	157.8	-26.4	61	0	0	0	0	108.2
646	K	25.1	Very low	25.3	Very low	187 Å²	187	135 Å²	135	81%	0.813	65%	0.651	S	S	*	*			trans	80.5	143.9	171	-57.9	168.8	-175.5	177.5	0	112.8
647	S	27.7	Very low	25.3	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	65%	0.652	S	S	*	*			cis	-175.3	-177.5	-5.3	53.5	0	0	0	0	108.9
648	K	26.1	Very low	25.2	Very low	160 Å²	160	133.8 Å²	133.8	70%	0.696	65%	0.652	S	S	*	*			cis	-172.4	163.3	11.9	-138.3	160.8	156.9	-145.6	0	108
649	Q	25.9	Very low	25.1	Very low	132 Å²	132	133.8 Å²	133.8	62%	0.617	65%	0.65	S	S	*	*			trans	67	148.6	154.1	-71.4	159.7	-102.9	0	0	116.2
650	Q	24.7	Very low	25.2	Very low	133 Å²	133	136.9 Å²	136.9	62%	0.621	66%	0.659	S	S	*	*			cis	-155.3	153.2	-5.9	-129.1	162.8	-58.4	0	0	111.2
651	M	24.7	Very low	25.2	Very low	116 Å²	116	134.7 Å²	134.7	57%	0.571	66%	0.655	S	S	*	*			trans	38.6	130.8	137	-69	172.9	136.4	0	0	118.9	Y593	Y593-M651 HydrophobicContact CD2-CE 4.12Å; Y593-M651 HydrophobicContact CE2-CE 3.64Å; Y593-M651 HydrophobicContact CE2-CG 4.19Å
652	D	25.9	Very low	25.2	Very low	80 Å²	80	134.5 Å²	134.5	43%	0.428	66%	0.659	S	S	.	*			cis	-176	-163.7	13.7	-126.6	-42	0	0	0	109.9	Y593	Y593-D652 WeakPolarHBondContact CE2-OD1 3.43Å; Y593-D652 WeakPolarHBondContact CE2-OD2 3.4Å
653	H	27.2	Very low	25.2	Very low	68 Å²	68	137.9 Å²	137.9	32%	0.315	67%	0.667	S	S	.	*			cis	-159.7	177.9	6.5	-115.1	-31.2	0	0	0	109.6	S591 G592	S591-H653 VanDerWaalsContact CA-CD2 3.44Å; S591-H653 WeakPolarHBondContact CA-CD2 3.47Å; G592-H653 PolarHBondContact N-CE1 3.06Å; G592-H653 PolarHBondContact N-ND1 3.1Å
654	L	26.5	Very low	25.3	Very low	113 Å²	113	136.5 Å²	136.5	59%	0.592	67%	0.668	S	S	*	*			trans	59.5	97	171.3	-76.9	168.5	0	0	0	116.7	V590 S591	V590-L654 VanDerWaalsContact O-CD1 3.25Å; V590-L654 WeakPolarHBondContact O-CD1 3.33Å; S591-L654 WeakPolarHBondContact O-CD2 3.5Å; S591-L654 VanDerWaalsContact O-CG 3.22Å; S591-L654 WeakPolarHBondContact O-CG 3.39Å
655	M	25.7	Very low	25.3	Very low	112 Å²	112	133.1 Å²	133.1	55%	0.552	67%	0.667	S	S	*	*				81.2	146.5	59.9	-66.6	-108	-76.5	0	0	115.4
656	I	25.8	Very low	25.3	Very low	121 Å²	121	141.7 Å²	141.7	62%	0.621	69%	0.687	S	S	*	*			cis	175.2	162.5	-33.1	-106.9	159.5	0	0	0	107
657	N	25.2	Very low	25.1	Very low	132 Å²	132	144 Å²	144	71%	0.706	69%	0.691	S	S	*	*			trans	80.2	130.5	-179.5	-53.9	-55.3	0	0	0	115.3
658	K	26	Very low	25	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.826	69%	0.694	S	S	*	*			cis	-128.7	141.2	-7.1	-61.1	177.7	-179	169.2	0	107.4
659	R	23.9	Very low	24.9	Very low	214 Å²	214	148.3 Å²	148.3	81%	0.808	70%	0.698	S	S	*	*			cis	78	127.3	41.6	-151.2	-171.8	-160.8	172.3	5.7	112.5
660	L	24.3	Very low	24.7	Very low	151 Å²	151	146.3 Å²	146.3	79%	0.791	70%	0.698	S	S	*	*			trans	73.4	122.6	178.1	-47.6	171.9	0	0	0	114.1
661	S	24.6	Very low	24.7	Very low	88 Å²	88	150.5 Å²	150.5	62%	0.615	72%	0.715	S	S	*	*			cis	95.3	143.7	26.5	83.1	0	0	0	0	115.6
662	T	25.8	Very low	24.6	Very low	121 Å²	121	149.1 Å²	149.1	74%	0.742	72%	0.717	S	S	*	*			trans	59.3	98.3	159.1	50.7	0	0	0	0	119.8
663	R	22.9	Very low	24.4	Very low	250 Å²	250	151.2 Å²	151.2	94%	0.943	73%	0.728	S	S	*	*				64.1	53.3	114.7	-155	-167.1	-169.1	177.3	5	119
664	S	25.4	Very low	24.3	Very low	103 Å²	103	156.7 Å²	156.7	72%	0.72	76%	0.758	S	S	*	*			trans	-160.6	116.3	147.9	57.4	0	0	0	0	111.8
665	D	24.3	Very low	24.1	Very low	149 Å²	149	157.4 Å²	157.4	80%	0.797	76%	0.762	S	S	*	*			trans	176.7	69	142.9	-94.7	-8.8	0	0	0	110.4
666	W	23	Very low	24.1	Very low	256 Å²	256	160.2 Å²	160.2	97%	0.97	77%	0.771	S	S	*	*			trans	-81.2	139	150.2	-86.2	48.8	0	0	0	107.5
667	R	22.2	Very low	24	Very low	237 Å²	237	158.8 Å²	158.8	89%	0.894	77%	0.772	S	S	*	*			trans	80.3	82.5	-175.8	-50.2	174.4	177.7	-168.8	-1.4	115.9
668	K	24.8	Very low	24	Very low	174 Å²	174	160.3 Å²	160.3	76%	0.757	78%	0.78	S	S	*	*			trans	175.4	127.7	144	-97.4	170.5	-177.6	174.5	0	107.7
669	F	24.3	Very low	24.1	Very low	175 Å²	175	154.4 Å²	154.4	77%	0.768	77%	0.773	S	S	*	*	S	Bend	cis	-138.1	109.2	-8.4	-87.6	-72.8	0	0	0	105.6
670	S	22.8	Very low	24.3	Very low	89 Å²	89	151.4 Å²	151.4	62%	0.622	77%	0.773	S	S	*	*				86.8	113.7	83	69	0	0	0	0	114.6	S672	S670-S672 PolarHBondContact O-N 3.38Å
671	F	22.8	Very low	24.4	Very low	221 Å²	221	149.3 Å²	149.3	97%	0.969	76%	0.763	S	S	*	*	S	Bend	trans	-55.8	118.1	156.1	-99	-105.2	0	0	0	109.7
672	S	22.6	Very low	24.6	Very low	88 Å²	88	153.8 Å²	153.8	62%	0.615	77%	0.768	S	S	*	*			trans	-175.5	162.8	150.4	50.4	0	0	0	0	111.3	S670	S670-S672 PolarHBondContact O-N 3.38Å
673	N	23.3	Very low	24.9	Very low	123 Å²	123	154.1 Å²	154.1	66%	0.658	76%	0.76	S	S	*	*			trans	62.7	63.6	157.4	-59.8	7	0	0	0	118.9
674	L	24	Very low	25.2	Very low	184 Å²	184	147.6 Å²	147.6	96%	0.963	74%	0.744	S	S	*	*	S	Bend		-98.6	43.6	126.8	-158	84	0	0	0	110.6
675	L	23.1	Very low	25.4	Very low	128 Å²	128	147.8 Å²	147.8	67%	0.67	74%	0.737	S	S	*	*	S	Bend	trans	-151.3	96.8	174	-102.5	172.8	0	0	0	109.6
676	K	25	Very low	25.6	Very low	171 Å²	171	149.9 Å²	149.9	74%	0.743	73%	0.734	S	S	*	*			trans	76	141.9	155.4	-56.8	-179.4	177.9	-178.9	0	121.5
677	S	24.8	Very low	26.1	Very low	91 Å²	91	144.1 Å²	144.1	64%	0.636	72%	0.718	S	S	*	*			trans	68.3	101.7	143.5	53.8	0	0	0	0	122.3
678	D	25	Very low	26.4	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	71%	0.707	S	S	*	*				77.1	122.2	114.6	-46.4	-26.3	0	0	0	122.7
679	G	27.3	Very low	26.7	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	71%	0.706	S	S	*	*			trans	85.4	145.3	150.5	0	0	0	0	0	118.9
680	D	27.4	Very low	27	Very low	152 Å²	152	134 Å²	134	81%	0.813	70%	0.701	S	S	*	*			cis	-164.4	172.7	-21.4	-107	-26.2	0	0	0	109.5
681	D	28	Very low	27.3	Very low	107 Å²	107	136.3 Å²	136.3	57%	0.572	71%	0.705	S	S	*	*			trans	53.6	105.9	153.8	-70.3	8.9	0	0	0	119.8
682	Y	28.4	Very low	27.7	Very low	182 Å²	182	133 Å²	133	71%	0.714	69%	0.692	S	S	*	*				105.6	152.7	82.5	-81.1	-22.4	0	0	0	111.7
683	H	31.2	Very low	28	Very low	127 Å²	127	135.1 Å²	135.1	59%	0.588	70%	0.697	S	S	*	*			cis	-158.8	151.2	5.4	-125.9	-23.7	0	0	0	110.9
684	N	29.7	Very low	28.3	Very low	114 Å²	114	136 Å²	136	61%	0.61	70%	0.701	S	S	*	*			trans	69.1	147.3	138.6	-66.8	-18.5	0	0	0	120.7
685	N	29.6	Very low	28.4	Very low	106 Å²	106	134.7 Å²	134.7	57%	0.567	69%	0.69	S	S	*	*			cis	-162	162.3	-4.7	-127.7	-35.8	0	0	0	114.6
686	R	28.8	Very low	28.7	Very low	193 Å²	193	135.6 Å²	135.6	73%	0.728	70%	0.701	S	S	*	*			trans	70.5	146.1	149.1	-71.6	163.1	-166.6	-168.8	1	118.6
687	H	32.1	Very low	28.6	Very low	136 Å²	136	134 Å²	134	63%	0.63	70%	0.7	S	S	*	*			cis	-150.1	139.4	4.1	-115.4	-53.1	0	0	0	111.7
688	N	30.5	Very low	28.9	Very low	126 Å²	126	135.9 Å²	135.9	67%	0.674	71%	0.708	S	S	*	*			trans	65.2	141.7	151.6	-51.7	-12.1	0	0	0	116.8
689	N	30.3	Very low	29	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	70%	0.699	S	S	*	*			cis	-168.7	161.1	6.8	-116.2	14.7	0	0	0	108.7
690	V	30.5	Very low	29	Very low	107 Å²	107	136.6 Å²	136.6	65%	0.648	70%	0.701	S	S	*	*			cis	-163	145.8	-6.9	85	0	0	0	0	112.1
691	I	29.9	Very low	29.1	Very low	138 Å²	138	136.4 Å²	136.4	71%	0.708	70%	0.7	S	S	*	*			trans	65.6	118.4	152.1	-74.4	159.8	0	0	0	124.1
692	H	30.3	Very low	29	Very low	151 Å²	151	138.3 Å²	138.3	70%	0.699	71%	0.71	S	S	*	*			trans	29	143.2	145.5	-54.3	-49.7	0	0	0	124.3
693	N	27.9	Very low	28.9	Very low	133 Å²	133	139 Å²	139	71%	0.711	72%	0.717	S	S	*	*			cis	97	139.4	23.1	-76.3	9.8	0	0	0	117.7
694	N	29.7	Very low	28.5	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	73%	0.726	S	S	*	*			trans	126	106.6	151.7	-64.4	-16.9	0	0	0	111.6
695	H	26.1	Very low	28.4	Very low	158 Å²	158	138.7 Å²	138.7	73%	0.731	74%	0.738	S	S	*	*				61.7	112.8	53	-82.4	-59.7	0	0	0	116.5
696	T	30.2	Very low	28.1	Very low	146 Å²	146	139.7 Å²	139.7	90%	0.896	75%	0.753	S	S	*	*			trans	-151.8	149.2	134.1	39	0	0	0	0	109.7
697	N	23.4	Very low	28	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	75%	0.749	S	S	*	*			trans	-118.7	156	-177.7	-54.9	-40.4	0	0	0	110.7
698	T	30.1	Very low	27.9	Very low	131 Å²	131	134 Å²	134	80%	0.804	75%	0.749	S	S	*	*			trans	-160.1	100.9	147.3	28.2	0	0	0	0	114.1
699	T	28.1	Very low	27.9	Very low	109 Å²	109	135 Å²	135	67%	0.669	75%	0.754	S	S	*	*				50.8	125.7	128	57.1	0	0	0	0	124.1
700	N	27.3	Very low	27.8	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	75%	0.749	S	S	*	*			trans	70.9	118.5	135.9	-53.1	-4.1	0	0	0	118.9
701	N	29.6	Very low	27.6	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	75%	0.754	S	S	*	*				-164.4	152.6	66.1	-99.7	-47.6	0	0	0	115.6
702	N	26.4	Very low	27.5	Very low	147 Å²	147	137.1 Å²	137.1	79%	0.786	75%	0.747	S	S	*	*			trans	-59.3	132.4	-172.6	-53.9	-43.6	0	0	0	117.2
703	K	24.9	Very low	27.5	Very low	196 Å²	196	133.1 Å²	133.1	85%	0.852	74%	0.736	S	S	*	*				-179	153.6	117.1	-97	161.4	-175.9	178.6	0	112.6
704	S	24	Very low	27.5	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	72%	0.723	S	S	*	*	S	Bend	trans	45.9	92.2	164.2	57.1	0	0	0	0	119.2
705	S	25.8	Very low	27.5	Very low	122 Å²	122	127.9 Å²	127.9	85%	0.853	71%	0.713	S	S	*	*			trans	170	100.6	140.8	39.1	0	0	0	0	112.3
706	S	25	Very low	27.7	Very low	126 Å²	126	127 Å²	127	88%	0.881	71%	0.709	S	S	*	*			trans	-157	39.4	-178.8	63.9	0	0	0	0	115.8
707	S	25.3	Very low	27.6	Very low	92 Å²	92	122.7 Å²	122.7	64%	0.643	69%	0.685	S	S	*	*	S	Bend	trans	-119.3	-21.8	175.9	53.3	0	0	0	0	114.7
708	N	29.8	Very low	27.8	Very low	119 Å²	119	122.7 Å²	122.7	64%	0.636	68%	0.679	S	S	*	*	S	Bend	trans	-92.1	-15	-164	-65.9	4.3	0	0	0	114.7
709	N	31.4	Very low	27.8	Very low	146 Å²	146	120.7 Å²	120.7	78%	0.781	67%	0.671	S	S	*	*	H	α-helix	trans	-86	-15.5	-172.6	-70.5	-1.9	0	0	0	114.8
710	I	28.2	Very low	27.7	Very low	122 Å²	122	124.8 Å²	124.8	63%	0.626	67%	0.674	S	S	*	*	H	α-helix	trans	-85.3	-29.8	178.6	-61.3	175.4	0	0	0	111.4	N712 S713 I714	I710-N712 VanDerWaalsContact C-N 3.35Å; I710-N712 PolarHBondContact O-N 3.03Å; I710-S713 PolarHBondContact O-OG 3.31Å; I710-S713 VanDerWaalsContact O-OG 3.06Å; I710-I714 HydrophobicContact CG2-CD1 4.02Å; I710-I714 WeakPolarHBondContact O-CG1 3.25Å; I710-I714 PolarHBondContact O-N 3.37Å
711	R	25.8	Very low	27.7	Very low	202 Å²	202	122.6 Å²	122.6	76%	0.762	66%	0.662	S	S	*	*	H	α-helix	trans	-67.5	-36.2	-177.9	-142.7	167.9	-173.8	158.4	-1.4	112	I714 S715	R711-I714 PolarHBondContact O-N 3.46Å; R711-S715 PolarHBondContact O-N 3.05Å; R711-S715 VanDerWaalsContact O-N 3.12Å; R711-S715 PolarHBondContact O-OG 3.41Å
712	N	29.1	Very low	27.7	Very low	104 Å²	104	122.9 Å²	122.9	56%	0.556	65%	0.653	S	S	*	*	H	α-helix	trans	-73.2	-34.1	-177.5	-68.5	-3.6	0	0	0	113.7	I710 Q716	I710-N712 VanDerWaalsContact C-N 3.35Å; I710-N712 PolarHBondContact O-N 3.03Å; N712-Q716 WeakPolarHBondContact O-CG 3.45Å; N712-Q716 PolarHBondContact O-N 3.03Å; N712-Q716 VanDerWaalsContact O-N 3.14Å
713	S	29.6	Very low	27.9	Very low	68 Å²	68	119.8 Å²	119.8	48%	0.476	64%	0.643	S	S	.	*	H	α-helix	trans	-71.8	-31.7	176	54	0	0	0	0	112.4	I710 S717	I710-S713 PolarHBondContact O-OG 3.31Å; I710-S713 VanDerWaalsContact O-OG 3.06Å; S713-S717 PolarHBondContact O-N 2.86Å
714	I	28.4	Very low	27.9	Very low	86 Å²	86	117.6 Å²	117.6	44%	0.441	63%	0.63	S	S	.	*	H	α-helix	trans	-69.5	-45.7	173.2	-63.8	171.3	0	0	0	110.6	I710 R711 Q716 S717 F718	I710-I714 HydrophobicContact CG2-CD1 4.02Å; I710-I714 WeakPolarHBondContact O-CG1 3.25Å; I710-I714 PolarHBondContact O-N 3.37Å; R711-I714 PolarHBondContact O-N 3.46Å; I714-Q716 VanDerWaalsContact C-N 3.26Å; I714-Q716 PolarHBondContact O-N 3.34Å; I714-S717 PolarHBondContact O-N 3.05Å; I714-S717 VanDerWaalsContact O-N 3.12Å; I714-S717 PolarHBondContact O-OG 3.23Å; I714-F718 HydrophobicContact CG2-CD2 4.12Å; I714-F718 HydrophobicContact CG2-CE2 3.94Å; I714-F718 WeakPolarHBondContact O-CD2 3.45Å; I714-F718 PolarHBondContact O-N 3.27Å
715	S	30.1	Very low	28.2	Very low	77 Å²	77	118.2 Å²	118.2	54%	0.538	62%	0.624	S	S	.	*	H	α-helix	trans	-60.7	-35.3	175.9	-61.3	0	0	0	0	112.8	R711 S719	R711-S715 PolarHBondContact O-N 3.05Å; R711-S715 VanDerWaalsContact O-N 3.12Å; R711-S715 PolarHBondContact O-OG 3.41Å; S715-S719 PolarHBondContact O-N 3.29Å
716	Q	30.1	Very low	28.6	Very low	139 Å²	139	122.8 Å²	122.8	65%	0.65	62%	0.624	S	S	*	*	H	α-helix	trans	-72.4	-25.1	175.8	-73.8	-178.8	-3.2	0	0	114.1	N712 I714 R720	N712-Q716 WeakPolarHBondContact O-CG 3.45Å; N712-Q716 PolarHBondContact O-N 3.03Å; N712-Q716 VanDerWaalsContact O-N 3.14Å; I714-Q716 VanDerWaalsContact C-N 3.26Å; I714-Q716 PolarHBondContact O-N 3.34Å; Q716-R720 PolarHBondContact O-N 3.41Å
717	S	26.9	Very low	28.9	Very low	57 Å²	57	123.7 Å²	123.7	40%	0.399	62%	0.618	S	S	.	*	H	α-helix	trans	-75.1	-39.7	176	71.1	0	0	0	0	112	S713 I714 S719 R720 N721	S713-S717 PolarHBondContact O-N 2.86Å; I714-S717 PolarHBondContact O-N 3.05Å; I714-S717 VanDerWaalsContact O-N 3.12Å; I714-S717 PolarHBondContact O-OG 3.23Å; S717-S719 PolarHBondContact O-N 3.49Å; S717-R720 PolarHBondContact O-N 3.36Å; S717-N721 PolarHBondContact O-N 2.92Å
718	F	27.8	Very low	29.1	Very low	136 Å²	136	123.9 Å²	123.9	60%	0.596	61%	0.612	S	S	*	*	H	α-helix	trans	-63.6	-38.3	174.5	-80.2	-78	0	0	0	112.9	I714 R720 N721	I714-F718 HydrophobicContact CG2-CD2 4.12Å; I714-F718 HydrophobicContact CG2-CE2 3.94Å; I714-F718 WeakPolarHBondContact O-CD2 3.45Å; I714-F718 PolarHBondContact O-N 3.27Å; F718-R720 VanDerWaalsContact C-N 3.26Å; F718-R720 PolarHBondContact O-N 3.4Å; F718-N721 PolarHBondContact O-N 3.16Å
719	S	30.5	Very low	29.1	Very low	90 Å²	90	120.8 Å²	120.8	63%	0.629	60%	0.595	S	S	*	*	H	α-helix	trans	-58.9	-35.6	173.7	177.7	0	0	0	0	112.8	S715 S717 N721	S715-S719 PolarHBondContact O-N 3.29Å; S717-S719 PolarHBondContact O-N 3.49Å; S719-N721 PolarHBondContact O-N 3.29Å
720	R	26.7	Very low	29.3	Very low	195 Å²	195	123.9 Å²	123.9	74%	0.736	60%	0.602	S	S	*	*	H	α-helix	trans	-79.3	-8.9	179.5	-75.9	-178.3	170.4	-179.7	-1.9	115.2	Q716 S717 F718 S723	Q716-R720 PolarHBondContact O-N 3.41Å; S717-R720 PolarHBondContact O-N 3.36Å; F718-R720 VanDerWaalsContact C-N 3.26Å; F718-R720 PolarHBondContact O-N 3.4Å; R720-S723 PolarHBondContact O-OG 3.39Å; R720-S723 VanDerWaalsContact O-OG 3.06Å
721	N	27.2	Very low	29.4	Very low	89 Å²	89	127.4 Å²	127.4	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-83.4	-22.1	-178.1	-74.7	-15.1	0	0	0	113.6	S717 F718 S719 S723 Y724	S717-N721 PolarHBondContact O-N 2.92Å; F718-N721 PolarHBondContact O-N 3.16Å; S719-N721 PolarHBondContact O-N 3.29Å; N721-S723 VanDerWaalsContact C-N 3.32Å; N721-S723 PolarHBondContact O-N 3.15Å; N721-Y724 VanDerWaalsContact O-CB 3.29Å; N721-Y724 WeakPolarHBondContact O-CB 3.49Å; N721-Y724 PolarHBondContact O-N 3.35Å
722	Y	29.6	Very low	29.8	Very low	154 Å²	154	122.8 Å²	122.8	60%	0.604	60%	0.598	S	S	*	*	H	α-helix	trans	-66.1	-31.8	176.8	-85.1	-82.4	0	0	0	113.3	Y724 L725	Y722-Y724 VanDerWaalsContact C-N 3.26Å; Y722-Y724 PolarHBondContact O-N 3Å; Y722-L725 PolarHBondContact O-N 3.42Å
723	S	29.4	Very low	29.8	Very low	82 Å²	82	122.9 Å²	122.9	57%	0.573	60%	0.598	S	S	*	*	H	α-helix	trans	-74	-14.7	172.5	42.4	0	0	0	0	113.6	R720 N721	R720-S723 PolarHBondContact O-OG 3.39Å; R720-S723 VanDerWaalsContact O-OG 3.06Å; N721-S723 VanDerWaalsContact C-N 3.32Å; N721-S723 PolarHBondContact O-N 3.15Å
724	Y	26.3	Very low	29.9	Very low	151 Å²	151	126 Å²	126	59%	0.592	61%	0.609	S	S	*	*	H	α-helix	trans	-74.9	-31.8	174.7	-133.1	-85.7	0	0	0	112.3	N721 Y722 L727 L728	N721-Y724 VanDerWaalsContact O-CB 3.29Å; N721-Y724 WeakPolarHBondContact O-CB 3.49Å; N721-Y724 PolarHBondContact O-N 3.35Å; Y722-Y724 VanDerWaalsContact C-N 3.26Å; Y722-Y724 PolarHBondContact O-N 3Å; Y724-L727 PolarHBondContact O-N 2.96Å; Y724-L728 HydrophobicContact CD1-CD1 3.93Å; Y724-L728 HydrophobicContact CD1-CG 4.23Å; Y724-L728 HydrophobicContact CE1-CD1 4.49Å; Y724-L728 WeakPolarHBondContact O-CG 3.44Å; Y724-L728 PolarHBondContact O-N 3.19Å
725	L	30.3	Very low	30.3	Very low	125 Å²	125	128.1 Å²	128.1	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-64.5	-37.8	174	-79.1	164.3	0	0	0	112.2	Y722 L727 L728	Y722-L725 PolarHBondContact O-N 3.42Å; L725-L727 PolarHBondContact O-N 3.37Å; L725-L728 PolarHBondContact O-N 3.28Å
726	Y	33.1	Very low	30.6	Very low	218 Å²	218	128.9 Å²	128.9	86%	0.855	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-18	179.5	-145.8	-85.5	0	0	0	113.3
727	L	30.7	Very low	30.9	Very low	145 Å²	145	123 Å²	123	76%	0.759	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-17.2	180	-138.6	73.2	0	0	0	113.3	Y724 L725 N729	Y724-L727 PolarHBondContact O-N 2.96Å; L725-L727 PolarHBondContact O-N 3.37Å; L727-N729 PolarHBondContact O-N 3.38Å
728	L	29.2	Very low	31.3	Very low	96 Å²	96	126.8 Å²	126.8	50%	0.503	60%	0.595	S	S	.	*	S	Bend	trans	-84	75.5	-172.6	-81.4	171.9	0	0	0	113.7	Y724 L725	Y724-L728 HydrophobicContact CD1-CD1 3.93Å; Y724-L728 HydrophobicContact CD1-CG 4.23Å; Y724-L728 HydrophobicContact CE1-CD1 4.49Å; Y724-L728 WeakPolarHBondContact O-CG 3.44Å; Y724-L728 PolarHBondContact O-N 3.19Å; L725-L728 PolarHBondContact O-N 3.28Å
729	N	30.6	Very low	32.1	Very low	54 Å²	54	123.6 Å²	123.6	29%	0.289	58%	0.582	S	S	.	*			trans	79.3	77.1	148.3	-42.9	-87.3	0	0	0	118.5	L727 K731 K732	L727-N729 PolarHBondContact O-N 3.38Å; N729-K731 PolarHBondContact O-N 2.91Å; N729-K732 HydrophobicContact CB-CB 3.62Å; N729-K732 HydrophobicContact CB-CD 3.92Å; N729-K732 HydrophobicContact CB-CG 3.63Å; N729-K732 PolarHBondContact O-N 3.18Å; N729-K732 VanDerWaalsContact OD1-CE 3.31Å; N729-K732 WeakPolarHBondContact OD1-CE 3.5Å
730	K	34.7	Very low	33	Very low	212 Å²	212	121.4 Å²	121.4	92%	0.922	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	20.5	152.1	-155	-178.6	-177.8	177.6	0	114.3
731	K	31.4	Very low	34.1	Very low	195 Å²	195	113 Å²	113	85%	0.848	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.3	17.5	177.4	-72.9	-164.5	172.8	-171.8	0	112.7	N729	N729-K731 PolarHBondContact O-N 2.91Å
732	K	33.5	Very low	35.5	Very low	106 Å²	106	110.4 Å²	110.4	46%	0.461	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-18.8	168	-69.9	-174.4	-170.2	177.8	0	114.1	N729 D734 H735 F736	N729-K732 HydrophobicContact CB-CB 3.62Å; N729-K732 HydrophobicContact CB-CD 3.92Å; N729-K732 HydrophobicContact CB-CG 3.63Å; N729-K732 PolarHBondContact O-N 3.18Å; N729-K732 VanDerWaalsContact OD1-CE 3.31Å; N729-K732 WeakPolarHBondContact OD1-CE 3.5Å; K732-D734 PolarHBondContact O-N 3.12Å; K732-H735 PolarHBondContact O-N 3.12Å; K732-F736 HydrophobicContact CB-CD2 4.19Å; K732-F736 HydrophobicContact CB-CE2 4.19Å; K732-F736 HydrophobicContact CD-CE2 4.41Å; K732-F736 WeakPolarHBondContact O-CD2 3.31Å; K732-F736 PolarHBondContact O-N 3.18Å; K732-F736 VanDerWaalsContact O-N 3.08Å
733	L	29.7	Very low	36.6	Very low	106 Å²	106	109.6 Å²	109.6	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-50.2	-45.1	-177.9	-105	80.6	0	0	0	112.3	H735 F736 A737	L733-H735 VanDerWaalsContact C-N 3.28Å; L733-H735 PolarHBondContact O-N 3.49Å; L733-F736 CarbonylContact O-C 3.34Å; L733-F736 WeakPolarHBondContact O-CA 3.35Å; L733-F736 WeakPolarHBondContact O-CB 3.5Å; L733-F736 PolarHBondContact O-N 3.46Å; L733-A737 WeakPolarHBondContact O-CB 3.46Å; L733-A737 PolarHBondContact O-N 3.46Å
734	D	31.1	Very low	37.6	Very low	132 Å²	132	111.5 Å²	111.5	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-61.8	-33.9	-179.1	-38.2	-29.3	0	0	0	112.9	K732 A737 F738	K732-D734 PolarHBondContact O-N 3.12Å; D734-A737 WeakPolarHBondContact O-CB 3.44Å; D734-A737 PolarHBondContact O-N 3.3Å; D734-F738 PolarHBondContact O-N 3.32Å
735	H	36.8	Very low	38.9	Very low	131 Å²	131	109.1 Å²	109.1	61%	0.606	52%	0.521	S	S	*	.	H	α-helix	trans	-77.8	-28.3	176.5	-163.8	-53.1	0	0	0	111.9	K732 L733 Q739	K732-H735 PolarHBondContact O-N 3.12Å; L733-H735 VanDerWaalsContact C-N 3.28Å; L733-H735 PolarHBondContact O-N 3.49Å; H735-Q739 PolarHBondContact ND1-OE1 3.33Å
736	F	36.5	Very low	40.4	Very low	94 Å²	94	106.3 Å²	106.3	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-71.9	-41	168.4	-79.8	-117.1	0	0	0	110	K732 L733 F738 Q739 Y740	K732-F736 HydrophobicContact CB-CD2 4.19Å; K732-F736 HydrophobicContact CB-CE2 4.19Å; K732-F736 HydrophobicContact CD-CE2 4.41Å; K732-F736 WeakPolarHBondContact O-CD2 3.31Å; K732-F736 PolarHBondContact O-N 3.18Å; K732-F736 VanDerWaalsContact O-N 3.08Å; L733-F736 CarbonylContact O-C 3.34Å; L733-F736 WeakPolarHBondContact O-CA 3.35Å; L733-F736 WeakPolarHBondContact O-CB 3.5Å; L733-F736 PolarHBondContact O-N 3.46Å; F736-F738 PolarHBondContact O-N 2.83Å; F736-Q739 PolarHBondContact O-N 3.08Å; F736-Y740 HydrophobicContact CB-CD2 4.29Å; F736-Y740 HydrophobicContact CB-CE2 4.1Å; F736-Y740 HydrophobicContact CD1-CD2 4.39Å; F736-Y740 AromaticContact CD1-CE2 3.53Å; F736-Y740 HydrophobicContact CD1-CE2 3.53Å; F736-Y740 HydrophobicContact CE1-CE2 4.26Å; F736-Y740 HydrophobicContact CG-CE2 4.09Å; F736-Y740 WeakPolarHBondContact O-CD2 3.48Å
737	A	36.3	Very low	41.8	Very low	15 Å²	15	96.8 Å²	96.8	12%	0.124	47%	0.469	C	S	.	.	H	α-helix	trans	-55.2	-26.3	178.5	0	0	0	0	0	114.3	L553 Q555 L733 D734	L553-A737 HydrophobicContact CB-CB 4.26Å; L553-A737 HydrophobicContact CD2-CB 4.05Å; Q555-A737 PolarHBondContact NE2-O 3.36Å; Q555-A737 VanDerWaalsContact NE2-O 3.08Å; L733-A737 WeakPolarHBondContact O-CB 3.46Å; L733-A737 PolarHBondContact O-N 3.46Å; D734-A737 WeakPolarHBondContact O-CB 3.44Å; D734-A737 PolarHBondContact O-N 3.3Å
738	F	36.6	Very low	43.4	Very low	136 Å²	136	94.3 Å²	94.3	60%	0.596	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-18.2	177	-163.1	-103.1	0	0	0	114.5	D734 F736	D734-F738 PolarHBondContact O-N 3.32Å; F736-F738 PolarHBondContact O-N 2.83Å
739	Q	43.1	Very low	45.2	Very low	70 Å²	70	94.6 Å²	94.6	33%	0.327	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-27.7	-174	-69.9	-171.6	-96.4	0	0	114.7	H735 F736	H735-Q739 PolarHBondContact ND1-OE1 3.33Å; F736-Q739 PolarHBondContact O-N 3.08Å
740	Y	49.4	Very low	46.9	Very low	43 Å²	43	94.8 Å²	94.8	17%	0.169	45%	0.45	C	S	.	.	S	Bend	trans	-107.1	18.6	-168.2	-59.6	-78.9	0	0	0	115.2	L550 L553 F736 Y750	L550-Y740 HydrophobicContact CD2-CD1 3.38Å; L550-Y740 HydrophobicContact CD2-CE1 4.09Å; L550-Y740 HydrophobicContact CD2-CG 3.76Å; L553-Y740 HydrophobicContact CD1-CD2 4.18Å; L553-Y740 HydrophobicContact CD1-CG 4.41Å; F736-Y740 HydrophobicContact CB-CD2 4.29Å; F736-Y740 HydrophobicContact CB-CE2 4.1Å; F736-Y740 HydrophobicContact CD1-CD2 4.39Å; F736-Y740 AromaticContact CD1-CE2 3.53Å; F736-Y740 HydrophobicContact CD1-CE2 3.53Å; F736-Y740 HydrophobicContact CE1-CE2 4.26Å; F736-Y740 HydrophobicContact CG-CE2 4.09Å; F736-Y740 WeakPolarHBondContact O-CD2 3.48Å; Y740-Y750 HydrophobicContact CD1-CD1 4.18Å; Y740-Y750 AromaticContact CD1-CD2 3.34Å; Y740-Y750 HydrophobicContact CD1-CD2 3.34Å; Y740-Y750 AromaticContact CD1-CE2 3.81Å; Y740-Y750 HydrophobicContact CD1-CE2 3.81Å; Y740-Y750 AromaticContact CD1-CG 3.54Å; Y740-Y750 HydrophobicContact CD1-CG 3.54Å; Y740-Y750 AromaticContact CE1-CD1 3.54Å; Y740-Y750 HydrophobicContact CE1-CD1 3.54Å; Y740-Y750 AromaticContact CE1-CD2 3.45Å; Y740-Y750 HydrophobicContact CE1-CD2 3.45Å; Y740-Y750 VanDerWaalsContact CE1-CD2 3.45Å; Y740-Y750 AromaticContact CE1-CE1 3.71Å; Y740-Y750 HydrophobicContact CE1-CE1 3.71Å; Y740-Y750 AromaticContact CE1-CE2 3.61Å; Y740-Y750 HydrophobicContact CE1-CE2 3.61Å; Y740-Y750 AromaticContact CE1-CG 3.4Å; Y740-Y750 HydrophobicContact CE1-CG 3.4Å; Y740-Y750 VanDerWaalsContact CE1-CG 3.4Å; Y740-Y750 AromaticContact CE1-CZ 3.73Å; Y740-Y750 HydrophobicContact CG-CD2 4.46Å
741	S	51.1	Low	48.4	Very low	20 Å²	20	84.8 Å²	84.8	14%	0.14	41%	0.406	C	S	.	.			trans	-72.1	140.4	177	177	0	0	0	0	111.9	H743 R744	S741-H743 PolarHBondContact O-N 2.84Å; S741-R744 PolarHBondContact O-N 3.42Å
742	P	55.3	Low	50.3	Low	33 Å²	33	76.9 Å²	76.9	21%	0.214	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13	-179.9	25.9	-35.4	0	0	0	114.8	R744 W747 W1009	P742-R744 PolarHBondContact O-N 2.86Å; P742-W747 HydrophobicContact CB-CD2 4.34Å; P742-W747 HydrophobicContact CB-CG 4.27Å; P742-W1009 HydrophobicContact CG-CH2 4.17Å; P742-W1009 HydrophobicContact CG-CZ3 4.08Å
743	H	53	Low	52	Low	137 Å²	137	74.8 Å²	74.8	63%	0.634	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	13.8	175	-53.7	-72.9	0	0	0	113.9	S741	S741-H743 PolarHBondContact O-N 2.84Å
744	R	50	Low	53.9	Low	122 Å²	122	69.8 Å²	69.8	46%	0.46	35%	0.346	S	S	.	.	S	Bend	trans	-114.9	142.1	175.9	-74.6	-72.2	-179.8	124.9	-1.5	111.2	S741 P742 D746 W747	S741-R744 PolarHBondContact O-N 3.42Å; P742-R744 PolarHBondContact O-N 2.86Å; R744-D746 PolarHBondContact O-N 3.4Å; R744-D746 VanDerWaalsContact O-N 3.16Å; R744-W747 VanDerWaalsContact O-CB 3.3Å; R744-W747 WeakPolarHBondContact O-CB 3.38Å; R744-W747 PolarHBondContact O-N 3.17Å; R744-W747 VanDerWaalsContact O-N 3.12Å
745	S	54.9	Low	56	Low	101 Å²	101	64.3 Å²	64.3	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-43.7	170.1	37.7	0	0	0	0	112.7	W747	S745-W747 PolarHBondContact O-N 2.99Å
746	D	61.7	Low	57.9	Low	67 Å²	67	58.1 Å²	58.1	36%	0.358	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.9	-169.4	-41.8	-6.3	0	0	0	112	R744 Y748 D749 Y750	R744-D746 PolarHBondContact O-N 3.4Å; R744-D746 VanDerWaalsContact O-N 3.16Å; D746-Y748 PolarHBondContact O-N 2.95Å; D746-D749 PolarHBondContact O-N 2.84Å; D746-Y750 HydrophobicContact CB-CD2 4.15Å; D746-Y750 HydrophobicContact CB-CE2 3.8Å; D746-Y750 WeakPolarHBondContact O-CD2 3.27Å; D746-Y750 PolarHBondContact O-N 2.8Å
747	W	62.3	Low	59.8	Low	17 Å²	17	54.2 Å²	54.2	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-36.6	177.3	177	89.2	0	0	0	112.2	P742 R744 S745 Y750 L751 W1005 I1006	P742-W747 HydrophobicContact CB-CD2 4.34Å; P742-W747 HydrophobicContact CB-CG 4.27Å; R744-W747 VanDerWaalsContact O-CB 3.3Å; R744-W747 WeakPolarHBondContact O-CB 3.38Å; R744-W747 PolarHBondContact O-N 3.17Å; R744-W747 VanDerWaalsContact O-N 3.12Å; S745-W747 PolarHBondContact O-N 2.99Å; W747-Y750 PolarHBondContact O-N 2.95Å; W747-L751 HydrophobicContact CH2-CD2 3.46Å; W747-L751 VanDerWaalsContact CH2-CD2 3.46Å; W747-L751 HydrophobicContact CZ2-CD2 3.99Å; W747-L751 HydrophobicContact CZ3-CD2 3.86Å; W747-L751 WeakPolarHBondContact O-CB 3.33Å; W747-L751 PolarHBondContact O-N 2.77Å; W747-W1005 HydrophobicContact CZ2-CE3 4.46Å; W747-W1005 HydrophobicContact CZ2-CZ3 4.48Å; W747-I1006 HydrophobicContact CH2-CD1 4.16Å; W747-I1006 HydrophobicContact CH2-CG1 3.38Å; W747-I1006 HydrophobicContact CZ2-CG1 4.27Å; W747-I1006 HydrophobicContact CZ3-CD1 4.01Å; W747-I1006 HydrophobicContact CZ3-CG1 3.76Å
748	Y	64.8	Low	61.8	Low	93 Å²	93	55.8 Å²	55.8	37%	0.365	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-45.2	178.4	-179.2	-108.6	0	0	0	111.8	D746 Y750 L751 L752 P1002	D746-Y748 PolarHBondContact O-N 2.95Å; Y748-Y750 VanDerWaalsContact C-N 3.28Å; Y748-Y750 PolarHBondContact O-N 2.81Å; Y748-L751 PolarHBondContact O-N 2.95Å; Y748-L752 HydrophobicContact CD1-CD1 3.92Å; Y748-L752 HydrophobicContact CE1-CD1 3.43Å; Y748-L752 VanDerWaalsContact CE1-CD1 3.43Å; Y748-L752 HydrophobicContact CE1-CG 4.21Å; Y748-L752 HydrophobicContact CE2-CD1 4.41Å; Y748-L752 HydrophobicContact CE2-CG 4.36Å; Y748-L752 WeakPolarHBondContact O-CB 3.39Å; Y748-L752 WeakPolarHBondContact O-CG 3.37Å; Y748-L752 PolarHBondContact O-N 2.81Å; Y748-P1002 HydrophobicContact CD2-CB 4.49Å; Y748-P1002 HydrophobicContact CE2-CB 4.02Å; Y748-P1002 HydrophobicContact CE2-CG 3.87Å
749	D	67.5	Low	63.7	Low	102 Å²	102	49.5 Å²	49.5	55%	0.545	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-36.5	175	-75.1	-31.6	0	0	0	111.7	D746 S753	D746-D749 PolarHBondContact O-N 2.84Å; D749-S753 WeakPolarHBondContact O-CB 3.37Å; D749-S753 PolarHBondContact O-N 3.03Å
750	Y	65.1	Low	65.5	Low	59 Å²	59	46.1 Å²	46.1	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-74.2	-38.4	177	-65.8	-45.6	0	0	0	113.6	Y740 D746 W747 Y748 S753 T754	Y740-Y750 HydrophobicContact CD1-CD1 4.18Å; Y740-Y750 AromaticContact CD1-CD2 3.34Å; Y740-Y750 HydrophobicContact CD1-CD2 3.34Å; Y740-Y750 AromaticContact CD1-CE2 3.81Å; Y740-Y750 HydrophobicContact CD1-CE2 3.81Å; Y740-Y750 AromaticContact CD1-CG 3.54Å; Y740-Y750 HydrophobicContact CD1-CG 3.54Å; Y740-Y750 AromaticContact CE1-CD1 3.54Å; Y740-Y750 HydrophobicContact CE1-CD1 3.54Å; Y740-Y750 AromaticContact CE1-CD2 3.45Å; Y740-Y750 HydrophobicContact CE1-CD2 3.45Å; Y740-Y750 VanDerWaalsContact CE1-CD2 3.45Å; Y740-Y750 AromaticContact CE1-CE1 3.71Å; Y740-Y750 HydrophobicContact CE1-CE1 3.71Å; Y740-Y750 AromaticContact CE1-CE2 3.61Å; Y740-Y750 HydrophobicContact CE1-CE2 3.61Å; Y740-Y750 AromaticContact CE1-CG 3.4Å; Y740-Y750 HydrophobicContact CE1-CG 3.4Å; Y740-Y750 VanDerWaalsContact CE1-CG 3.4Å; Y740-Y750 AromaticContact CE1-CZ 3.73Å; Y740-Y750 HydrophobicContact CG-CD2 4.46Å; D746-Y750 HydrophobicContact CB-CD2 4.15Å; D746-Y750 HydrophobicContact CB-CE2 3.8Å; D746-Y750 WeakPolarHBondContact O-CD2 3.27Å; D746-Y750 PolarHBondContact O-N 2.8Å; W747-Y750 PolarHBondContact O-N 2.95Å; Y748-Y750 VanDerWaalsContact C-N 3.28Å; Y748-Y750 PolarHBondContact O-N 2.81Å; Y750-S753 WeakPolarHBondContact CA-OG 3.47Å; Y750-S753 WeakPolarHBondContact O-CB 3.41Å; Y750-S753 PolarHBondContact O-N 3.12Å; Y750-S753 VanDerWaalsContact O-N 3.13Å; Y750-S753 PolarHBondContact O-OG 3.36Å; Y750-T754 PolarHBondContact O-N 2.74Å
751	L	67.2	Low	67.2	Low	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-47.7	169.9	174.9	59	0	0	0	110.3	W747 Y748 S753 T754 L757 W1005	W747-L751 HydrophobicContact CH2-CD2 3.46Å; W747-L751 VanDerWaalsContact CH2-CD2 3.46Å; W747-L751 HydrophobicContact CZ2-CD2 3.99Å; W747-L751 HydrophobicContact CZ3-CD2 3.86Å; W747-L751 WeakPolarHBondContact O-CB 3.33Å; W747-L751 PolarHBondContact O-N 2.77Å; Y748-L751 PolarHBondContact O-N 2.95Å; L751-S753 PolarHBondContact O-N 2.65Å; L751-T754 WeakPolarHBondContact O-CB 3.45Å; L751-T754 PolarHBondContact O-N 3.28Å; L751-T754 PolarHBondContact O-OG1 2.89Å; L751-L757 HydrophobicContact CD2-CD1 3.87Å; L751-L757 HydrophobicContact CD2-CG 4.46Å; L751-L757 HydrophobicContact CG-CD1 4.1Å; L751-L757 HydrophobicContact CG-CG 4.42Å; L751-W1005 HydrophobicContact CD1-CD2 4.32Å; L751-W1005 HydrophobicContact CD1-CE3 3.59Å; L751-W1005 HydrophobicContact CD1-CH2 4.28Å; L751-W1005 HydrophobicContact CD1-CZ3 3.54Å; L751-W1005 HydrophobicContact CD2-CE3 3.8Å; L751-W1005 HydrophobicContact CD2-CZ3 4.41Å; L751-W1005 HydrophobicContact CG-CE3 4.38Å
752	L	70.6	Confident	68.6	Low	30 Å²	30	46.1 Å²	46.1	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-34.3	173.6	-76.3	-177.8	0	0	0	112.1	R455 Y748 T754 N755	R455-L752 PolarHBondContact NH2-O 2.98Å; Y748-L752 HydrophobicContact CD1-CD1 3.92Å; Y748-L752 HydrophobicContact CE1-CD1 3.43Å; Y748-L752 VanDerWaalsContact CE1-CD1 3.43Å; Y748-L752 HydrophobicContact CE1-CG 4.21Å; Y748-L752 HydrophobicContact CE2-CD1 4.41Å; Y748-L752 HydrophobicContact CE2-CG 4.36Å; Y748-L752 WeakPolarHBondContact O-CB 3.39Å; Y748-L752 WeakPolarHBondContact O-CG 3.37Å; Y748-L752 PolarHBondContact O-N 2.81Å; L752-T754 PolarHBondContact O-N 3.41Å; L752-N755 PolarHBondContact O-N 2.88Å; L752-N755 VanDerWaalsContact O-N 3.15Å; L752-N755 PolarHBondContact O-OD1 2.84Å
753	S	68.6	Low	70	Confident	62 Å²	62	44.9 Å²	44.9	43%	0.434	23%	0.226	S	C	.	.	H	α-helix	trans	-68.6	-13.9	176.9	81.1	0	0	0	0	115.1	D749 Y750 L751 N755	D749-S753 WeakPolarHBondContact O-CB 3.37Å; D749-S753 PolarHBondContact O-N 3.03Å; Y750-S753 WeakPolarHBondContact CA-OG 3.47Å; Y750-S753 WeakPolarHBondContact O-CB 3.41Å; Y750-S753 PolarHBondContact O-N 3.12Å; Y750-S753 VanDerWaalsContact O-N 3.13Å; Y750-S753 PolarHBondContact O-OG 3.36Å; L751-S753 PolarHBondContact O-N 2.65Å; S753-N755 VanDerWaalsContact C-N 3.3Å
754	T	70.3	Confident	71.6	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.6	172.1	70.6	0	0	0	0	113.3	S543 Q546 L547 L550 Y750 L751 L752 W756	S543-T754 WeakPolarHBondContact CB-O 3.41Å; S543-T754 PolarHBondContact OG-O 3.04Å; Q546-T754 HydrophobicContact CB-CG2 4.2Å; Q546-T754 PolarHBondContact OE1-O 3.31Å; L547-T754 HydrophobicContact CB-CG2 4.13Å; L550-T754 HydrophobicContact CD1-CG2 3.56Å; L550-T754 HydrophobicContact CG-CG2 4.42Å; Y750-T754 PolarHBondContact O-N 2.74Å; L751-T754 WeakPolarHBondContact O-CB 3.45Å; L751-T754 PolarHBondContact O-N 3.28Å; L751-T754 PolarHBondContact O-OG1 2.89Å; L752-T754 PolarHBondContact O-N 3.41Å; T754-W756 PolarHBondContact O-N 3.45Å; T754-W756 WeakPolarHBondContact OG1-CB 3.46Å; T754-W756 PolarHBondContact OG1-N 3.13Å; T754-W756 VanDerWaalsContact OG1-N 3.16Å
755	N	75.1	Confident	73.3	Confident	17 Å²	17	37.4 Å²	37.4	9%	0.091	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	17	-168.3	-64.4	7.4	0	0	0	114.9	L451 F452 L752 S753 D758 L759	L451-N755 PolarHBondContact O-ND2 3.16Å; F452-N755 HydrophobicContact CD1-CB 3.86Å; F452-N755 WeakPolarHBondContact CD1-ND2 3.27Å; F452-N755 HydrophobicContact CE1-CB 3.52Å; L752-N755 PolarHBondContact O-N 2.88Å; L752-N755 VanDerWaalsContact O-N 3.15Å; L752-N755 PolarHBondContact O-OD1 2.84Å; S753-N755 VanDerWaalsContact C-N 3.3Å; N755-D758 HydrophobicContact CB-CB 4.37Å; N755-D758 PolarHBondContact O-N 2.7Å; N755-L759 PolarHBondContact O-N 2.94Å
756	W	76.6	Confident	74.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-40.7	179.8	-176.5	-99.9	0	0	0	112.5	I540 W544 L547 T754 D758 L759 L760 V858 L862 D865 W1005	I540-W756 HydrophobicContact CG2-CZ3 4.36Å; W544-W756 HydrophobicContact CB-CE3 4.4Å; W544-W756 HydrophobicContact CB-CH2 4.42Å; W544-W756 HydrophobicContact CB-CZ3 3.81Å; W544-W756 HydrophobicContact CD2-CH2 4.21Å; W544-W756 HydrophobicContact CD2-CZ3 4.42Å; W544-W756 HydrophobicContact CE3-CE3 4.33Å; W544-W756 AromaticContact CE3-CH2 3.34Å; W544-W756 HydrophobicContact CE3-CH2 3.34Å; W544-W756 AromaticContact CE3-CZ2 3.6Å; W544-W756 HydrophobicContact CE3-CZ2 3.6Å; W544-W756 AromaticContact CE3-CZ3 3.77Å; W544-W756 HydrophobicContact CE3-CZ3 3.77Å; W544-W756 AromaticContact CZ3-CH2 3.9Å; W544-W756 HydrophobicContact CZ3-CH2 3.9Å; W544-W756 AromaticContact CZ3-CZ2 3.74Å; W544-W756 HydrophobicContact CZ3-CZ2 3.74Å; L547-W756 HydrophobicContact CD1-CB 3.4Å; L547-W756 HydrophobicContact CD1-CD2 3.71Å; L547-W756 HydrophobicContact CD1-CE3 4.38Å; L547-W756 HydrophobicContact CD1-CG 3.25Å; T754-W756 PolarHBondContact O-N 3.45Å; T754-W756 WeakPolarHBondContact OG1-CB 3.46Å; T754-W756 PolarHBondContact OG1-N 3.13Å; T754-W756 VanDerWaalsContact OG1-N 3.16Å; W756-D758 VanDerWaalsContact C-N 3.3Å; W756-D758 PolarHBondContact O-N 3.02Å; W756-L759 HydrophobicContact CE3-CD1 4.38Å; W756-L759 WeakPolarHBondContact O-CB 3.44Å; W756-L759 PolarHBondContact O-N 3.39Å; W756-L760 WeakPolarHBondContact O-CB 3.43Å; W756-L760 PolarHBondContact O-N 3.15Å; W756-V858 HydrophobicContact CH2-CG1 3.96Å; W756-V858 HydrophobicContact CZ3-CG1 3.97Å; W756-L862 HydrophobicContact CD2-CD1 4.43Å; W756-L862 HydrophobicContact CH2-CB 3.64Å; W756-L862 HydrophobicContact CH2-CD1 3.93Å; W756-L862 HydrophobicContact CH2-CD2 4.37Å; W756-L862 HydrophobicContact CH2-CG 4.18Å; W756-L862 HydrophobicContact CZ2-CB 3.91Å; W756-L862 HydrophobicContact CZ2-CD1 3.64Å; W756-L862 HydrophobicContact CZ2-CG 4.3Å; W756-L862 HydrophobicContact CZ3-CB 4.48Å; W756-L862 HydrophobicContact CZ3-CD1 4.41Å; W756-L862 HydrophobicContact CZ3-CD2 4.46Å; W756-D865 PolarHBondContact NE1-OD2 2.82Å; W756-W1005 AromaticContact CD1-NE1 3.66Å; W756-W1005 AromaticContact NE1-NE1 3.61Å
757	L	76.6	Confident	75.9	Confident	12 Å²	12	30.1 Å²	30.1	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-35.7	174.3	-61.4	-176.7	0	0	0	111.9	L751 L760 L761 P1002 W1005	L751-L757 HydrophobicContact CD2-CD1 3.87Å; L751-L757 HydrophobicContact CD2-CG 4.46Å; L751-L757 HydrophobicContact CG-CD1 4.1Å; L751-L757 HydrophobicContact CG-CG 4.42Å; L757-L760 PolarHBondContact O-N 3.1Å; L757-L761 VanDerWaalsContact O-CB 3.32Å; L757-L761 WeakPolarHBondContact O-CB 3.35Å; L757-L761 PolarHBondContact O-N 2.69Å; L757-P1002 HydrophobicContact CD1-CB 4.23Å; L757-P1002 HydrophobicContact CD1-CG 3.76Å; L757-W1005 HydrophobicContact CD2-CB 4.11Å; L757-W1005 HydrophobicContact CD2-CG 3.92Å
758	D	76.9	Confident	77.1	Confident	49 Å²	49	29.8 Å²	29.8	26%	0.262	15%	0.147	S	C	.	.	H	α-helix	trans	-67.1	-40.7	176	-58	-49.3	0	0	0	111	R455 N755 W756 F762	R455-D758 IonicContact NH2-OD2 3.93Å; N755-D758 HydrophobicContact CB-CB 4.37Å; N755-D758 PolarHBondContact O-N 2.7Å; W756-D758 VanDerWaalsContact C-N 3.3Å; W756-D758 PolarHBondContact O-N 3.02Å; D758-F762 WeakPolarHBondContact O-CB 3.11Å; D758-F762 PolarHBondContact O-N 3.08Å
759	L	77.5	Confident	78.1	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-45.5	171.2	-82	173.1	0	0	0	112.6	F452 P535 I540 S543 N755 W756 F762 I763	F452-L759 HydrophobicContact CE1-CD1 4.42Å; F452-L759 HydrophobicContact CE1-CD2 4.46Å; F452-L759 HydrophobicContact CE1-CG 4.18Å; F452-L759 HydrophobicContact CE2-CD2 4.43Å; F452-L759 HydrophobicContact CZ-CD1 4.35Å; F452-L759 HydrophobicContact CZ-CD2 3.62Å; F452-L759 HydrophobicContact CZ-CG 3.79Å; P535-L759 HydrophobicContact CB-CD2 3.31Å; P535-L759 HydrophobicContact CG-CD2 4.1Å; I540-L759 HydrophobicContact CG1-CD1 4.37Å; I540-L759 HydrophobicContact CG1-CD2 4.31Å; S543-L759 WeakPolarHBondContact OG-CD1 3.4Å; N755-L759 PolarHBondContact O-N 2.94Å; W756-L759 HydrophobicContact CE3-CD1 4.38Å; W756-L759 WeakPolarHBondContact O-CB 3.44Å; W756-L759 PolarHBondContact O-N 3.39Å; L759-F762 WeakPolarHBondContact O-CB 3.33Å; L759-F762 PolarHBondContact O-N 3.19Å; L759-I763 WeakPolarHBondContact O-CG1 3.45Å; L759-I763 PolarHBondContact O-N 3.12Å
760	L	81.9	Confident	78.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-52.6	-179.6	-174.1	158.9	0	0	0	110.8	W756 L757 F762 I763 L764 L862 D865 Q869 Y1001	W756-L760 WeakPolarHBondContact O-CB 3.43Å; W756-L760 PolarHBondContact O-N 3.15Å; L757-L760 PolarHBondContact O-N 3.1Å; L760-F762 VanDerWaalsContact C-N 3.27Å; L760-F762 PolarHBondContact O-N 3.4Å; L760-I763 PolarHBondContact O-N 3.46Å; L760-L764 HydrophobicContact CD2-CD1 3.6Å; L760-L764 HydrophobicContact CD2-CG 4.31Å; L760-L764 PolarHBondContact O-N 2.92Å; L760-L862 HydrophobicContact CB-CD1 4.34Å; L760-D865 HydrophobicContact CD1-CB 4.14Å; L760-D865 VanDerWaalsContact CD1-CG 3.42Å; L760-D865 WeakPolarHBondContact CD1-OD1 3.33Å; L760-Q869 HydrophobicContact CD1-CG 3.87Å; L760-Q869 HydrophobicContact CD2-CG 3.96Å; L760-Q869 HydrophobicContact CG-CG 4.49Å; L760-Y1001 HydrophobicContact CD2-CD1 3.56Å; L760-Y1001 HydrophobicContact CD2-CE1 3.5Å; L760-Y1001 VanDerWaalsContact CD2-CE1 3.5Å; L760-Y1001 HydrophobicContact CD2-CG 4.21Å
761	L	83.5	Confident	79.9	Confident	31 Å²	31	21.5 Å²	21.5	16%	0.162	11%	0.111	C	C	.	.	H	α-helix	trans	-58.1	-41.9	176.5	174.3	61.6	0	0	0	111.1	L757 K765 L996 P998 Y1001	L757-L761 VanDerWaalsContact O-CB 3.32Å; L757-L761 WeakPolarHBondContact O-CB 3.35Å; L757-L761 PolarHBondContact O-N 2.69Å; L761-K765 WeakPolarHBondContact O-CB 3.48Å; L761-K765 PolarHBondContact O-N 3.32Å; L761-L996 HydrophobicContact CD1-CB 3.88Å; L761-L996 HydrophobicContact CD1-CD2 4.22Å; L761-P998 HydrophobicContact CD2-CB 4.5Å; L761-P998 HydrophobicContact CD2-CG 3.73Å; L761-Y1001 HydrophobicContact CD1-CE2 3.95Å
762	F	81.7	Confident	80.8	Confident	31 Å²	31	26.5 Å²	26.5	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-48.3	176.3	176.7	-83.6	0	0	0	112	L533 P535 D758 L759 L760 K765 Q766	L533-F762 HydrophobicContact CB-CE2 3.81Å; L533-F762 HydrophobicContact CB-CZ 3.52Å; L533-F762 HydrophobicContact CD1-CE2 4.4Å; L533-F762 WeakPolarHBondContact O-CE1 3.43Å; L533-F762 WeakPolarHBondContact O-CZ 3.4Å; P535-F762 HydrophobicContact CG-CD1 4.26Å; P535-F762 HydrophobicContact CG-CE1 4.45Å; D758-F762 WeakPolarHBondContact O-CB 3.11Å; D758-F762 PolarHBondContact O-N 3.08Å; L759-F762 WeakPolarHBondContact O-CB 3.33Å; L759-F762 PolarHBondContact O-N 3.19Å; L760-F762 VanDerWaalsContact C-N 3.27Å; L760-F762 PolarHBondContact O-N 3.4Å; F762-K765 WeakPolarHBondContact O-CB 3.21Å; F762-K765 PolarHBondContact O-N 2.99Å; F762-Q766 HydrophobicContact CD1-CG 4.31Å; F762-Q766 HydrophobicContact CE1-CG 3.4Å; F762-Q766 VanDerWaalsContact CE1-CG 3.4Å; F762-Q766 HydrophobicContact CE2-CG 4.26Å; F762-Q766 HydrophobicContact CZ-CG 3.34Å; F762-Q766 PolarHBondContact O-N 3.03Å
763	I	83.6	Confident	81.3	Confident	8 Å²	8	26.5 Å²	26.5	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-43.8	-179	-71.8	178	0	0	0	111.4	P535 L759 L760 K765 Q766 A767 I804 L808 L862	P535-I763 HydrophobicContact CG-CD1 3.99Å; P535-I763 HydrophobicContact CG-CG1 3.97Å; L759-I763 WeakPolarHBondContact O-CG1 3.45Å; L759-I763 PolarHBondContact O-N 3.12Å; L760-I763 PolarHBondContact O-N 3.46Å; I763-K765 VanDerWaalsContact C-N 3.25Å; I763-K765 PolarHBondContact O-N 2.7Å; I763-Q766 PolarHBondContact O-N 3.07Å; I763-A767 WeakPolarHBondContact O-CB 3.11Å; I763-A767 PolarHBondContact O-N 3.35Å; I763-I804 HydrophobicContact CD1-CD1 4.24Å; I763-I804 HydrophobicContact CD1-CG2 4.25Å; I763-I804 HydrophobicContact CG2-CG2 3.79Å; I763-L808 HydrophobicContact CG2-CD1 3.64Å; I763-L862 HydrophobicContact CD1-CD2 3.48Å; I763-L862 VanDerWaalsContact CD1-CD2 3.48Å; I763-L862 HydrophobicContact CD1-CG 3.96Å
764	L	86.8	Confident	82.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-34.2	175.2	-72	178.4	0	0	0	111.9	L760 A767 T768 L808 C866 Q869 L870 L996 Y1001	L760-L764 HydrophobicContact CD2-CD1 3.6Å; L760-L764 HydrophobicContact CD2-CG 4.31Å; L760-L764 PolarHBondContact O-N 2.92Å; L764-A767 PolarHBondContact O-N 2.76Å; L764-T768 WeakPolarHBondContact O-CB 3.45Å; L764-T768 WeakPolarHBondContact O-CG2 3.35Å; L764-T768 PolarHBondContact O-N 3.43Å; L764-T768 PolarHBondContact O-OG1 2.84Å; L764-L808 HydrophobicContact CD2-CD1 4.3Å; L764-L808 HydrophobicContact CD2-CD2 4.43Å; L764-C866 HydrophobicContact CD2-CB 4.04Å; L764-C866 HydrophobicContact CG-CB 4.47Å; L764-Q869 HydrophobicContact CD1-CB 4.47Å; L764-L870 HydrophobicContact CD2-CG 4.38Å; L764-L996 HydrophobicContact CB-CD2 3.73Å; L764-Y1001 HydrophobicContact CD1-CE1 3.76Å; L764-Y1001 WeakPolarHBondContact CD1-OH 3.49Å
765	K	85.9	Confident	82.6	Confident	101 Å²	101	25.3 Å²	25.3	44%	0.439	12%	0.123	S	C	.	.	H	α-helix	trans	-65.6	-43.5	173.1	-174	171	-177.9	174.7	0	112.4	L761 F762 I763 T768 Q769 L996	L761-K765 WeakPolarHBondContact O-CB 3.48Å; L761-K765 PolarHBondContact O-N 3.32Å; F762-K765 WeakPolarHBondContact O-CB 3.21Å; F762-K765 PolarHBondContact O-N 2.99Å; I763-K765 VanDerWaalsContact C-N 3.25Å; I763-K765 PolarHBondContact O-N 2.7Å; K765-T768 WeakPolarHBondContact CA-OG1 3.47Å; K765-T768 PolarHBondContact O-OG1 3.5Å; K765-Q769 VanDerWaalsContact O-CG 3.27Å; K765-Q769 WeakPolarHBondContact O-CG 3.14Å; K765-Q769 PolarHBondContact O-N 3.26Å; K765-Q769 VanDerWaalsContact O-N 3.12Å; K765-Q769 PolarHBondContact O-OE1 3.21Å; K765-L996 HydrophobicContact CB-CD1 4.07Å; K765-L996 HydrophobicContact CB-CD2 4.43Å; K765-L996 HydrophobicContact CG-CD1 4.12Å
766	Q	84	Confident	82.8	Confident	16 Å²	16	29.9 Å²	29.9	8%	0.075	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-43.9	173.7	-62.5	-56.3	-90.1	0	0	111.6	W532 L533 F762 I763 T768 Q769 L770 L805	W532-Q766 HydrophobicContact CZ3-CB 4.4Å; W532-Q766 WeakPolarHBondContact CZ3-O 2.98Å; L533-Q766 VanDerWaalsContact N-OE1 3.15Å; L533-Q766 PolarHBondContact O-OE1 2.64Å; F762-Q766 HydrophobicContact CD1-CG 4.31Å; F762-Q766 HydrophobicContact CE1-CG 3.4Å; F762-Q766 VanDerWaalsContact CE1-CG 3.4Å; F762-Q766 HydrophobicContact CE2-CG 4.26Å; F762-Q766 HydrophobicContact CZ-CG 3.34Å; F762-Q766 PolarHBondContact O-N 3.03Å; I763-Q766 PolarHBondContact O-N 3.07Å; Q766-T768 VanDerWaalsContact C-N 3.35Å; Q766-T768 PolarHBondContact O-N 3.24Å; Q766-Q769 PolarHBondContact O-N 2.76Å; Q766-L770 WeakPolarHBondContact O-CB 3.41Å; Q766-L770 PolarHBondContact O-N 2.78Å; Q766-L805 HydrophobicContact CB-CD1 3.67Å
767	A	88	Confident	82.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-39.3	-179.3	0	0	0	0	0	112.7	I763 L764 L770 S771 L805 L808 V809 I812	I763-A767 WeakPolarHBondContact O-CB 3.11Å; I763-A767 PolarHBondContact O-N 3.35Å; L764-A767 PolarHBondContact O-N 2.76Å; A767-L770 PolarHBondContact O-N 3.45Å; A767-S771 PolarHBondContact O-N 3.03Å; A767-S771 PolarHBondContact O-OG 2.91Å; A767-L805 HydrophobicContact CB-CD1 4.16Å; A767-L808 HydrophobicContact CB-CB 3.83Å; A767-L808 HydrophobicContact CB-CD1 4.49Å; A767-V809 HydrophobicContact CB-CG2 4.16Å; A767-V809 WeakPolarHBondContact O-CG2 3.43Å; A767-I812 HydrophobicContact CB-CD1 4Å
768	T	86.9	Confident	82.6	Confident	10 Å²	10	31.1 Å²	31.1	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-40.5	176.3	42.7	0	0	0	0	113.6	L764 K765 Q766 L770 S771 Q772 I812 P994	L764-T768 WeakPolarHBondContact O-CB 3.45Å; L764-T768 WeakPolarHBondContact O-CG2 3.35Å; L764-T768 PolarHBondContact O-N 3.43Å; L764-T768 PolarHBondContact O-OG1 2.84Å; K765-T768 WeakPolarHBondContact CA-OG1 3.47Å; K765-T768 PolarHBondContact O-OG1 3.5Å; Q766-T768 VanDerWaalsContact C-N 3.35Å; Q766-T768 PolarHBondContact O-N 3.24Å; T768-L770 PolarHBondContact O-N 3.08Å; T768-S771 PolarHBondContact O-OG 2.68Å; T768-Q772 WeakPolarHBondContact O-CB 3.37Å; T768-Q772 WeakPolarHBondContact O-CG 3.05Å; T768-Q772 PolarHBondContact O-N 3.39Å; T768-Q772 VanDerWaalsContact O-N 3.08Å; T768-I812 HydrophobicContact CG2-CD1 4.18Å; T768-P994 VanDerWaalsContact CG2-CD 3.47Å; T768-P994 HydrophobicContact CG2-CG 3.36Å
769	Q	84.6	Confident	82.4	Confident	74 Å²	74	33.4 Å²	33.4	35%	0.346	16%	0.16	S	C	.	.	H	α-helix	trans	-60	-35.7	172.7	-70.9	177.3	-63.3	0	0	110.9	W532 K765 Q766 Q772 L773	W532-Q769 HydrophobicContact CH2-CB 3.51Å; W532-Q769 HydrophobicContact CZ2-CB 4.16Å; W532-Q769 HydrophobicContact CZ3-CB 4.12Å; K765-Q769 VanDerWaalsContact O-CG 3.27Å; K765-Q769 WeakPolarHBondContact O-CG 3.14Å; K765-Q769 PolarHBondContact O-N 3.26Å; K765-Q769 VanDerWaalsContact O-N 3.12Å; K765-Q769 PolarHBondContact O-OE1 3.21Å; Q766-Q769 PolarHBondContact O-N 2.76Å; Q769-Q772 PolarHBondContact O-N 3.35Å; Q769-L773 PolarHBondContact O-N 2.92Å; Q769-L773 VanDerWaalsContact O-N 3.09Å
770	L	85.2	Confident	81.9	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-79.7	-39	-172.9	-149.5	166	0	0	0	110.9	W532 Q766 A767 T768 Q772 L773 I774 L792 L805 M806 V809	W532-L770 HydrophobicContact CH2-CB 3.65Å; W532-L770 HydrophobicContact CH2-CD1 4.46Å; W532-L770 HydrophobicContact CH2-CG 3.94Å; W532-L770 HydrophobicContact CZ3-CB 3.75Å; W532-L770 HydrophobicContact CZ3-CD1 4Å; W532-L770 HydrophobicContact CZ3-CG 3.98Å; Q766-L770 WeakPolarHBondContact O-CB 3.41Å; Q766-L770 PolarHBondContact O-N 2.78Å; A767-L770 PolarHBondContact O-N 3.45Å; T768-L770 PolarHBondContact O-N 3.08Å; L770-Q772 VanDerWaalsContact C-N 3.31Å; L770-Q772 PolarHBondContact O-N 3.22Å; L770-L773 PolarHBondContact O-N 3.15Å; L770-I774 HydrophobicContact CD2-CD1 3.35Å; L770-I774 HydrophobicContact CD2-CG1 3.98Å; L770-I774 WeakPolarHBondContact O-CD1 3.38Å; L770-I774 VanDerWaalsContact O-CG1 3.3Å; L770-I774 WeakPolarHBondContact O-CG1 3.37Å; L770-I774 PolarHBondContact O-N 3.3Å; L770-L792 HydrophobicContact CD1-CD1 4.09Å; L770-L792 HydrophobicContact CD1-CD2 3.96Å; L770-L792 HydrophobicContact CD2-CD1 4.41Å; L770-L805 HydrophobicContact CD1-CD1 4.31Å; L770-L805 HydrophobicContact CD1-CD2 3.82Å; L770-L805 HydrophobicContact CD1-CG 4.06Å; L770-M806 HydrophobicContact CD1-CE 4.17Å; L770-M806 HydrophobicContact CD2-CE 3.73Å; L770-V809 HydrophobicContact CB-CG2 3.84Å; L770-V809 HydrophobicContact CD2-CG1 4.41Å; L770-V809 HydrophobicContact CD2-CG2 4.3Å; L770-V809 HydrophobicContact CG-CG2 4.44Å
771	S	86.8	Confident	81	Confident	4 Å²	4	43 Å²	43	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-38.7	169.8	66.5	0	0	0	0	112.1	A767 T768 I774 N775 I812	A767-S771 PolarHBondContact O-N 3.03Å; A767-S771 PolarHBondContact O-OG 2.91Å; T768-S771 PolarHBondContact O-OG 2.68Å; S771-I774 PolarHBondContact O-N 3.11Å; S771-N775 WeakPolarHBondContact O-CB 3.25Å; S771-N775 PolarHBondContact O-N 2.91Å; S771-I812 VanDerWaalsContact OG-CG2 3.31Å; S771-I812 WeakPolarHBondContact OG-CG2 3.06Å
772	Q	84.7	Confident	80.1	Confident	107 Å²	107	45.4 Å²	45.4	50%	0.5	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-47.8	174.9	-74.3	169.4	-3.1	0	0	112.2	T768 Q769 L770 N775 Q776	T768-Q772 WeakPolarHBondContact O-CB 3.37Å; T768-Q772 WeakPolarHBondContact O-CG 3.05Å; T768-Q772 PolarHBondContact O-N 3.39Å; T768-Q772 VanDerWaalsContact O-N 3.08Å; Q769-Q772 PolarHBondContact O-N 3.35Å; L770-Q772 VanDerWaalsContact C-N 3.31Å; L770-Q772 PolarHBondContact O-N 3.22Å; Q772-N775 PolarHBondContact O-N 3.37Å; Q772-Q776 VanDerWaalsContact O-CG 3.32Å; Q772-Q776 WeakPolarHBondContact O-CG 3.26Å; Q772-Q776 PolarHBondContact O-N 3.29Å
773	L	82.7	Confident	78.9	Confident	29 Å²	29	50.6 Å²	50.6	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-44.8	175.6	-73.3	-171.5	0	0	0	112.6	I440 W532 Q769 L770 N775 Q776 Y777	I440-L773 HydrophobicContact CD1-CD1 4.25Å; W532-L773 HydrophobicContact CH2-CD1 4.43Å; W532-L773 HydrophobicContact CZ2-CD1 3.59Å; W532-L773 HydrophobicContact CZ2-CG 4.4Å; Q769-L773 PolarHBondContact O-N 2.92Å; Q769-L773 VanDerWaalsContact O-N 3.09Å; L770-L773 PolarHBondContact O-N 3.15Å; L773-N775 VanDerWaalsContact C-N 3.33Å; L773-N775 PolarHBondContact O-N 2.71Å; L773-Q776 PolarHBondContact O-N 3.43Å; L773-Y777 WeakPolarHBondContact O-CD2 3.34Å; L773-Y777 PolarHBondContact O-N 3.08Å
774	I	83.7	Confident	77.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-44	178.1	-68.4	160	0	0	0	110.8	F353 Y355 V403 I405 L770 S771 Y777 S778 I790 V809 L813	F353-I774 HydrophobicContact CZ-CD1 3.94Å; Y355-I774 HydrophobicContact CD1-CG2 3.6Å; Y355-I774 HydrophobicContact CE1-CG2 4.39Å; Y355-I774 HydrophobicContact CG-CG2 3.78Å; V403-I774 HydrophobicContact CB-CG2 4.21Å; V403-I774 HydrophobicContact CG1-CG2 4.25Å; V403-I774 HydrophobicContact CG2-CG2 4.46Å; I405-I774 HydrophobicContact CD1-CD1 3.38Å; I405-I774 HydrophobicContact CD1-CG1 3.81Å; I405-I774 HydrophobicContact CD1-CG2 4.34Å; I405-I774 HydrophobicContact CG1-CD1 4.37Å; L770-I774 HydrophobicContact CD2-CD1 3.35Å; L770-I774 HydrophobicContact CD2-CG1 3.98Å; L770-I774 WeakPolarHBondContact O-CD1 3.38Å; L770-I774 VanDerWaalsContact O-CG1 3.3Å; L770-I774 WeakPolarHBondContact O-CG1 3.37Å; L770-I774 PolarHBondContact O-N 3.3Å; S771-I774 PolarHBondContact O-N 3.11Å; I774-Y777 PolarHBondContact O-N 3.06Å; I774-S778 WeakPolarHBondContact O-CB 3.29Å; I774-S778 PolarHBondContact O-N 2.85Å; I774-I790 HydrophobicContact CG1-CD1 3.87Å; I774-V809 HydrophobicContact CD1-CG1 3.59Å; I774-L813 HydrophobicContact CB-CD1 3.96Å; I774-L813 HydrophobicContact CD1-CD1 3.82Å; I774-L813 HydrophobicContact CG2-CD1 3.67Å
775	N	81.3	Confident	76.4	Confident	38 Å²	38	60.5 Å²	60.5	20%	0.203	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-43.1	178.6	-171.6	36.1	0	0	0	111.4	S771 Q772 L773 Y777 S778 I779 L813 I991	S771-N775 WeakPolarHBondContact O-CB 3.25Å; S771-N775 PolarHBondContact O-N 2.91Å; Q772-N775 PolarHBondContact O-N 3.37Å; L773-N775 VanDerWaalsContact C-N 3.33Å; L773-N775 PolarHBondContact O-N 2.71Å; N775-Y777 PolarHBondContact O-N 3.45Å; N775-S778 PolarHBondContact O-N 2.97Å; N775-S778 VanDerWaalsContact O-N 3.12Å; N775-I779 WeakPolarHBondContact O-CG1 3.26Å; N775-I779 PolarHBondContact O-N 2.93Å; N775-I779 WeakPolarHBondContact OD1-CD1 3.45Å; N775-L813 HydrophobicContact CB-CD2 4.47Å; N775-I991 HydrophobicContact CB-CD1 4.08Å; N775-I991 VanDerWaalsContact CG-CD1 3.47Å; N775-I991 WeakPolarHBondContact ND2-CD1 3.43Å
776	Q	80	Confident	75	Confident	114 Å²	114	59.9 Å²	59.9	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-56.4	-51	173.4	-73.5	171.7	1.3	0	0	111.7	Q772 L773 S778 I779 K780	Q772-Q776 VanDerWaalsContact O-CG 3.32Å; Q772-Q776 WeakPolarHBondContact O-CG 3.26Å; Q772-Q776 PolarHBondContact O-N 3.29Å; L773-Q776 PolarHBondContact O-N 3.43Å; Q776-S778 PolarHBondContact O-N 3.35Å; Q776-I779 PolarHBondContact O-N 3.36Å; Q776-K780 PolarHBondContact O-N 3.33Å
777	Y	76.3	Confident	74	Confident	29 Å²	29	59.3 Å²	59.3	11%	0.114	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-18.9	177.2	-77.4	-60.6	0	0	0	114.4	F436 K438 L773 I774 N775 M782 T788 I790	F436-Y777 HydrophobicContact CD1-CE1 4.22Å; F436-Y777 AromaticContact CE1-CE1 3.66Å; F436-Y777 HydrophobicContact CE1-CE1 3.66Å; K438-Y777 HydrophobicContact CG-CE2 4.38Å; L773-Y777 WeakPolarHBondContact O-CD2 3.34Å; L773-Y777 PolarHBondContact O-N 3.08Å; I774-Y777 PolarHBondContact O-N 3.06Å; N775-Y777 PolarHBondContact O-N 3.45Å; Y777-M782 HydrophobicContact CE1-CE 3.81Å; Y777-T788 HydrophobicContact CD1-CG2 4.16Å; Y777-T788 HydrophobicContact CG-CG2 4.06Å; Y777-I790 HydrophobicContact CD2-CD1 4.12Å
778	S	72.9	Confident	72.9	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-91.8	-18.3	174.5	-170.4	0	0	0	0	114	N357 I774 N775 Q776	N357-S778 PolarHBondContact N-OG 3.47Å; I774-S778 WeakPolarHBondContact O-CB 3.29Å; I774-S778 PolarHBondContact O-N 2.85Å; N775-S778 PolarHBondContact O-N 2.97Å; N775-S778 VanDerWaalsContact O-N 3.12Å; Q776-S778 PolarHBondContact O-N 3.35Å
779	I	71.2	Confident	72	Confident	96 Å²	96	59.5 Å²	59.5	49%	0.492	29%	0.294	S	S	.	.	H	α-helix	trans	-93	-43.2	175.5	-66.6	166.2	0	0	0	110.3	N775 Q776 P781	N775-I779 WeakPolarHBondContact O-CG1 3.26Å; N775-I779 PolarHBondContact O-N 2.93Å; N775-I779 WeakPolarHBondContact OD1-CD1 3.45Å; Q776-I779 PolarHBondContact O-N 3.36Å; I779-P781 WeakPolarHBondContact O-CD 3.45Å
780	K	67.8	Low	71.6	Confident	168 Å²	168	56 Å²	56	73%	0.73	28%	0.277	S	S	*	.	S	Bend	trans	-116	89.4	176.3	-66.2	-169.9	177.8	-173.8	0	109.2	Q776	Q776-K780 PolarHBondContact O-N 3.33Å
781	P	64	Low	71	Confident	37 Å²	37	57 Å²	57	24%	0.24	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61	152.2	165.8	29.7	-36.2	0	0	0	109.7	F401 I779	F401-P781 HydrophobicContact CB-CB 4.31Å; F401-P781 HydrophobicContact CB-CG 4.37Å; F401-P781 HydrophobicContact CD1-CB 3.69Å; F401-P781 HydrophobicContact CD1-CG 3.78Å; F401-P781 HydrophobicContact CD2-CG 3.97Å; F401-P781 HydrophobicContact CE1-CB 4.16Å; F401-P781 HydrophobicContact CE1-CG 3.98Å; F401-P781 HydrophobicContact CE2-CG 4.17Å; F401-P781 HydrophobicContact CG-CB 3.97Å; F401-P781 HydrophobicContact CG-CG 3.76Å; F401-P781 HydrophobicContact CZ-CG 4.17Å; I779-P781 WeakPolarHBondContact O-CD 3.45Å
782	M	63.5	Low	70.5	Confident	82 Å²	82	56.9 Å²	56.9	40%	0.404	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-72.8	138.6	175.5	-72	-68.5	169.6	0	0	110.7	F436 Y777 N784 Y785	F436-M782 HydrophobicContact CD1-CG 4.09Å; F436-M782 HydrophobicContact CD2-CB 4.48Å; F436-M782 HydrophobicContact CD2-CG 4.25Å; F436-M782 HydrophobicContact CE1-CG 4.2Å; F436-M782 HydrophobicContact CE2-CG 4.36Å; F436-M782 HydrophobicContact CG-CB 4.37Å; F436-M782 HydrophobicContact CG-CG 4.12Å; F436-M782 HydrophobicContact CZ-CG 4.34Å; Y777-M782 HydrophobicContact CE1-CE 3.81Å; M782-N784 PolarHBondContact O-N 2.86Å; M782-Y785 HydrophobicContact CB-CD2 3.73Å; M782-Y785 HydrophobicContact CB-CE2 4.41Å; M782-Y785 HydrophobicContact CB-CG 4.48Å; M782-Y785 WeakPolarHBondContact O-CB 3.43Å; M782-Y785 PolarHBondContact O-N 3.14Å
783	D	57.1	Low	69.9	Low	140 Å²	140	51.9 Å²	51.9	75%	0.749	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	133.6	-177.4	-65.5	-50	0	0	0	112	Y785	D783-Y785 VanDerWaalsContact C-N 3.32Å; D783-Y785 VanDerWaalsContact O-CD2 3.27Å; D783-Y785 WeakPolarHBondContact O-CD2 3.44Å
784	N	58.3	Low	69.2	Low	124 Å²	124	50.6 Å²	50.6	66%	0.663	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	14.2	-174.8	-44.9	-84.4	0	0	0	116.3	R434 M782	R434-N784 WeakPolarHBondContact CB-O 3.38Å; R434-N784 VanDerWaalsContact CD-O 3.24Å; R434-N784 WeakPolarHBondContact CD-O 3.29Å; M782-N784 PolarHBondContact O-N 2.86Å
785	Y	60.3	Low	68.2	Low	91 Å²	91	51.4 Å²	51.4	36%	0.357	26%	0.257	S	S	.	.			trans	-117.3	138.5	173.8	-63.3	-87.5	0	0	0	112.8	R434 L435 F436 M782 D783	R434-Y785 HydrophobicContact CB-CD1 3.89Å; R434-Y785 HydrophobicContact CB-CE1 4.4Å; L435-Y785 VanDerWaalsContact C-CD1 3.41Å; F436-Y785 HydrophobicContact CB-CD1 3.83Å; F436-Y785 HydrophobicContact CB-CD2 4.25Å; F436-Y785 HydrophobicContact CB-CE1 4.28Å; F436-Y785 HydrophobicContact CB-CG 3.8Å; F436-Y785 HydrophobicContact CD2-CE2 4.3Å; M782-Y785 HydrophobicContact CB-CD2 3.73Å; M782-Y785 HydrophobicContact CB-CE2 4.41Å; M782-Y785 HydrophobicContact CB-CG 4.48Å; M782-Y785 WeakPolarHBondContact O-CB 3.43Å; M782-Y785 PolarHBondContact O-N 3.14Å; D783-Y785 VanDerWaalsContact C-N 3.32Å; D783-Y785 VanDerWaalsContact O-CD2 3.27Å; D783-Y785 WeakPolarHBondContact O-CD2 3.44Å
786	N	54.8	Low	67.6	Low	88 Å²	88	52.1 Å²	52.1	47%	0.471	26%	0.261	S	S	.	.	S	Bend	trans	-87.7	-4.4	-176.4	-63.3	5.5	0	0	0	113.1	R434	R434-N786 PolarHBondContact O-N 3.28Å
787	G	63.5	Low	66.8	Low	4 Å²	4	47.3 Å²	47.3	4%	0.041	24%	0.24	C	C	.	.			trans	172.8	164.1	-178.7	0	0	0	0	0	112.4	F436	F436-G787 PolarHBondContact N-O 2.95Å
788	T	65.9	Low	66.4	Low	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.8	-176.3	-64.4	0	0	0	0	110.5	G402 V403 W404 F436 Y777 I790	G402-T788 PolarHBondContact O-N 3.34Å; G402-T788 VanDerWaalsContact O-N 3.13Å; V403-T788 CarbonylContact C-O 3.59Å; V403-T788 WeakPolarHBondContact CA-O 3.4Å; V403-T788 HydrophobicContact CG1-CG2 4.21Å; W404-T788 PolarHBondContact N-O 3.13Å; F436-T788 HydrophobicContact CD1-CG2 4.03Å; F436-T788 CarbonylContact O-C 3.58Å; F436-T788 WeakPolarHBondContact O-CA 3.38Å; Y777-T788 HydrophobicContact CD1-CG2 4.16Å; Y777-T788 HydrophobicContact CG-CG2 4.06Å; T788-I790 HydrophobicContact CG2-CG1 4.11Å
789	I	68.2	Low	66.3	Low	12 Å²	12	47 Å²	47	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.3	168.4	-59.3	171.6	0	0	0	107.5	I330 W404 L406 L435 F436 I437 K438	I330-I789 HydrophobicContact CD1-CD1 4.25Å; W404-I789 HydrophobicContact CB-CG1 4.18Å; W404-I789 CarbonylContact O-C 3.57Å; W404-I789 WeakPolarHBondContact O-CA 3.22Å; L406-I789 HydrophobicContact CD1-CG2 3.71Å; L406-I789 HydrophobicContact CG-CG2 3.98Å; L435-I789 HydrophobicContact CB-CD1 4.35Å; L435-I789 HydrophobicContact CD1-CD1 4.16Å; F436-I789 PolarHBondContact O-N 3.16Å; I437-I789 CarbonylContact C-O 3.56Å; I437-I789 WeakPolarHBondContact CA-O 3.31Å; I437-I789 HydrophobicContact CG1-CB 4.23Å; I437-I789 HydrophobicContact CG1-CD1 4.27Å; K438-I789 PolarHBondContact N-O 2.68Å
790	I	74.7	Confident	66.4	Low	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.7	169.3	-58.3	179.3	0	0	0	107.4	V403 W404 I405 L406 K438 I440 I774 Y777 T788 L792	V403-I790 HydrophobicContact CG1-CD1 3.61Å; V403-I790 HydrophobicContact CG1-CG1 3.84Å; W404-I790 PolarHBondContact O-N 3.23Å; I405-I790 WeakPolarHBondContact CA-O 3.49Å; I405-I790 HydrophobicContact CG1-CB 4.25Å; L406-I790 PolarHBondContact N-O 2.87Å; K438-I790 WeakPolarHBondContact O-CA 3.24Å; I440-I790 HydrophobicContact CD1-CG2 3.65Å; I440-I790 HydrophobicContact CG1-CG2 4.04Å; I774-I790 HydrophobicContact CG1-CD1 3.87Å; Y777-I790 HydrophobicContact CD2-CD1 4.12Å; T788-I790 HydrophobicContact CG2-CG1 4.11Å; I790-L792 HydrophobicContact CG2-CG 4.18Å
791	L	72.3	Confident	66.8	Low	22 Å²	22	35 Å²	35	12%	0.115	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	108.1	169.9	175.8	62	0	0	0	108.6	P349 L406 L411 K438 H439 I440	P349-L791 HydrophobicContact CB-CD1 4.11Å; L406-L791 HydrophobicContact CB-CD1 3.8Å; L411-L791 HydrophobicContact CD1-CD2 4.48Å; K438-L791 PolarHBondContact O-N 3.46Å; H439-L791 PolarHBondContact CD2-O 3.1Å; I440-L791 PolarHBondContact N-O 3.18Å
792	L	76.4	Confident	67.6	Low	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.8	169.4	-70.1	160.8	0	0	0	109	I405 L406 R407 S408 I440 L442 L770 I790 M806	I405-L792 HydrophobicContact CG2-CD1 3.74Å; L406-L792 PolarHBondContact O-N 3.03Å; R407-L792 CarbonylContact C-O 3.4Å; R407-L792 WeakPolarHBondContact CA-O 3.37Å; R407-L792 HydrophobicContact CG-CB 4.47Å; S408-L792 PolarHBondContact N-O 3.46Å; I440-L792 HydrophobicContact CB-CD2 3.84Å; I440-L792 HydrophobicContact CD1-CD2 4.29Å; I440-L792 HydrophobicContact CG2-CD2 3.86Å; L442-L792 HydrophobicContact CD1-CB 4.45Å; L442-L792 HydrophobicContact CD1-CD2 3.99Å; L442-L792 HydrophobicContact CD2-CD2 4.04Å; L442-L792 HydrophobicContact CG-CD2 4.22Å; L770-L792 HydrophobicContact CD1-CD1 4.09Å; L770-L792 HydrophobicContact CD1-CD2 3.96Å; L770-L792 HydrophobicContact CD2-CD1 4.41Å; I790-L792 HydrophobicContact CG2-CG 4.18Å; L792-M806 HydrophobicContact CD1-CE 3.88Å; L792-M806 HydrophobicContact CD1-CG 4.41Å; L792-M806 HydrophobicContact CD1-SD 3.24Å; L792-M806 WeakPolarHBondContact CD1-SD 3.43Å
793	S	72	Confident	68.5	Low	1 Å²	1	30 Å²	30	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.6	172.2	63.3	0	0	0	0	109	S408 L411 H439 I440 L442	S408-S793 WeakPolarHBondContact OG-CB 3.16Å; L411-S793 VanDerWaalsContact CD1-CB 3.44Å; L411-S793 WeakPolarHBondContact CD1-OG 3.43Å; H439-S793 PolarHBondContact NE2-OG 2.91Å; I440-S793 PolarHBondContact O-N 3.18Å; I440-S793 VanDerWaalsContact O-N 3.08Å; L442-S793 WeakPolarHBondContact CB-O 3.46Å; L442-S793 WeakPolarHBondContact CG-O 3.39Å; L442-S793 PolarHBondContact N-O 2.9Å
794	G	68.2	Low	70	Confident	3 Å²	3	23.4 Å²	23.4	3%	0.031	12%	0.121	C	C	.	.			trans	-160.1	178.8	175.5	0	0	0	0	0	111.9	G409 N410	G409-G794 CarbonylContact C-O 3.56Å; N410-G794 VanDerWaalsContact CA-O 3.22Å; N410-G794 WeakPolarHBondContact CA-O 3.46Å; N410-G794 PolarHBondContact N-O 2.67Å
795	P	64.4	Low	71.5	Confident	16 Å²	16	18.1 Å²	18.1	10%	0.104	9%	0.093	C	C	.	.	S	Bend	trans	-60.6	161.8	179	25.4	-36.4	0	0	0	113.9	F444 I534 W801	F444-P795 HydrophobicContact CD1-CG 4.11Å; F444-P795 HydrophobicContact CD2-CB 4.34Å; F444-P795 HydrophobicContact CD2-CG 4.34Å; F444-P795 HydrophobicContact CE1-CB 4.04Å; F444-P795 HydrophobicContact CE1-CG 3.43Å; F444-P795 VanDerWaalsContact CE1-CG 3.43Å; F444-P795 HydrophobicContact CE2-CB 3.46Å; F444-P795 VanDerWaalsContact CE2-CB 3.46Å; F444-P795 HydrophobicContact CE2-CG 3.73Å; F444-P795 HydrophobicContact CZ-CB 3.28Å; F444-P795 HydrophobicContact CZ-CG 3.24Å; I534-P795 HydrophobicContact CD1-CG 4.06Å; P795-W801 PolarHBondContact O-NE1 2.67Å; P795-W801 VanDerWaalsContact O-NE1 3.17Å
796	D	66.9	Low	72.8	Confident	53 Å²	53	13.9 Å²	13.9	28%	0.283	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-165.8	-177.8	-44.6	-33.5	0	0	0	112.5	G409 N410 G798	G409-D796 WeakPolarHBondContact CA-O 3.4Å; N410-D796 PolarHBondContact N-O 2.9Å; N410-D796 VanDerWaalsContact N-O 3.13Å; D796-G798 PolarHBondContact O-N 2.94Å; D796-G798 VanDerWaalsContact O-N 3.16Å
797	S	63.7	Low	74.6	Confident	13 Å²	13	9.7 Å²	9.7	9%	0.091	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.6	-175.3	67.7	0	0	0	0	115.3	R799 D853	S797-R799 PolarHBondContact O-N 3.35Å; S797-R799 WeakPolarHBondContact OG-CB 3.23Å; S797-R799 WeakPolarHBondContact OG-CG 3.37Å; S797-R799 PolarHBondContact OG-N 3.28Å; S797-D853 WeakPolarHBondContact CB-OD1 3.32Å; S797-D853 WeakPolarHBondContact CB-OD2 3.19Å; S797-D853 PolarHBondContact OG-OD1 2.76Å; S797-D853 PolarHBondContact OG-OD2 3.41Å
798	G	68.9	Low	76	Confident	6 Å²	6	9.5 Å²	9.5	6%	0.062	5%	0.052	C	C	.	.	S	Bend	trans	77.3	-10.7	-166	0	0	0	0	0	115.1	D796 N800 Q802	D796-G798 PolarHBondContact O-N 2.94Å; D796-G798 VanDerWaalsContact O-N 3.16Å; G798-N800 VanDerWaalsContact C-N 3.35Å; G798-N800 PolarHBondContact O-N 2.67Å; G798-Q802 VanDerWaalsContact CA-CD 3.44Å; G798-Q802 VanDerWaalsContact O-CB 3.27Å; G798-Q802 WeakPolarHBondContact O-CB 3.43Å; G798-Q802 WeakPolarHBondContact O-CG 3.41Å; G798-Q802 PolarHBondContact O-OE1 2.9Å
799	R	69.9	Low	77.1	Confident	26 Å²	26	9.4 Å²	9.4	10%	0.098	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.6	-168.7	-62.7	-167.8	-67.8	163.4	-15.1	115.8	S797 P803 Y836 D841 D853	S797-R799 PolarHBondContact O-N 3.35Å; S797-R799 WeakPolarHBondContact OG-CB 3.23Å; S797-R799 WeakPolarHBondContact OG-CG 3.37Å; S797-R799 PolarHBondContact OG-N 3.28Å; R799-P803 WeakPolarHBondContact O-CG 3.44Å; R799-Y836 WeakPolarHBondContact O-CD2 3.27Å; R799-D841 IonicContact CZ-OD2 3.74Å; R799-D841 IonicContact NH1-OD1 3.82Å; R799-D841 PolarHBondContact NH1-OD1 2.74Å; R799-D841 IonicContact NH1-OD2 2.71Å; R799-D841 PolarHBondContact NH1-OD2 3.16Å; R799-D841 IonicContact NH2-OD2 3.51Å; R799-D841 PolarHBondContact NH2-OD2 2.86Å; R799-D853 IonicContact CZ-OD2 3.17Å; R799-D853 IonicContact NE-OD2 3.24Å; R799-D853 PolarHBondContact NE-OD2 2.65Å; R799-D853 IonicContact NH2-OD2 3.71Å; R799-D853 PolarHBondContact NH2-OD2 2.93Å
800	N	73.2	Confident	78.2	Confident	3 Å²	3	9.3 Å²	9.3	2%	0.016	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-61.3	-165.6	-70.9	11.3	0	0	0	114.1	H537 G798 D853	H537-N800 HydrophobicContact CB-CB 4.45Å; G798-N800 VanDerWaalsContact C-N 3.35Å; G798-N800 PolarHBondContact O-N 2.67Å; N800-D853 PolarHBondContact ND2-O 2.8Å; N800-D853 PolarHBondContact OD1-O 3.23Å
801	W	76.3	Confident	79	Confident	10 Å²	10	9.3 Å²	9.3	4%	0.038	5%	0.05	C	C	.	.	H	α-helix	trans	-90.8	-21.2	-172.2	58.8	-98.2	0	0	0	112.9	L442 I534 P795 I804 L805	L442-W801 HydrophobicContact CD1-CH2 3.56Å; L442-W801 HydrophobicContact CD1-CZ3 3.61Å; I534-W801 HydrophobicContact CD1-CD2 4.29Å; I534-W801 HydrophobicContact CD1-CE3 4.05Å; I534-W801 HydrophobicContact CD1-CH2 3.26Å; I534-W801 HydrophobicContact CD1-CZ2 3.5Å; I534-W801 HydrophobicContact CD1-CZ3 3.54Å; I534-W801 HydrophobicContact CG1-CD2 4.41Å; I534-W801 HydrophobicContact CG1-CE3 4Å; I534-W801 HydrophobicContact CG1-CH2 4.07Å; I534-W801 HydrophobicContact CG1-CZ2 4.44Å; I534-W801 HydrophobicContact CG1-CZ3 3.81Å; I534-W801 HydrophobicContact CG2-CB 4.38Å; I534-W801 HydrophobicContact CG2-CD2 3.48Å; I534-W801 VanDerWaalsContact CG2-CD2 3.48Å; I534-W801 HydrophobicContact CG2-CE3 3.8Å; I534-W801 HydrophobicContact CG2-CG 3.71Å; I534-W801 HydrophobicContact CG2-CZ2 4.44Å; I534-W801 HydrophobicContact CG2-CZ3 4.39Å; P795-W801 PolarHBondContact O-NE1 2.67Å; P795-W801 VanDerWaalsContact O-NE1 3.17Å; W801-I804 PolarHBondContact O-N 3.26Å; W801-L805 HydrophobicContact CZ3-CD2 4.45Å; W801-L805 PolarHBondContact O-N 3.22Å
802	Q	80.3	Confident	79.8	Confident	11 Å²	11	8.2 Å²	8.2	5%	0.051	5%	0.045	C	C	.	.	H	α-helix	trans	-67.9	-41.4	178.1	-62.6	-179.5	-2.3	0	0	113.3	S408 G798 I804 L805 M806	S408-Q802 PolarHBondContact O-NE2 3.44Å; G798-Q802 VanDerWaalsContact CA-CD 3.44Å; G798-Q802 VanDerWaalsContact O-CB 3.27Å; G798-Q802 WeakPolarHBondContact O-CB 3.43Å; G798-Q802 WeakPolarHBondContact O-CG 3.41Å; G798-Q802 PolarHBondContact O-OE1 2.9Å; Q802-I804 VanDerWaalsContact C-N 3.33Å; Q802-I804 PolarHBondContact O-N 2.94Å; Q802-L805 PolarHBondContact O-N 2.78Å; Q802-M806 WeakPolarHBondContact O-CB 3.35Å; Q802-M806 WeakPolarHBondContact O-CG 3.38Å; Q802-M806 PolarHBondContact O-N 2.95Å
803	P	83.7	Confident	80.3	Confident	2 Å²	2	8.6 Å²	8.6	1%	0.013	5%	0.047	C	C	.	.	H	α-helix	trans	-54.6	-46.2	171.5	-28.7	37.4	0	0	0	112.4	R799 L805 M806 S807 W831	R799-P803 WeakPolarHBondContact O-CG 3.44Å; P803-L805 PolarHBondContact O-N 2.77Å; P803-M806 PolarHBondContact O-N 2.68Å; P803-S807 WeakPolarHBondContact O-CB 3.16Å; P803-S807 PolarHBondContact O-N 2.6Å; P803-S807 PolarHBondContact O-OG 2.84Å; P803-W831 HydrophobicContact CB-CD2 3.8Å; P803-W831 HydrophobicContact CB-CE3 4.07Å; P803-W831 HydrophobicContact CB-CG 4.34Å; P803-W831 HydrophobicContact CB-CH2 4.08Å; P803-W831 HydrophobicContact CB-CZ2 3.78Å; P803-W831 HydrophobicContact CB-CZ3 4.21Å
804	I	89	Confident	80.9	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-54.3	-57.7	177.8	-45.3	170.7	0	0	0	111	I540 I763 W801 Q802 M806 S807 L808 W831 C859 L862 F863	I540-I804 HydrophobicContact CD1-CD1 4.35Å; I763-I804 HydrophobicContact CD1-CD1 4.24Å; I763-I804 HydrophobicContact CD1-CG2 4.25Å; I763-I804 HydrophobicContact CG2-CG2 3.79Å; W801-I804 PolarHBondContact O-N 3.26Å; Q802-I804 VanDerWaalsContact C-N 3.33Å; Q802-I804 PolarHBondContact O-N 2.94Å; I804-M806 PolarHBondContact O-N 2.89Å; I804-M806 VanDerWaalsContact O-N 3.16Å; I804-S807 PolarHBondContact O-OG 3.29Å; I804-L808 HydrophobicContact CG2-CD1 3.96Å; I804-L808 WeakPolarHBondContact O-CB 3.04Å; I804-L808 WeakPolarHBondContact O-CD1 3.21Å; I804-L808 WeakPolarHBondContact O-CG 3.12Å; I804-L808 PolarHBondContact O-N 2.81Å; I804-W831 HydrophobicContact CG1-CH2 3.81Å; I804-W831 HydrophobicContact CG1-CZ2 4.32Å; I804-C859 HydrophobicContact CD1-CB 3.71Å; I804-C859 HydrophobicContact CG1-CB 4.02Å; I804-L862 HydrophobicContact CD1-CD2 4.48Å; I804-F863 HydrophobicContact CG2-CB 4.12Å
805	L	88.2	Confident	81.5	Confident	14 Å²	14	10.5 Å²	10.5	7%	0.073	6%	0.06	C	C	.	.	H	α-helix	trans	-57	-36.5	-174.5	176.6	60.4	0	0	0	111.3	L442 Q766 A767 L770 W801 Q802 P803 V809	L442-L805 HydrophobicContact CD1-CD2 4.46Å; Q766-L805 HydrophobicContact CB-CD1 3.67Å; A767-L805 HydrophobicContact CB-CD1 4.16Å; L770-L805 HydrophobicContact CD1-CD1 4.31Å; L770-L805 HydrophobicContact CD1-CD2 3.82Å; L770-L805 HydrophobicContact CD1-CG 4.06Å; W801-L805 HydrophobicContact CZ3-CD2 4.45Å; W801-L805 PolarHBondContact O-N 3.22Å; Q802-L805 PolarHBondContact O-N 2.78Å; P803-L805 PolarHBondContact O-N 2.77Å; L805-V809 WeakPolarHBondContact O-CG2 3.31Å; L805-V809 PolarHBondContact O-N 2.76Å
806	M	88.8	Confident	82.3	Confident	1 Å²	1	15 Å²	15	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-105.1	-20.2	-165.3	-66.9	-113.1	79.1	0	0	115.4	F353 I405 R407 L770 L792 Q802 P803 I804 L808 V809 Q810	F353-M806 HydrophobicContact CE1-CE 3.86Å; I405-M806 HydrophobicContact CG2-CE 4.19Å; I405-M806 HydrophobicContact CG2-SD 3.75Å; R407-M806 HydrophobicContact CG-SD 4.34Å; R407-M806 PolarHBondContact NE-SD 2.7Å; L770-M806 HydrophobicContact CD1-CE 4.17Å; L770-M806 HydrophobicContact CD2-CE 3.73Å; L792-M806 HydrophobicContact CD1-CE 3.88Å; L792-M806 HydrophobicContact CD1-CG 4.41Å; L792-M806 HydrophobicContact CD1-SD 3.24Å; L792-M806 WeakPolarHBondContact CD1-SD 3.43Å; Q802-M806 WeakPolarHBondContact O-CB 3.35Å; Q802-M806 WeakPolarHBondContact O-CG 3.38Å; Q802-M806 PolarHBondContact O-N 2.95Å; P803-M806 PolarHBondContact O-N 2.68Å; I804-M806 PolarHBondContact O-N 2.89Å; I804-M806 VanDerWaalsContact O-N 3.16Å; M806-L808 VanDerWaalsContact C-N 3.33Å; M806-V809 HydrophobicContact CE-CB 3.78Å; M806-V809 HydrophobicContact CE-CG1 3.76Å; M806-V809 HydrophobicContact CE-CG2 3.94Å; M806-Q810 WeakPolarHBondContact O-CB 3.35Å; M806-Q810 WeakPolarHBondContact O-CG 3.41Å; M806-Q810 PolarHBondContact O-N 3.32Å; M806-Q810 VanDerWaalsContact O-N 3.11Å; M806-Q810 PolarHBondContact O-NE2 2.96Å; M806-Q810 VanDerWaalsContact O-NE2 3.14Å
807	S	91.2	Very high	83.1	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.1	-43.4	159.9	59.8	0	0	0	0	109.3	P803 I804 Q810 I811 F863	P803-S807 WeakPolarHBondContact O-CB 3.16Å; P803-S807 PolarHBondContact O-N 2.6Å; P803-S807 PolarHBondContact O-OG 2.84Å; I804-S807 PolarHBondContact O-OG 3.29Å; S807-Q810 PolarHBondContact O-N 2.9Å; S807-Q810 VanDerWaalsContact O-N 3.15Å; S807-I811 VanDerWaalsContact O-CG1 3.29Å; S807-I811 WeakPolarHBondContact O-CG1 3.19Å; S807-I811 PolarHBondContact O-N 2.88Å; S807-F863 WeakPolarHBondContact OG-CD2 3.27Å; S807-F863 WeakPolarHBondContact OG-CE2 3.39Å
808	L	92.8	Very high	84	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-46.8	175.3	-67.9	170.8	0	0	0	112.3	I763 L764 A767 I804 M806 Q810 I811 I812 F863 C866 V867 L870	I763-L808 HydrophobicContact CG2-CD1 3.64Å; L764-L808 HydrophobicContact CD2-CD1 4.3Å; L764-L808 HydrophobicContact CD2-CD2 4.43Å; A767-L808 HydrophobicContact CB-CB 3.83Å; A767-L808 HydrophobicContact CB-CD1 4.49Å; I804-L808 HydrophobicContact CG2-CD1 3.96Å; I804-L808 WeakPolarHBondContact O-CB 3.04Å; I804-L808 WeakPolarHBondContact O-CD1 3.21Å; I804-L808 WeakPolarHBondContact O-CG 3.12Å; I804-L808 PolarHBondContact O-N 2.81Å; M806-L808 VanDerWaalsContact C-N 3.33Å; L808-Q810 VanDerWaalsContact C-N 3.28Å; L808-Q810 PolarHBondContact O-N 3.06Å; L808-I811 PolarHBondContact O-N 3.11Å; L808-I812 WeakPolarHBondContact O-CB 3.39Å; L808-I812 WeakPolarHBondContact O-CD1 3.22Å; L808-I812 VanDerWaalsContact O-CG1 3.23Å; L808-I812 WeakPolarHBondContact O-CG1 3.49Å; L808-I812 PolarHBondContact O-N 3.27Å; L808-F863 HydrophobicContact CD2-CD2 4.3Å; L808-F863 HydrophobicContact CD2-CE2 4.44Å; L808-F863 HydrophobicContact CG-CD2 4.3Å; L808-C866 HydrophobicContact CD1-CB 3.65Å; L808-C866 HydrophobicContact CD2-CB 3.64Å; L808-C866 HydrophobicContact CG-CB 4.26Å; L808-V867 HydrophobicContact CD2-CG2 3.99Å; L808-L870 HydrophobicContact CD2-CD1 3.89Å
809	V	90.7	Very high	84.4	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.9	-40.3	173.5	168.2	0	0	0	0	111.9	F353 A767 L770 I774 L805 M806 I812 L813	F353-V809 HydrophobicContact CE1-CG1 4.22Å; F353-V809 HydrophobicContact CZ-CG1 3.76Å; A767-V809 HydrophobicContact CB-CG2 4.16Å; A767-V809 WeakPolarHBondContact O-CG2 3.43Å; L770-V809 HydrophobicContact CB-CG2 3.84Å; L770-V809 HydrophobicContact CD2-CG1 4.41Å; L770-V809 HydrophobicContact CD2-CG2 4.3Å; L770-V809 HydrophobicContact CG-CG2 4.44Å; I774-V809 HydrophobicContact CD1-CG1 3.59Å; L805-V809 WeakPolarHBondContact O-CG2 3.31Å; L805-V809 PolarHBondContact O-N 2.76Å; M806-V809 HydrophobicContact CE-CB 3.78Å; M806-V809 HydrophobicContact CE-CG1 3.76Å; M806-V809 HydrophobicContact CE-CG2 3.94Å; V809-I812 PolarHBondContact O-N 2.93Å; V809-L813 HydrophobicContact CG1-CD1 3.73Å; V809-L813 HydrophobicContact CG1-CG 4.34Å; V809-L813 VanDerWaalsContact O-CB 3.32Å; V809-L813 WeakPolarHBondContact O-CB 3.04Å; V809-L813 WeakPolarHBondContact O-CG 3.46Å; V809-L813 PolarHBondContact O-N 3.38Å
810	Q	90.4	Very high	84.6	Confident	10 Å²	10	15.1 Å²	15.1	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-71.8	-28.6	178.8	-82.2	179	89.2	0	0	114.1	F353 M806 S807 L808 S814 N817 L826 E830	F353-Q810 HydrophobicContact CB-CG 4.36Å; F353-Q810 HydrophobicContact CD1-CG 3.43Å; F353-Q810 VanDerWaalsContact CD1-CG 3.43Å; F353-Q810 HydrophobicContact CD2-CG 3.91Å; F353-Q810 HydrophobicContact CE1-CG 3.47Å; F353-Q810 VanDerWaalsContact CE1-CG 3.47Å; F353-Q810 HydrophobicContact CE2-CG 3.94Å; F353-Q810 HydrophobicContact CG-CG 3.66Å; F353-Q810 HydrophobicContact CZ-CG 3.73Å; M806-Q810 WeakPolarHBondContact O-CB 3.35Å; M806-Q810 WeakPolarHBondContact O-CG 3.41Å; M806-Q810 PolarHBondContact O-N 3.32Å; M806-Q810 VanDerWaalsContact O-N 3.11Å; M806-Q810 PolarHBondContact O-NE2 2.96Å; M806-Q810 VanDerWaalsContact O-NE2 3.14Å; S807-Q810 PolarHBondContact O-N 2.9Å; S807-Q810 VanDerWaalsContact O-N 3.15Å; L808-Q810 VanDerWaalsContact C-N 3.28Å; L808-Q810 PolarHBondContact O-N 3.06Å; Q810-S814 WeakPolarHBondContact O-CB 3.45Å; Q810-S814 PolarHBondContact O-N 2.97Å; Q810-N817 PolarHBondContact O-ND2 3.39Å; Q810-L826 HydrophobicContact CB-CD1 3.74Å; Q810-L826 HydrophobicContact CG-CD1 4.32Å; Q810-E830 PolarHBondContact NE2-OE1 2.61Å
811	I	91.4	Very high	84.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-73.4	-40.1	171	-72.4	163.3	0	0	0	110.5	S807 L808 R818 F823 L826 F863 V867 L870 F878 L992	S807-I811 VanDerWaalsContact O-CG1 3.29Å; S807-I811 WeakPolarHBondContact O-CG1 3.19Å; S807-I811 PolarHBondContact O-N 2.88Å; L808-I811 PolarHBondContact O-N 3.11Å; I811-R818 HydrophobicContact CG2-CG 4.22Å; I811-F823 HydrophobicContact CD1-CD2 4.05Å; I811-F823 HydrophobicContact CD1-CE2 3.72Å; I811-L826 HydrophobicContact CD1-CD2 3.77Å; I811-L826 HydrophobicContact CG1-CD2 3.6Å; I811-F863 HydrophobicContact CD1-CE2 3.96Å; I811-F863 HydrophobicContact CD1-CZ 4.28Å; I811-V867 HydrophobicContact CD1-CG2 3.77Å; I811-L870 HydrophobicContact CG2-CD1 3.96Å; I811-F878 HydrophobicContact CG2-CE1 3.7Å; I811-F878 HydrophobicContact CG2-CZ 3.73Å; I811-L992 HydrophobicContact CG2-CD1 4.46Å
812	I	90.4	Very high	84.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.2	-40.4	177.9	-72.6	163.6	0	0	0	111.4	A767 T768 S771 L808 V809 L870 I991 L992	A767-I812 HydrophobicContact CB-CD1 4Å; T768-I812 HydrophobicContact CG2-CD1 4.18Å; S771-I812 VanDerWaalsContact OG-CG2 3.31Å; S771-I812 WeakPolarHBondContact OG-CG2 3.06Å; L808-I812 WeakPolarHBondContact O-CB 3.39Å; L808-I812 WeakPolarHBondContact O-CD1 3.22Å; L808-I812 VanDerWaalsContact O-CG1 3.23Å; L808-I812 WeakPolarHBondContact O-CG1 3.49Å; L808-I812 PolarHBondContact O-N 3.27Å; V809-I812 PolarHBondContact O-N 2.93Å; I812-L870 HydrophobicContact CG1-CD1 4.46Å; I812-I991 HydrophobicContact CG2-CG2 3.83Å; I812-I991 VanDerWaalsContact O-CA 3.28Å; I812-I991 WeakPolarHBondContact O-CA 3.3Å; I812-L992 HydrophobicContact CG1-CB 4.3Å; I812-L992 HydrophobicContact CG2-CB 4.4Å; I812-L992 VanDerWaalsContact CG2-O 3.26Å; I812-L992 WeakPolarHBondContact CG2-O 3.41Å; I812-L992 PolarHBondContact O-N 3.24Å
813	L	86.6	Confident	84.4	Confident	11 Å²	11	18.1 Å²	18.1	6%	0.058	10%	0.099	C	C	.	.	H	α-helix	trans	-88.1	-23.4	-174.8	-75.2	177.6	0	0	0	115.6	F353 Y355 I774 N775 V809 I991	F353-L813 HydrophobicContact CE2-CD1 4.02Å; F353-L813 HydrophobicContact CZ-CD1 3.99Å; Y355-L813 HydrophobicContact CD2-CB 4.12Å; Y355-L813 HydrophobicContact CD2-CD1 4.13Å; Y355-L813 HydrophobicContact CE2-CB 3.8Å; Y355-L813 HydrophobicContact CE2-CD1 4.35Å; Y355-L813 HydrophobicContact CE2-CD2 4.16Å; Y355-L813 HydrophobicContact CE2-CG 4.34Å; Y355-L813 HydrophobicContact CG-CD1 4.4Å; I774-L813 HydrophobicContact CB-CD1 3.96Å; I774-L813 HydrophobicContact CD1-CD1 3.82Å; I774-L813 HydrophobicContact CG2-CD1 3.67Å; N775-L813 HydrophobicContact CB-CD2 4.47Å; V809-L813 HydrophobicContact CG1-CD1 3.73Å; V809-L813 HydrophobicContact CG1-CG 4.34Å; V809-L813 VanDerWaalsContact O-CB 3.32Å; V809-L813 WeakPolarHBondContact O-CB 3.04Å; V809-L813 WeakPolarHBondContact O-CG 3.46Å; V809-L813 PolarHBondContact O-N 3.38Å; L813-I991 HydrophobicContact CD2-CD1 4Å; L813-I991 HydrophobicContact CD2-CG1 4.28Å; L813-I991 HydrophobicContact CD2-CG2 4.24Å
814	S	83.1	Confident	84.1	Confident	33 Å²	33	20.7 Å²	20.7	23%	0.231	11%	0.111	C	C	.	.			trans	-134.6	116.9	-171.1	-176.3	0	0	0	0	112.8	Q810 E816 N817	Q810-S814 WeakPolarHBondContact O-CB 3.45Å; Q810-S814 PolarHBondContact O-N 2.97Å; S814-E816 PolarHBondContact O-N 3.25Å; S814-N817 PolarHBondContact O-N 3.21Å
815	A	82.2	Confident	83.3	Confident	11 Å²	11	23.8 Å²	23.8	9%	0.091	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.3	176.8	0	0	0	0	0	113.2	N817 R818 T988	A815-N817 PolarHBondContact O-N 3.38Å; A815-R818 WeakPolarHBondContact O-CB 3.5Å; A815-R818 PolarHBondContact O-N 2.99Å; A815-T988 WeakPolarHBondContact CB-O 3.42Å
816	E	80.2	Confident	83.1	Confident	109 Å²	109	23.2 Å²	23.2	51%	0.509	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-54.3	-41.9	175.8	-64.6	-176.6	-167.8	0	0	111.2	K369 S814 R818 T819 G822	K369-E816 WeakPolarHBondContact CE-OE2 3.32Å; K369-E816 IonicContact NZ-OE2 2.73Å; K369-E816 PolarHBondContact NZ-OE2 3.04Å; S814-E816 PolarHBondContact O-N 3.25Å; E816-R818 PolarHBondContact O-N 2.99Å; E816-T819 WeakPolarHBondContact O-CB 3.32Å; E816-T819 PolarHBondContact O-N 3.47Å; E816-T819 VanDerWaalsContact O-N 3.1Å; E816-T819 PolarHBondContact O-OG1 2.92Å; E816-G822 WeakPolarHBondContact O-CA 3.23Å
817	N	83.5	Confident	82.7	Confident	11 Å²	11	23.8 Å²	23.8	6%	0.059	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-77.3	-0.1	-174.9	-58.9	-22.1	0	0	0	113.2	K369 Q810 S814 A815 L826	K369-N817 PolarHBondContact NZ-OD1 3.2Å; Q810-N817 PolarHBondContact O-ND2 3.39Å; S814-N817 PolarHBondContact O-N 3.21Å; A815-N817 PolarHBondContact O-N 3.38Å; N817-L826 HydrophobicContact CB-CD2 4.43Å
818	R	84	Confident	81.5	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.008	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-100.2	-6.5	171.9	-49.7	-175.7	-51.3	-155.1	5.9	112.3	I811 A815 E816 E877 F878 A879 R990	I811-R818 HydrophobicContact CG2-CG 4.22Å; A815-R818 WeakPolarHBondContact O-CB 3.5Å; A815-R818 PolarHBondContact O-N 2.99Å; E816-R818 PolarHBondContact O-N 2.99Å; R818-E877 VanDerWaalsContact CB-O 3.31Å; R818-E877 WeakPolarHBondContact CB-O 3.36Å; R818-E877 WeakPolarHBondContact CD-O 3.29Å; R818-E877 IonicContact CZ-OE2 2.67Å; R818-E877 PolarHBondContact NE-O 3.16Å; R818-E877 IonicContact NH1-OE2 2.72Å; R818-E877 PolarHBondContact NH1-OE2 2.6Å; R818-E877 PolarHBondContact NH2-O 3.33Å; R818-E877 IonicContact NH2-OE2 2.9Å; R818-E877 PolarHBondContact NH2-OE2 2.88Å; R818-F878 HydrophobicContact CB-CD1 3.7Å; R818-F878 HydrophobicContact CB-CE1 4Å; R818-F878 HydrophobicContact CB-CG 4.32Å; R818-F878 HydrophobicContact CG-CD1 4.06Å; R818-F878 HydrophobicContact CG-CE1 3.82Å; R818-F878 HydrophobicContact CG-CZ 4.35Å; R818-A879 PolarHBondContact O-N 2.89Å; R818-R990 PolarHBondContact NH1-O 2.71Å
819	T	75.6	Confident	80.4	Confident	47 Å²	47	28.1 Å²	28.1	29%	0.288	15%	0.148	S	C	.	.	S	Bend	trans	-76	153.9	166	70.7	0	0	0	0	110.2	E816 L821 G822 F823	E816-T819 WeakPolarHBondContact O-CB 3.32Å; E816-T819 PolarHBondContact O-N 3.47Å; E816-T819 VanDerWaalsContact O-N 3.1Å; E816-T819 PolarHBondContact O-OG1 2.92Å; T819-L821 PolarHBondContact O-N 3.05Å; T819-G822 PolarHBondContact O-N 2.85Å; T819-G822 VanDerWaalsContact O-N 3.14Å; T819-G822 PolarHBondContact OG1-N 3.03Å; T819-F823 WeakPolarHBondContact O-CB 3.11Å; T819-F823 PolarHBondContact O-N 2.83Å
820	I	74	Confident	79.7	Confident	41 Å²	41	28.1 Å²	28.1	21%	0.21	15%	0.148	C	C	.	.	H	α-helix	trans	-52.2	-57.2	178	-61.1	166.4	0	0	0	110.2	G822 F823 E824 A879 F880 Y884	I820-G822 VanDerWaalsContact C-N 3.33Å; I820-G822 PolarHBondContact O-N 3.49Å; I820-F823 PolarHBondContact O-N 3.08Å; I820-E824 WeakPolarHBondContact CG2-OE1 3.28Å; I820-E824 WeakPolarHBondContact O-CG 3.17Å; I820-E824 PolarHBondContact O-N 3.4Å; I820-A879 HydrophobicContact CG1-CB 4.29Å; I820-F880 HydrophobicContact CG1-CB 4.14Å; I820-Y884 HydrophobicContact CG2-CE2 4.08Å
821	L	73	Confident	79	Confident	81 Å²	81	27.7 Å²	27.7	42%	0.424	15%	0.146	S	C	.	.	H	α-helix	trans	-56.8	-42.9	177.2	-78.6	169.3	0	0	0	112.7	T819 E824 N825 H943	T819-L821 PolarHBondContact O-N 3.05Å; L821-E824 PolarHBondContact O-N 2.85Å; L821-N825 WeakPolarHBondContact O-CB 3.4Å; L821-N825 PolarHBondContact O-N 3.5Å; L821-N825 PolarHBondContact O-ND2 2.83Å; L821-H943 WeakPolarHBondContact CD2-NE2 3.5Å
822	G	74.5	Confident	77.8	Confident	6 Å²	6	29.4 Å²	29.4	6%	0.062	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-34.6	-179.6	0	0	0	0	0	113.4	E816 T819 I820 L826	E816-G822 WeakPolarHBondContact O-CA 3.23Å; T819-G822 PolarHBondContact O-N 2.85Å; T819-G822 VanDerWaalsContact O-N 3.14Å; T819-G822 PolarHBondContact OG1-N 3.03Å; I820-G822 VanDerWaalsContact C-N 3.33Å; I820-G822 PolarHBondContact O-N 3.49Å; G822-L826 WeakPolarHBondContact O-CB 3.05Å; G822-L826 PolarHBondContact O-N 2.79Å
823	F	80.2	Confident	76.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.3	-37.9	175.9	-169.9	-103.2	0	0	0	111.8	I811 T819 I820 L826 I827 F863 I864 V867 F880 Y884 L885 L888	I811-F823 HydrophobicContact CD1-CD2 4.05Å; I811-F823 HydrophobicContact CD1-CE2 3.72Å; T819-F823 WeakPolarHBondContact O-CB 3.11Å; T819-F823 PolarHBondContact O-N 2.83Å; I820-F823 PolarHBondContact O-N 3.08Å; F823-L826 WeakPolarHBondContact O-CB 2.99Å; F823-L826 PolarHBondContact O-N 3.22Å; F823-I827 HydrophobicContact CD1-CD1 3.69Å; F823-I827 HydrophobicContact CE1-CD1 3.51Å; F823-I827 HydrophobicContact CE1-CG1 4.47Å; F823-I827 HydrophobicContact CZ-CD1 4.21Å; F823-I827 WeakPolarHBondContact O-CG1 3.48Å; F823-I827 PolarHBondContact O-N 3.41Å; F823-F863 AromaticContact CE2-CZ 3.8Å; F823-F863 HydrophobicContact CE2-CZ 3.8Å; F823-F863 HydrophobicContact CZ-CE1 4.15Å; F823-F863 AromaticContact CZ-CZ 3.84Å; F823-F863 HydrophobicContact CZ-CZ 3.84Å; F823-I864 HydrophobicContact CZ-CD1 4.34Å; F823-V867 HydrophobicContact CE2-CG1 3.85Å; F823-V867 HydrophobicContact CE2-CG2 4.04Å; F823-V867 HydrophobicContact CZ-CG1 3.98Å; F823-V867 HydrophobicContact CZ-CG2 4.3Å; F823-F880 HydrophobicContact CB-CD1 4.27Å; F823-F880 HydrophobicContact CB-CE1 3.69Å; F823-F880 HydrophobicContact CB-CZ 4.49Å; F823-F880 HydrophobicContact CD1-CE1 4.08Å; F823-F880 HydrophobicContact CD1-CZ 4.27Å; F823-F880 AromaticContact CD2-CE1 3.74Å; F823-F880 HydrophobicContact CD2-CE1 3.74Å; F823-F880 AromaticContact CD2-CZ 3.7Å; F823-F880 HydrophobicContact CD2-CZ 3.7Å; F823-F880 HydrophobicContact CE1-CZ 4.38Å; F823-F880 HydrophobicContact CE2-CE1 4.35Å; F823-F880 AromaticContact CE2-CZ 3.85Å; F823-F880 HydrophobicContact CE2-CZ 3.85Å; F823-F880 HydrophobicContact CG-CD1 4.36Å; F823-F880 AromaticContact CG-CE1 3.58Å; F823-F880 HydrophobicContact CG-CE1 3.58Å; F823-F880 AromaticContact CG-CZ 3.92Å; F823-F880 HydrophobicContact CG-CZ 3.92Å; F823-F880 HydrophobicContact CZ-CZ 4.19Å; F823-Y884 AromaticContact CD1-CE1 3.77Å; F823-Y884 HydrophobicContact CD1-CE1 3.77Å; F823-Y884 AromaticContact CE1-CE1 3.97Å; F823-Y884 HydrophobicContact CE1-CE1 3.97Å; F823-L885 HydrophobicContact CE1-CD2 3.97Å; F823-L885 HydrophobicContact CZ-CD2 3.88Å; F823-L888 HydrophobicContact CE1-CD2 3.76Å
824	E	76.4	Confident	75.2	Confident	56 Å²	56	34.3 Å²	34.3	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-47.4	171.7	-70.8	168.8	174.5	0	0	111.5	I820 L821 L826 I827 E828 Y884 F902	I820-E824 WeakPolarHBondContact CG2-OE1 3.28Å; I820-E824 WeakPolarHBondContact O-CG 3.17Å; I820-E824 PolarHBondContact O-N 3.4Å; L821-E824 PolarHBondContact O-N 2.85Å; E824-L826 VanDerWaalsContact C-N 3.25Å; E824-L826 PolarHBondContact O-N 2.91Å; E824-I827 PolarHBondContact O-N 2.92Å; E824-E828 WeakPolarHBondContact O-CB 3.46Å; E824-E828 PolarHBondContact O-N 2.82Å; E824-Y884 WeakPolarHBondContact CG-OH 3.4Å; E824-Y884 PolarHBondContact OE1-OH 3.49Å; E824-Y884 VanDerWaalsContact OE1-OH 3.04Å; E824-F902 HydrophobicContact CG-CE1 4.11Å; E824-F902 WeakPolarHBondContact OE1-CE1 3.23Å; E824-F902 WeakPolarHBondContact OE1-CZ 3.22Å
825	N	73.2	Confident	74.2	Confident	66 Å²	66	33.9 Å²	33.9	35%	0.353	17%	0.174	S	C	.	.	H	α-helix	trans	-60.1	-36.2	172.8	-80.2	-93.7	0	0	0	111.5	L821 Q829	L821-N825 WeakPolarHBondContact O-CB 3.4Å; L821-N825 PolarHBondContact O-N 3.5Å; L821-N825 PolarHBondContact O-ND2 2.83Å; N825-Q829 WeakPolarHBondContact O-CB 3.47Å; N825-Q829 PolarHBondContact O-N 2.7Å
826	L	83.3	Confident	73.6	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-38.5	176.4	-175.2	71.8	0	0	0	112	Q810 I811 N817 G822 F823 E824 E830	Q810-L826 HydrophobicContact CB-CD1 3.74Å; Q810-L826 HydrophobicContact CG-CD1 4.32Å; I811-L826 HydrophobicContact CD1-CD2 3.77Å; I811-L826 HydrophobicContact CG1-CD2 3.6Å; N817-L826 HydrophobicContact CB-CD2 4.43Å; G822-L826 WeakPolarHBondContact O-CB 3.05Å; G822-L826 PolarHBondContact O-N 2.79Å; F823-L826 WeakPolarHBondContact O-CB 2.99Å; F823-L826 PolarHBondContact O-N 3.22Å; E824-L826 VanDerWaalsContact C-N 3.25Å; E824-L826 PolarHBondContact O-N 2.91Å; L826-E830 HydrophobicContact CD1-CG 3.79Å; L826-E830 HydrophobicContact CG-CG 4.4Å; L826-E830 WeakPolarHBondContact O-CB 3.48Å; L826-E830 WeakPolarHBondContact O-CG 3.22Å; L826-E830 PolarHBondContact O-N 3.33Å
827	I	79.8	Confident	72.8	Confident	13 Å²	13	29 Å²	29	7%	0.067	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-47.5	175.3	-68.7	161.9	0	0	0	110.6	F823 E824 Q829 W831 I832 F863 L888	F823-I827 HydrophobicContact CD1-CD1 3.69Å; F823-I827 HydrophobicContact CE1-CD1 3.51Å; F823-I827 HydrophobicContact CE1-CG1 4.47Å; F823-I827 HydrophobicContact CZ-CD1 4.21Å; F823-I827 WeakPolarHBondContact O-CG1 3.48Å; F823-I827 PolarHBondContact O-N 3.41Å; E824-I827 PolarHBondContact O-N 2.92Å; I827-Q829 VanDerWaalsContact C-N 3.32Å; I827-Q829 PolarHBondContact O-N 3.49Å; I827-W831 HydrophobicContact CG2-CB 4.36Å; I827-W831 WeakPolarHBondContact O-CA 3.15Å; I827-W831 WeakPolarHBondContact O-CB 3.3Å; I827-W831 PolarHBondContact O-N 2.95Å; I827-I832 PolarHBondContact O-N 3.09Å; I827-I832 VanDerWaalsContact O-N 3.12Å; I827-F863 HydrophobicContact CG1-CE1 4.36Å; I827-L888 HydrophobicContact CD1-CD1 4.4Å; I827-L888 HydrophobicContact CD1-CD2 3.53Å
828	E	67.1	Low	71.8	Confident	37 Å²	37	29.4 Å²	29.4	17%	0.173	15%	0.151	C	C	.	.	I	π-helix	trans	-57.8	-47.8	177.1	-157.6	-122.3	130.6	0	0	110.6	E824 I832 R833	E824-E828 WeakPolarHBondContact O-CB 3.46Å; E824-E828 PolarHBondContact O-N 2.82Å; E828-I832 HydrophobicContact CB-CD1 4.49Å; E828-I832 HydrophobicContact CG-CD1 4.28Å; E828-I832 WeakPolarHBondContact O-CB 3.24Å; E828-I832 PolarHBondContact O-N 2.94Å; E828-R833 WeakPolarHBondContact O-CG 3.49Å; E828-R833 PolarHBondContact O-N 3.2Å; E828-R833 IonicContact OE1-CZ 2.76Å; E828-R833 IonicContact OE1-NE 3.26Å; E828-R833 PolarHBondContact OE1-NE 2.89Å; E828-R833 IonicContact OE1-NH2 3.11Å; E828-R833 PolarHBondContact OE1-NH2 3.42Å; E828-R833 IonicContact OE2-CZ 3.45Å; E828-R833 IonicContact OE2-NE 2.78Å; E828-R833 IonicContact OE2-NH2 2.66Å; E828-R833 PolarHBondContact OE2-NH2 3.25Å
829	Q	68.6	Low	70.6	Confident	54 Å²	54	32.1 Å²	32.1	25%	0.252	17%	0.167	S	C	.	.	I	π-helix	trans	-62.7	-61.1	175.9	-177.6	163.5	-32	0	0	111.8	S352 N825 I827 R833 Y834	S352-Q829 PolarHBondContact O-NE2 2.83Å; N825-Q829 WeakPolarHBondContact O-CB 3.47Å; N825-Q829 PolarHBondContact O-N 2.7Å; I827-Q829 VanDerWaalsContact C-N 3.32Å; I827-Q829 PolarHBondContact O-N 3.49Å; Q829-R833 WeakPolarHBondContact O-CB 3.46Å; Q829-Y834 HydrophobicContact CG-CE2 4.45Å; Q829-Y834 WeakPolarHBondContact O-CD2 3.36Å; Q829-Y834 WeakPolarHBondContact O-CE2 3.44Å
830	E	76.8	Confident	69.7	Low	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-86.8	-24	-163.5	-64.8	-63.6	179	0	0	115.6	R407 Q810 L826 Y834	R407-E830 IonicContact CZ-OE2 3.82Å; R407-E830 IonicContact NH1-OE2 3.34Å; R407-E830 PolarHBondContact NH1-OE2 3.14Å; R407-E830 IonicContact NH2-OE1 3.82Å; R407-E830 PolarHBondContact NH2-OE1 3.31Å; R407-E830 IonicContact NH2-OE2 2.65Å; R407-E830 PolarHBondContact NH2-OE2 3.39Å; Q810-E830 PolarHBondContact NE2-OE1 2.61Å; L826-E830 HydrophobicContact CD1-CG 3.79Å; L826-E830 HydrophobicContact CG-CG 4.4Å; L826-E830 WeakPolarHBondContact O-CB 3.48Å; L826-E830 WeakPolarHBondContact O-CG 3.22Å; L826-E830 PolarHBondContact O-N 3.33Å; E830-Y834 WeakPolarHBondContact O-CD2 3.23Å; E830-Y834 WeakPolarHBondContact OE2-CE2 3.31Å
831	W	75.2	Confident	68.7	Low	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-109.8	-44.4	-176.3	-63.4	76.9	0	0	0	111.3	P803 I804 I827 G835 Y836 F838 C859 F860 F863	P803-W831 HydrophobicContact CB-CD2 3.8Å; P803-W831 HydrophobicContact CB-CE3 4.07Å; P803-W831 HydrophobicContact CB-CG 4.34Å; P803-W831 HydrophobicContact CB-CH2 4.08Å; P803-W831 HydrophobicContact CB-CZ2 3.78Å; P803-W831 HydrophobicContact CB-CZ3 4.21Å; I804-W831 HydrophobicContact CG1-CH2 3.81Å; I804-W831 HydrophobicContact CG1-CZ2 4.32Å; I827-W831 HydrophobicContact CG2-CB 4.36Å; I827-W831 WeakPolarHBondContact O-CA 3.15Å; I827-W831 WeakPolarHBondContact O-CB 3.3Å; I827-W831 PolarHBondContact O-N 2.95Å; W831-G835 PolarHBondContact O-N 2.85Å; W831-Y836 AromaticContact CE3-CD1 3.47Å; W831-Y836 HydrophobicContact CE3-CD1 3.47Å; W831-Y836 VanDerWaalsContact CE3-CD1 3.47Å; W831-Y836 HydrophobicContact CE3-CD2 4.33Å; W831-Y836 AromaticContact CE3-CE1 3.85Å; W831-Y836 HydrophobicContact CE3-CE1 3.85Å; W831-Y836 AromaticContact CE3-CG 3.7Å; W831-Y836 HydrophobicContact CE3-CG 3.7Å; W831-Y836 AromaticContact CZ3-CD1 3.83Å; W831-Y836 HydrophobicContact CZ3-CD1 3.83Å; W831-Y836 HydrophobicContact CZ3-CD2 4.16Å; W831-Y836 AromaticContact CZ3-CE1 3.8Å; W831-Y836 HydrophobicContact CZ3-CE1 3.8Å; W831-Y836 HydrophobicContact CZ3-CE2 4.16Å; W831-Y836 AromaticContact CZ3-CG 3.97Å; W831-Y836 HydrophobicContact CZ3-CG 3.97Å; W831-Y836 AromaticContact CZ3-CZ 3.94Å; W831-Y836 PolarHBondContact O-N 2.79Å; W831-F838 HydrophobicContact CB-CE2 3.92Å; W831-F838 HydrophobicContact CB-CZ 4.09Å; W831-F838 HydrophobicContact CE3-CE2 4.47Å; W831-F838 HydrophobicContact CE3-CZ 4.2Å; W831-C859 HydrophobicContact CH2-CB 4.49Å; W831-C859 HydrophobicContact CZ3-CB 4.41Å; W831-F860 AromaticContact CD2-CD2 3.9Å; W831-F860 HydrophobicContact CD2-CD2 3.9Å; W831-F860 HydrophobicContact CD2-CE2 4.43Å; W831-F860 HydrophobicContact CE3-CB 4.3Å; W831-F860 AromaticContact CE3-CD2 3.7Å; W831-F860 HydrophobicContact CE3-CD2 3.7Å; W831-F860 HydrophobicContact CE3-CG 4.5Å; W831-F860 HydrophobicContact CH2-CB 4.36Å; W831-F860 HydrophobicContact CH2-CD2 4.26Å; W831-F860 HydrophobicContact CZ2-CD2 4.46Å; W831-F860 HydrophobicContact CZ3-CB 3.82Å; W831-F860 AromaticContact CZ3-CD2 3.89Å; W831-F860 HydrophobicContact CZ3-CD2 3.89Å; W831-F860 HydrophobicContact CZ3-CG 4.38Å; W831-F863 AromaticContact CE2-CD1 3.77Å; W831-F863 HydrophobicContact CH2-CB 3.64Å; W831-F863 HydrophobicContact CH2-CD1 4.23Å; W831-F863 HydrophobicContact CH2-CG 4.1Å; W831-F863 HydrophobicContact CZ2-CB 3.43Å; W831-F863 VanDerWaalsContact CZ2-CB 3.43Å; W831-F863 AromaticContact CZ2-CD1 3.5Å; W831-F863 HydrophobicContact CZ2-CD1 3.5Å; W831-F863 VanDerWaalsContact CZ2-CD1 3.5Å; W831-F863 HydrophobicContact CZ2-CD2 4.11Å; W831-F863 HydrophobicContact CZ2-CE1 4.27Å; W831-F863 AromaticContact CZ2-CG 3.39Å; W831-F863 HydrophobicContact CZ2-CG 3.39Å; W831-F863 AromaticContact NE1-CD1 3.96Å; W831-F863 AromaticContact NE1-CE1 3.85Å
832	I	65.5	Low	67.4	Low	37 Å²	37	30.8 Å²	30.8	19%	0.19	17%	0.166	C	C	.	.	I	π-helix	trans	-79	-54.7	-179.5	-45.8	-174.3	0	0	0	111.1	I827 E828 Y834 G835 F906	I827-I832 PolarHBondContact O-N 3.09Å; I827-I832 VanDerWaalsContact O-N 3.12Å; E828-I832 HydrophobicContact CB-CD1 4.49Å; E828-I832 HydrophobicContact CG-CD1 4.28Å; E828-I832 WeakPolarHBondContact O-CB 3.24Å; E828-I832 PolarHBondContact O-N 2.94Å; I832-Y834 PolarHBondContact O-N 3.39Å; I832-G835 WeakPolarHBondContact O-CA 3.26Å; I832-G835 PolarHBondContact O-N 3.38Å; I832-F906 HydrophobicContact CD1-CD2 4.22Å; I832-F906 HydrophobicContact CD1-CE2 3.56Å; I832-F906 HydrophobicContact CD1-CZ 3.91Å; I832-F906 HydrophobicContact CG1-CE2 3.81Å; I832-F906 HydrophobicContact CG1-CZ 3.65Å
833	R	61.6	Low	66.2	Low	88 Å²	88	37.3 Å²	37.3	33%	0.332	20%	0.198	S	C	.	.	I	π-helix	trans	-71.7	-25.8	-176.7	-62.7	177.1	-168.9	173.2	8.6	114	T322 E828 Q829 G835	T322-R833 WeakPolarHBondContact CG2-O 3.45Å; E828-R833 WeakPolarHBondContact O-CG 3.49Å; E828-R833 PolarHBondContact O-N 3.2Å; E828-R833 IonicContact OE1-CZ 2.76Å; E828-R833 IonicContact OE1-NE 3.26Å; E828-R833 PolarHBondContact OE1-NE 2.89Å; E828-R833 IonicContact OE1-NH2 3.11Å; E828-R833 PolarHBondContact OE1-NH2 3.42Å; E828-R833 IonicContact OE2-CZ 3.45Å; E828-R833 IonicContact OE2-NE 2.78Å; E828-R833 IonicContact OE2-NH2 2.66Å; E828-R833 PolarHBondContact OE2-NH2 3.25Å; Q829-R833 WeakPolarHBondContact O-CB 3.46Å; R833-G835 VanDerWaalsContact C-N 3.27Å
834	Y	62.1	Low	64.2	Low	26 Å²	26	41.5 Å²	41.5	10%	0.102	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.8	167.4	-64.1	-102.4	0	0	0	112.5	R347 I350 L351 S352 Q829 E830 I832	R347-Y834 PolarHBondContact NH1-O 2.94Å; I350-Y834 HydrophobicContact CB-CD1 4.38Å; I350-Y834 HydrophobicContact CB-CE1 3.66Å; I350-Y834 HydrophobicContact CD1-CD1 4.01Å; I350-Y834 HydrophobicContact CD1-CE1 4.12Å; I350-Y834 HydrophobicContact CG1-CE1 4.5Å; I350-Y834 HydrophobicContact CG2-CD1 4.34Å; I350-Y834 HydrophobicContact CG2-CE1 3.42Å; I350-Y834 VanDerWaalsContact CG2-CE1 3.42Å; I350-Y834 WeakPolarHBondContact CG2-OH 3.38Å; L351-Y834 PolarHBondContact O-OH 3.29Å; S352-Y834 WeakPolarHBondContact CA-OH 3.14Å; S352-Y834 PolarHBondContact OG-OH 3.24Å; Q829-Y834 HydrophobicContact CG-CE2 4.45Å; Q829-Y834 WeakPolarHBondContact O-CD2 3.36Å; Q829-Y834 WeakPolarHBondContact O-CE2 3.44Å; E830-Y834 WeakPolarHBondContact O-CD2 3.23Å; E830-Y834 WeakPolarHBondContact OE2-CE2 3.31Å; I832-Y834 PolarHBondContact O-N 3.39Å
835	G	60.9	Low	62.5	Low	24 Å²	24	44.3 Å²	44.3	25%	0.247	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	51.9	174.8	0	0	0	0	0	113.3	W831 I832 R833	W831-G835 PolarHBondContact O-N 2.85Å; I832-G835 WeakPolarHBondContact O-CA 3.26Å; I832-G835 PolarHBondContact O-N 3.38Å; R833-G835 VanDerWaalsContact C-N 3.27Å
836	Y	70.6	Confident	60.8	Low	8 Å²	8	43.6 Å²	43.6	3%	0.031	22%	0.223	C	C	.	.			trans	-62.6	131.2	161	165.2	-102	0	0	0	108.7	R799 W831 F838 D855 G857 C859 F860	R799-Y836 WeakPolarHBondContact O-CD2 3.27Å; W831-Y836 AromaticContact CE3-CD1 3.47Å; W831-Y836 HydrophobicContact CE3-CD1 3.47Å; W831-Y836 VanDerWaalsContact CE3-CD1 3.47Å; W831-Y836 HydrophobicContact CE3-CD2 4.33Å; W831-Y836 AromaticContact CE3-CE1 3.85Å; W831-Y836 HydrophobicContact CE3-CE1 3.85Å; W831-Y836 AromaticContact CE3-CG 3.7Å; W831-Y836 HydrophobicContact CE3-CG 3.7Å; W831-Y836 AromaticContact CZ3-CD1 3.83Å; W831-Y836 HydrophobicContact CZ3-CD1 3.83Å; W831-Y836 HydrophobicContact CZ3-CD2 4.16Å; W831-Y836 AromaticContact CZ3-CE1 3.8Å; W831-Y836 HydrophobicContact CZ3-CE1 3.8Å; W831-Y836 HydrophobicContact CZ3-CE2 4.16Å; W831-Y836 AromaticContact CZ3-CG 3.97Å; W831-Y836 HydrophobicContact CZ3-CG 3.97Å; W831-Y836 AromaticContact CZ3-CZ 3.94Å; W831-Y836 PolarHBondContact O-N 2.79Å; Y836-F838 HydrophobicContact CD1-CD1 4.38Å; Y836-F838 AromaticContact CD1-CD2 3.46Å; Y836-F838 HydrophobicContact CD1-CD2 3.46Å; Y836-F838 VanDerWaalsContact CD1-CD2 3.46Å; Y836-F838 HydrophobicContact CD1-CE1 4.32Å; Y836-F838 AromaticContact CD1-CE2 3.4Å; Y836-F838 HydrophobicContact CD1-CE2 3.4Å; Y836-F838 VanDerWaalsContact CD1-CE2 3.4Å; Y836-F838 AromaticContact CD1-CG 3.98Å; Y836-F838 HydrophobicContact CD1-CG 3.98Å; Y836-F838 AromaticContact CD1-CZ 3.86Å; Y836-F838 HydrophobicContact CD1-CZ 3.86Å; Y836-F838 HydrophobicContact CE1-CD1 4.1Å; Y836-F838 AromaticContact CE1-CD2 3.99Å; Y836-F838 HydrophobicContact CE1-CD2 3.99Å; Y836-F838 HydrophobicContact CE1-CE1 4.12Å; Y836-F838 HydrophobicContact CE1-CE2 4.03Å; Y836-F838 HydrophobicContact CE1-CG 4.04Å; Y836-F838 HydrophobicContact CE1-CZ 4.08Å; Y836-F838 HydrophobicContact CG-CE2 4.46Å; Y836-F838 WeakPolarHBondContact O-CD2 3.43Å; Y836-F838 PolarHBondContact O-N 2.81Å; Y836-D855 WeakPolarHBondContact CE2-OD2 3.41Å; Y836-D855 PolarHBondContact OH-OD1 3.3Å; Y836-D855 PolarHBondContact OH-OD2 2.85Å; Y836-G857 WeakPolarHBondContact OH-CA 3Å; Y836-C859 HydrophobicContact CE2-CB 3.72Å; Y836-C859 PolarHBondContact OH-N 3.39Å; Y836-F860 HydrophobicContact CE1-CB 3.86Å; Y836-F860 PolarHBondContact OH-N 2.93Å; Y836-F860 VanDerWaalsContact OH-N 3.15Å
837	P	63.5	Low	58.7	Low	8 Å²	8	48.2 Å²	48.2	5%	0.052	25%	0.248	C	C	.	.			trans	-80.7	85	-171.6	33.2	-36.5	0	0	0	111.7	V839 D853 Y854	P837-V839 CarbonylContact C-O 3.52Å; P837-V839 WeakPolarHBondContact CB-O 3.16Å; P837-V839 PolarHBondContact O-N 3.38Å; P837-D853 HydrophobicContact CG-CB 4.04Å; P837-D853 WeakPolarHBondContact CG-O 3.47Å; P837-Y854 HydrophobicContact CB-CD2 4.16Å; P837-Y854 HydrophobicContact CG-CD2 4.5Å; P837-Y854 WeakPolarHBondContact O-CD2 3.48Å; P837-Y854 WeakPolarHBondContact O-CE2 3.2Å
838	F	62.7	Low	56.9	Low	21 Å²	21	55.8 Å²	55.8	9%	0.092	29%	0.288	C	S	.	.	S	Bend	trans	-63.4	-28.2	168.3	-73.2	-96.2	0	0	0	112.7	W831 Y836 Y854 F860 A892 F906	W831-F838 HydrophobicContact CB-CE2 3.92Å; W831-F838 HydrophobicContact CB-CZ 4.09Å; W831-F838 HydrophobicContact CE3-CE2 4.47Å; W831-F838 HydrophobicContact CE3-CZ 4.2Å; Y836-F838 HydrophobicContact CD1-CD1 4.38Å; Y836-F838 AromaticContact CD1-CD2 3.46Å; Y836-F838 HydrophobicContact CD1-CD2 3.46Å; Y836-F838 VanDerWaalsContact CD1-CD2 3.46Å; Y836-F838 HydrophobicContact CD1-CE1 4.32Å; Y836-F838 AromaticContact CD1-CE2 3.4Å; Y836-F838 HydrophobicContact CD1-CE2 3.4Å; Y836-F838 VanDerWaalsContact CD1-CE2 3.4Å; Y836-F838 AromaticContact CD1-CG 3.98Å; Y836-F838 HydrophobicContact CD1-CG 3.98Å; Y836-F838 AromaticContact CD1-CZ 3.86Å; Y836-F838 HydrophobicContact CD1-CZ 3.86Å; Y836-F838 HydrophobicContact CE1-CD1 4.1Å; Y836-F838 AromaticContact CE1-CD2 3.99Å; Y836-F838 HydrophobicContact CE1-CD2 3.99Å; Y836-F838 HydrophobicContact CE1-CE1 4.12Å; Y836-F838 HydrophobicContact CE1-CE2 4.03Å; Y836-F838 HydrophobicContact CE1-CG 4.04Å; Y836-F838 HydrophobicContact CE1-CZ 4.08Å; Y836-F838 HydrophobicContact CG-CE2 4.46Å; Y836-F838 WeakPolarHBondContact O-CD2 3.43Å; Y836-F838 PolarHBondContact O-N 2.81Å; F838-Y854 WeakPolarHBondContact O-CE2 3.49Å; F838-Y854 PolarHBondContact O-OH 3.47Å; F838-F860 HydrophobicContact CE1-CB 4.01Å; F838-F860 AromaticContact CE1-CD1 3.81Å; F838-F860 HydrophobicContact CE1-CD1 3.81Å; F838-F860 AromaticContact CE1-CD2 3.62Å; F838-F860 HydrophobicContact CE1-CD2 3.62Å; F838-F860 HydrophobicContact CE1-CE1 4.12Å; F838-F860 AromaticContact CE1-CE2 3.95Å; F838-F860 HydrophobicContact CE1-CE2 3.95Å; F838-F860 AromaticContact CE1-CG 3.53Å; F838-F860 HydrophobicContact CE1-CG 3.53Å; F838-F860 HydrophobicContact CE1-CZ 4.18Å; F838-F860 HydrophobicContact CZ-CB 4.48Å; F838-F860 AromaticContact CZ-CD2 3.56Å; F838-F860 HydrophobicContact CZ-CD2 3.56Å; F838-F860 AromaticContact CZ-CE2 3.81Å; F838-F860 HydrophobicContact CZ-CE2 3.81Å; F838-F860 AromaticContact CZ-CG 3.97Å; F838-F860 HydrophobicContact CZ-CG 3.97Å; F838-F860 HydrophobicContact CZ-CZ 4.41Å; F838-A892 HydrophobicContact CD1-CB 4.18Å; F838-A892 HydrophobicContact CE1-CB 4.04Å; F838-F906 HydrophobicContact CB-CD1 4.32Å; F838-F906 HydrophobicContact CB-CE1 3.79Å; F838-F906 HydrophobicContact CD1-CE1 4.2Å; F838-F906 HydrophobicContact CD1-CZ 4.16Å; F838-F906 HydrophobicContact CD2-CD1 4.39Å; F838-F906 AromaticContact CD2-CE1 3.19Å; F838-F906 HydrophobicContact CD2-CE1 3.19Å; F838-F906 HydrophobicContact CD2-CE2 4.47Å; F838-F906 AromaticContact CD2-CZ 3.26Å; F838-F906 HydrophobicContact CD2-CZ 3.26Å; F838-F906 HydrophobicContact CE1-CZ 4.11Å; F838-F906 AromaticContact CE2-CE1 3.69Å; F838-F906 HydrophobicContact CE2-CE1 3.69Å; F838-F906 HydrophobicContact CE2-CE2 4.21Å; F838-F906 AromaticContact CE2-CZ 3.19Å; F838-F906 HydrophobicContact CE2-CZ 3.19Å; F838-F906 HydrophobicContact CG-CD1 4.34Å; F838-F906 AromaticContact CG-CE1 3.48Å; F838-F906 HydrophobicContact CG-CE1 3.48Å; F838-F906 VanDerWaalsContact CG-CE1 3.48Å; F838-F906 AromaticContact CG-CZ 3.76Å; F838-F906 HydrophobicContact CG-CZ 3.76Å; F838-F906 HydrophobicContact CZ-CE1 4.38Å; F838-F906 HydrophobicContact CZ-CE2 4.28Å; F838-F906 AromaticContact CZ-CZ 3.65Å; F838-F906 HydrophobicContact CZ-CZ 3.65Å
839	V	58.7	Low	55.4	Low	59 Å²	59	58.4 Å²	58.4	36%	0.358	31%	0.31	S	S	.	.	S	Bend	trans	-111.8	148.1	171.4	177.4	0	0	0	0	106.9	P837 D841	P837-V839 CarbonylContact C-O 3.52Å; P837-V839 WeakPolarHBondContact CB-O 3.16Å; P837-V839 PolarHBondContact O-N 3.38Å; V839-D841 PolarHBondContact O-N 3.29Å
840	P	56.9	Low	54.2	Low	70 Å²	70	58 Å²	58	46%	0.455	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-51.6	131.9	172	-21.5	29	0	0	0	110.5	Y854	P840-Y854 HydrophobicContact CB-CD1 4.11Å; P840-Y854 HydrophobicContact CB-CD2 4.34Å; P840-Y854 HydrophobicContact CB-CE1 4.43Å; P840-Y854 HydrophobicContact CB-CG 4.04Å; P840-Y854 VanDerWaalsContact CD-CZ 3.5Å; P840-Y854 HydrophobicContact CG-CD1 3.72Å; P840-Y854 HydrophobicContact CG-CD2 4.28Å; P840-Y854 HydrophobicContact CG-CE1 3.58Å; P840-Y854 HydrophobicContact CG-CE2 4.19Å; P840-Y854 HydrophobicContact CG-CG 4.06Å; P840-Y854 VanDerWaalsContact N-CE2 3.31Å
841	D	53.1	Low	52.9	Low	20 Å²	20	61.6 Å²	61.6	11%	0.107	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-52.1	135.3	162.3	-81.1	-45.8	0	0	0	107.7	R799 V839 W845 H846	R799-D841 IonicContact CZ-OD2 3.74Å; R799-D841 IonicContact NH1-OD1 3.82Å; R799-D841 PolarHBondContact NH1-OD1 2.74Å; R799-D841 IonicContact NH1-OD2 2.71Å; R799-D841 PolarHBondContact NH1-OD2 3.16Å; R799-D841 IonicContact NH2-OD2 3.51Å; R799-D841 PolarHBondContact NH2-OD2 2.86Å; V839-D841 PolarHBondContact O-N 3.29Å; D841-W845 HydrophobicContact CB-CB 4.38Å; D841-H846 WeakPolarHBondContact CB-NE2 3.26Å; D841-H846 IonicContact OD2-CE1 3.44Å; D841-H846 PolarHBondContact OD2-CE1 3.25Å
842	P	45.4	Very low	51.9	Low	51 Å²	51	64.4 Å²	64.4	33%	0.331	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-52.5	146.2	172.6	-26.6	34.2	0	0	0	111	D844 W845	P842-D844 HydrophobicContact CB-CB 4.45Å; P842-D844 PolarHBondContact O-N 3.1Å; P842-D844 VanDerWaalsContact O-N 3.08Å; P842-W845 HydrophobicContact CB-CD2 4.49Å; P842-W845 HydrophobicContact CB-CG 4.05Å; P842-W845 HydrophobicContact CG-CD2 3.94Å; P842-W845 HydrophobicContact CG-CG 4.02Å; P842-W845 WeakPolarHBondContact O-CA 3.45Å; P842-W845 VanDerWaalsContact O-CB 3.32Å; P842-W845 WeakPolarHBondContact O-CB 3.41Å; P842-W845 PolarHBondContact O-N 2.99Å
843	I	47.9	Very low	51.8	Low	143 Å²	143	62.8 Å²	62.8	73%	0.733	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-53.1	-35.2	175.5	-61.8	167.7	0	0	0	110.2	W845 H846	I843-W845 PolarHBondContact O-N 3.41Å; I843-H846 PolarHBondContact O-N 3.06Å
844	D	38.9	Very low	52.1	Low	88 Å²	88	59.9 Å²	59.9	47%	0.471	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.1	-3.5	174.6	-37.8	-31.8	0	0	0	115.2	Y106 P842	Y106-D844 WeakPolarHBondContact CE2-OD1 3.49Å; Y106-D844 VanDerWaalsContact CZ-OD1 3.23Å; Y106-D844 PolarHBondContact OH-OD1 3.07Å; P842-D844 HydrophobicContact CB-CB 4.45Å; P842-D844 PolarHBondContact O-N 3.1Å; P842-D844 VanDerWaalsContact O-N 3.08Å
845	W	40.5	Very low	52.4	Low	114 Å²	114	58.7 Å²	58.7	43%	0.432	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-115.2	-5.5	-173.1	-71.5	22.2	0	0	0	114	R321 D841 P842 I843	R321-W845 VanDerWaalsContact CZ-CE2 3.44Å; R321-W845 VanDerWaalsContact NH1-CE3 3.31Å; D841-W845 HydrophobicContact CB-CB 4.38Å; P842-W845 HydrophobicContact CB-CD2 4.49Å; P842-W845 HydrophobicContact CB-CG 4.05Å; P842-W845 HydrophobicContact CG-CD2 3.94Å; P842-W845 HydrophobicContact CG-CG 4.02Å; P842-W845 WeakPolarHBondContact O-CA 3.45Å; P842-W845 VanDerWaalsContact O-CB 3.32Å; P842-W845 WeakPolarHBondContact O-CB 3.41Å; P842-W845 PolarHBondContact O-N 2.99Å; I843-W845 PolarHBondContact O-N 3.41Å
846	H	38.7	Very low	52.6	Low	51 Å²	51	60.2 Å²	60.2	24%	0.236	33%	0.333	C	S	.	.			trans	-97	136.8	172.9	-66.7	-55.2	0	0	0	111.2	D841 I843 C852	D841-H846 WeakPolarHBondContact CB-NE2 3.26Å; D841-H846 IonicContact OD2-CE1 3.44Å; D841-H846 PolarHBondContact OD2-CE1 3.25Å; I843-H846 PolarHBondContact O-N 3.06Å; H846-C852 PolarHBondContact NE2-SG 2.88Å
847	D	39.2	Very low	52.5	Low	101 Å²	101	60 Å²	60	54%	0.54	33%	0.333	S	S	.	.			trans	-78.2	137.1	150.1	-178.6	14.3	0	0	0	107.1	S849 I850	D847-S849 PolarHBondContact O-N 3.31Å; D847-S849 WeakPolarHBondContact OD2-CB 3.47Å; D847-S849 PolarHBondContact OD2-OG 3.44Å; D847-I850 HydrophobicContact CB-CD1 4.35Å; D847-I850 HydrophobicContact CB-CG1 4.36Å; D847-I850 PolarHBondContact O-N 2.8Å
848	D	40.6	Very low	53.1	Low	171 Å²	171	59.7 Å²	59.7	91%	0.914	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.5	-179.1	-82.6	-32.3	0	0	0	112.4
849	S	35.4	Very low	53.9	Low	92 Å²	92	58.7 Å²	58.7	64%	0.643	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-24.8	172.6	75.8	0	0	0	0	114	D847	D847-S849 PolarHBondContact O-N 3.31Å; D847-S849 WeakPolarHBondContact OD2-CB 3.47Å; D847-S849 PolarHBondContact OD2-OG 3.44Å
850	I	44.4	Very low	55.1	Low	46 Å²	46	55.9 Å²	55.9	24%	0.236	31%	0.31	C	S	.	.	S	Bend	trans	-103.1	118.5	-173.3	-57.3	177.8	0	0	0	109.3	D847 C852	D847-I850 HydrophobicContact CB-CD1 4.35Å; D847-I850 HydrophobicContact CB-CG1 4.36Å; D847-I850 PolarHBondContact O-N 2.8Å; I850-C852 PolarHBondContact O-N 2.92Å
851	S	49.7	Very low	56.2	Low	75 Å²	75	52.6 Å²	52.6	52%	0.524	29%	0.288	S	S	.	.			trans	-56.7	132.1	174.6	56.6	0	0	0	0	111.2	D853	S851-D853 PolarHBondContact O-N 3.3Å
852	C	54.4	Low	57.6	Low	59 Å²	59	51.6 Å²	51.6	40%	0.399	28%	0.283	S	S	.	.			trans	-53.5	114.9	175.1	-176.6	0	0	0	0	110.6	H846 I850 Y854	H846-C852 PolarHBondContact NE2-SG 2.88Å; I850-C852 PolarHBondContact O-N 2.92Å; C852-Y854 PolarHBondContact O-N 2.98Å; C852-Y854 VanDerWaalsContact O-N 3.12Å; C852-Y854 VanDerWaalsContact SG-CB 3.5Å; C852-Y854 PolarHBondContact SG-N 2.76Å
853	D	62.9	Low	59.7	Low	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.267	C	S	.	.			trans	-68.3	-2	176.6	-72.7	-62.2	0	0	0	112.2	S797 R799 N800 P837 S851 D855	S797-D853 WeakPolarHBondContact CB-OD1 3.32Å; S797-D853 WeakPolarHBondContact CB-OD2 3.19Å; S797-D853 PolarHBondContact OG-OD1 2.76Å; S797-D853 PolarHBondContact OG-OD2 3.41Å; R799-D853 IonicContact CZ-OD2 3.17Å; R799-D853 IonicContact NE-OD2 3.24Å; R799-D853 PolarHBondContact NE-OD2 2.65Å; R799-D853 IonicContact NH2-OD2 3.71Å; R799-D853 PolarHBondContact NH2-OD2 2.93Å; N800-D853 PolarHBondContact ND2-O 2.8Å; N800-D853 PolarHBondContact OD1-O 3.23Å; P837-D853 HydrophobicContact CG-CB 4.04Å; P837-D853 WeakPolarHBondContact CG-O 3.47Å; S851-D853 PolarHBondContact O-N 3.3Å; D853-D855 PolarHBondContact O-N 2.94Å; D853-D855 VanDerWaalsContact O-N 3.1Å
854	Y	67.4	Low	61.5	Low	26 Å²	26	42.4 Å²	42.4	10%	0.102	23%	0.232	C	C	.	.			trans	-71.1	109.7	-177.8	-168	-115.5	0	0	0	112.9	K541 P837 F838 P840 C852 D856 R895	K541-Y854 PolarHBondContact NZ-O 2.82Å; P837-Y854 HydrophobicContact CB-CD2 4.16Å; P837-Y854 HydrophobicContact CG-CD2 4.5Å; P837-Y854 WeakPolarHBondContact O-CD2 3.48Å; P837-Y854 WeakPolarHBondContact O-CE2 3.2Å; F838-Y854 WeakPolarHBondContact O-CE2 3.49Å; F838-Y854 PolarHBondContact O-OH 3.47Å; P840-Y854 HydrophobicContact CB-CD1 4.11Å; P840-Y854 HydrophobicContact CB-CD2 4.34Å; P840-Y854 HydrophobicContact CB-CE1 4.43Å; P840-Y854 HydrophobicContact CB-CG 4.04Å; P840-Y854 VanDerWaalsContact CD-CZ 3.5Å; P840-Y854 HydrophobicContact CG-CD1 3.72Å; P840-Y854 HydrophobicContact CG-CD2 4.28Å; P840-Y854 HydrophobicContact CG-CE1 3.58Å; P840-Y854 HydrophobicContact CG-CE2 4.19Å; P840-Y854 HydrophobicContact CG-CG 4.06Å; P840-Y854 VanDerWaalsContact N-CE2 3.31Å; C852-Y854 PolarHBondContact O-N 2.98Å; C852-Y854 VanDerWaalsContact O-N 3.12Å; C852-Y854 VanDerWaalsContact SG-CB 3.5Å; C852-Y854 PolarHBondContact SG-N 2.76Å; Y854-D856 HydrophobicContact CE1-CB 4.28Å; Y854-D856 WeakPolarHBondContact CE1-OD1 3.48Å; Y854-R895 PolarHBondContact OH-NH2 2.64Å; Y854-R895 VanDerWaalsContact OH-NH2 3.11Å
855	D	69.3	Low	63.6	Low	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.21	C	C	.	.			trans	-99.1	4.5	-173.3	73.1	-14.3	0	0	0	114.1	H537 K541 Y836 D853 G857 V858 C859	H537-D855 WeakPolarHBondContact CD2-CB 3.37Å; H537-D855 VanDerWaalsContact NE2-CA 3.3Å; H537-D855 WeakPolarHBondContact NE2-CA 3.29Å; H537-D855 VanDerWaalsContact NE2-CB 3.29Å; H537-D855 WeakPolarHBondContact NE2-CB 3.3Å; K541-D855 WeakPolarHBondContact CE-O 3.24Å; Y836-D855 WeakPolarHBondContact CE2-OD2 3.41Å; Y836-D855 PolarHBondContact OH-OD1 3.3Å; Y836-D855 PolarHBondContact OH-OD2 2.85Å; D853-D855 PolarHBondContact O-N 2.94Å; D853-D855 VanDerWaalsContact O-N 3.1Å; D855-G857 VanDerWaalsContact C-N 3.29Å; D855-G857 WeakPolarHBondContact OD1-CA 3.41Å; D855-G857 PolarHBondContact OD1-N 2.88Å; D855-V858 WeakPolarHBondContact O-CG2 3.29Å; D855-V858 PolarHBondContact OD1-N 2.9Å; D855-V858 PolarHBondContact OD2-N 3.1Å; D855-C859 WeakPolarHBondContact OD2-CB 3.24Å; D855-C859 PolarHBondContact OD2-N 2.95Å; D855-C859 PolarHBondContact OD2-SG 3.44Å
856	D	63.8	Low	65.9	Low	56 Å²	56	32.8 Å²	32.8	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	12.4	-171.4	-75.5	-80.7	0	0	0	116	K541 Y854 R895	K541-D856 WeakPolarHBondContact CE-OD2 3.4Å; K541-D856 IonicContact NZ-OD2 2.76Å; K541-D856 PolarHBondContact NZ-OD2 3.24Å; Y854-D856 HydrophobicContact CE1-CB 4.28Å; Y854-D856 WeakPolarHBondContact CE1-OD1 3.48Å; D856-R895 VanDerWaalsContact CA-NH2 3.25Å; D856-R895 PolarHBondContact O-NH2 2.95Å; D856-R895 IonicContact OD1-CZ 2.68Å; D856-R895 VanDerWaalsContact OD1-CZ 3.25Å; D856-R895 IonicContact OD1-NH1 2.63Å; D856-R895 PolarHBondContact OD1-NH1 3.23Å; D856-R895 IonicContact OD1-NH2 3.86Å; D856-R895 PolarHBondContact OD1-NH2 3.22Å
857	G	69.6	Low	68.3	Low	4 Å²	4	30.3 Å²	30.3	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	11.4	-177.8	0	0	0	0	0	114	Y836 D855 F860 A861	Y836-G857 WeakPolarHBondContact OH-CA 3Å; D855-G857 VanDerWaalsContact C-N 3.29Å; D855-G857 WeakPolarHBondContact OD1-CA 3.41Å; D855-G857 PolarHBondContact OD1-N 2.88Å; G857-F860 PolarHBondContact O-N 2.96Å; G857-A861 PolarHBondContact O-N 2.69Å
858	V	76.2	Confident	70.5	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-78.3	-34.7	-167.2	-178.9	0	0	0	0	113.4	I540 W544 W756 D855 F860 A861 L862	I540-V858 HydrophobicContact CG2-CB 4.41Å; I540-V858 HydrophobicContact CG2-CG1 3.59Å; W544-V858 HydrophobicContact CB-CB 4.41Å; W544-V858 HydrophobicContact CB-CG1 3.34Å; W544-V858 HydrophobicContact CB-CG2 4.1Å; W544-V858 HydrophobicContact CD2-CG1 3.96Å; W544-V858 HydrophobicContact CD2-CG2 4.26Å; W544-V858 HydrophobicContact CE3-CG1 4.44Å; W544-V858 HydrophobicContact CG-CB 4.27Å; W544-V858 HydrophobicContact CG-CG1 3.51Å; W544-V858 HydrophobicContact CG-CG2 3.65Å; W756-V858 HydrophobicContact CH2-CG1 3.96Å; W756-V858 HydrophobicContact CZ3-CG1 3.97Å; D855-V858 WeakPolarHBondContact O-CG2 3.29Å; D855-V858 PolarHBondContact OD1-N 2.9Å; D855-V858 PolarHBondContact OD2-N 3.1Å; V858-F860 VanDerWaalsContact C-N 3.28Å; V858-F860 PolarHBondContact O-N 3.45Å; V858-A861 WeakPolarHBondContact O-CB 3.39Å; V858-A861 PolarHBondContact O-N 3.11Å; V858-L862 WeakPolarHBondContact O-CB 3.45Å; V858-L862 PolarHBondContact O-N 3.43Å
859	C	79.9	Confident	72.6	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.2	-37.5	171.7	-64.8	0	0	0	0	110.8	I804 W831 Y836 D855 L862 F863	I804-C859 HydrophobicContact CD1-CB 3.71Å; I804-C859 HydrophobicContact CG1-CB 4.02Å; W831-C859 HydrophobicContact CH2-CB 4.49Å; W831-C859 HydrophobicContact CZ3-CB 4.41Å; Y836-C859 HydrophobicContact CE2-CB 3.72Å; Y836-C859 PolarHBondContact OH-N 3.39Å; D855-C859 WeakPolarHBondContact OD2-CB 3.24Å; D855-C859 PolarHBondContact OD2-N 2.95Å; D855-C859 PolarHBondContact OD2-SG 3.44Å; C859-L862 PolarHBondContact O-N 3.15Å; C859-F863 WeakPolarHBondContact O-CB 3.49Å; C859-F863 PolarHBondContact O-N 3.25Å
860	F	82.4	Confident	75.1	Confident	1 Å²	1	13 Å²	13	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-66.2	-43.5	172.7	-170.7	-105.4	0	0	0	111.8	W831 Y836 F838 G857 V858 L862 F863 I864 L888 L889 A892	W831-F860 AromaticContact CD2-CD2 3.9Å; W831-F860 HydrophobicContact CD2-CD2 3.9Å; W831-F860 HydrophobicContact CD2-CE2 4.43Å; W831-F860 HydrophobicContact CE3-CB 4.3Å; W831-F860 AromaticContact CE3-CD2 3.7Å; W831-F860 HydrophobicContact CE3-CD2 3.7Å; W831-F860 HydrophobicContact CE3-CG 4.5Å; W831-F860 HydrophobicContact CH2-CB 4.36Å; W831-F860 HydrophobicContact CH2-CD2 4.26Å; W831-F860 HydrophobicContact CZ2-CD2 4.46Å; W831-F860 HydrophobicContact CZ3-CB 3.82Å; W831-F860 AromaticContact CZ3-CD2 3.89Å; W831-F860 HydrophobicContact CZ3-CD2 3.89Å; W831-F860 HydrophobicContact CZ3-CG 4.38Å; Y836-F860 HydrophobicContact CE1-CB 3.86Å; Y836-F860 PolarHBondContact OH-N 2.93Å; Y836-F860 VanDerWaalsContact OH-N 3.15Å; F838-F860 HydrophobicContact CE1-CB 4.01Å; F838-F860 AromaticContact CE1-CD1 3.81Å; F838-F860 HydrophobicContact CE1-CD1 3.81Å; F838-F860 AromaticContact CE1-CD2 3.62Å; F838-F860 HydrophobicContact CE1-CD2 3.62Å; F838-F860 HydrophobicContact CE1-CE1 4.12Å; F838-F860 AromaticContact CE1-CE2 3.95Å; F838-F860 HydrophobicContact CE1-CE2 3.95Å; F838-F860 AromaticContact CE1-CG 3.53Å; F838-F860 HydrophobicContact CE1-CG 3.53Å; F838-F860 HydrophobicContact CE1-CZ 4.18Å; F838-F860 HydrophobicContact CZ-CB 4.48Å; F838-F860 AromaticContact CZ-CD2 3.56Å; F838-F860 HydrophobicContact CZ-CD2 3.56Å; F838-F860 AromaticContact CZ-CE2 3.81Å; F838-F860 HydrophobicContact CZ-CE2 3.81Å; F838-F860 AromaticContact CZ-CG 3.97Å; F838-F860 HydrophobicContact CZ-CG 3.97Å; F838-F860 HydrophobicContact CZ-CZ 4.41Å; G857-F860 PolarHBondContact O-N 2.96Å; V858-F860 VanDerWaalsContact C-N 3.28Å; V858-F860 PolarHBondContact O-N 3.45Å; F860-L862 PolarHBondContact O-N 3.17Å; F860-F863 AromaticContact CD2-CD1 3.99Å; F860-F863 HydrophobicContact CD2-CD1 3.99Å; F860-F863 HydrophobicContact CE2-CD1 4Å; F860-F863 HydrophobicContact CE2-CE1 4.19Å; F860-F863 WeakPolarHBondContact O-CB 3.45Å; F860-F863 PolarHBondContact O-N 2.99Å; F860-I864 HydrophobicContact CD1-CG1 4.11Å; F860-I864 HydrophobicContact CE1-CD1 4.2Å; F860-I864 HydrophobicContact CE1-CG1 3.81Å; F860-I864 HydrophobicContact CE2-CD1 4.34Å; F860-I864 HydrophobicContact CE2-CG1 4.47Å; F860-I864 HydrophobicContact CZ-CD1 3.92Å; F860-I864 HydrophobicContact CZ-CG1 4.02Å; F860-I864 WeakPolarHBondContact O-CG1 3.32Å; F860-I864 PolarHBondContact O-N 2.72Å; F860-L888 HydrophobicContact CE1-CG 4.28Å; F860-L888 HydrophobicContact CZ-CD1 4.23Å; F860-L888 HydrophobicContact CZ-CD2 4.07Å; F860-L888 HydrophobicContact CZ-CG 3.92Å; F860-L889 HydrophobicContact CD1-CD1 4.36Å; F860-A892 HydrophobicContact CD1-CB 3.82Å; F860-A892 HydrophobicContact CE1-CB 3.51Å; F860-A892 HydrophobicContact CZ-CB 4.38Å
861	A	80.1	Confident	76.9	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.5	-45.8	172.7	0	0	0	0	0	112.1	W544 G857 V858 F863 I864 D865 L889 W1012	W544-A861 HydrophobicContact CH2-CB 3.69Å; W544-A861 HydrophobicContact CZ2-CB 4.1Å; W544-A861 HydrophobicContact CZ3-CB 3.96Å; G857-A861 PolarHBondContact O-N 2.69Å; V858-A861 WeakPolarHBondContact O-CB 3.39Å; V858-A861 PolarHBondContact O-N 3.11Å; A861-F863 VanDerWaalsContact C-N 3.34Å; A861-F863 PolarHBondContact O-N 3.11Å; A861-I864 PolarHBondContact O-N 3.06Å; A861-D865 PolarHBondContact O-N 3.13Å; A861-L889 HydrophobicContact CB-CD1 4.08Å; A861-W1012 HydrophobicContact CB-CZ3 4.15Å; A861-W1012 VanDerWaalsContact O-CH2 3.25Å; A861-W1012 WeakPolarHBondContact O-CH2 3.29Å; A861-W1012 WeakPolarHBondContact O-CZ3 3.36Å
862	L	83.1	Confident	78.4	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.2	-34.7	177	-173.8	51.1	0	0	0	112.8	I540 W756 L760 I763 I804 V858 C859 F860 C866	I540-L862 HydrophobicContact CD1-CD2 4.19Å; I540-L862 HydrophobicContact CG1-CD2 4.03Å; I540-L862 HydrophobicContact CG2-CD2 3.9Å; W756-L862 HydrophobicContact CD2-CD1 4.43Å; W756-L862 HydrophobicContact CH2-CB 3.64Å; W756-L862 HydrophobicContact CH2-CD1 3.93Å; W756-L862 HydrophobicContact CH2-CD2 4.37Å; W756-L862 HydrophobicContact CH2-CG 4.18Å; W756-L862 HydrophobicContact CZ2-CB 3.91Å; W756-L862 HydrophobicContact CZ2-CD1 3.64Å; W756-L862 HydrophobicContact CZ2-CG 4.3Å; W756-L862 HydrophobicContact CZ3-CB 4.48Å; W756-L862 HydrophobicContact CZ3-CD1 4.41Å; W756-L862 HydrophobicContact CZ3-CD2 4.46Å; L760-L862 HydrophobicContact CB-CD1 4.34Å; I763-L862 HydrophobicContact CD1-CD2 3.48Å; I763-L862 VanDerWaalsContact CD1-CD2 3.48Å; I763-L862 HydrophobicContact CD1-CG 3.96Å; I804-L862 HydrophobicContact CD1-CD2 4.48Å; V858-L862 WeakPolarHBondContact O-CB 3.45Å; V858-L862 PolarHBondContact O-N 3.43Å; C859-L862 PolarHBondContact O-N 3.15Å; F860-L862 PolarHBondContact O-N 3.17Å; L862-C866 WeakPolarHBondContact O-CB 3.49Å; L862-C866 PolarHBondContact O-N 3.34Å; L862-C866 PolarHBondContact O-SG 2.87Å
863	F	89	Confident	79.8	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.7	-48.8	171.1	161.8	-118.7	0	0	0	112	I804 S807 L808 I811 F823 I827 W831 C859 F860 A861 D865 C866 V867	I804-F863 HydrophobicContact CG2-CB 4.12Å; S807-F863 WeakPolarHBondContact OG-CD2 3.27Å; S807-F863 WeakPolarHBondContact OG-CE2 3.39Å; L808-F863 HydrophobicContact CD2-CD2 4.3Å; L808-F863 HydrophobicContact CD2-CE2 4.44Å; L808-F863 HydrophobicContact CG-CD2 4.3Å; I811-F863 HydrophobicContact CD1-CE2 3.96Å; I811-F863 HydrophobicContact CD1-CZ 4.28Å; F823-F863 AromaticContact CE2-CZ 3.8Å; F823-F863 HydrophobicContact CE2-CZ 3.8Å; F823-F863 HydrophobicContact CZ-CE1 4.15Å; F823-F863 AromaticContact CZ-CZ 3.84Å; F823-F863 HydrophobicContact CZ-CZ 3.84Å; I827-F863 HydrophobicContact CG1-CE1 4.36Å; W831-F863 AromaticContact CE2-CD1 3.77Å; W831-F863 HydrophobicContact CH2-CB 3.64Å; W831-F863 HydrophobicContact CH2-CD1 4.23Å; W831-F863 HydrophobicContact CH2-CG 4.1Å; W831-F863 HydrophobicContact CZ2-CB 3.43Å; W831-F863 VanDerWaalsContact CZ2-CB 3.43Å; W831-F863 AromaticContact CZ2-CD1 3.5Å; W831-F863 HydrophobicContact CZ2-CD1 3.5Å; W831-F863 VanDerWaalsContact CZ2-CD1 3.5Å; W831-F863 HydrophobicContact CZ2-CD2 4.11Å; W831-F863 HydrophobicContact CZ2-CE1 4.27Å; W831-F863 AromaticContact CZ2-CG 3.39Å; W831-F863 HydrophobicContact CZ2-CG 3.39Å; W831-F863 AromaticContact NE1-CD1 3.96Å; W831-F863 AromaticContact NE1-CE1 3.85Å; C859-F863 WeakPolarHBondContact O-CB 3.49Å; C859-F863 PolarHBondContact O-N 3.25Å; F860-F863 AromaticContact CD2-CD1 3.99Å; F860-F863 HydrophobicContact CD2-CD1 3.99Å; F860-F863 HydrophobicContact CE2-CD1 4Å; F860-F863 HydrophobicContact CE2-CE1 4.19Å; F860-F863 WeakPolarHBondContact O-CB 3.45Å; F860-F863 PolarHBondContact O-N 2.99Å; A861-F863 VanDerWaalsContact C-N 3.34Å; A861-F863 PolarHBondContact O-N 3.11Å; F863-D865 VanDerWaalsContact C-N 3.28Å; F863-D865 PolarHBondContact O-N 3Å; F863-C866 WeakPolarHBondContact O-CB 3.4Å; F863-C866 PolarHBondContact O-N 3.28Å; F863-V867 HydrophobicContact CD2-CG2 3.79Å; F863-V867 HydrophobicContact CE2-CG2 3.29Å; F863-V867 HydrophobicContact CZ-CG2 3.78Å; F863-V867 WeakPolarHBondContact O-CG2 3.25Å; F863-V867 PolarHBondContact O-N 3.04Å
864	I	86.8	Confident	80.8	Confident	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.9	-34.5	179.3	-63	-61.5	0	0	0	111.2	F823 F860 A861 V867 H868 L885 L888 L889 W1012	F823-I864 HydrophobicContact CZ-CD1 4.34Å; F860-I864 HydrophobicContact CD1-CG1 4.11Å; F860-I864 HydrophobicContact CE1-CD1 4.2Å; F860-I864 HydrophobicContact CE1-CG1 3.81Å; F860-I864 HydrophobicContact CE2-CD1 4.34Å; F860-I864 HydrophobicContact CE2-CG1 4.47Å; F860-I864 HydrophobicContact CZ-CD1 3.92Å; F860-I864 HydrophobicContact CZ-CG1 4.02Å; F860-I864 WeakPolarHBondContact O-CG1 3.32Å; F860-I864 PolarHBondContact O-N 2.72Å; A861-I864 PolarHBondContact O-N 3.06Å; I864-V867 PolarHBondContact O-N 3.38Å; I864-H868 WeakPolarHBondContact O-CB 3.14Å; I864-H868 PolarHBondContact O-N 3.27Å; I864-L885 HydrophobicContact CD1-CD2 4.29Å; I864-L885 HydrophobicContact CG2-CB 3.93Å; I864-L885 HydrophobicContact CG2-CD2 4.44Å; I864-L888 HydrophobicContact CD1-CD2 3.71Å; I864-L888 HydrophobicContact CD1-CG 4.44Å; I864-L889 HydrophobicContact CG1-CD1 4.48Å; I864-L889 HydrophobicContact CG2-CB 4.49Å; I864-W1012 HydrophobicContact CB-CH2 3.99Å; I864-W1012 HydrophobicContact CB-CZ2 4.43Å; I864-W1012 HydrophobicContact CG2-CH2 3.9Å; I864-W1012 HydrophobicContact CG2-CZ2 3.85Å
865	D	82.8	Confident	81.2	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.8	-50.4	173.2	-162.2	-18.6	0	0	0	109.5	W756 L760 A861 F863 V867 H868 Q869 W1005 W1012	W756-D865 PolarHBondContact NE1-OD2 2.82Å; L760-D865 HydrophobicContact CD1-CB 4.14Å; L760-D865 VanDerWaalsContact CD1-CG 3.42Å; L760-D865 WeakPolarHBondContact CD1-OD1 3.33Å; A861-D865 PolarHBondContact O-N 3.13Å; F863-D865 VanDerWaalsContact C-N 3.28Å; F863-D865 PolarHBondContact O-N 3Å; D865-V867 VanDerWaalsContact C-N 3.26Å; D865-V867 PolarHBondContact O-N 2.77Å; D865-H868 WeakPolarHBondContact O-CA 3.36Å; D865-H868 WeakPolarHBondContact O-CB 3.25Å; D865-H868 PolarHBondContact O-N 3.04Å; D865-Q869 WeakPolarHBondContact O-CG 3.24Å; D865-Q869 PolarHBondContact O-N 2.79Å; D865-Q869 PolarHBondContact OD1-NE2 2.63Å; D865-W1005 PolarHBondContact OD2-NE1 2.77Å; D865-W1012 HydrophobicContact CB-CH2 3.74Å; D865-W1012 HydrophobicContact CB-CZ2 4.26Å; D865-W1012 HydrophobicContact CB-CZ3 4.34Å
866	C	87.7	Confident	81.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.2	-36.7	174.9	-67.5	0	0	0	0	113.4	L764 L808 L862 F863 L870	L764-C866 HydrophobicContact CD2-CB 4.04Å; L764-C866 HydrophobicContact CG-CB 4.47Å; L808-C866 HydrophobicContact CD1-CB 3.65Å; L808-C866 HydrophobicContact CD2-CB 3.64Å; L808-C866 HydrophobicContact CG-CB 4.26Å; L862-C866 WeakPolarHBondContact O-CB 3.49Å; L862-C866 PolarHBondContact O-N 3.34Å; L862-C866 PolarHBondContact O-SG 2.87Å; F863-C866 WeakPolarHBondContact O-CB 3.4Å; F863-C866 PolarHBondContact O-N 3.28Å; C866-L870 WeakPolarHBondContact O-CG 3.43Å; C866-L870 PolarHBondContact O-N 3.48Å
867	V	90.1	Very high	82.3	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.5	-38.1	174.8	175.9	0	0	0	0	111.8	L808 I811 F823 F863 I864 D865 Q869 L870 L871 F880 L885	L808-V867 HydrophobicContact CD2-CG2 3.99Å; I811-V867 HydrophobicContact CD1-CG2 3.77Å; F823-V867 HydrophobicContact CE2-CG1 3.85Å; F823-V867 HydrophobicContact CE2-CG2 4.04Å; F823-V867 HydrophobicContact CZ-CG1 3.98Å; F823-V867 HydrophobicContact CZ-CG2 4.3Å; F863-V867 HydrophobicContact CD2-CG2 3.79Å; F863-V867 HydrophobicContact CE2-CG2 3.29Å; F863-V867 HydrophobicContact CZ-CG2 3.78Å; F863-V867 WeakPolarHBondContact O-CG2 3.25Å; F863-V867 PolarHBondContact O-N 3.04Å; I864-V867 PolarHBondContact O-N 3.38Å; D865-V867 VanDerWaalsContact C-N 3.26Å; D865-V867 PolarHBondContact O-N 2.77Å; V867-Q869 VanDerWaalsContact C-N 3.34Å; V867-Q869 PolarHBondContact O-N 3.47Å; V867-L870 PolarHBondContact O-N 3.28Å; V867-L871 WeakPolarHBondContact O-CB 3.15Å; V867-L871 PolarHBondContact O-N 3.44Å; V867-F880 HydrophobicContact CG1-CE2 3.95Å; V867-F880 HydrophobicContact CG1-CZ 3.99Å; V867-L885 HydrophobicContact CG1-CD1 4.02Å; V867-L885 HydrophobicContact CG1-CD2 3.91Å
868	H	84.7	Confident	82.6	Confident	1 Å²	1	18 Å²	18	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-43.3	173.7	176.7	-125.1	0	0	0	111.7	I864 D865 L870 L871 I872 E882 L885	I864-H868 WeakPolarHBondContact O-CB 3.14Å; I864-H868 PolarHBondContact O-N 3.27Å; D865-H868 WeakPolarHBondContact O-CA 3.36Å; D865-H868 WeakPolarHBondContact O-CB 3.25Å; D865-H868 PolarHBondContact O-N 3.04Å; H868-L870 VanDerWaalsContact C-N 3.34Å; H868-L870 PolarHBondContact O-N 3.03Å; H868-L871 PolarHBondContact O-N 3.05Å; H868-I872 VanDerWaalsContact CE1-CD1 3.44Å; H868-I872 WeakPolarHBondContact CE1-CD1 3.41Å; H868-I872 VanDerWaalsContact NE2-CD1 3.32Å; H868-I872 WeakPolarHBondContact NE2-CD1 3.38Å; H868-I872 PolarHBondContact O-N 2.95Å; H868-E882 IonicContact CD2-OE2 2.69Å; H868-E882 IonicContact CE1-OE2 3.79Å; H868-E882 IonicContact NE2-OE1 2.7Å; H868-E882 IonicContact NE2-OE2 3.12Å; H868-E882 PolarHBondContact NE2-OE2 3.5Å; H868-L885 HydrophobicContact CB-CD1 4.1Å
869	Q	84.6	Confident	82.5	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-35.7	174.4	-52.5	-52.8	-36.9	0	0	112.5	L760 L764 D865 V867 Q873 Y1001	L760-Q869 HydrophobicContact CD1-CG 3.87Å; L760-Q869 HydrophobicContact CD2-CG 3.96Å; L760-Q869 HydrophobicContact CG-CG 4.49Å; L764-Q869 HydrophobicContact CD1-CB 4.47Å; D865-Q869 WeakPolarHBondContact O-CG 3.24Å; D865-Q869 PolarHBondContact O-N 2.79Å; D865-Q869 PolarHBondContact OD1-NE2 2.63Å; V867-Q869 VanDerWaalsContact C-N 3.34Å; V867-Q869 PolarHBondContact O-N 3.47Å; Q869-Q873 WeakPolarHBondContact O-CB 3.25Å; Q869-Q873 VanDerWaalsContact O-CG 3.27Å; Q869-Q873 WeakPolarHBondContact O-CG 3.42Å; Q869-Q873 PolarHBondContact O-N 3.01Å; Q869-Y1001 HydrophobicContact CB-CD1 4.06Å; Q869-Y1001 HydrophobicContact CB-CE1 3.8Å; Q869-Y1001 HydrophobicContact CG-CD1 3.67Å; Q869-Y1001 HydrophobicContact CG-CE1 3.88Å
870	L	87.6	Confident	82.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-41.1	172.7	-72.3	174	0	0	0	112	L764 L808 I811 I812 C866 V867 H868 Q873 F874 F878 L992 P994	L764-L870 HydrophobicContact CD2-CG 4.38Å; L808-L870 HydrophobicContact CD2-CD1 3.89Å; I811-L870 HydrophobicContact CG2-CD1 3.96Å; I812-L870 HydrophobicContact CG1-CD1 4.46Å; C866-L870 WeakPolarHBondContact O-CG 3.43Å; C866-L870 PolarHBondContact O-N 3.48Å; V867-L870 PolarHBondContact O-N 3.28Å; H868-L870 VanDerWaalsContact C-N 3.34Å; H868-L870 PolarHBondContact O-N 3.03Å; L870-Q873 PolarHBondContact O-N 2.82Å; L870-F874 HydrophobicContact CD2-CD2 4.41Å; L870-F874 HydrophobicContact CD2-CE2 4.26Å; L870-F874 WeakPolarHBondContact O-CB 2.96Å; L870-F874 WeakPolarHBondContact O-CD2 3.49Å; L870-F874 PolarHBondContact O-N 3.37Å; L870-F878 HydrophobicContact CB-CE2 4.06Å; L870-F878 HydrophobicContact CB-CZ 3.83Å; L870-L992 HydrophobicContact CD2-CD1 4.5Å; L870-P994 HydrophobicContact CD2-CB 3.79Å; L870-P994 HydrophobicContact CD2-CG 3.94Å
871	L	83.7	Confident	81.8	Confident	21 Å²	21	24.2 Å²	24.2	11%	0.11	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-45.3	176.3	-177.2	158.9	0	0	0	110.8	V867 H868 F874 P875 F878 F880 L885	V867-L871 WeakPolarHBondContact O-CB 3.15Å; V867-L871 PolarHBondContact O-N 3.44Å; H868-L871 PolarHBondContact O-N 3.05Å; L871-F874 CarbonylContact O-C 3.53Å; L871-F874 VanDerWaalsContact O-C 3.24Å; L871-F874 PolarHBondContact O-N 2.97Å; L871-P875 WeakPolarHBondContact O-CA 3.24Å; L871-F878 HydrophobicContact CB-CD2 4.29Å; L871-F880 HydrophobicContact CD1-CD2 3.91Å; L871-F880 HydrophobicContact CD1-CE2 4.01Å; L871-F880 WeakPolarHBondContact CD1-O 3.42Å; L871-L885 HydrophobicContact CD1-CD1 3.95Å
872	I	81	Confident	81.3	Confident	46 Å²	46	25.8 Å²	25.8	24%	0.236	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-38	177.2	-76	178.2	0	0	0	112.5	H868 F874 F1004	H868-I872 VanDerWaalsContact CE1-CD1 3.44Å; H868-I872 WeakPolarHBondContact CE1-CD1 3.41Å; H868-I872 VanDerWaalsContact NE2-CD1 3.32Å; H868-I872 WeakPolarHBondContact NE2-CD1 3.38Å; H868-I872 PolarHBondContact O-N 2.95Å; I872-F874 VanDerWaalsContact C-N 3.33Å; I872-F1004 HydrophobicContact CD1-CB 3.77Å; I872-F1004 HydrophobicContact CD1-CD1 3.99Å; I872-F1004 HydrophobicContact CD1-CG 3.92Å; I872-F1004 HydrophobicContact CG2-CD1 3.59Å; I872-F1004 HydrophobicContact CG2-CD2 3.69Å; I872-F1004 HydrophobicContact CG2-CE1 3.46Å; I872-F1004 VanDerWaalsContact CG2-CE1 3.46Å; I872-F1004 HydrophobicContact CG2-CE2 3.56Å; I872-F1004 HydrophobicContact CG2-CG 3.71Å; I872-F1004 HydrophobicContact CG2-CZ 3.44Å; I872-F1004 VanDerWaalsContact CG2-CZ 3.44Å
873	Q	83.3	Confident	80.4	Confident	32 Å²	32	28.6 Å²	28.6	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-74.8	-23.5	177.3	-70.6	-177.9	14.2	0	0	112.9	Q869 L870 I995	Q869-Q873 WeakPolarHBondContact O-CB 3.25Å; Q869-Q873 VanDerWaalsContact O-CG 3.27Å; Q869-Q873 WeakPolarHBondContact O-CG 3.42Å; Q869-Q873 PolarHBondContact O-N 3.01Å; L870-Q873 PolarHBondContact O-N 2.82Å; Q873-I995 PolarHBondContact NE2-O 3.19Å
874	F	84	Confident	79.5	Confident	42 Å²	42	30.1 Å²	30.1	18%	0.184	17%	0.17	C	C	.	.			trans	-137.2	59.8	-175.8	-55.7	-73.1	0	0	0	112.6	L870 L871 I872 T876 E877 F878 L992 P994	L870-F874 HydrophobicContact CD2-CD2 4.41Å; L870-F874 HydrophobicContact CD2-CE2 4.26Å; L870-F874 WeakPolarHBondContact O-CB 2.96Å; L870-F874 WeakPolarHBondContact O-CD2 3.49Å; L870-F874 PolarHBondContact O-N 3.37Å; L871-F874 CarbonylContact O-C 3.53Å; L871-F874 VanDerWaalsContact O-C 3.24Å; L871-F874 PolarHBondContact O-N 2.97Å; I872-F874 VanDerWaalsContact C-N 3.33Å; F874-T876 PolarHBondContact O-N 3.1Å; F874-E877 HydrophobicContact CB-CB 3.97Å; F874-E877 HydrophobicContact CB-CG 3.95Å; F874-E877 PolarHBondContact O-N 2.83Å; F874-F878 HydrophobicContact CB-CE2 4.33Å; F874-L992 HydrophobicContact CB-CD2 4.16Å; F874-L992 HydrophobicContact CD1-CD2 3.96Å; F874-L992 HydrophobicContact CD2-CB 4.35Å; F874-L992 HydrophobicContact CD2-CD1 4.04Å; F874-L992 HydrophobicContact CD2-CD2 3.85Å; F874-L992 HydrophobicContact CD2-CG 4.3Å; F874-L992 HydrophobicContact CE1-CD2 4.32Å; F874-L992 HydrophobicContact CE2-CB 4.06Å; F874-L992 HydrophobicContact CE2-CD2 4.22Å; F874-L992 HydrophobicContact CG-CD2 3.71Å; F874-L992 HydrophobicContact CZ-CB 4.44Å; F874-L992 HydrophobicContact CZ-CD2 4.45Å; F874-P994 HydrophobicContact CE2-CB 4.13Å
875	P	76	Confident	78.8	Confident	92 Å²	92	30.2 Å²	30.2	60%	0.597	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.2	-168.1	25.3	-35.5	0	0	0	114.5	L871	L871-P875 WeakPolarHBondContact O-CA 3.24Å
876	T	75.3	Confident	77.9	Confident	112 Å²	112	31.1 Å²	31.1	69%	0.687	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.9	177.3	57.5	0	0	0	0	114.2	F874	F874-T876 PolarHBondContact O-N 3.1Å
877	E	79.7	Confident	76.6	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.065	19%	0.194	C	C	.	.	S	Bend	trans	-99	-7.7	-174.2	-64.1	-77.5	132	0	0	113	R818 F874 L992	R818-E877 VanDerWaalsContact CB-O 3.31Å; R818-E877 WeakPolarHBondContact CB-O 3.36Å; R818-E877 WeakPolarHBondContact CD-O 3.29Å; R818-E877 IonicContact CZ-OE2 2.67Å; R818-E877 PolarHBondContact NE-O 3.16Å; R818-E877 IonicContact NH1-OE2 2.72Å; R818-E877 PolarHBondContact NH1-OE2 2.6Å; R818-E877 PolarHBondContact NH2-O 3.33Å; R818-E877 IonicContact NH2-OE2 2.9Å; R818-E877 PolarHBondContact NH2-OE2 2.88Å; F874-E877 HydrophobicContact CB-CB 3.97Å; F874-E877 HydrophobicContact CB-CG 3.95Å; F874-E877 PolarHBondContact O-N 2.83Å; E877-L992 HydrophobicContact CB-CD2 4.26Å; E877-L992 HydrophobicContact CG-CD2 4.12Å
878	F	77.3	Confident	75.7	Confident	15 Å²	15	35 Å²	35	7%	0.066	20%	0.197	C	C	.	.			trans	-113.4	144.6	179.8	-68.9	-88.2	0	0	0	111.8	I811 R818 L870 L871 F874 F880 L992	I811-F878 HydrophobicContact CG2-CE1 3.7Å; I811-F878 HydrophobicContact CG2-CZ 3.73Å; R818-F878 HydrophobicContact CB-CD1 3.7Å; R818-F878 HydrophobicContact CB-CE1 4Å; R818-F878 HydrophobicContact CB-CG 4.32Å; R818-F878 HydrophobicContact CG-CD1 4.06Å; R818-F878 HydrophobicContact CG-CE1 3.82Å; R818-F878 HydrophobicContact CG-CZ 4.35Å; L870-F878 HydrophobicContact CB-CE2 4.06Å; L870-F878 HydrophobicContact CB-CZ 3.83Å; L871-F878 HydrophobicContact CB-CD2 4.29Å; F874-F878 HydrophobicContact CB-CE2 4.33Å; F878-F880 AromaticContact CD1-CE1 3.83Å; F878-F880 HydrophobicContact CD1-CE1 3.83Å; F878-F880 AromaticContact CD1-CE2 3.89Å; F878-F880 HydrophobicContact CD1-CE2 3.89Å; F878-F880 AromaticContact CD1-CZ 3.38Å; F878-F880 HydrophobicContact CD1-CZ 3.38Å; F878-F880 AromaticContact CE1-CZ 3.89Å; F878-F880 HydrophobicContact CE1-CZ 3.89Å; F878-F880 HydrophobicContact CG-CE2 4.49Å; F878-F880 HydrophobicContact CG-CZ 4.33Å; F878-L992 HydrophobicContact CE2-CD1 4.07Å; F878-L992 HydrophobicContact CZ-CD1 3.94Å
879	A	74.6	Confident	74.9	Confident	39 Å²	39	35 Å²	35	32%	0.322	20%	0.197	S	C	.	.	S	Bend	trans	-93.3	-4.5	178.2	0	0	0	0	0	114.1	R818 I820 I984	R818-A879 PolarHBondContact O-N 2.89Å; I820-A879 HydrophobicContact CG1-CB 4.29Å; A879-I984 HydrophobicContact CB-CD1 3.66Å
880	F	74.2	Confident	73.6	Confident	12 Å²	12	36 Å²	36	5%	0.053	20%	0.202	C	C	.	.	S	Bend	trans	-115.5	150	179.6	51.9	-100.8	0	0	0	110.6	I820 F823 V867 L871 F878 Y884 L885	I820-F880 HydrophobicContact CG1-CB 4.14Å; F823-F880 HydrophobicContact CB-CD1 4.27Å; F823-F880 HydrophobicContact CB-CE1 3.69Å; F823-F880 HydrophobicContact CB-CZ 4.49Å; F823-F880 HydrophobicContact CD1-CE1 4.08Å; F823-F880 HydrophobicContact CD1-CZ 4.27Å; F823-F880 AromaticContact CD2-CE1 3.74Å; F823-F880 HydrophobicContact CD2-CE1 3.74Å; F823-F880 AromaticContact CD2-CZ 3.7Å; F823-F880 HydrophobicContact CD2-CZ 3.7Å; F823-F880 HydrophobicContact CE1-CZ 4.38Å; F823-F880 HydrophobicContact CE2-CE1 4.35Å; F823-F880 AromaticContact CE2-CZ 3.85Å; F823-F880 HydrophobicContact CE2-CZ 3.85Å; F823-F880 HydrophobicContact CG-CD1 4.36Å; F823-F880 AromaticContact CG-CE1 3.58Å; F823-F880 HydrophobicContact CG-CE1 3.58Å; F823-F880 AromaticContact CG-CZ 3.92Å; F823-F880 HydrophobicContact CG-CZ 3.92Å; F823-F880 HydrophobicContact CZ-CZ 4.19Å; V867-F880 HydrophobicContact CG1-CE2 3.95Å; V867-F880 HydrophobicContact CG1-CZ 3.99Å; L871-F880 HydrophobicContact CD1-CD2 3.91Å; L871-F880 HydrophobicContact CD1-CE2 4.01Å; L871-F880 WeakPolarHBondContact CD1-O 3.42Å; F878-F880 AromaticContact CD1-CE1 3.83Å; F878-F880 HydrophobicContact CD1-CE1 3.83Å; F878-F880 AromaticContact CD1-CE2 3.89Å; F878-F880 HydrophobicContact CD1-CE2 3.89Å; F878-F880 AromaticContact CD1-CZ 3.38Å; F878-F880 HydrophobicContact CD1-CZ 3.38Å; F878-F880 AromaticContact CE1-CZ 3.89Å; F878-F880 HydrophobicContact CE1-CZ 3.89Å; F878-F880 HydrophobicContact CG-CE2 4.49Å; F878-F880 HydrophobicContact CG-CZ 4.33Å; F880-Y884 HydrophobicContact CB-CD1 3.75Å; F880-Y884 HydrophobicContact CB-CE1 4.36Å; F880-Y884 HydrophobicContact CB-CG 3.87Å; F880-Y884 HydrophobicContact CD2-CD1 4.1Å; F880-Y884 AromaticContact CG-CD1 3.94Å; F880-Y884 HydrophobicContact CG-CD1 3.94Å; F880-Y884 HydrophobicContact CG-CE1 4.34Å; F880-L885 HydrophobicContact CD2-CD2 4.12Å; F880-L885 HydrophobicContact CD2-CG 4.16Å; F880-L885 HydrophobicContact CE2-CD1 4.2Å; F880-L885 HydrophobicContact CE2-CD2 3.74Å; F880-L885 HydrophobicContact CE2-CG 4.07Å
881	T	73.6	Confident	72.2	Confident	82 Å²	82	36.6 Å²	36.6	50%	0.503	21%	0.206	S	C	.	.			trans	-88	173.7	177	67.7	0	0	0	0	111.7	D883 Y884	T881-D883 PolarHBondContact O-N 3.18Å; T881-D883 PolarHBondContact OG1-N 3.43Å; T881-D883 PolarHBondContact OG1-OD2 2.96Å; T881-Y884 WeakPolarHBondContact O-CB 3.33Å; T881-Y884 PolarHBondContact O-N 3.03Å
882	E	68.9	Low	71.2	Confident	33 Å²	33	36.9 Å²	36.9	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-36.6	169.7	-178.3	-178.1	133.4	0	0	112.2	H868 Y884 L885 V886 R1011	H868-E882 IonicContact CD2-OE2 2.69Å; H868-E882 IonicContact CE1-OE2 3.79Å; H868-E882 IonicContact NE2-OE1 2.7Å; H868-E882 IonicContact NE2-OE2 3.12Å; H868-E882 PolarHBondContact NE2-OE2 3.5Å; E882-Y884 PolarHBondContact O-N 2.99Å; E882-L885 WeakPolarHBondContact O-CA 3.38Å; E882-L885 WeakPolarHBondContact O-CB 3.32Å; E882-L885 PolarHBondContact O-N 3.05Å; E882-V886 HydrophobicContact CG-CG2 4.31Å; E882-V886 PolarHBondContact O-N 3.48Å; E882-R1011 VanDerWaalsContact CD-NH1 3.27Å; E882-R1011 WeakPolarHBondContact OE1-CD 3.35Å; E882-R1011 IonicContact OE1-CZ 3.02Å; E882-R1011 IonicContact OE1-NE 3.15Å; E882-R1011 PolarHBondContact OE1-NE 3.22Å; E882-R1011 IonicContact OE1-NH1 3.46Å; E882-R1011 PolarHBondContact OE1-NH1 3.17Å
883	D	63.2	Low	70.1	Confident	59 Å²	59	35.1 Å²	35.1	32%	0.316	20%	0.203	S	C	.	.	H	α-helix	trans	-67.8	-28.3	-175.2	-35.6	-72.4	0	0	0	111.8	T881 V886 L887 R1011	T881-D883 PolarHBondContact O-N 3.18Å; T881-D883 PolarHBondContact OG1-N 3.43Å; T881-D883 PolarHBondContact OG1-OD2 2.96Å; D883-V886 PolarHBondContact O-N 2.8Å; D883-L887 VanDerWaalsContact O-CB 3.25Å; D883-L887 WeakPolarHBondContact O-CB 3.06Å; D883-L887 PolarHBondContact O-N 3.36Å; D883-R1011 IonicContact OD1-CZ 2.66Å; D883-R1011 VanDerWaalsContact OD1-CZ 3.26Å; D883-R1011 IonicContact OD1-NH1 3.92Å; D883-R1011 PolarHBondContact OD1-NH1 2.84Å; D883-R1011 IonicContact OD1-NH2 2.85Å; D883-R1011 PolarHBondContact OD1-NH2 3Å
884	Y	70.5	Confident	68.5	Low	32 Å²	32	35.3 Å²	35.3	13%	0.125	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-42.2	168.5	174.6	-87.1	0	0	0	111.7	I820 F823 E824 F880 T881 E882 L887 L888 F902	I820-Y884 HydrophobicContact CG2-CE2 4.08Å; F823-Y884 AromaticContact CD1-CE1 3.77Å; F823-Y884 HydrophobicContact CD1-CE1 3.77Å; F823-Y884 AromaticContact CE1-CE1 3.97Å; F823-Y884 HydrophobicContact CE1-CE1 3.97Å; E824-Y884 WeakPolarHBondContact CG-OH 3.4Å; E824-Y884 PolarHBondContact OE1-OH 3.49Å; E824-Y884 VanDerWaalsContact OE1-OH 3.04Å; F880-Y884 HydrophobicContact CB-CD1 3.75Å; F880-Y884 HydrophobicContact CB-CE1 4.36Å; F880-Y884 HydrophobicContact CB-CG 3.87Å; F880-Y884 HydrophobicContact CD2-CD1 4.1Å; F880-Y884 AromaticContact CG-CD1 3.94Å; F880-Y884 HydrophobicContact CG-CD1 3.94Å; F880-Y884 HydrophobicContact CG-CE1 4.34Å; T881-Y884 WeakPolarHBondContact O-CB 3.33Å; T881-Y884 PolarHBondContact O-N 3.03Å; E882-Y884 PolarHBondContact O-N 2.99Å; Y884-L887 PolarHBondContact O-N 3.16Å; Y884-L888 HydrophobicContact CE1-CD2 4.39Å; Y884-L888 VanDerWaalsContact O-CB 3.23Å; Y884-L888 WeakPolarHBondContact O-CB 3.37Å; Y884-L888 PolarHBondContact O-N 3.04Å; Y884-F902 HydrophobicContact CE2-CE2 4.28Å; Y884-F902 AromaticContact CE2-CZ 3.8Å; Y884-F902 HydrophobicContact CE2-CZ 3.8Å
885	L	71.6	Confident	66.7	Low	3 Å²	3	38.2 Å²	38.2	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-40.6	176.4	-64.4	177.3	0	0	0	111.7	F823 I864 V867 H868 L871 F880 E882 L888 L889	F823-L885 HydrophobicContact CE1-CD2 3.97Å; F823-L885 HydrophobicContact CZ-CD2 3.88Å; I864-L885 HydrophobicContact CD1-CD2 4.29Å; I864-L885 HydrophobicContact CG2-CB 3.93Å; I864-L885 HydrophobicContact CG2-CD2 4.44Å; V867-L885 HydrophobicContact CG1-CD1 4.02Å; V867-L885 HydrophobicContact CG1-CD2 3.91Å; H868-L885 HydrophobicContact CB-CD1 4.1Å; L871-L885 HydrophobicContact CD1-CD1 3.95Å; F880-L885 HydrophobicContact CD2-CD2 4.12Å; F880-L885 HydrophobicContact CD2-CG 4.16Å; F880-L885 HydrophobicContact CE2-CD1 4.2Å; F880-L885 HydrophobicContact CE2-CD2 3.74Å; F880-L885 HydrophobicContact CE2-CG 4.07Å; E882-L885 WeakPolarHBondContact O-CA 3.38Å; E882-L885 WeakPolarHBondContact O-CB 3.32Å; E882-L885 PolarHBondContact O-N 3.05Å; L885-L888 PolarHBondContact O-N 2.78Å; L885-L889 WeakPolarHBondContact O-CB 3.38Å; L885-L889 PolarHBondContact O-N 3.49Å
886	V	63.6	Low	64.8	Low	19 Å²	19	36.3 Å²	36.3	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-44.2	175.2	177	0	0	0	0	111	E882 D883 L888 L889 D890 R1011	E882-V886 HydrophobicContact CG-CG2 4.31Å; E882-V886 PolarHBondContact O-N 3.48Å; D883-V886 PolarHBondContact O-N 2.8Å; V886-L888 PolarHBondContact O-N 3.36Å; V886-L889 PolarHBondContact O-N 3.32Å; V886-D890 WeakPolarHBondContact O-CB 3.32Å; V886-D890 PolarHBondContact O-N 3.08Å; V886-R1011 HydrophobicContact CG2-CB 4.34Å
887	L	61.7	Low	62.5	Low	72 Å²	72	32 Å²	32	38%	0.377	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-43.3	175.9	177.7	64.1	0	0	0	112	D883 Y884 D890 S891	D883-L887 VanDerWaalsContact O-CB 3.25Å; D883-L887 WeakPolarHBondContact O-CB 3.06Å; D883-L887 PolarHBondContact O-N 3.36Å; Y884-L887 PolarHBondContact O-N 3.16Å; L887-D890 PolarHBondContact O-N 2.82Å; L887-S891 WeakPolarHBondContact O-CB 3.24Å; L887-S891 PolarHBondContact O-N 3.12Å; L887-S891 PolarHBondContact O-OG 3Å
888	L	70	Confident	60.1	Low	9 Å²	9	32.6 Å²	32.6	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-45.3	176.1	176	63.2	0	0	0	110.9	F823 I827 F860 I864 Y884 L885 V886 S891 A892 F902	F823-L888 HydrophobicContact CE1-CD2 3.76Å; I827-L888 HydrophobicContact CD1-CD1 4.4Å; I827-L888 HydrophobicContact CD1-CD2 3.53Å; F860-L888 HydrophobicContact CE1-CG 4.28Å; F860-L888 HydrophobicContact CZ-CD1 4.23Å; F860-L888 HydrophobicContact CZ-CD2 4.07Å; F860-L888 HydrophobicContact CZ-CG 3.92Å; I864-L888 HydrophobicContact CD1-CD2 3.71Å; I864-L888 HydrophobicContact CD1-CG 4.44Å; Y884-L888 HydrophobicContact CE1-CD2 4.39Å; Y884-L888 VanDerWaalsContact O-CB 3.23Å; Y884-L888 WeakPolarHBondContact O-CB 3.37Å; Y884-L888 PolarHBondContact O-N 3.04Å; L885-L888 PolarHBondContact O-N 2.78Å; V886-L888 PolarHBondContact O-N 3.36Å; L888-S891 PolarHBondContact O-N 3.36Å; L888-S891 PolarHBondContact O-OG 3.14Å; L888-A892 WeakPolarHBondContact O-CB 3.49Å; L888-A892 PolarHBondContact O-N 3.5Å; L888-F902 HydrophobicContact CD1-CD2 4.34Å; L888-F902 HydrophobicContact CD1-CG 4.34Å
889	L	68.7	Low	57.8	Low	1 Å²	1	36.7 Å²	36.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-47	176.3	-173.2	72.8	0	0	0	112.3	F860 A861 I864 L885 V886 S891 A892 L893 W1012	F860-L889 HydrophobicContact CD1-CD1 4.36Å; A861-L889 HydrophobicContact CB-CD1 4.08Å; I864-L889 HydrophobicContact CG1-CD1 4.48Å; I864-L889 HydrophobicContact CG2-CB 4.49Å; L885-L889 WeakPolarHBondContact O-CB 3.38Å; L885-L889 PolarHBondContact O-N 3.49Å; V886-L889 PolarHBondContact O-N 3.32Å; L889-S891 VanDerWaalsContact C-N 3.28Å; L889-S891 PolarHBondContact O-N 3.45Å; L889-A892 PolarHBondContact O-N 2.79Å; L889-L893 HydrophobicContact CD1-CD1 3.75Å; L889-L893 HydrophobicContact CD1-CG 4.08Å; L889-L893 HydrophobicContact CD2-CD1 4.46Å; L889-L893 HydrophobicContact CG-CD1 3.86Å; L889-L893 HydrophobicContact CG-CG 4.32Å; L889-L893 VanDerWaalsContact O-CB 3.3Å; L889-L893 WeakPolarHBondContact O-CB 3.37Å; L889-L893 WeakPolarHBondContact O-CG 3.18Å; L889-L893 PolarHBondContact O-N 3.39Å; L889-W1012 HydrophobicContact CD1-CZ3 4.38Å; L889-W1012 HydrophobicContact CD2-CD2 3.55Å; L889-W1012 HydrophobicContact CD2-CE3 3.36Å; L889-W1012 HydrophobicContact CD2-CG 4.23Å; L889-W1012 HydrophobicContact CD2-CH2 3.81Å; L889-W1012 HydrophobicContact CD2-CZ2 4.04Å; L889-W1012 HydrophobicContact CD2-CZ3 3.49Å; L889-W1012 VanDerWaalsContact CD2-CZ3 3.49Å
890	D	58.1	Low	55.8	Low	20 Å²	20	36.1 Å²	36.1	11%	0.107	22%	0.221	C	C	.	.	H	α-helix	trans	-53.8	-47.5	173.1	-102.8	17.2	0	0	0	109.7	V886 L887 L893 S894 R1014 S1015	V886-D890 WeakPolarHBondContact O-CB 3.32Å; V886-D890 PolarHBondContact O-N 3.08Å; L887-D890 PolarHBondContact O-N 2.82Å; D890-L893 PolarHBondContact O-N 3.21Å; D890-S894 WeakPolarHBondContact O-CA 3.35Å; D890-S894 WeakPolarHBondContact O-CB 3.36Å; D890-S894 PolarHBondContact O-N 3.14Å; D890-S894 PolarHBondContact O-OG 2.98Å; D890-R1014 WeakPolarHBondContact OD2-CD 3.22Å; D890-R1014 IonicContact OD2-CZ 2.8Å; D890-R1014 IonicContact OD2-NE 3.55Å; D890-R1014 PolarHBondContact OD2-NE 2.81Å; D890-S1015 WeakPolarHBondContact OD1-CA 3.4Å; D890-S1015 WeakPolarHBondContact OD1-CB 3.49Å; D890-S1015 PolarHBondContact OD1-N 3Å; D890-S1015 PolarHBondContact OD1-OG 2.89Å
891	S	57.3	Low	53.9	Low	13 Å²	13	36.6 Å²	36.6	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-45.9	-180	78.7	0	0	0	0	112.7	L887 L888 L889 L893 S894	L887-S891 WeakPolarHBondContact O-CB 3.24Å; L887-S891 PolarHBondContact O-N 3.12Å; L887-S891 PolarHBondContact O-OG 3Å; L888-S891 PolarHBondContact O-N 3.36Å; L888-S891 PolarHBondContact O-OG 3.14Å; L889-S891 VanDerWaalsContact C-N 3.28Å; L889-S891 PolarHBondContact O-N 3.45Å; S891-L893 PolarHBondContact O-N 3.23Å; S891-S894 PolarHBondContact O-N 2.71Å; S891-S894 PolarHBondContact O-OG 3.27Å
892	A	62.2	Low	52.1	Low	28 Å²	28	35.6 Å²	35.6	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-31.6	-179.1	0	0	0	0	0	113.1	F838 F860 L888 L889	F838-A892 HydrophobicContact CD1-CB 4.18Å; F838-A892 HydrophobicContact CE1-CB 4.04Å; F860-A892 HydrophobicContact CD1-CB 3.82Å; F860-A892 HydrophobicContact CE1-CB 3.51Å; F860-A892 HydrophobicContact CZ-CB 4.38Å; L888-A892 WeakPolarHBondContact O-CB 3.49Å; L888-A892 PolarHBondContact O-N 3.5Å; L889-A892 PolarHBondContact O-N 2.79Å
893	L	59.4	Low	50.3	Low	9 Å²	9	35.3 Å²	35.3	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-93	-9.7	179.2	-64	-172.4	0	0	0	114	L889 D890 S891 R895 T1019	L889-L893 HydrophobicContact CD1-CD1 3.75Å; L889-L893 HydrophobicContact CD1-CG 4.08Å; L889-L893 HydrophobicContact CD2-CD1 4.46Å; L889-L893 HydrophobicContact CG-CD1 3.86Å; L889-L893 HydrophobicContact CG-CG 4.32Å; L889-L893 VanDerWaalsContact O-CB 3.3Å; L889-L893 WeakPolarHBondContact O-CB 3.37Å; L889-L893 WeakPolarHBondContact O-CG 3.18Å; L889-L893 PolarHBondContact O-N 3.39Å; D890-L893 PolarHBondContact O-N 3.21Å; S891-L893 PolarHBondContact O-N 3.23Å; L893-R895 PolarHBondContact O-N 3.33Å; L893-T1019 HydrophobicContact CB-CG2 3.77Å; L893-T1019 HydrophobicContact CD1-CG2 4.26Å; L893-T1019 HydrophobicContact CG-CG2 4.41Å
894	S	47.8	Very low	48.8	Very low	36 Å²	36	35.2 Å²	35.2	25%	0.252	21%	0.214	S	C	.	.			trans	-72.3	81.8	-179.6	64.5	0	0	0	0	113.2	D890 S891 G896	D890-S894 WeakPolarHBondContact O-CA 3.35Å; D890-S894 WeakPolarHBondContact O-CB 3.36Å; D890-S894 PolarHBondContact O-N 3.14Å; D890-S894 PolarHBondContact O-OG 2.98Å; S891-S894 PolarHBondContact O-N 2.71Å; S891-S894 PolarHBondContact O-OG 3.27Å; S894-G896 VanDerWaalsContact C-N 3.33Å; S894-G896 PolarHBondContact O-N 3.44Å
895	R	47.5	Very low	46.9	Very low	103 Å²	103	37 Å²	37	39%	0.389	22%	0.223	S	C	.	.			trans	-68.9	80.5	179.5	-64.3	-178.7	-172.9	-168.2	3.6	113.1	Y854 D856 L893	Y854-R895 PolarHBondContact OH-NH2 2.64Å; Y854-R895 VanDerWaalsContact OH-NH2 3.11Å; D856-R895 VanDerWaalsContact CA-NH2 3.25Å; D856-R895 PolarHBondContact O-NH2 2.95Å; D856-R895 IonicContact OD1-CZ 2.68Å; D856-R895 VanDerWaalsContact OD1-CZ 3.25Å; D856-R895 IonicContact OD1-NH1 2.63Å; D856-R895 PolarHBondContact OD1-NH1 3.23Å; D856-R895 IonicContact OD1-NH2 3.86Å; D856-R895 PolarHBondContact OD1-NH2 3.22Å; L893-R895 PolarHBondContact O-N 3.33Å
896	G	35.5	Very low	45.1	Very low	51 Å²	51	39.2 Å²	39.2	53%	0.526	23%	0.233	S	C	.	.	S	Bend	trans	96.8	32.8	155.8	0	0	0	0	0	117.9	S894	S894-G896 VanDerWaalsContact C-N 3.33Å; S894-G896 PolarHBondContact O-N 3.44Å
897	G	26.8	Very low	43.5	Very low	23 Å²	23	39.3 Å²	39.3	24%	0.237	23%	0.234	C	C	.	.	S	Bend	trans	-145.1	109	174.4	0	0	0	0	0	114.6
898	G	29	Very low	41.9	Very low	25 Å²	25	38.4 Å²	38.4	26%	0.258	23%	0.233	S	C	.	.	S	Bend	trans	70.4	63.3	160.7	0	0	0	0	0	116.7	P900 N959	G898-P900 WeakPolarHBondContact O-CD 3.42Å; G898-N959 PolarHBondContact O-ND2 3.42Å
899	T	28.7	Very low	40	Very low	101 Å²	101	41.9 Å²	41.9	62%	0.62	26%	0.258	S	S	*	.			trans	-28	115.9	179.2	49.3	0	0	0	0	117.3	T903	T899-T903 HydrophobicContact CG2-CG2 3.98Å
900	P	33.9	Very low	38.3	Very low	27 Å²	27	43.4 Å²	43.4	18%	0.175	27%	0.269	C	S	.	.			trans	-90.8	161.1	153.2	-6.7	27.3	0	0	0	111.6	G898 F902 T903	G898-P900 WeakPolarHBondContact O-CD 3.42Å; P900-F902 PolarHBondContact O-N 3.1Å; P900-T903 VanDerWaalsContact O-CB 3.25Å; P900-T903 WeakPolarHBondContact O-CB 3.34Å; P900-T903 PolarHBondContact O-N 2.81Å; P900-T903 VanDerWaalsContact O-N 3.07Å; P900-T903 PolarHBondContact O-OG1 3.42Å
901	P	34.5	Very low	36.9	Very low	23 Å²	23	45.5 Å²	45.5	15%	0.149	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.2	-149	-22.9	39.2	0	0	0	120.2	T903 I904 F942 W960	P901-T903 PolarHBondContact O-N 2.99Å; P901-I904 PolarHBondContact O-N 2.9Å; P901-F942 HydrophobicContact CB-CE1 4.11Å; P901-F942 HydrophobicContact CB-CE2 3.89Å; P901-F942 HydrophobicContact CB-CZ 3.36Å; P901-F942 HydrophobicContact CG-CZ 4.26Å; P901-W960 HydrophobicContact CB-CH2 4.08Å; P901-W960 HydrophobicContact CB-CZ2 4.08Å; P901-W960 VanDerWaalsContact CD-CZ2 3.4Å; P901-W960 VanDerWaalsContact CD-NE1 3.34Å; P901-W960 HydrophobicContact CG-CD2 3.75Å; P901-W960 VanDerWaalsContact CG-CE2 3.48Å; P901-W960 HydrophobicContact CG-CE3 3.95Å; P901-W960 HydrophobicContact CG-CG 4.5Å; P901-W960 HydrophobicContact CG-CH2 3.71Å; P901-W960 HydrophobicContact CG-CZ2 3.49Å; P901-W960 VanDerWaalsContact CG-CZ2 3.49Å; P901-W960 HydrophobicContact CG-CZ3 3.93Å
902	F	34.4	Very low	35.6	Very low	61 Å²	61	47.6 Å²	47.6	27%	0.268	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.9	162.4	-70.6	-66.9	0	0	0	111.9	E824 Y884 L888 P900 I904	E824-F902 HydrophobicContact CG-CE1 4.11Å; E824-F902 WeakPolarHBondContact OE1-CE1 3.23Å; E824-F902 WeakPolarHBondContact OE1-CZ 3.22Å; Y884-F902 HydrophobicContact CE2-CE2 4.28Å; Y884-F902 AromaticContact CE2-CZ 3.8Å; Y884-F902 HydrophobicContact CE2-CZ 3.8Å; L888-F902 HydrophobicContact CD1-CD2 4.34Å; L888-F902 HydrophobicContact CD1-CG 4.34Å; P900-F902 PolarHBondContact O-N 3.1Å; F902-I904 PolarHBondContact O-N 3.41Å
903	T	32.1	Very low	34.2	Very low	27 Å²	27	49.2 Å²	49.2	17%	0.166	31%	0.31	C	S	.	.	H	α-helix	trans	-71.3	-5.5	177	-44.2	0	0	0	0	113.3	T899 P900 P901 F906 S907	T899-T903 HydrophobicContact CG2-CG2 3.98Å; P900-T903 VanDerWaalsContact O-CB 3.25Å; P900-T903 WeakPolarHBondContact O-CB 3.34Å; P900-T903 PolarHBondContact O-N 2.81Å; P900-T903 VanDerWaalsContact O-N 3.07Å; P900-T903 PolarHBondContact O-OG1 3.42Å; P901-T903 PolarHBondContact O-N 2.99Å; T903-F906 HydrophobicContact CG2-CB 4.49Å; T903-S907 WeakPolarHBondContact O-CA 3.42Å; T903-S907 WeakPolarHBondContact O-CB 3.44Å; T903-S907 PolarHBondContact O-N 3.21Å; T903-S907 PolarHBondContact O-OG 2.73Å
904	I	31.5	Very low	32.8	Very low	57 Å²	57	54.1 Å²	54.1	29%	0.292	33%	0.327	S	S	.	.	H	α-helix	trans	-70.4	-36.7	-179.8	-66.3	-178.3	0	0	0	113.2	P901 F902 C908	P901-I904 PolarHBondContact O-N 2.9Å; F902-I904 PolarHBondContact O-N 3.41Å; I904-C908 WeakPolarHBondContact O-CB 3.36Å; I904-C908 PolarHBondContact O-N 2.65Å; I904-C908 PolarHBondContact O-SG 3.17Å
905	E	31.5	Very low	32	Very low	68 Å²	68	55.4 Å²	55.4	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-84.4	-31.6	170	-74.4	-164.3	144.6	0	0	112.7	C908 S909 W939	E905-C908 PolarHBondContact O-N 2.76Å; E905-S909 WeakPolarHBondContact O-CB 3.41Å; E905-S909 PolarHBondContact O-N 3.39Å; E905-W939 HydrophobicContact CG-CE3 4.12Å; E905-W939 HydrophobicContact CG-CZ3 3.93Å; E905-W939 VanDerWaalsContact OE1-CE3 3.23Å; E905-W939 WeakPolarHBondContact OE1-CZ3 3.29Å
906	F	33.4	Very low	31.4	Very low	50 Å²	50	56.7 Å²	56.7	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-39.9	173.7	-99.9	-67.6	0	0	0	113.2	I832 F838 T903 C910	I832-F906 HydrophobicContact CD1-CD2 4.22Å; I832-F906 HydrophobicContact CD1-CE2 3.56Å; I832-F906 HydrophobicContact CD1-CZ 3.91Å; I832-F906 HydrophobicContact CG1-CE2 3.81Å; I832-F906 HydrophobicContact CG1-CZ 3.65Å; F838-F906 HydrophobicContact CB-CD1 4.32Å; F838-F906 HydrophobicContact CB-CE1 3.79Å; F838-F906 HydrophobicContact CD1-CE1 4.2Å; F838-F906 HydrophobicContact CD1-CZ 4.16Å; F838-F906 HydrophobicContact CD2-CD1 4.39Å; F838-F906 AromaticContact CD2-CE1 3.19Å; F838-F906 HydrophobicContact CD2-CE1 3.19Å; F838-F906 HydrophobicContact CD2-CE2 4.47Å; F838-F906 AromaticContact CD2-CZ 3.26Å; F838-F906 HydrophobicContact CD2-CZ 3.26Å; F838-F906 HydrophobicContact CE1-CZ 4.11Å; F838-F906 AromaticContact CE2-CE1 3.69Å; F838-F906 HydrophobicContact CE2-CE1 3.69Å; F838-F906 HydrophobicContact CE2-CE2 4.21Å; F838-F906 AromaticContact CE2-CZ 3.19Å; F838-F906 HydrophobicContact CE2-CZ 3.19Å; F838-F906 HydrophobicContact CG-CD1 4.34Å; F838-F906 AromaticContact CG-CE1 3.48Å; F838-F906 HydrophobicContact CG-CE1 3.48Å; F838-F906 VanDerWaalsContact CG-CE1 3.48Å; F838-F906 AromaticContact CG-CZ 3.76Å; F838-F906 HydrophobicContact CG-CZ 3.76Å; F838-F906 HydrophobicContact CZ-CE1 4.38Å; F838-F906 HydrophobicContact CZ-CE2 4.28Å; F838-F906 AromaticContact CZ-CZ 3.65Å; F838-F906 HydrophobicContact CZ-CZ 3.65Å; T903-F906 HydrophobicContact CG2-CB 4.49Å; F906-C910 VanDerWaalsContact O-CB 3.31Å; F906-C910 WeakPolarHBondContact O-CB 3.42Å
907	S	29	Very low	31.1	Very low	21 Å²	21	59.5 Å²	59.5	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-72.6	157.9	-87.9	0	0	0	0	109.1	T903 S909 C910 E911	T903-S907 WeakPolarHBondContact O-CA 3.42Å; T903-S907 WeakPolarHBondContact O-CB 3.44Å; T903-S907 PolarHBondContact O-N 3.21Å; T903-S907 PolarHBondContact O-OG 2.73Å; S907-S909 CarbonylContact O-C 3.57Å; S907-S909 PolarHBondContact O-N 3.47Å; S907-C910 CarbonylContact O-C 3.59Å; S907-C910 WeakPolarHBondContact O-CA 3.46Å; S907-C910 PolarHBondContact O-N 2.97Å; S907-E911 WeakPolarHBondContact CB-OE2 3.16Å; S907-E911 WeakPolarHBondContact O-CA 3.19Å; S907-E911 VanDerWaalsContact O-CB 3.27Å; S907-E911 WeakPolarHBondContact O-CB 3.33Å; S907-E911 PolarHBondContact O-N 3.09Å; S907-E911 PolarHBondContact OG-OE2 3.41Å
908	C	28.7	Very low	31.5	Very low	53 Å²	53	61.3 Å²	61.3	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-55.1	-26	-164.7	-72	0	0	0	0	116.1	I904 E905 A912	I904-C908 WeakPolarHBondContact O-CB 3.36Å; I904-C908 PolarHBondContact O-N 2.65Å; I904-C908 PolarHBondContact O-SG 3.17Å; E905-C908 PolarHBondContact O-N 2.76Å; C908-A912 WeakPolarHBondContact O-CA 3.46Å; C908-A912 WeakPolarHBondContact O-CB 3.49Å; C908-A912 PolarHBondContact O-N 3.08Å
909	S	31.1	Very low	31.8	Very low	82 Å²	82	69.9 Å²	69.9	57%	0.573	38%	0.383	S	S	*	.	H	α-helix	trans	-71.5	-49	168.4	-168.6	0	0	0	0	112.2	E905 S907 A913	E905-S909 WeakPolarHBondContact O-CB 3.41Å; E905-S909 PolarHBondContact O-N 3.39Å; S907-S909 CarbonylContact O-C 3.57Å; S907-S909 PolarHBondContact O-N 3.47Å; S909-A913 WeakPolarHBondContact O-CB 3.47Å
910	C	31.7	Very low	32.5	Very low	33 Å²	33	69.6 Å²	69.6	22%	0.223	39%	0.385	C	S	.	.	H	α-helix	trans	-74.7	-20.5	174.6	-80.3	0	0	0	0	115.4	F906 S907 R914	F906-C910 VanDerWaalsContact O-CB 3.31Å; F906-C910 WeakPolarHBondContact O-CB 3.42Å; S907-C910 CarbonylContact O-C 3.59Å; S907-C910 WeakPolarHBondContact O-CA 3.46Å; S907-C910 PolarHBondContact O-N 2.97Å; C910-R914 VanDerWaalsContact CB-NH2 3.33Å; C910-R914 VanDerWaalsContact O-CB 3.28Å; C910-R914 WeakPolarHBondContact O-CB 3.27Å; C910-R914 WeakPolarHBondContact O-CG 3.45Å; C910-R914 PolarHBondContact O-N 3.31Å; C910-R914 PolarHBondContact O-NE 3.47Å
911	E	28.6	Very low	33	Very low	65 Å²	65	70.6 Å²	70.6	30%	0.304	39%	0.388	S	S	.	.	H	α-helix	trans	-114.3	-17.4	-170.1	-68.5	-160.3	135	0	0	112.3	S907 A913 H915	S907-E911 WeakPolarHBondContact CB-OE2 3.16Å; S907-E911 WeakPolarHBondContact O-CA 3.19Å; S907-E911 VanDerWaalsContact O-CB 3.27Å; S907-E911 WeakPolarHBondContact O-CB 3.33Å; S907-E911 PolarHBondContact O-N 3.09Å; S907-E911 PolarHBondContact OG-OE2 3.41Å; E911-A913 VanDerWaalsContact C-N 3.25Å; E911-H915 WeakPolarHBondContact O-CA 3.15Å; E911-H915 WeakPolarHBondContact O-CB 3.13Å; E911-H915 PolarHBondContact O-CD2 3.37Å; E911-H915 PolarHBondContact O-N 2.61Å
912	A	29.9	Very low	33.7	Very low	57 Å²	57	72.6 Å²	72.6	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-41.5	149.8	0	0	0	0	0	109	C908 V916	C908-A912 WeakPolarHBondContact O-CA 3.46Å; C908-A912 WeakPolarHBondContact O-CB 3.49Å; C908-A912 PolarHBondContact O-N 3.08Å; A912-V916 WeakPolarHBondContact O-CG2 3.32Å; A912-V916 PolarHBondContact O-N 3.39Å
913	A	32.8	Very low	34.1	Very low	62 Å²	62	74.9 Å²	74.9	51%	0.512	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-34	173.9	0	0	0	0	0	113.7	S909 E911	S909-A913 WeakPolarHBondContact O-CB 3.47Å; E911-A913 VanDerWaalsContact C-N 3.25Å
914	R	29.9	Very low	34.9	Very low	111 Å²	111	79.1 Å²	79.1	42%	0.419	43%	0.429	S	S	.	.	H	α-helix	trans	-92.2	-18.6	176.4	-70.9	171.1	-127.6	172.5	-2.1	115.3	C910 K917 T918	C910-R914 VanDerWaalsContact CB-NH2 3.33Å; C910-R914 VanDerWaalsContact O-CB 3.28Å; C910-R914 WeakPolarHBondContact O-CB 3.27Å; C910-R914 WeakPolarHBondContact O-CG 3.45Å; C910-R914 PolarHBondContact O-N 3.31Å; C910-R914 PolarHBondContact O-NE 3.47Å; R914-K917 CarbonylContact O-C 3.59Å; R914-K917 WeakPolarHBondContact O-CA 3.12Å; R914-K917 WeakPolarHBondContact O-CB 3.39Å; R914-K917 PolarHBondContact O-N 3.19Å; R914-T918 PolarHBondContact O-N 3.3Å
915	H	32.5	Very low	35.7	Very low	64 Å²	64	80.2 Å²	80.2	30%	0.296	43%	0.433	S	S	.	.	H	α-helix	trans	-80.1	-23.7	174.6	-76.1	-45.6	0	0	0	113.3	E911 K917 T918 I926	E911-H915 WeakPolarHBondContact O-CA 3.15Å; E911-H915 WeakPolarHBondContact O-CB 3.13Å; E911-H915 PolarHBondContact O-CD2 3.37Å; E911-H915 PolarHBondContact O-N 2.61Å; H915-K917 PolarHBondContact O-N 3.4Å; H915-K917 VanDerWaalsContact O-N 3.1Å; H915-T918 WeakPolarHBondContact CA-OG1 3.16Å; H915-T918 PolarHBondContact ND1-OG1 2.82Å; H915-T918 PolarHBondContact O-N 3.34Å; H915-I926 HydrophobicContact CB-CD1 4Å
916	V	33.7	Very low	36.2	Very low	130 Å²	130	79.6 Å²	79.6	79%	0.788	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.9	157.2	174.2	0	0	0	0	111.4	A912	A912-V916 WeakPolarHBondContact O-CG2 3.32Å; A912-V916 PolarHBondContact O-N 3.39Å
917	K	30.3	Very low	36.8	Very low	110 Å²	110	81.2 Å²	81.2	48%	0.478	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-6.8	-176.9	-131.6	160.5	-176.7	172	0	113.9	W111 R914 H915	W111-K917 HydrophobicContact CE3-CG 4.49Å; W111-K917 HydrophobicContact CH2-CB 4.41Å; W111-K917 HydrophobicContact CH2-CD 4.11Å; W111-K917 HydrophobicContact CH2-CG 3.24Å; W111-K917 HydrophobicContact CZ2-CD 4.44Å; W111-K917 HydrophobicContact CZ2-CG 4Å; W111-K917 HydrophobicContact CZ3-CB 4.33Å; W111-K917 HydrophobicContact CZ3-CG 3.5Å; R914-K917 CarbonylContact O-C 3.59Å; R914-K917 WeakPolarHBondContact O-CA 3.12Å; R914-K917 WeakPolarHBondContact O-CB 3.39Å; R914-K917 PolarHBondContact O-N 3.19Å; H915-K917 PolarHBondContact O-N 3.4Å; H915-K917 VanDerWaalsContact O-N 3.1Å
918	T	34.7	Very low	37.8	Very low	60 Å²	60	86.6 Å²	86.6	37%	0.368	46%	0.464	S	S	.	.			trans	-118.3	118	-179.1	59.2	0	0	0	0	113.2	R914 H915 S920	R914-T918 PolarHBondContact O-N 3.3Å; H915-T918 WeakPolarHBondContact CA-OG1 3.16Å; H915-T918 PolarHBondContact ND1-OG1 2.82Å; H915-T918 PolarHBondContact O-N 3.34Å; T918-S920 PolarHBondContact O-N 2.87Å
919	K	35.9	Very low	38.6	Very low	206 Å²	206	89.4 Å²	89.4	90%	0.896	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	23.3	-171.6	-61.7	-178.1	176.6	177.7	0	116.4
920	S	43.5	Very low	39.1	Very low	94 Å²	94	87.4 Å²	87.4	66%	0.657	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-14.4	-168.4	50.5	0	0	0	0	116.1	T918	T918-S920 PolarHBondContact O-N 2.87Å
921	M	44.1	Very low	39.8	Very low	49 Å²	49	87.4 Å²	87.4	24%	0.241	45%	0.454	C	S	.	.	S	Bend	trans	-132.4	146.9	177	-78.1	179.8	62.3	0	0	111.1	Q925 I926 K929	M921-Q925 HydrophobicContact CB-CB 4.38Å; M921-Q925 HydrophobicContact CE-CB 3.68Å; M921-Q925 WeakPolarHBondContact CE-O 3.37Å; M921-I926 HydrophobicContact CB-CD1 4.47Å; M921-I926 HydrophobicContact CB-CG1 4.12Å; M921-I926 HydrophobicContact CE-CG1 4.12Å; M921-K929 HydrophobicContact CE-CD 3.66Å; M921-K929 HydrophobicContact CE-CG 4.03Å; M921-K929 HydrophobicContact SD-CD 4.39Å
922	T	49.4	Very low	40.7	Very low	64 Å²	64	88.8 Å²	88.8	39%	0.393	46%	0.457	S	S	.	.			trans	-76.1	158.1	172.8	72	0	0	0	0	111.1	E924 Q925 I926	T922-E924 PolarHBondContact O-N 3.45Å; T922-E924 PolarHBondContact OG1-N 2.82Å; T922-Q925 PolarHBondContact O-N 2.92Å; T922-Q925 VanDerWaalsContact O-N 3.11Å; T922-Q925 VanDerWaalsContact OG1-CG 3.32Å; T922-Q925 WeakPolarHBondContact OG1-CG 3.37Å; T922-Q925 PolarHBondContact OG1-N 3.3Å; T922-I926 WeakPolarHBondContact O-CG1 3.39Å; T922-I926 PolarHBondContact O-N 2.78Å
923	Q	41.8	Very low	41.3	Very low	110 Å²	110	88.3 Å²	88.3	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-31.5	174	-169.5	173.2	13.9	0	0	111.7	I926 I927	Q923-I926 PolarHBondContact O-N 3.34Å; Q923-I927 HydrophobicContact CG-CD1 4.16Å; Q923-I927 WeakPolarHBondContact O-CB 3.27Å; Q923-I927 WeakPolarHBondContact O-CD1 3.34Å; Q923-I927 VanDerWaalsContact O-CG1 3.26Å; Q923-I927 WeakPolarHBondContact O-CG1 3.18Å; Q923-I927 PolarHBondContact O-N 2.81Å
924	E	48.5	Very low	41.7	Very low	115 Å²	115	89.7 Å²	89.7	54%	0.537	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-49.4	172.4	-63.5	169.6	145.5	0	0	111.2	Y239 T922 I926 I927 E928	Y239-E924 WeakPolarHBondContact CD2-OE1 3.49Å; Y239-E924 VanDerWaalsContact CE2-OE1 3.22Å; Y239-E924 WeakPolarHBondContact CE2-OE1 3.44Å; T922-E924 PolarHBondContact O-N 3.45Å; T922-E924 PolarHBondContact OG1-N 2.82Å; E924-I926 PolarHBondContact O-N 3.11Å; E924-I927 CarbonylContact O-C 3.55Å; E924-I927 PolarHBondContact O-N 3.45Å; E924-I927 VanDerWaalsContact O-N 3.13Å; E924-E928 WeakPolarHBondContact O-CB 3.15Å; E924-E928 PolarHBondContact O-N 3Å
925	Q	49	Very low	42.5	Very low	80 Å²	80	90.7 Å²	90.7	37%	0.374	45%	0.454	S	S	.	.	H	α-helix	trans	-62.3	-30	177	-71.7	167.9	-17.8	0	0	113	M921 T922 K929	M921-Q925 HydrophobicContact CB-CB 4.38Å; M921-Q925 HydrophobicContact CE-CB 3.68Å; M921-Q925 WeakPolarHBondContact CE-O 3.37Å; T922-Q925 PolarHBondContact O-N 2.92Å; T922-Q925 VanDerWaalsContact O-N 3.11Å; T922-Q925 VanDerWaalsContact OG1-CG 3.32Å; T922-Q925 WeakPolarHBondContact OG1-CG 3.37Å; T922-Q925 PolarHBondContact OG1-N 3.3Å; Q925-K929 WeakPolarHBondContact O-CB 3.22Å; Q925-K929 WeakPolarHBondContact O-CG 3.32Å; Q925-K929 PolarHBondContact O-N 2.81Å
926	I	42.5	Very low	42.9	Very low	55 Å²	55	90.1 Å²	90.1	28%	0.282	45%	0.452	S	S	.	.	H	α-helix	trans	-71.8	-44.8	173.8	-66.6	166.5	0	0	0	110.5	H915 M921 T922 Q923 E924 E928 S930	H915-I926 HydrophobicContact CB-CD1 4Å; M921-I926 HydrophobicContact CB-CD1 4.47Å; M921-I926 HydrophobicContact CB-CG1 4.12Å; M921-I926 HydrophobicContact CE-CG1 4.12Å; T922-I926 WeakPolarHBondContact O-CG1 3.39Å; T922-I926 PolarHBondContact O-N 2.78Å; Q923-I926 PolarHBondContact O-N 3.34Å; E924-I926 PolarHBondContact O-N 3.11Å; I926-E928 VanDerWaalsContact C-N 3.33Å; I926-S930 VanDerWaalsContact O-CB 3.22Å; I926-S930 WeakPolarHBondContact O-CB 3.46Å; I926-S930 PolarHBondContact O-N 3.41Å
927	I	46	Very low	42.9	Very low	85 Å²	85	85.2 Å²	85.2	44%	0.436	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-38.9	174.9	-70.2	166	0	0	0	110.8	Q923 E924 S930 N931	Q923-I927 HydrophobicContact CG-CD1 4.16Å; Q923-I927 WeakPolarHBondContact O-CB 3.27Å; Q923-I927 WeakPolarHBondContact O-CD1 3.34Å; Q923-I927 VanDerWaalsContact O-CG1 3.26Å; Q923-I927 WeakPolarHBondContact O-CG1 3.18Å; Q923-I927 PolarHBondContact O-N 2.81Å; E924-I927 CarbonylContact O-C 3.55Å; E924-I927 PolarHBondContact O-N 3.45Å; E924-I927 VanDerWaalsContact O-N 3.13Å; I927-S930 PolarHBondContact O-N 3.33Å; I927-N931 WeakPolarHBondContact CG2-ND2 3.47Å; I927-N931 WeakPolarHBondContact O-CB 3.46Å; I927-N931 PolarHBondContact O-N 2.95Å; I927-N931 PolarHBondContact O-ND2 3.43Å
928	E	50	Low	42.9	Very low	133 Å²	133	81 Å²	81	62%	0.621	41%	0.414	S	S	*	.	H	α-helix	trans	-64.7	-49	177	-175.8	176	-141.9	0	0	111	E924 I926 N931 Y932	E924-E928 WeakPolarHBondContact O-CB 3.15Å; E924-E928 PolarHBondContact O-N 3Å; I926-E928 VanDerWaalsContact C-N 3.33Å; E928-N931 PolarHBondContact O-N 2.93Å; E928-Y932 WeakPolarHBondContact O-CB 3.38Å; E928-Y932 PolarHBondContact O-N 2.88Å
929	K	44.3	Very low	42.8	Very low	112 Å²	112	83.4 Å²	83.4	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-44.6	171.7	-77.4	-162.9	-170.6	169.2	0	112.4	M921 Q925 N931 Y932 F933	M921-K929 HydrophobicContact CE-CD 3.66Å; M921-K929 HydrophobicContact CE-CG 4.03Å; M921-K929 HydrophobicContact SD-CD 4.39Å; Q925-K929 WeakPolarHBondContact O-CB 3.22Å; Q925-K929 WeakPolarHBondContact O-CG 3.32Å; Q925-K929 PolarHBondContact O-N 2.81Å; K929-N931 VanDerWaalsContact C-N 3.3Å; K929-N931 PolarHBondContact O-N 2.89Å; K929-Y932 WeakPolarHBondContact O-CB 3.35Å; K929-Y932 PolarHBondContact O-N 2.9Å; K929-F933 HydrophobicContact CB-CD2 4.42Å; K929-F933 HydrophobicContact CB-CE2 4.21Å; K929-F933 WeakPolarHBondContact O-CD2 3.15Å; K929-F933 WeakPolarHBondContact O-CG 3.39Å; K929-F933 PolarHBondContact O-N 3.28Å
930	S	42.8	Very low	42.5	Very low	40 Å²	40	82.6 Å²	82.6	28%	0.28	41%	0.408	S	S	.	.	H	α-helix	trans	-58.6	-43.1	177.7	178.7	0	0	0	0	111.7	I926 I927 H934	I926-S930 VanDerWaalsContact O-CB 3.22Å; I926-S930 WeakPolarHBondContact O-CB 3.46Å; I926-S930 PolarHBondContact O-N 3.41Å; I927-S930 PolarHBondContact O-N 3.33Å; S930-H934 VanDerWaalsContact O-CB 3.31Å; S930-H934 WeakPolarHBondContact O-CB 3.43Å; S930-H934 PolarHBondContact O-N 3.3Å
931	N	46	Very low	41.8	Very low	34 Å²	34	78.6 Å²	78.6	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-75.2	-33	177.2	-68	-12.7	0	0	0	112.6	R296 I927 E928 K929 H934 N935	R296-N931 PolarHBondContact NH1-OD1 2.69Å; R296-N931 PolarHBondContact NH2-OD1 3.49Å; I927-N931 WeakPolarHBondContact CG2-ND2 3.47Å; I927-N931 WeakPolarHBondContact O-CB 3.46Å; I927-N931 PolarHBondContact O-N 2.95Å; I927-N931 PolarHBondContact O-ND2 3.43Å; E928-N931 PolarHBondContact O-N 2.93Å; K929-N931 VanDerWaalsContact C-N 3.3Å; K929-N931 PolarHBondContact O-N 2.89Å; N931-H934 PolarHBondContact O-N 3.28Å; N931-N935 VanDerWaalsContact O-CB 3.23Å; N931-N935 WeakPolarHBondContact O-CB 3.43Å; N931-N935 PolarHBondContact O-N 3.41Å; N931-N935 PolarHBondContact O-ND2 2.8Å; N931-N935 PolarHBondContact O-OD1 2.8Å
932	Y	47.8	Very low	41	Very low	93 Å²	93	80.5 Å²	80.5	37%	0.365	39%	0.387	S	S	.	.	H	α-helix	trans	-60.6	-52.3	172	174	-99.1	0	0	0	110.3	E928 K929 H934 N935 I936 N952	E928-Y932 WeakPolarHBondContact O-CB 3.38Å; E928-Y932 PolarHBondContact O-N 2.88Å; K929-Y932 WeakPolarHBondContact O-CB 3.35Å; K929-Y932 PolarHBondContact O-N 2.9Å; Y932-H934 VanDerWaalsContact C-N 3.3Å; Y932-H934 PolarHBondContact O-N 2.59Å; Y932-N935 PolarHBondContact O-N 3.29Å; Y932-I936 HydrophobicContact CD1-CD1 3.95Å; Y932-I936 HydrophobicContact CD2-CD1 3.75Å; Y932-I936 HydrophobicContact CE1-CD1 3.59Å; Y932-I936 HydrophobicContact CE2-CD1 3.36Å; Y932-I936 HydrophobicContact CG-CD1 4.02Å; Y932-I936 WeakPolarHBondContact O-CB 3.3Å; Y932-I936 WeakPolarHBondContact O-CG1 3.39Å; Y932-I936 PolarHBondContact O-N 3.18Å; Y932-N952 PolarHBondContact OH-ND2 2.79Å
933	F	41	Very low	40.1	Very low	47 Å²	47	83.4 Å²	83.4	21%	0.206	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-37.2	172.9	-67.8	-53.1	0	0	0	112	K929 G937 A938 L956	K929-F933 HydrophobicContact CB-CD2 4.42Å; K929-F933 HydrophobicContact CB-CE2 4.21Å; K929-F933 WeakPolarHBondContact O-CD2 3.15Å; K929-F933 WeakPolarHBondContact O-CG 3.39Å; K929-F933 PolarHBondContact O-N 3.28Å; F933-G937 CarbonylContact O-C 3.59Å; F933-G937 PolarHBondContact O-N 3.25Å; F933-A938 HydrophobicContact CB-CB 4.04Å; F933-A938 HydrophobicContact CD1-CB 3.97Å; F933-A938 HydrophobicContact CG-CB 4.47Å; F933-A938 VanDerWaalsContact O-CB 3.29Å; F933-A938 WeakPolarHBondContact O-CB 3.31Å; F933-A938 PolarHBondContact O-N 3.08Å; F933-L956 HydrophobicContact CE1-CD1 4.27Å
934	H	41.7	Very low	39.7	Very low	92 Å²	92	81.5 Å²	81.5	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-43.9	175.5	-171.3	74.3	0	0	0	113.1	S930 N931 Y932 G937	S930-H934 VanDerWaalsContact O-CB 3.31Å; S930-H934 WeakPolarHBondContact O-CB 3.43Å; S930-H934 PolarHBondContact O-N 3.3Å; N931-H934 PolarHBondContact O-N 3.28Å; Y932-H934 VanDerWaalsContact C-N 3.3Å; Y932-H934 PolarHBondContact O-N 2.59Å; H934-G937 WeakPolarHBondContact O-CA 3.37Å; H934-G937 PolarHBondContact O-N 2.83Å
935	N	46.5	Very low	39.2	Very low	131 Å²	131	80.1 Å²	80.1	70%	0.701	38%	0.379	S	S	*	.	H	α-helix	trans	-77.3	-31.3	-174.2	-67.4	-7.7	0	0	0	112.9	N931 Y932 G937	N931-N935 VanDerWaalsContact O-CB 3.23Å; N931-N935 WeakPolarHBondContact O-CB 3.43Å; N931-N935 PolarHBondContact O-N 3.41Å; N931-N935 PolarHBondContact O-ND2 2.8Å; N931-N935 PolarHBondContact O-OD1 2.8Å; Y932-N935 PolarHBondContact O-N 3.29Å; N935-G937 PolarHBondContact O-N 2.95Å
936	I	40.7	Very low	38.6	Very low	52 Å²	52	82.1 Å²	82.1	27%	0.267	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.4	167.8	-70.1	168.7	0	0	0	110.9	Y932 A938 S941 D947	Y932-I936 HydrophobicContact CD1-CD1 3.95Å; Y932-I936 HydrophobicContact CD2-CD1 3.75Å; Y932-I936 HydrophobicContact CE1-CD1 3.59Å; Y932-I936 HydrophobicContact CE2-CD1 3.36Å; Y932-I936 HydrophobicContact CG-CD1 4.02Å; Y932-I936 WeakPolarHBondContact O-CB 3.3Å; Y932-I936 WeakPolarHBondContact O-CG1 3.39Å; Y932-I936 PolarHBondContact O-N 3.18Å; I936-A938 VanDerWaalsContact C-N 3.28Å; I936-A938 PolarHBondContact O-N 3.03Å; I936-S941 PolarHBondContact O-OG 3.4Å; I936-D947 HydrophobicContact CG2-CB 3.79Å
937	G	33.9	Very low	38.5	Very low	27 Å²	27	81.6 Å²	81.6	28%	0.278	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	12.6	-177.9	0	0	0	0	0	113.6	F933 H934 N935 W939 R940 S941	F933-G937 CarbonylContact O-C 3.59Å; F933-G937 PolarHBondContact O-N 3.25Å; H934-G937 WeakPolarHBondContact O-CA 3.37Å; H934-G937 PolarHBondContact O-N 2.83Å; N935-G937 PolarHBondContact O-N 2.95Å; G937-W939 CarbonylContact O-C 3.59Å; G937-W939 PolarHBondContact O-N 3.03Å; G937-R940 CarbonylContact O-C 3.58Å; G937-R940 VanDerWaalsContact O-CA 3.26Å; G937-R940 WeakPolarHBondContact O-CA 3.31Å; G937-R940 WeakPolarHBondContact O-CB 3.39Å; G937-R940 PolarHBondContact O-N 2.88Å; G937-S941 PolarHBondContact O-N 3.13Å; G937-S941 PolarHBondContact O-OG 3.49Å
938	A	31.6	Very low	38.3	Very low	23 Å²	23	79.1 Å²	79.1	19%	0.19	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.9	-172.1	0	0	0	0	0	114.9	F933 I936 R940 S941	F933-A938 HydrophobicContact CB-CB 4.04Å; F933-A938 HydrophobicContact CD1-CB 3.97Å; F933-A938 HydrophobicContact CG-CB 4.47Å; F933-A938 VanDerWaalsContact O-CB 3.29Å; F933-A938 WeakPolarHBondContact O-CB 3.31Å; F933-A938 PolarHBondContact O-N 3.08Å; I936-A938 VanDerWaalsContact C-N 3.28Å; I936-A938 PolarHBondContact O-N 3.03Å; A938-R940 PolarHBondContact O-N 2.9Å; A938-S941 VanDerWaalsContact CA-OG 3.26Å; A938-S941 WeakPolarHBondContact CA-OG 3.48Å; A938-S941 PolarHBondContact N-OG 2.92Å; A938-S941 VanDerWaalsContact N-OG 3.08Å
939	W	32.4	Very low	37.6	Very low	110 Å²	110	77.5 Å²	77.5	42%	0.417	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	1.7	166.7	-56.1	69.5	0	0	0	112.9	E905 G937	E905-W939 HydrophobicContact CG-CE3 4.12Å; E905-W939 HydrophobicContact CG-CZ3 3.93Å; E905-W939 VanDerWaalsContact OE1-CE3 3.23Å; E905-W939 WeakPolarHBondContact OE1-CZ3 3.29Å; G937-W939 CarbonylContact O-C 3.59Å; G937-W939 PolarHBondContact O-N 3.03Å
940	R	28.2	Very low	37.5	Very low	189 Å²	189	75.1 Å²	75.1	71%	0.713	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.7	-6.4	-176.6	-59.7	-174.6	178.5	-96	-12.6	114.1	G937 A938 F942 H943	G937-R940 CarbonylContact O-C 3.58Å; G937-R940 VanDerWaalsContact O-CA 3.26Å; G937-R940 WeakPolarHBondContact O-CA 3.31Å; G937-R940 WeakPolarHBondContact O-CB 3.39Å; G937-R940 PolarHBondContact O-N 2.88Å; A938-R940 PolarHBondContact O-N 2.9Å; R940-F942 PolarHBondContact O-N 3Å; R940-H943 PolarHBondContact O-N 3.46Å
941	S	29.2	Very low	37.4	Very low	9 Å²	9	79.7 Å²	79.7	6%	0.063	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-69.5	-1.9	-164.3	-64.1	0	0	0	0	116.9	I936 G937 A938 H943 N944	I936-S941 PolarHBondContact O-OG 3.4Å; G937-S941 PolarHBondContact O-N 3.13Å; G937-S941 PolarHBondContact O-OG 3.49Å; A938-S941 VanDerWaalsContact CA-OG 3.26Å; A938-S941 WeakPolarHBondContact CA-OG 3.48Å; A938-S941 PolarHBondContact N-OG 2.92Å; A938-S941 VanDerWaalsContact N-OG 3.08Å; S941-H943 PolarHBondContact O-N 3.47Å; S941-N944 PolarHBondContact O-N 2.86Å
942	F	28.8	Very low	37.1	Very low	90 Å²	90	82.2 Å²	82.2	40%	0.395	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-68.9	-1.6	172.1	-50.3	-44.9	0	0	0	113.2	P901 R940 I948 W960	P901-F942 HydrophobicContact CB-CE1 4.11Å; P901-F942 HydrophobicContact CB-CE2 3.89Å; P901-F942 HydrophobicContact CB-CZ 3.36Å; P901-F942 HydrophobicContact CG-CZ 4.26Å; R940-F942 PolarHBondContact O-N 3Å; F942-I948 HydrophobicContact CD1-CD1 4.43Å; F942-W960 AromaticContact CD1-CH2 3.49Å; F942-W960 HydrophobicContact CD1-CH2 3.49Å; F942-W960 VanDerWaalsContact CD1-CH2 3.49Å; F942-W960 AromaticContact CD1-CZ3 3.45Å; F942-W960 HydrophobicContact CD1-CZ3 3.45Å; F942-W960 VanDerWaalsContact CD1-CZ3 3.45Å; F942-W960 HydrophobicContact CD2-CH2 4.24Å; F942-W960 AromaticContact CE1-CH2 3.57Å; F942-W960 HydrophobicContact CE1-CH2 3.57Å; F942-W960 AromaticContact CE1-CZ3 3.45Å; F942-W960 HydrophobicContact CE1-CZ3 3.45Å; F942-W960 VanDerWaalsContact CE1-CZ3 3.45Å; F942-W960 HydrophobicContact CE2-CH2 4.29Å; F942-W960 AromaticContact CG-CH2 3.87Å; F942-W960 HydrophobicContact CG-CH2 3.87Å; F942-W960 HydrophobicContact CG-CZ3 4.28Å; F942-W960 HydrophobicContact CZ-CH2 4.01Å; F942-W960 HydrophobicContact CZ-CZ3 4.27Å
943	H	29.1	Very low	36.7	Very low	124 Å²	124	78.1 Å²	78.1	57%	0.574	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-99.6	-4	164.1	-61.7	-49.8	0	0	0	115.2	L821 R940 S941	L821-H943 WeakPolarHBondContact CD2-NE2 3.5Å; R940-H943 PolarHBondContact O-N 3.46Å; S941-H943 PolarHBondContact O-N 3.47Å
944	N	34.8	Very low	36.6	Very low	70 Å²	70	80.7 Å²	80.7	37%	0.374	40%	0.398	S	S	.	.			trans	-129.1	91.3	-178	-168.1	31.2	0	0	0	112.7	S941 N946 D947	S941-N944 PolarHBondContact O-N 2.86Å; N944-N946 PolarHBondContact O-N 3.15Å; N944-N946 VanDerWaalsContact O-N 3.15Å; N944-D947 PolarHBondContact ND2-OD2 3.39Å; N944-D947 PolarHBondContact O-N 3.47Å
945	W	37.8	Very low	36.5	Very low	86 Å²	86	83.1 Å²	83.1	33%	0.326	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-23.2	-174.2	-67.8	74.4	0	0	0	114.6	D947 I948 L949 P970 I971	W945-D947 VanDerWaalsContact C-N 3.31Å; W945-D947 PolarHBondContact O-N 2.92Å; W945-I948 PolarHBondContact O-N 2.99Å; W945-L949 PolarHBondContact O-N 2.92Å; W945-P970 HydrophobicContact CH2-CB 4.41Å; W945-P970 HydrophobicContact CH2-CG 3.73Å; W945-P970 HydrophobicContact CZ2-CB 3.71Å; W945-P970 HydrophobicContact CZ2-CG 3.46Å; W945-P970 VanDerWaalsContact CZ2-CG 3.46Å; W945-I971 HydrophobicContact CB-CD1 3.92Å; W945-I971 HydrophobicContact CB-CG1 4.19Å; W945-I971 HydrophobicContact CD2-CD1 3.82Å; W945-I971 HydrophobicContact CD2-CG1 3.73Å; W945-I971 HydrophobicContact CE3-CD1 3.72Å; W945-I971 HydrophobicContact CE3-CG1 4.05Å; W945-I971 HydrophobicContact CG-CD1 3.9Å; W945-I971 HydrophobicContact CG-CG1 3.75Å
946	N	36.5	Very low	36.1	Very low	122 Å²	122	81.9 Å²	81.9	65%	0.652	40%	0.402	S	S	*	.	H	α-helix	trans	-65.3	-31.3	-178.7	-64.4	-47.7	0	0	0	113.3	N944	N944-N946 PolarHBondContact O-N 3.15Å; N944-N946 VanDerWaalsContact O-N 3.15Å
947	D	39.7	Very low	35.9	Very low	45 Å²	45	80.4 Å²	80.4	24%	0.241	40%	0.395	C	S	.	.	H	α-helix	trans	-74.5	-32.4	179.4	-60.4	-45.3	0	0	0	111.9	I936 N944 W945 T950	I936-D947 HydrophobicContact CG2-CB 3.79Å; N944-D947 PolarHBondContact ND2-OD2 3.39Å; N944-D947 PolarHBondContact O-N 3.47Å; W945-D947 VanDerWaalsContact C-N 3.31Å; W945-D947 PolarHBondContact O-N 2.92Å; D947-T950 WeakPolarHBondContact O-CG2 3.36Å; D947-T950 PolarHBondContact O-OG1 2.8Å
948	I	40.5	Very low	36.1	Very low	33 Å²	33	85.9 Å²	85.9	17%	0.169	41%	0.411	C	S	.	.	H	α-helix	trans	-71.4	-34	-175.8	-63.1	176.8	0	0	0	111.2	F942 W945 T950 G953 L957	F942-I948 HydrophobicContact CD1-CD1 4.43Å; W945-I948 PolarHBondContact O-N 2.99Å; I948-T950 PolarHBondContact O-N 3.35Å; I948-G953 CarbonylContact O-C 3.51Å; I948-G953 WeakPolarHBondContact O-CA 3.5Å; I948-L957 HydrophobicContact CG2-CD1 3.64Å; I948-L957 HydrophobicContact CG2-CD2 4.02Å; I948-L957 HydrophobicContact CG2-CG 4.1Å
949	L	35.5	Very low	36.1	Very low	98 Å²	98	89.5 Å²	89.5	51%	0.513	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	6.2	-178.3	-70.5	167.3	0	0	0	114.8	W945 Y954	W945-L949 PolarHBondContact O-N 2.92Å; L949-Y954 WeakPolarHBondContact O-CE2 3.42Å
950	T	42	Very low	36.2	Very low	63 Å²	63	86.7 Å²	86.7	39%	0.387	42%	0.416	S	S	.	.	S	Bend	trans	-79.5	153.1	176.6	62.6	0	0	0	0	111.9	D947 I948 N952 G953 Y954	D947-T950 WeakPolarHBondContact O-CG2 3.36Å; D947-T950 PolarHBondContact O-OG1 2.8Å; I948-T950 PolarHBondContact O-N 3.35Å; T950-N952 PolarHBondContact O-N 3.21Å; T950-G953 WeakPolarHBondContact O-CA 3.15Å; T950-G953 PolarHBondContact O-N 3.23Å; T950-G953 PolarHBondContact OG1-N 3.3Å; T950-G953 VanDerWaalsContact OG1-N 3.11Å; T950-Y954 VanDerWaalsContact O-CD2 3.31Å; T950-Y954 WeakPolarHBondContact O-CD2 3.36Å; T950-Y954 PolarHBondContact O-N 3.26Å
951	N	41.4	Very low	36.4	Very low	136 Å²	136	80.6 Å²	80.6	73%	0.727	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.5	176	-74.7	-2.2	0	0	0	114.1
952	N	40.3	Very low	36.5	Very low	86 Å²	86	83.5 Å²	83.5	46%	0.46	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-35.4	173.3	-64.8	8.6	0	0	0	111.8	Y932 T950 Q955	Y932-N952 PolarHBondContact OH-ND2 2.79Å; T950-N952 PolarHBondContact O-N 3.21Å; N952-Q955 WeakPolarHBondContact O-CB 3.28Å; N952-Q955 PolarHBondContact O-N 2.9Å; N952-Q955 VanDerWaalsContact O-N 3.15Å
953	G	38.5	Very low	36.7	Very low	8 Å²	8	84.4 Å²	84.4	8%	0.082	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-39.1	171.7	0	0	0	0	0	112.9	I948 T950 Q955 L956 L957	I948-G953 CarbonylContact O-C 3.51Å; I948-G953 WeakPolarHBondContact O-CA 3.5Å; T950-G953 WeakPolarHBondContact O-CA 3.15Å; T950-G953 PolarHBondContact O-N 3.23Å; T950-G953 PolarHBondContact OG1-N 3.3Å; T950-G953 VanDerWaalsContact OG1-N 3.11Å; G953-Q955 PolarHBondContact O-N 3.41Å; G953-Q955 VanDerWaalsContact O-N 3.16Å; G953-L956 WeakPolarHBondContact O-CA 3.49Å; G953-L956 WeakPolarHBondContact O-CB 3.42Å; G953-L956 PolarHBondContact O-N 2.8Å; G953-L957 WeakPolarHBondContact O-CG 3.43Å; G953-L957 PolarHBondContact O-N 3.2Å
954	Y	39.1	Very low	36.9	Very low	101 Å²	101	83.3 Å²	83.3	40%	0.396	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-54.8	-31.6	170.9	-82.7	-78	0	0	0	113.4	L949 T950 L956 L957 F958	L949-Y954 WeakPolarHBondContact O-CE2 3.42Å; T950-Y954 VanDerWaalsContact O-CD2 3.31Å; T950-Y954 WeakPolarHBondContact O-CD2 3.36Å; T950-Y954 PolarHBondContact O-N 3.26Å; Y954-L956 VanDerWaalsContact C-N 3.26Å; Y954-L956 PolarHBondContact O-N 2.82Å; Y954-L957 HydrophobicContact CD1-CD1 4.43Å; Y954-L957 PolarHBondContact O-N 2.97Å; Y954-F958 WeakPolarHBondContact O-CE2 3.18Å
955	Q	40.4	Very low	36.9	Very low	142 Å²	142	85.9 Å²	85.9	66%	0.664	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-74.5	-15.1	177.3	-60.1	-178	9.9	0	0	113.6	N952 G953	N952-Q955 WeakPolarHBondContact O-CB 3.28Å; N952-Q955 PolarHBondContact O-N 2.9Å; N952-Q955 VanDerWaalsContact O-N 3.15Å; G953-Q955 PolarHBondContact O-N 3.41Å; G953-Q955 VanDerWaalsContact O-N 3.16Å
956	L	36.9	Very low	36.9	Very low	106 Å²	106	86.9 Å²	86.9	56%	0.555	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-97	-3.8	177	-62	165.2	0	0	0	112.4	F933 G953 Y954	F933-L956 HydrophobicContact CE1-CD1 4.27Å; G953-L956 WeakPolarHBondContact O-CA 3.49Å; G953-L956 WeakPolarHBondContact O-CB 3.42Å; G953-L956 PolarHBondContact O-N 2.8Å; Y954-L956 VanDerWaalsContact C-N 3.26Å; Y954-L956 PolarHBondContact O-N 2.82Å
957	L	36.8	Very low	36.7	Very low	21 Å²	21	84.2 Å²	84.2	11%	0.11	40%	0.4	C	S	.	.			trans	-102.1	-0.4	-166.5	-89.6	171.5	0	0	0	115.9	I948 G953 Y954 N959 W960 L961	I948-L957 HydrophobicContact CG2-CD1 3.64Å; I948-L957 HydrophobicContact CG2-CD2 4.02Å; I948-L957 HydrophobicContact CG2-CG 4.1Å; G953-L957 WeakPolarHBondContact O-CG 3.43Å; G953-L957 PolarHBondContact O-N 3.2Å; Y954-L957 HydrophobicContact CD1-CD1 4.43Å; Y954-L957 PolarHBondContact O-N 2.97Å; L957-N959 VanDerWaalsContact C-N 3.26Å; L957-N959 PolarHBondContact O-N 2.89Å; L957-W960 HydrophobicContact CD2-CB 3.87Å; L957-W960 HydrophobicContact CD2-CE3 4.15Å; L957-W960 WeakPolarHBondContact O-CA 3.22Å; L957-W960 PolarHBondContact O-N 2.95Å; L957-L961 HydrophobicContact CB-CD1 4.34Å; L957-L961 HydrophobicContact CD1-CD1 4Å; L957-L961 PolarHBondContact O-N 3.23Å; L957-L961 VanDerWaalsContact O-N 3.1Å
958	F	38.3	Very low	36.3	Very low	141 Å²	141	86.4 Å²	86.4	62%	0.618	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-7	-163.6	-74.2	-60.6	0	0	0	117.3	Y954	Y954-F958 WeakPolarHBondContact O-CE2 3.18Å
959	N	32.1	Very low	36	Very low	99 Å²	99	89.6 Å²	89.6	53%	0.529	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	7.7	166.8	-86.1	-23.8	0	0	0	113	G898 L957	G898-N959 PolarHBondContact O-ND2 3.42Å; L957-N959 VanDerWaalsContact C-N 3.26Å; L957-N959 PolarHBondContact O-N 2.89Å
960	W	34.5	Very low	35.9	Very low	52 Å²	52	86.3 Å²	86.3	20%	0.197	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-31.8	-164.5	-107.6	26.2	0	0	0	114.6	P901 F942 L957 Y962 Y963	P901-W960 HydrophobicContact CB-CH2 4.08Å; P901-W960 HydrophobicContact CB-CZ2 4.08Å; P901-W960 VanDerWaalsContact CD-CZ2 3.4Å; P901-W960 VanDerWaalsContact CD-NE1 3.34Å; P901-W960 HydrophobicContact CG-CD2 3.75Å; P901-W960 VanDerWaalsContact CG-CE2 3.48Å; P901-W960 HydrophobicContact CG-CE3 3.95Å; P901-W960 HydrophobicContact CG-CG 4.5Å; P901-W960 HydrophobicContact CG-CH2 3.71Å; P901-W960 HydrophobicContact CG-CZ2 3.49Å; P901-W960 VanDerWaalsContact CG-CZ2 3.49Å; P901-W960 HydrophobicContact CG-CZ3 3.93Å; F942-W960 AromaticContact CD1-CH2 3.49Å; F942-W960 HydrophobicContact CD1-CH2 3.49Å; F942-W960 VanDerWaalsContact CD1-CH2 3.49Å; F942-W960 AromaticContact CD1-CZ3 3.45Å; F942-W960 HydrophobicContact CD1-CZ3 3.45Å; F942-W960 VanDerWaalsContact CD1-CZ3 3.45Å; F942-W960 HydrophobicContact CD2-CH2 4.24Å; F942-W960 AromaticContact CE1-CH2 3.57Å; F942-W960 HydrophobicContact CE1-CH2 3.57Å; F942-W960 AromaticContact CE1-CZ3 3.45Å; F942-W960 HydrophobicContact CE1-CZ3 3.45Å; F942-W960 VanDerWaalsContact CE1-CZ3 3.45Å; F942-W960 HydrophobicContact CE2-CH2 4.29Å; F942-W960 AromaticContact CG-CH2 3.87Å; F942-W960 HydrophobicContact CG-CH2 3.87Å; F942-W960 HydrophobicContact CG-CZ3 4.28Å; F942-W960 HydrophobicContact CZ-CH2 4.01Å; F942-W960 HydrophobicContact CZ-CZ3 4.27Å; L957-W960 HydrophobicContact CD2-CB 3.87Å; L957-W960 HydrophobicContact CD2-CE3 4.15Å; L957-W960 WeakPolarHBondContact O-CA 3.22Å; L957-W960 PolarHBondContact O-N 2.95Å; W960-Y962 PolarHBondContact O-N 3.03Å; W960-Y963 PolarHBondContact O-N 3.18Å
961	L	31.5	Very low	35.7	Very low	60 Å²	60	87.3 Å²	87.3	31%	0.314	42%	0.423	S	S	.	.	H	α-helix	trans	-51.7	-41.7	175.4	-140.4	78.1	0	0	0	111.5	L957 Y963 Q965	L957-L961 HydrophobicContact CB-CD1 4.34Å; L957-L961 HydrophobicContact CD1-CD1 4Å; L957-L961 PolarHBondContact O-N 3.23Å; L957-L961 VanDerWaalsContact O-N 3.1Å; L961-Y963 PolarHBondContact O-N 2.72Å; L961-Q965 HydrophobicContact CG-CG 4.18Å; L961-Q965 VanDerWaalsContact O-CB 3.23Å; L961-Q965 WeakPolarHBondContact O-CB 3.29Å; L961-Q965 VanDerWaalsContact O-CG 3.3Å; L961-Q965 WeakPolarHBondContact O-CG 3.25Å; L961-Q965 PolarHBondContact O-N 3.03Å
962	Y	32.7	Very low	35.5	Very low	71 Å²	71	86.1 Å²	86.1	28%	0.278	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-42.5	-173.3	-160.5	-131.4	0	0	0	114.8	W960 Y1084 Y1088	W960-Y962 PolarHBondContact O-N 3.03Å; Y962-Y1084 PolarHBondContact OH-O 3.47Å; Y962-Y1088 HydrophobicContact CE1-CD1 4.09Å; Y962-Y1088 HydrophobicContact CE1-CD2 4.23Å; Y962-Y1088 AromaticContact CE1-CG 3.88Å; Y962-Y1088 HydrophobicContact CE1-CG 3.88Å; Y962-Y1088 AromaticContact CZ-CG 3.98Å; Y962-Y1088 VanDerWaalsContact OH-CB 3.24Å; Y962-Y1088 WeakPolarHBondContact OH-CB 3.48Å; Y962-Y1088 PolarHBondContact OH-N 3.23Å
963	Y	31.6	Very low	35.3	Very low	109 Å²	109	86.2 Å²	86.2	43%	0.427	42%	0.417	S	S	.	.	H	α-helix	trans	-78.8	-34.2	-173.9	-157.3	-92.6	0	0	0	112	W960 L961 N967	W960-Y963 PolarHBondContact O-N 3.18Å; L961-Y963 PolarHBondContact O-N 2.72Å; Y963-N967 WeakPolarHBondContact O-CB 3.25Å; Y963-N967 PolarHBondContact O-N 2.83Å; Y963-N967 VanDerWaalsContact O-N 3.08Å; Y963-N967 PolarHBondContact O-ND2 2.88Å
964	W	33.2	Very low	35.3	Very low	100 Å²	100	90.4 Å²	90.4	38%	0.379	44%	0.441	S	S	.	.	H	α-helix	trans	-102.1	-13.3	-174.4	-71.3	97.3	0	0	0	114.9	N967 P970	W964-N967 VanDerWaalsContact CE3-O 3.26Å; W964-P970 HydrophobicContact CE3-CG 3.86Å; W964-P970 HydrophobicContact CZ3-CG 3.68Å
965	Q	36.2	Very low	35.2	Very low	124 Å²	124	88.6 Å²	88.6	58%	0.579	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.9	162.6	-80.1	-175.8	-53	0	0	112.7	L961	L961-Q965 HydrophobicContact CG-CG 4.18Å; L961-Q965 VanDerWaalsContact O-CB 3.23Å; L961-Q965 WeakPolarHBondContact O-CB 3.29Å; L961-Q965 VanDerWaalsContact O-CG 3.3Å; L961-Q965 WeakPolarHBondContact O-CG 3.25Å; L961-Q965 PolarHBondContact O-N 3.03Å
966	Y	37.5	Very low	35.1	Very low	107 Å²	107	84.6 Å²	84.6	42%	0.42	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-24.6	-176.2	-74.6	-81.2	0	0	0	114	K1085	Y966-K1085 VanDerWaalsContact OH-CD 3.28Å; Y966-K1085 WeakPolarHBondContact OH-CD 3.42Å; Y966-K1085 WeakPolarHBondContact OH-CE 3.28Å; Y966-K1085 PolarHBondContact OH-NZ 2.94Å
967	N	31.1	Very low	34.9	Very low	67 Å²	67	85.1 Å²	85.1	36%	0.358	42%	0.422	S	S	.	.	S	Bend	trans	-107.1	97.2	169.2	-65.1	-57.8	0	0	0	112	Y963 W964	Y963-N967 WeakPolarHBondContact O-CB 3.25Å; Y963-N967 PolarHBondContact O-N 2.83Å; Y963-N967 VanDerWaalsContact O-N 3.08Å; Y963-N967 PolarHBondContact O-ND2 2.88Å; W964-N967 VanDerWaalsContact CE3-O 3.26Å
968	S	32.5	Very low	34.8	Very low	91 Å²	91	86.2 Å²	86.2	64%	0.636	43%	0.434	S	S	*	.			trans	52.5	107.2	158	57.4	0	0	0	0	118.9	P970	S968-P970 WeakPolarHBondContact O-CD 3.21Å; S968-P970 WeakPolarHBondContact O-CG 3.45Å
969	D	33.7	Very low	34.6	Very low	99 Å²	99	84.9 Å²	84.9	53%	0.529	43%	0.428	S	S	.	.			trans	-51	109.3	169.4	-84.4	-32.6	0	0	0	113.7	I971 N972	D969-I971 PolarHBondContact O-N 2.87Å; D969-N972 HydrophobicContact CB-CB 4.12Å; D969-N972 PolarHBondContact OD2-ND2 2.94Å
970	P	34.7	Very low	34.6	Very low	29 Å²	29	85.1 Å²	85.1	19%	0.188	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.1	176.8	-20	38.9	0	0	0	112.7	W945 W964 S968	W945-P970 HydrophobicContact CH2-CB 4.41Å; W945-P970 HydrophobicContact CH2-CG 3.73Å; W945-P970 HydrophobicContact CZ2-CB 3.71Å; W945-P970 HydrophobicContact CZ2-CG 3.46Å; W945-P970 VanDerWaalsContact CZ2-CG 3.46Å; W964-P970 HydrophobicContact CE3-CG 3.86Å; W964-P970 HydrophobicContact CZ3-CG 3.68Å; S968-P970 WeakPolarHBondContact O-CD 3.21Å; S968-P970 WeakPolarHBondContact O-CG 3.45Å
971	I	37.1	Very low	34.7	Very low	84 Å²	84	87.9 Å²	87.9	43%	0.431	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.5	177.3	-60.8	170.3	0	0	0	111.2	W945 D969	W945-I971 HydrophobicContact CB-CD1 3.92Å; W945-I971 HydrophobicContact CB-CG1 4.19Å; W945-I971 HydrophobicContact CD2-CD1 3.82Å; W945-I971 HydrophobicContact CD2-CG1 3.73Å; W945-I971 HydrophobicContact CE3-CD1 3.72Å; W945-I971 HydrophobicContact CE3-CG1 4.05Å; W945-I971 HydrophobicContact CG-CD1 3.9Å; W945-I971 HydrophobicContact CG-CG1 3.75Å; D969-I971 PolarHBondContact O-N 2.87Å
972	N	37.4	Very low	34.8	Very low	111 Å²	111	90.8 Å²	90.8	59%	0.594	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-37.1	-174.3	-71.7	-38.9	0	0	0	112.4	D969 T974	D969-N972 HydrophobicContact CB-CB 4.12Å; D969-N972 PolarHBondContact OD2-ND2 2.94Å; N972-T974 PolarHBondContact O-N 2.81Å
973	N	35.2	Very low	35.1	Very low	89 Å²	89	91.5 Å²	91.5	48%	0.476	47%	0.47	S	S	.	.			trans	-94.8	42	-179.4	-81.4	26.2	0	0	0	114.5	S975 D976 Y977	N973-S975 PolarHBondContact O-N 2.94Å; N973-S975 VanDerWaalsContact O-N 3.07Å; N973-D976 HydrophobicContact CB-CB 4.48Å; N973-D976 PolarHBondContact ND2-OD2 2.83Å; N973-D976 PolarHBondContact O-N 2.99Å; N973-Y977 PolarHBondContact O-N 3.24Å
974	T	38	Very low	35.6	Very low	96 Å²	96	87.3 Å²	87.3	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-54.1	-27.9	173	49.3	0	0	0	0	113.5	N972 D976 A978	N972-T974 PolarHBondContact O-N 2.81Å; T974-D976 PolarHBondContact O-N 2.9Å; T974-A978 WeakPolarHBondContact O-CB 3.36Å; T974-A978 PolarHBondContact O-N 2.83Å
975	S	38.4	Very low	35.9	Very low	62 Å²	62	87.5 Å²	87.5	43%	0.434	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-30.9	176.2	77.3	0	0	0	0	114.1	N973 K979	N973-S975 PolarHBondContact O-N 2.94Å; N973-S975 VanDerWaalsContact O-N 3.07Å; S975-K979 VanDerWaalsContact O-CG 3.27Å; S975-K979 WeakPolarHBondContact O-CG 3.43Å; S975-K979 PolarHBondContact O-N 2.94Å; S975-K979 VanDerWaalsContact O-N 3.08Å
976	D	37.7	Very low	36	Very low	59 Å²	59	89.6 Å²	89.6	32%	0.316	47%	0.473	S	S	.	.	H	α-helix	trans	-92	-35.5	-170.9	-64.3	-27.7	0	0	0	112	N973 T974 A978 K979 L980	N973-D976 HydrophobicContact CB-CB 4.48Å; N973-D976 PolarHBondContact ND2-OD2 2.83Å; N973-D976 PolarHBondContact O-N 2.99Å; T974-D976 PolarHBondContact O-N 2.9Å; D976-A978 VanDerWaalsContact C-N 3.26Å; D976-A978 PolarHBondContact O-N 2.82Å; D976-K979 PolarHBondContact O-N 2.83Å; D976-K979 WeakPolarHBondContact OD1-CE 3.38Å; D976-K979 IonicContact OD1-NZ 2.81Å; D976-K979 PolarHBondContact OD1-NZ 2.79Å; D976-L980 PolarHBondContact O-N 3.39Å
977	Y	32.2	Very low	36.2	Very low	117 Å²	117	86.1 Å²	86.1	46%	0.459	46%	0.464	S	S	.	.	H	α-helix	trans	-58.9	-40.2	164.1	-106.4	-82.2	0	0	0	111.4	N973 L980 I981	N973-Y977 PolarHBondContact O-N 3.24Å; Y977-L980 PolarHBondContact O-N 2.87Å; Y977-I981 WeakPolarHBondContact O-CD1 3.21Å; Y977-I981 VanDerWaalsContact O-CG1 3.26Å; Y977-I981 WeakPolarHBondContact O-CG1 3.27Å; Y977-I981 PolarHBondContact O-N 3.24Å
978	A	34.9	Very low	36.8	Very low	43 Å²	43	85.6 Å²	85.6	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-40.1	175.3	0	0	0	0	0	112.6	T974 D976 Q982	T974-A978 WeakPolarHBondContact O-CB 3.36Å; T974-A978 PolarHBondContact O-N 2.83Å; D976-A978 VanDerWaalsContact C-N 3.26Å; D976-A978 PolarHBondContact O-N 2.82Å; A978-Q982 WeakPolarHBondContact O-CB 3.3Å; A978-Q982 VanDerWaalsContact O-CG 3.3Å; A978-Q982 WeakPolarHBondContact O-CG 3.31Å; A978-Q982 PolarHBondContact O-N 2.72Å
979	K	34.5	Very low	37.9	Very low	114 Å²	114	88.4 Å²	88.4	50%	0.496	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-47.4	173	-71.9	164	-160.3	161.5	0	111.8	S975 D976 I981 Q982 T983	S975-K979 VanDerWaalsContact O-CG 3.27Å; S975-K979 WeakPolarHBondContact O-CG 3.43Å; S975-K979 PolarHBondContact O-N 2.94Å; S975-K979 VanDerWaalsContact O-N 3.08Å; D976-K979 PolarHBondContact O-N 2.83Å; D976-K979 WeakPolarHBondContact OD1-CE 3.38Å; D976-K979 IonicContact OD1-NZ 2.81Å; D976-K979 PolarHBondContact OD1-NZ 2.79Å; K979-I981 VanDerWaalsContact C-N 3.34Å; K979-I981 PolarHBondContact O-N 3.12Å; K979-Q982 CarbonylContact O-C 3.59Å; K979-Q982 PolarHBondContact O-N 2.85Å; K979-Q982 VanDerWaalsContact O-N 3.09Å; K979-T983 PolarHBondContact O-N 3.45Å; K979-T983 PolarHBondContact O-OG1 3.32Å
980	L	32.5	Very low	39.5	Very low	103 Å²	103	92.2 Å²	92.2	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-57.9	-46.1	178.4	-96.6	164.7	0	0	0	111.9	D976 Y977 Q982 T983 I984	D976-L980 PolarHBondContact O-N 3.39Å; Y977-L980 PolarHBondContact O-N 2.87Å; L980-Q982 VanDerWaalsContact C-N 3.34Å; L980-Q982 PolarHBondContact O-N 3.03Å; L980-T983 WeakPolarHBondContact CA-OG1 3.44Å; L980-T983 PolarHBondContact O-N 3.48Å; L980-T983 PolarHBondContact O-OG1 3.47Å; L980-I984 WeakPolarHBondContact O-CG1 3.46Å; L980-I984 PolarHBondContact O-N 3.46Å; L980-I984 VanDerWaalsContact O-N 3.09Å
981	I	36.2	Very low	41.5	Very low	111 Å²	111	93.2 Å²	93.2	57%	0.569	47%	0.47	S	S	*	.	H	α-helix	trans	-60.8	-43.3	174.8	-67.9	165.4	0	0	0	110.7	Y977 K979 I984 D985	Y977-I981 WeakPolarHBondContact O-CD1 3.21Å; Y977-I981 VanDerWaalsContact O-CG1 3.26Å; Y977-I981 WeakPolarHBondContact O-CG1 3.27Å; Y977-I981 PolarHBondContact O-N 3.24Å; K979-I981 VanDerWaalsContact C-N 3.34Å; K979-I981 PolarHBondContact O-N 3.12Å; I981-I984 PolarHBondContact O-N 3Å; I981-D985 WeakPolarHBondContact O-CB 3.48Å; I981-D985 PolarHBondContact O-N 3.25Å
982	Q	34.4	Very low	43.8	Very low	121 Å²	121	89.5 Å²	89.5	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-67.3	-33.4	177.1	-74.9	177.4	8.1	0	0	113.9	A978 K979 L980 D985 Q986	A978-Q982 WeakPolarHBondContact O-CB 3.3Å; A978-Q982 VanDerWaalsContact O-CG 3.3Å; A978-Q982 WeakPolarHBondContact O-CG 3.31Å; A978-Q982 PolarHBondContact O-N 2.72Å; K979-Q982 CarbonylContact O-C 3.59Å; K979-Q982 PolarHBondContact O-N 2.85Å; K979-Q982 VanDerWaalsContact O-N 3.09Å; L980-Q982 VanDerWaalsContact C-N 3.34Å; L980-Q982 PolarHBondContact O-N 3.03Å; Q982-D985 PolarHBondContact O-N 2.88Å; Q982-Q986 PolarHBondContact O-N 2.7Å
983	T	38.2	Very low	45.9	Very low	86 Å²	86	89 Å²	89	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-68.9	-37.9	174.5	44.9	0	0	0	0	111.9	K979 L980 Q986 S987	K979-T983 PolarHBondContact O-N 3.45Å; K979-T983 PolarHBondContact O-OG1 3.32Å; L980-T983 WeakPolarHBondContact CA-OG1 3.44Å; L980-T983 PolarHBondContact O-N 3.48Å; L980-T983 PolarHBondContact O-OG1 3.47Å; T983-Q986 PolarHBondContact O-N 2.87Å; T983-S987 PolarHBondContact O-N 3.13Å
984	I	42.5	Very low	48.1	Very low	20 Å²	20	85.3 Å²	85.3	10%	0.103	43%	0.433	C	S	.	.	H	α-helix	trans	-68.4	-37.5	174.3	-65.4	170.7	0	0	0	110.7	A879 L980 I981 Q986 S987 T988	A879-I984 HydrophobicContact CB-CD1 3.66Å; L980-I984 WeakPolarHBondContact O-CG1 3.46Å; L980-I984 PolarHBondContact O-N 3.46Å; L980-I984 VanDerWaalsContact O-N 3.09Å; I981-I984 PolarHBondContact O-N 3Å; I984-Q986 PolarHBondContact O-N 3.44Å; I984-Q986 VanDerWaalsContact O-N 3.09Å; I984-S987 PolarHBondContact O-N 2.82Å; I984-S987 PolarHBondContact O-OG 2.76Å; I984-T988 PolarHBondContact O-N 3.36Å
985	D	38.6	Very low	50.1	Low	104 Å²	104	84.7 Å²	84.7	56%	0.556	43%	0.425	S	S	*	.	H	α-helix	trans	-59.5	-20.9	177.3	-158.3	36.8	0	0	0	112.9	I981 Q982 T988	I981-D985 WeakPolarHBondContact O-CB 3.48Å; I981-D985 PolarHBondContact O-N 3.25Å; Q982-D985 PolarHBondContact O-N 2.88Å; D985-T988 VanDerWaalsContact O-CG2 3.25Å; D985-T988 WeakPolarHBondContact O-CG2 3.3Å; D985-T988 PolarHBondContact O-OG1 3.19Å
986	Q	39.8	Very low	51.9	Low	168 Å²	168	84.8 Å²	84.8	79%	0.785	42%	0.421	S	S	*	.	H	α-helix	trans	-98.1	-20.2	180	-65.3	-177	17.4	0	0	115	Q982 T983 I984	Q982-Q986 PolarHBondContact O-N 2.7Å; T983-Q986 PolarHBondContact O-N 2.87Å; I984-Q986 PolarHBondContact O-N 3.44Å; I984-Q986 VanDerWaalsContact O-N 3.09Å
987	S	39.8	Very low	53.2	Low	34 Å²	34	83.5 Å²	83.5	24%	0.238	42%	0.416	C	S	.	.	H	α-helix	trans	-90.1	-1.2	170.4	62.6	0	0	0	0	113.7	T983 I984 R989 R990	T983-S987 PolarHBondContact O-N 3.13Å; I984-S987 PolarHBondContact O-N 2.82Å; I984-S987 PolarHBondContact O-OG 2.76Å; S987-R989 PolarHBondContact O-N 2.98Å; S987-R990 PolarHBondContact O-N 3.03Å
988	T	45.2	Very low	54.4	Low	57 Å²	57	81.5 Å²	81.5	35%	0.35	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.7	-9.3	-163	25.1	0	0	0	0	121.6	A815 I984 D985	A815-T988 WeakPolarHBondContact CB-O 3.42Å; I984-T988 PolarHBondContact O-N 3.36Å; D985-T988 VanDerWaalsContact O-CG2 3.25Å; D985-T988 WeakPolarHBondContact O-CG2 3.3Å; D985-T988 PolarHBondContact O-OG1 3.19Å
989	R	55.5	Low	55.4	Low	150 Å²	150	85.9 Å²	85.9	57%	0.566	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	11.8	-166.6	-64.1	-175	170.2	-158.1	-17.9	115.9	S358 S987 I991	S358-R989 PolarHBondContact O-NH1 3.15Å; S358-R989 PolarHBondContact O-NH2 3.38Å; S358-R989 PolarHBondContact OG-NH2 2.91Å; S987-R989 PolarHBondContact O-N 2.98Å; R989-I991 PolarHBondContact O-N 3.02Å
990	R	66.3	Low	56.5	Low	179 Å²	179	86.1 Å²	86.1	68%	0.675	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-77.5	116.9	173.7	-71.6	-177.1	171	-177.3	-3.3	111.1	R818 S987	R818-R990 PolarHBondContact NH1-O 2.71Å; S987-R990 PolarHBondContact O-N 3.03Å
991	I	78.2	Confident	58.1	Low	49 Å²	49	81.2 Å²	81.2	25%	0.251	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68	130.3	165.5	-62.5	173.2	0	0	0	107.8	N775 I812 L813 R989	N775-I991 HydrophobicContact CB-CD1 4.08Å; N775-I991 VanDerWaalsContact CG-CD1 3.47Å; N775-I991 WeakPolarHBondContact ND2-CD1 3.43Å; I812-I991 HydrophobicContact CG2-CG2 3.83Å; I812-I991 VanDerWaalsContact O-CA 3.28Å; I812-I991 WeakPolarHBondContact O-CA 3.3Å; L813-I991 HydrophobicContact CD2-CD1 4Å; L813-I991 HydrophobicContact CD2-CG1 4.28Å; L813-I991 HydrophobicContact CD2-CG2 4.24Å; R989-I991 PolarHBondContact O-N 3.02Å
992	L	84	Confident	59	Low	6 Å²	6	76.5 Å²	76.5	3%	0.031	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-74.4	133.4	-178.8	-62	-177.4	0	0	0	111.8	I811 I812 L870 F874 E877 F878 P994	I811-L992 HydrophobicContact CG2-CD1 4.46Å; I812-L992 HydrophobicContact CG1-CB 4.3Å; I812-L992 HydrophobicContact CG2-CB 4.4Å; I812-L992 VanDerWaalsContact CG2-O 3.26Å; I812-L992 WeakPolarHBondContact CG2-O 3.41Å; I812-L992 PolarHBondContact O-N 3.24Å; L870-L992 HydrophobicContact CD2-CD1 4.5Å; F874-L992 HydrophobicContact CB-CD2 4.16Å; F874-L992 HydrophobicContact CD1-CD2 3.96Å; F874-L992 HydrophobicContact CD2-CB 4.35Å; F874-L992 HydrophobicContact CD2-CD1 4.04Å; F874-L992 HydrophobicContact CD2-CD2 3.85Å; F874-L992 HydrophobicContact CD2-CG 4.3Å; F874-L992 HydrophobicContact CE1-CD2 4.32Å; F874-L992 HydrophobicContact CE2-CB 4.06Å; F874-L992 HydrophobicContact CE2-CD2 4.22Å; F874-L992 HydrophobicContact CG-CD2 3.71Å; F874-L992 HydrophobicContact CZ-CB 4.44Å; F874-L992 HydrophobicContact CZ-CD2 4.45Å; E877-L992 HydrophobicContact CB-CD2 4.26Å; E877-L992 HydrophobicContact CG-CD2 4.12Å; F878-L992 HydrophobicContact CE2-CD1 4.07Å; F878-L992 HydrophobicContact CZ-CD1 3.94Å; L992-P994 WeakPolarHBondContact O-CD 3.5Å
993	T	83.1	Confident	60	Low	102 Å²	102	79.5 Å²	79.5	63%	0.626	39%	0.39	S	S	*	.			trans	-121.8	76.4	178.1	54.4	0	0	0	0	110.2
994	P	80.8	Confident	60.9	Low	11 Å²	11	77.7 Å²	77.7	7%	0.071	38%	0.375	C	S	.	.			trans	-63.6	152.3	-173.4	25.1	-35.6	0	0	0	114.1	T768 L870 F874 L992 L996	T768-P994 VanDerWaalsContact CG2-CD 3.47Å; T768-P994 HydrophobicContact CG2-CG 3.36Å; L870-P994 HydrophobicContact CD2-CB 3.79Å; L870-P994 HydrophobicContact CD2-CG 3.94Å; F874-P994 HydrophobicContact CE2-CB 4.13Å; L992-P994 WeakPolarHBondContact O-CD 3.5Å; P994-L996 PolarHBondContact O-N 3.36Å
995	I	79.1	Confident	61.8	Low	82 Å²	82	77 Å²	77	42%	0.421	37%	0.371	S	S	.	.			trans	-79.2	97.5	179.9	-56.2	174	0	0	0	108.9	Q873 S997 Y1000 Y1001	Q873-I995 PolarHBondContact NE2-O 3.19Å; I995-S997 PolarHBondContact O-N 3.14Å; I995-Y1000 HydrophobicContact CG2-CD2 4.09Å; I995-Y1000 HydrophobicContact CG2-CE2 4.07Å; I995-Y1001 PolarHBondContact O-OH 3.48Å
996	L	76.9	Confident	62.6	Low	65 Å²	65	75 Å²	75	34%	0.34	36%	0.36	S	S	.	.			trans	-79.1	57.6	-179.9	-60.1	175.8	0	0	0	112.6	L761 L764 K765 P994	L761-L996 HydrophobicContact CD1-CB 3.88Å; L761-L996 HydrophobicContact CD1-CD2 4.22Å; L764-L996 HydrophobicContact CB-CD2 3.73Å; K765-L996 HydrophobicContact CB-CD1 4.07Å; K765-L996 HydrophobicContact CB-CD2 4.43Å; K765-L996 HydrophobicContact CG-CD1 4.12Å; P994-L996 PolarHBondContact O-N 3.36Å
997	S	65.4	Low	63.1	Low	31 Å²	31	72.7 Å²	72.7	22%	0.217	35%	0.349	C	S	.	.			trans	-119.6	125.7	-178.7	172.6	0	0	0	0	112.4	I995 L999 Y1000 Y1001	I995-S997 PolarHBondContact O-N 3.14Å; S997-L999 PolarHBondContact O-N 3.36Å; S997-Y1000 PolarHBondContact O-N 3.45Å; S997-Y1001 WeakPolarHBondContact O-CD2 3.35Å; S997-Y1001 VanDerWaalsContact O-CE2 3.27Å; S997-Y1001 WeakPolarHBondContact O-CE2 3.1Å
998	P	57.5	Low	63.6	Low	76 Å²	76	71.1 Å²	71.1	49%	0.494	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20	179.3	-23.8	30.3	0	0	0	115.5	L761 P1002	L761-P998 HydrophobicContact CD2-CB 4.5Å; L761-P998 HydrophobicContact CD2-CG 3.73Å; P998-P1002 WeakPolarHBondContact O-CD 3.26Å; P998-P1002 WeakPolarHBondContact O-CG 3.44Å
999	L	55.2	Low	64.1	Low	135 Å²	135	69.7 Å²	69.7	71%	0.707	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-24.2	-174	-65.2	171.9	0	0	0	113.9	S997	S997-L999 PolarHBondContact O-N 3.36Å
1000	Y	58.1	Low	64	Low	118 Å²	118	67.8 Å²	67.8	46%	0.463	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-45.6	-175.2	-75.2	-95.3	0	0	0	112.3	I995 S997 P1002 R1003 F1004	I995-Y1000 HydrophobicContact CG2-CD2 4.09Å; I995-Y1000 HydrophobicContact CG2-CE2 4.07Å; S997-Y1000 PolarHBondContact O-N 3.45Å; Y1000-P1002 VanDerWaalsContact C-CD 3.47Å; Y1000-R1003 PolarHBondContact O-N 2.81Å; Y1000-F1004 HydrophobicContact CD1-CE2 4.36Å; Y1000-F1004 VanDerWaalsContact O-CD2 3.31Å; Y1000-F1004 WeakPolarHBondContact O-CD2 3.45Å
1001	Y	64.6	Low	63.1	Low	1 Å²	1	64 Å²	64	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-55.2	-43.5	-174.4	-58.3	-75.1	0	0	0	114.8	L760 L761 L764 Q869 I995 S997 R1003 F1004 W1005	L760-Y1001 HydrophobicContact CD2-CD1 3.56Å; L760-Y1001 HydrophobicContact CD2-CE1 3.5Å; L760-Y1001 VanDerWaalsContact CD2-CE1 3.5Å; L760-Y1001 HydrophobicContact CD2-CG 4.21Å; L761-Y1001 HydrophobicContact CD1-CE2 3.95Å; L764-Y1001 HydrophobicContact CD1-CE1 3.76Å; L764-Y1001 WeakPolarHBondContact CD1-OH 3.49Å; Q869-Y1001 HydrophobicContact CB-CD1 4.06Å; Q869-Y1001 HydrophobicContact CB-CE1 3.8Å; Q869-Y1001 HydrophobicContact CG-CD1 3.67Å; Q869-Y1001 HydrophobicContact CG-CE1 3.88Å; I995-Y1001 PolarHBondContact O-OH 3.48Å; S997-Y1001 WeakPolarHBondContact O-CD2 3.35Å; S997-Y1001 VanDerWaalsContact O-CE2 3.27Å; S997-Y1001 WeakPolarHBondContact O-CE2 3.1Å; Y1001-R1003 VanDerWaalsContact C-N 3.3Å; Y1001-R1003 PolarHBondContact O-N 3.06Å; Y1001-F1004 PolarHBondContact O-N 3.13Å; Y1001-W1005 VanDerWaalsContact O-CB 3.27Å; Y1001-W1005 WeakPolarHBondContact O-CB 3.42Å; Y1001-W1005 PolarHBondContact O-N 3.27Å
1002	P	57.1	Low	62	Low	12 Å²	12	62 Å²	62	8%	0.078	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-39.8	-178.7	-23.2	29.2	0	0	0	114.2	Y748 L757 P998 Y1000 W1005 I1006	Y748-P1002 HydrophobicContact CD2-CB 4.49Å; Y748-P1002 HydrophobicContact CE2-CB 4.02Å; Y748-P1002 HydrophobicContact CE2-CG 3.87Å; L757-P1002 HydrophobicContact CD1-CB 4.23Å; L757-P1002 HydrophobicContact CD1-CG 3.76Å; P998-P1002 WeakPolarHBondContact O-CD 3.26Å; P998-P1002 WeakPolarHBondContact O-CG 3.44Å; Y1000-P1002 VanDerWaalsContact C-CD 3.47Å; P1002-W1005 PolarHBondContact O-N 2.86Å; P1002-I1006 WeakPolarHBondContact O-CG1 3.29Å; P1002-I1006 PolarHBondContact O-N 2.8Å; P1002-I1006 VanDerWaalsContact O-N 3.08Å
1003	R	54.5	Low	60.5	Low	184 Å²	184	62.3 Å²	62.3	69%	0.694	30%	0.296	S	S	*	.	H	α-helix	trans	-66	-44.4	-178.8	-178.5	178.5	177.7	178.2	-0.5	111.4	Y1000 Y1001 W1005 I1006	Y1000-R1003 PolarHBondContact O-N 2.81Å; Y1001-R1003 VanDerWaalsContact C-N 3.3Å; Y1001-R1003 PolarHBondContact O-N 3.06Å; R1003-W1005 VanDerWaalsContact C-N 3.31Å; R1003-I1006 PolarHBondContact O-N 3.07Å
1004	F	56.2	Low	58.9	Low	47 Å²	47	65.4 Å²	65.4	21%	0.206	30%	0.296	C	S	.	.	H	α-helix	trans	-70.4	-33.2	177.2	-54.6	-41.5	0	0	0	111.4	I872 Y1000 Y1001 I1006 H1007 A1008	I872-F1004 HydrophobicContact CD1-CB 3.77Å; I872-F1004 HydrophobicContact CD1-CD1 3.99Å; I872-F1004 HydrophobicContact CD1-CG 3.92Å; I872-F1004 HydrophobicContact CG2-CD1 3.59Å; I872-F1004 HydrophobicContact CG2-CD2 3.69Å; I872-F1004 HydrophobicContact CG2-CE1 3.46Å; I872-F1004 VanDerWaalsContact CG2-CE1 3.46Å; I872-F1004 HydrophobicContact CG2-CE2 3.56Å; I872-F1004 HydrophobicContact CG2-CG 3.71Å; I872-F1004 HydrophobicContact CG2-CZ 3.44Å; I872-F1004 VanDerWaalsContact CG2-CZ 3.44Å; Y1000-F1004 HydrophobicContact CD1-CE2 4.36Å; Y1000-F1004 VanDerWaalsContact O-CD2 3.31Å; Y1000-F1004 WeakPolarHBondContact O-CD2 3.45Å; Y1001-F1004 PolarHBondContact O-N 3.13Å; F1004-I1006 VanDerWaalsContact C-N 3.3Å; F1004-I1006 PolarHBondContact O-N 2.99Å; F1004-H1007 PolarHBondContact O-N 3.3Å; F1004-A1008 PolarHBondContact O-N 2.77Å
1005	W	61.8	Low	57.2	Low	6 Å²	6	64.9 Å²	64.9	2%	0.023	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-24.1	176.6	-148.9	80.5	0	0	0	113.6	L547 W747 L751 W756 L757 D865 Y1001 P1002 R1003 W1009	L547-W1005 HydrophobicContact CD1-CH2 3.61Å; L547-W1005 HydrophobicContact CD1-CZ2 3.5Å; L547-W1005 VanDerWaalsContact CD1-CZ2 3.5Å; L547-W1005 HydrophobicContact CD2-CH2 3.78Å; L547-W1005 HydrophobicContact CD2-CZ2 3.85Å; L547-W1005 HydrophobicContact CG-CH2 3.62Å; L547-W1005 HydrophobicContact CG-CZ2 3.91Å; W747-W1005 HydrophobicContact CZ2-CE3 4.46Å; W747-W1005 HydrophobicContact CZ2-CZ3 4.48Å; L751-W1005 HydrophobicContact CD1-CD2 4.32Å; L751-W1005 HydrophobicContact CD1-CE3 3.59Å; L751-W1005 HydrophobicContact CD1-CH2 4.28Å; L751-W1005 HydrophobicContact CD1-CZ3 3.54Å; L751-W1005 HydrophobicContact CD2-CE3 3.8Å; L751-W1005 HydrophobicContact CD2-CZ3 4.41Å; L751-W1005 HydrophobicContact CG-CE3 4.38Å; W756-W1005 AromaticContact CD1-NE1 3.66Å; W756-W1005 AromaticContact NE1-NE1 3.61Å; L757-W1005 HydrophobicContact CD2-CB 4.11Å; L757-W1005 HydrophobicContact CD2-CG 3.92Å; D865-W1005 PolarHBondContact OD2-NE1 2.77Å; Y1001-W1005 VanDerWaalsContact O-CB 3.27Å; Y1001-W1005 WeakPolarHBondContact O-CB 3.42Å; Y1001-W1005 PolarHBondContact O-N 3.27Å; P1002-W1005 PolarHBondContact O-N 2.86Å; R1003-W1005 VanDerWaalsContact C-N 3.31Å; W1005-W1009 HydrophobicContact CE3-CB 4.27Å; W1005-W1009 HydrophobicContact CH2-CB 4.42Å; W1005-W1009 AromaticContact CH2-CD1 3.7Å; W1005-W1009 HydrophobicContact CH2-CG 4.48Å; W1005-W1009 HydrophobicContact CZ3-CB 4.01Å; W1005-W1009 AromaticContact CZ3-CD1 3.51Å; W1005-W1009 HydrophobicContact CZ3-CG 4.13Å; W1005-W1009 VanDerWaalsContact O-CB 3.28Å; W1005-W1009 WeakPolarHBondContact O-CB 3.47Å; W1005-W1009 PolarHBondContact O-N 3.29Å
1006	I	55.3	Low	55.8	Low	63 Å²	63	61.2 Å²	61.2	32%	0.323	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-47.4	169.2	-68.1	163.3	0	0	0	110.9	W747 P1002 R1003 F1004 A1008 W1009 Y1010	W747-I1006 HydrophobicContact CH2-CD1 4.16Å; W747-I1006 HydrophobicContact CH2-CG1 3.38Å; W747-I1006 HydrophobicContact CZ2-CG1 4.27Å; W747-I1006 HydrophobicContact CZ3-CD1 4.01Å; W747-I1006 HydrophobicContact CZ3-CG1 3.76Å; P1002-I1006 WeakPolarHBondContact O-CG1 3.29Å; P1002-I1006 PolarHBondContact O-N 2.8Å; P1002-I1006 VanDerWaalsContact O-N 3.08Å; R1003-I1006 PolarHBondContact O-N 3.07Å; F1004-I1006 VanDerWaalsContact C-N 3.3Å; F1004-I1006 PolarHBondContact O-N 2.99Å; I1006-A1008 VanDerWaalsContact C-N 3.35Å; I1006-A1008 PolarHBondContact O-N 2.78Å; I1006-W1009 WeakPolarHBondContact O-CB 3.45Å; I1006-W1009 PolarHBondContact O-N 3.43Å; I1006-Y1010 HydrophobicContact CG2-CD2 4.32Å; I1006-Y1010 HydrophobicContact CG2-CE2 4.05Å; I1006-Y1010 WeakPolarHBondContact O-CD2 3.31Å; I1006-Y1010 PolarHBondContact O-N 3.43Å
1007	H	49.9	Very low	54.3	Low	119 Å²	119	65.2 Å²	65.2	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-64	-40.9	177.2	-76	-94.2	0	0	0	111.6	F1004	F1004-H1007 PolarHBondContact O-N 3.3Å
1008	A	51.9	Low	53.3	Low	0 Å²	0	66.4 Å²	66.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-49	170.9	0	0	0	0	0	111.4	F1004 I1006 Y1010 R1011 W1012	F1004-A1008 PolarHBondContact O-N 2.77Å; I1006-A1008 VanDerWaalsContact C-N 3.35Å; I1006-A1008 PolarHBondContact O-N 2.78Å; A1008-Y1010 VanDerWaalsContact C-N 3.33Å; A1008-Y1010 PolarHBondContact O-N 3.21Å; A1008-R1011 PolarHBondContact O-N 3.3Å; A1008-W1012 HydrophobicContact CB-CG 4.47Å; A1008-W1012 VanDerWaalsContact O-CB 3.28Å; A1008-W1012 WeakPolarHBondContact O-CB 3.42Å; A1008-W1012 PolarHBondContact O-N 3.33Å
1009	W	55.3	Low	52.6	Low	27 Å²	27	64 Å²	64	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-52.5	-45.7	-176.1	-178.1	89.5	0	0	0	113.4	P742 W1005 I1006 N1013	P742-W1009 HydrophobicContact CG-CH2 4.17Å; P742-W1009 HydrophobicContact CG-CZ3 4.08Å; W1005-W1009 HydrophobicContact CE3-CB 4.27Å; W1005-W1009 HydrophobicContact CH2-CB 4.42Å; W1005-W1009 AromaticContact CH2-CD1 3.7Å; W1005-W1009 HydrophobicContact CH2-CG 4.48Å; W1005-W1009 HydrophobicContact CZ3-CB 4.01Å; W1005-W1009 AromaticContact CZ3-CD1 3.51Å; W1005-W1009 HydrophobicContact CZ3-CG 4.13Å; W1005-W1009 VanDerWaalsContact O-CB 3.28Å; W1005-W1009 WeakPolarHBondContact O-CB 3.47Å; W1005-W1009 PolarHBondContact O-N 3.29Å; I1006-W1009 WeakPolarHBondContact O-CB 3.45Å; I1006-W1009 PolarHBondContact O-N 3.43Å; W1009-N1013 WeakPolarHBondContact O-CB 3.21Å; W1009-N1013 PolarHBondContact O-N 2.72Å; W1009-N1013 VanDerWaalsContact O-N 3.11Å
1010	Y	52.9	Low	51.9	Low	110 Å²	110	59.4 Å²	59.4	43%	0.431	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-46	177.4	-79.3	-79.8	0	0	0	112.2	I1006 A1008 N1013	I1006-Y1010 HydrophobicContact CG2-CD2 4.32Å; I1006-Y1010 HydrophobicContact CG2-CE2 4.05Å; I1006-Y1010 WeakPolarHBondContact O-CD2 3.31Å; I1006-Y1010 PolarHBondContact O-N 3.43Å; A1008-Y1010 VanDerWaalsContact C-N 3.33Å; A1008-Y1010 PolarHBondContact O-N 3.21Å; Y1010-N1013 VanDerWaalsContact O-CB 3.27Å; Y1010-N1013 WeakPolarHBondContact O-CB 3.41Å
1011	R	48.3	Very low	50.6	Low	101 Å²	101	55.2 Å²	55.2	38%	0.381	24%	0.241	S	C	.	.	H	α-helix	trans	-72.6	-42	-177.4	-71.7	170.4	154	-131.7	-13.7	112.3	E882 D883 V886 A1008 N1013 R1014	E882-R1011 VanDerWaalsContact CD-NH1 3.27Å; E882-R1011 WeakPolarHBondContact OE1-CD 3.35Å; E882-R1011 IonicContact OE1-CZ 3.02Å; E882-R1011 IonicContact OE1-NE 3.15Å; E882-R1011 PolarHBondContact OE1-NE 3.22Å; E882-R1011 IonicContact OE1-NH1 3.46Å; E882-R1011 PolarHBondContact OE1-NH1 3.17Å; D883-R1011 IonicContact OD1-CZ 2.66Å; D883-R1011 VanDerWaalsContact OD1-CZ 3.26Å; D883-R1011 IonicContact OD1-NH1 3.92Å; D883-R1011 PolarHBondContact OD1-NH1 2.84Å; D883-R1011 IonicContact OD1-NH2 2.85Å; D883-R1011 PolarHBondContact OD1-NH2 3Å; V886-R1011 HydrophobicContact CG2-CB 4.34Å; A1008-R1011 PolarHBondContact O-N 3.3Å; R1011-N1013 PolarHBondContact O-N 3.07Å; R1011-R1014 WeakPolarHBondContact O-CB 3.34Å; R1011-R1014 PolarHBondContact O-N 3.07Å
1012	W	55.2	Low	49	Very low	7 Å²	7	56.2 Å²	56.2	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-74.2	-14.4	-179.5	-67.8	48.1	0	0	0	112.8	W544 A861 I864 D865 L889 A1008 R1014 S1015 T1016	W544-W1012 HydrophobicContact CH2-CE3 4.07Å; W544-W1012 HydrophobicContact CH2-CZ3 4.25Å; W544-W1012 HydrophobicContact CZ3-CE3 4.39Å; W544-W1012 HydrophobicContact CZ3-CZ3 4.39Å; A861-W1012 HydrophobicContact CB-CZ3 4.15Å; A861-W1012 VanDerWaalsContact O-CH2 3.25Å; A861-W1012 WeakPolarHBondContact O-CH2 3.29Å; A861-W1012 WeakPolarHBondContact O-CZ3 3.36Å; I864-W1012 HydrophobicContact CB-CH2 3.99Å; I864-W1012 HydrophobicContact CB-CZ2 4.43Å; I864-W1012 HydrophobicContact CG2-CH2 3.9Å; I864-W1012 HydrophobicContact CG2-CZ2 3.85Å; D865-W1012 HydrophobicContact CB-CH2 3.74Å; D865-W1012 HydrophobicContact CB-CZ2 4.26Å; D865-W1012 HydrophobicContact CB-CZ3 4.34Å; L889-W1012 HydrophobicContact CD1-CZ3 4.38Å; L889-W1012 HydrophobicContact CD2-CD2 3.55Å; L889-W1012 HydrophobicContact CD2-CE3 3.36Å; L889-W1012 HydrophobicContact CD2-CG 4.23Å; L889-W1012 HydrophobicContact CD2-CH2 3.81Å; L889-W1012 HydrophobicContact CD2-CZ2 4.04Å; L889-W1012 HydrophobicContact CD2-CZ3 3.49Å; L889-W1012 VanDerWaalsContact CD2-CZ3 3.49Å; A1008-W1012 HydrophobicContact CB-CG 4.47Å; A1008-W1012 VanDerWaalsContact O-CB 3.28Å; A1008-W1012 WeakPolarHBondContact O-CB 3.42Å; A1008-W1012 PolarHBondContact O-N 3.33Å; W1012-R1014 PolarHBondContact O-N 3.29Å; W1012-S1015 PolarHBondContact O-N 3.11Å; W1012-T1016 WeakPolarHBondContact O-CB 3.45Å; W1012-T1016 WeakPolarHBondContact O-CG2 3.41Å; W1012-T1016 PolarHBondContact O-N 3.42Å; W1012-T1016 PolarHBondContact O-OG1 2.96Å
1013	N	52.8	Low	47.8	Very low	11 Å²	11	56.4 Å²	56.4	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-32.5	168.7	-144	-46.2	0	0	0	111.4	I551 W1009 Y1010 R1011 T1016 R1017	I551-N1013 HydrophobicContact CG2-CB 4.43Å; I551-N1013 WeakPolarHBondContact CG2-OD1 3.46Å; W1009-N1013 WeakPolarHBondContact O-CB 3.21Å; W1009-N1013 PolarHBondContact O-N 2.72Å; W1009-N1013 VanDerWaalsContact O-N 3.11Å; Y1010-N1013 VanDerWaalsContact O-CB 3.27Å; Y1010-N1013 WeakPolarHBondContact O-CB 3.41Å; R1011-N1013 PolarHBondContact O-N 3.07Å; N1013-T1016 WeakPolarHBondContact CA-OG1 3.23Å; N1013-T1016 PolarHBondContact O-OG1 2.88Å; N1013-T1016 VanDerWaalsContact O-OG1 3.14Å; N1013-R1017 WeakPolarHBondContact O-CB 3.04Å; N1013-R1017 WeakPolarHBondContact O-CD 3.17Å; N1013-R1017 WeakPolarHBondContact O-CG 3.41Å; N1013-R1017 PolarHBondContact O-N 3.1Å; N1013-R1017 VanDerWaalsContact OD1-CZ 3.25Å; N1013-R1017 PolarHBondContact OD1-NE 2.94Å; N1013-R1017 PolarHBondContact OD1-NH2 2.87Å
1014	R	48.6	Very low	46.6	Very low	168 Å²	168	55.2 Å²	55.2	63%	0.634	25%	0.253	S	S	*	.	H	α-helix	trans	-64.5	-57.1	175.2	-177.8	179.9	172.9	118.1	1.2	111.9	D890 R1011 W1012 T1016 R1017 L1018	D890-R1014 WeakPolarHBondContact OD2-CD 3.22Å; D890-R1014 IonicContact OD2-CZ 2.8Å; D890-R1014 IonicContact OD2-NE 3.55Å; D890-R1014 PolarHBondContact OD2-NE 2.81Å; R1011-R1014 WeakPolarHBondContact O-CB 3.34Å; R1011-R1014 PolarHBondContact O-N 3.07Å; W1012-R1014 PolarHBondContact O-N 3.29Å; R1014-T1016 VanDerWaalsContact C-N 3.33Å; R1014-T1016 PolarHBondContact O-N 2.95Å; R1014-R1017 PolarHBondContact O-N 2.87Å; R1014-L1018 HydrophobicContact CG-CD1 4.41Å; R1014-L1018 WeakPolarHBondContact O-CG 3.47Å; R1014-L1018 PolarHBondContact O-N 3.24Å
1015	S	45.9	Very low	45.4	Very low	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-45.2	-178.6	-36.5	0	0	0	0	111.3	D890 W1012 R1017 L1018 T1019	D890-S1015 WeakPolarHBondContact OD1-CA 3.4Å; D890-S1015 WeakPolarHBondContact OD1-CB 3.49Å; D890-S1015 PolarHBondContact OD1-N 3Å; D890-S1015 PolarHBondContact OD1-OG 2.89Å; W1012-S1015 PolarHBondContact O-N 3.11Å; S1015-R1017 PolarHBondContact O-N 2.84Å; S1015-L1018 PolarHBondContact O-N 3.27Å; S1015-T1019 PolarHBondContact O-N 3.08Å
1016	T	47.7	Very low	43.9	Very low	4 Å²	4	60.7 Å²	60.7	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-35.6	178.5	51.5	0	0	0	0	112.7	W544 I551 W1012 N1013 R1014 T1019 N1020	W544-T1016 HydrophobicContact CH2-CG2 4.09Å; W544-T1016 HydrophobicContact CZ2-CG2 3.75Å; I551-T1016 HydrophobicContact CD1-CG2 4.24Å; I551-T1016 WeakPolarHBondContact CG2-OG1 3.48Å; W1012-T1016 WeakPolarHBondContact O-CB 3.45Å; W1012-T1016 WeakPolarHBondContact O-CG2 3.41Å; W1012-T1016 PolarHBondContact O-N 3.42Å; W1012-T1016 PolarHBondContact O-OG1 2.96Å; N1013-T1016 WeakPolarHBondContact CA-OG1 3.23Å; N1013-T1016 PolarHBondContact O-OG1 2.88Å; N1013-T1016 VanDerWaalsContact O-OG1 3.14Å; R1014-T1016 VanDerWaalsContact C-N 3.33Å; R1014-T1016 PolarHBondContact O-N 2.95Å; T1016-T1019 PolarHBondContact O-OG1 3.05Å; T1016-N1020 PolarHBondContact O-ND2 2.94Å
1017	R	45.5	Very low	42.7	Very low	150 Å²	150	60.2 Å²	60.2	57%	0.566	28%	0.281	S	S	*	.	H	α-helix	trans	-63	-45.1	169.8	-75.5	169.6	-162.9	-162.2	5.1	112	N1013 R1014 S1015 T1019 N1020	N1013-R1017 WeakPolarHBondContact O-CB 3.04Å; N1013-R1017 WeakPolarHBondContact O-CD 3.17Å; N1013-R1017 WeakPolarHBondContact O-CG 3.41Å; N1013-R1017 PolarHBondContact O-N 3.1Å; N1013-R1017 VanDerWaalsContact OD1-CZ 3.25Å; N1013-R1017 PolarHBondContact OD1-NE 2.94Å; N1013-R1017 PolarHBondContact OD1-NH2 2.87Å; R1014-R1017 PolarHBondContact O-N 2.87Å; S1015-R1017 PolarHBondContact O-N 2.84Å; R1017-T1019 VanDerWaalsContact C-N 3.3Å; R1017-T1019 PolarHBondContact O-N 2.97Å; R1017-N1020 PolarHBondContact O-N 3.15Å; R1017-N1020 VanDerWaalsContact O-N 3.11Å
1018	L	44.4	Very low	41.8	Very low	55 Å²	55	57.4 Å²	57.4	29%	0.288	28%	0.278	S	S	.	.	I	π-helix	trans	-57.8	-39.1	179.4	-70.9	170.3	0	0	0	112.5	R1014 S1015 N1020 G1021	R1014-L1018 HydrophobicContact CG-CD1 4.41Å; R1014-L1018 WeakPolarHBondContact O-CG 3.47Å; R1014-L1018 PolarHBondContact O-N 3.24Å; S1015-L1018 PolarHBondContact O-N 3.27Å; L1018-N1020 PolarHBondContact O-N 3.35Å; L1018-G1021 PolarHBondContact O-N 3.05Å
1019	T	43	Very low	40.9	Very low	27 Å²	27	59.7 Å²	59.7	17%	0.166	30%	0.298	C	S	.	.	I	π-helix	trans	-58.4	-21.2	177.6	65.7	0	0	0	0	115	L893 S1015 T1016 R1017	L893-T1019 HydrophobicContact CB-CG2 3.77Å; L893-T1019 HydrophobicContact CD1-CG2 4.26Å; L893-T1019 HydrophobicContact CG-CG2 4.41Å; S1015-T1019 PolarHBondContact O-N 3.08Å; T1016-T1019 PolarHBondContact O-OG1 3.05Å; R1017-T1019 VanDerWaalsContact C-N 3.3Å; R1017-T1019 PolarHBondContact O-N 2.97Å
1020	N	40.3	Very low	39.8	Very low	38 Å²	38	63.3 Å²	63.3	20%	0.203	31%	0.312	C	S	.	.	I	π-helix	trans	-95.5	9.6	-173.9	-55.5	-56.2	0	0	0	114.1	K548 Q552 T1016 R1017 L1018 Y1058	K548-N1020 WeakPolarHBondContact CE-OD1 3.39Å; K548-N1020 PolarHBondContact NZ-OD1 3.26Å; Q552-N1020 VanDerWaalsContact NE2-CG 3.34Å; Q552-N1020 PolarHBondContact NE2-ND2 3.3Å; Q552-N1020 PolarHBondContact NE2-OD1 3.17Å; T1016-N1020 PolarHBondContact O-ND2 2.94Å; R1017-N1020 PolarHBondContact O-N 3.15Å; R1017-N1020 VanDerWaalsContact O-N 3.11Å; L1018-N1020 PolarHBondContact O-N 3.35Å; N1020-Y1058 HydrophobicContact CB-CE1 4.42Å
1021	G	32.4	Very low	38.9	Very low	30 Å²	30	65 Å²	65	31%	0.309	32%	0.319	S	S	.	.	I	π-helix	trans	118.7	-0.5	172	0	0	0	0	0	115.9	L1018 G1023 Y1024	L1018-G1021 PolarHBondContact O-N 3.05Å; G1021-G1023 PolarHBondContact O-N 3.04Å; G1021-Y1024 PolarHBondContact O-N 2.97Å
1022	G	31.3	Very low	38.1	Very low	22 Å²	22	64.7 Å²	64.7	23%	0.227	32%	0.317	C	S	.	.	I	π-helix	trans	-57.8	-30.8	-178.4	0	0	0	0	0	114.6	Y1024 A1025	G1022-Y1024 PolarHBondContact O-N 2.98Å; G1022-A1025 PolarHBondContact O-N 3.44Å
1023	G	31.5	Very low	37.3	Very low	16 Å²	16	69.7 Å²	69.7	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-23.2	-179.4	0	0	0	0	0	115.3	G1021	G1021-G1023 PolarHBondContact O-N 3.04Å
1024	Y	29.5	Very low	36.5	Very low	158 Å²	158	73.9 Å²	73.9	62%	0.62	37%	0.366	S	S	*	.	H	α-helix	trans	-72.2	-29.1	178.3	-74.6	-80.5	0	0	0	113.2	G1021 G1022 A1028	G1021-Y1024 PolarHBondContact O-N 2.97Å; G1022-Y1024 PolarHBondContact O-N 2.98Å; Y1024-A1028 WeakPolarHBondContact O-CB 2.97Å; Y1024-A1028 PolarHBondContact O-N 3.01Å
1025	A	30.3	Very low	35.6	Very low	33 Å²	33	73 Å²	73	27%	0.273	37%	0.374	S	S	.	.	H	α-helix	trans	-71.1	-41.4	-177	0	0	0	0	0	112.6	G1022 A1028 A1029 T1059	G1022-A1025 PolarHBondContact O-N 3.44Å; A1025-A1028 PolarHBondContact O-N 3.18Å; A1025-A1029 PolarHBondContact O-N 3.38Å; A1025-T1059 HydrophobicContact CB-CG2 3.54Å
1026	F	30.9	Very low	34.9	Very low	135 Å²	135	83.1 Å²	83.1	59%	0.592	41%	0.412	S	S	*	.	H	α-helix	trans	-62.1	-47.5	179.7	-113.2	-92.1	0	0	0	112.1	A1028 A1029 Y1030	F1026-A1028 VanDerWaalsContact C-N 3.35Å; F1026-A1028 PolarHBondContact O-N 3.49Å; F1026-A1029 PolarHBondContact O-N 3.38Å; F1026-Y1030 PolarHBondContact O-N 2.86Å
1027	N	30	Very low	34	Very low	54 Å²	54	87.5 Å²	87.5	29%	0.289	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-41.3	174.9	-90.9	-0.2	0	0	0	112.1	A1029 Y1030 Y1031	N1027-A1029 VanDerWaalsContact C-N 3.35Å; N1027-A1029 PolarHBondContact O-N 3.32Å; N1027-Y1030 PolarHBondContact O-N 3.35Å; N1027-Y1031 VanDerWaalsContact O-CD2 3.25Å; N1027-Y1031 WeakPolarHBondContact O-CD2 3.38Å; N1027-Y1031 PolarHBondContact O-N 3.03Å
1028	A	30.3	Very low	33.3	Very low	59 Å²	59	86.3 Å²	86.3	49%	0.488	45%	0.452	S	S	.	.	H	α-helix	trans	-64	-37.5	178.9	0	0	0	0	0	112.8	Y1024 A1025 F1026 R1032	Y1024-A1028 WeakPolarHBondContact O-CB 2.97Å; Y1024-A1028 PolarHBondContact O-N 3.01Å; A1025-A1028 PolarHBondContact O-N 3.18Å; F1026-A1028 VanDerWaalsContact C-N 3.35Å; F1026-A1028 PolarHBondContact O-N 3.49Å; A1028-R1032 WeakPolarHBondContact O-CB 3.31Å; A1028-R1032 PolarHBondContact O-N 2.81Å
1029	A	32	Very low	32.6	Very low	49 Å²	49	91.2 Å²	91.2	41%	0.405	48%	0.477	S	S	.	.	H	α-helix	trans	-68.2	-45.7	174.4	0	0	0	0	0	112.1	A1025 F1026 N1027 R1032 N1033	A1025-A1029 PolarHBondContact O-N 3.38Å; F1026-A1029 PolarHBondContact O-N 3.38Å; N1027-A1029 VanDerWaalsContact C-N 3.35Å; N1027-A1029 PolarHBondContact O-N 3.32Å; A1029-R1032 PolarHBondContact O-N 2.77Å; A1029-N1033 PolarHBondContact O-N 3.05Å
1030	Y	33.5	Very low	31.9	Very low	103 Å²	103	94.7 Å²	94.7	40%	0.404	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-49.3	-179.4	-173.8	-105.6	0	0	0	112.4	F1026 N1027 R1032 N1033 L1034	F1026-Y1030 PolarHBondContact O-N 2.86Å; N1027-Y1030 PolarHBondContact O-N 3.35Å; Y1030-R1032 VanDerWaalsContact C-N 3.34Å; Y1030-R1032 PolarHBondContact O-N 2.96Å; Y1030-N1033 PolarHBondContact O-N 3.02Å; Y1030-L1034 HydrophobicContact CD1-CD1 3.85Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.34Å; Y1030-L1034 HydrophobicContact CE2-CD1 4.44Å; Y1030-L1034 PolarHBondContact O-N 3.01Å
1031	Y	32.9	Very low	31.3	Very low	146 Å²	146	100 Å²	100	57%	0.573	53%	0.531	S	S	*	.	H	α-helix	trans	-68.6	-27.5	178.3	-75	-64.7	0	0	0	113.7	N1027 N1033 L1035	N1027-Y1031 VanDerWaalsContact O-CD2 3.25Å; N1027-Y1031 WeakPolarHBondContact O-CD2 3.38Å; N1027-Y1031 PolarHBondContact O-N 3.03Å; Y1031-N1033 VanDerWaalsContact C-N 3.34Å; Y1031-N1033 PolarHBondContact O-N 2.71Å; Y1031-L1035 WeakPolarHBondContact O-CG 3.26Å; Y1031-L1035 PolarHBondContact O-N 3.03Å
1032	R	31.5	Very low	31.2	Very low	94 Å²	94	106.3 Å²	106.3	36%	0.355	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-39	173.1	-100.8	178.3	168.1	-174.4	-3.4	112.2	A1028 A1029 Y1030 P1051 D1064	A1028-R1032 WeakPolarHBondContact O-CB 3.31Å; A1028-R1032 PolarHBondContact O-N 2.81Å; A1029-R1032 PolarHBondContact O-N 2.77Å; Y1030-R1032 VanDerWaalsContact C-N 3.34Å; Y1030-R1032 PolarHBondContact O-N 2.96Å; R1032-P1051 PolarHBondContact NH2-O 3.4Å; R1032-P1051 VanDerWaalsContact NH2-O 3.1Å; R1032-D1064 IonicContact CZ-OD1 3.62Å; R1032-D1064 IonicContact NH1-OD1 2.77Å; R1032-D1064 PolarHBondContact NH1-OD1 3.21Å; R1032-D1064 IonicContact NH1-OD2 3.12Å
1033	N	38.6	Very low	31	Very low	111 Å²	111	114 Å²	114	59%	0.594	59%	0.587	S	S	*	*	H	α-helix	trans	-79.4	-35.2	-179.8	-77.6	-20.5	0	0	0	113.1	A1029 Y1030 Y1031 L1035 R1036	A1029-N1033 PolarHBondContact O-N 3.05Å; Y1030-N1033 PolarHBondContact O-N 3.02Å; Y1031-N1033 VanDerWaalsContact C-N 3.34Å; Y1031-N1033 PolarHBondContact O-N 2.71Å; N1033-L1035 PolarHBondContact O-N 3.05Å; N1033-R1036 WeakPolarHBondContact O-CB 3.5Å; N1033-R1036 PolarHBondContact O-N 3.1Å
1034	L	36.6	Very low	31	Very low	100 Å²	100	122.1 Å²	122.1	52%	0.524	62%	0.62	S	S	.	*	H	α-helix	trans	-64.2	-25.1	175.8	-95.2	160.6	0	0	0	113.8	Y1030 R1036	Y1030-L1034 HydrophobicContact CD1-CD1 3.85Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.34Å; Y1030-L1034 HydrophobicContact CE2-CD1 4.44Å; Y1030-L1034 PolarHBondContact O-N 3.01Å; L1034-R1036 PolarHBondContact O-N 3.21Å
1035	L	29.9	Very low	30.8	Very low	150 Å²	150	123.3 Å²	123.3	79%	0.785	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	2.9	171.9	-70.9	169.7	0	0	0	113.9	Y1031 N1033	Y1031-L1035 WeakPolarHBondContact O-CG 3.26Å; Y1031-L1035 PolarHBondContact O-N 3.03Å; N1033-L1035 PolarHBondContact O-N 3.05Å
1036	R	30.1	Very low	30.6	Very low	212 Å²	212	130.6 Å²	130.6	80%	0.8	66%	0.659	S	S	*	*			trans	-105.2	45.1	-177.5	-154.9	175.8	-178.7	178.4	-1.4	113.6	N1033 L1034	N1033-R1036 WeakPolarHBondContact O-CB 3.5Å; N1033-R1036 PolarHBondContact O-N 3.1Å; L1034-R1036 PolarHBondContact O-N 3.21Å
1037	S	30.1	Very low	30.4	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	67%	0.673	S	S	*	*			trans	-140.9	145.7	161.3	65.3	0	0	0	0	109.3
1038	T	29.7	Very low	30.2	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	69%	0.694	S	S	*	*			cis	-115.9	151.8	6.4	46.7	0	0	0	0	112.3	S1040	T1038-S1040 PolarHBondContact O-N 2.79Å
1039	I	29.7	Very low	30	Very low	158 Å²	158	140.5 Å²	140.5	81%	0.81	71%	0.71	S	S	*	*			trans	-85.8	97.4	166.6	-61.5	172	0	0	0	107.6
1040	S	29.2	Very low	29.7	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	72%	0.722	S	S	*	*			trans	-80.4	124.2	159.3	53.2	0	0	0	0	108.5	T1038 D1042	T1038-S1040 PolarHBondContact O-N 2.79Å; S1040-D1042 PolarHBondContact O-N 3.37Å; S1040-D1042 VanDerWaalsContact O-N 3.08Å
1041	N	26.7	Very low	29.3	Very low	149 Å²	149	143.7 Å²	143.7	80%	0.797	73%	0.731	S	S	*	*			trans	-67.2	105.3	-177.7	-65.9	-27.1	0	0	0	111.5
1042	D	30.5	Very low	28.9	Very low	162 Å²	162	148 Å²	148	87%	0.866	75%	0.746	S	S	*	*			trans	-148.6	126.2	155.8	-100.4	-42.9	0	0	0	110.1	S1040 H1044	S1040-D1042 PolarHBondContact O-N 3.37Å; S1040-D1042 VanDerWaalsContact O-N 3.08Å; D1042-H1044 PolarHBondContact O-N 2.7Å
1043	H	27.6	Very low	28.7	Very low	185 Å²	185	149 Å²	149	86%	0.856	76%	0.763	S	S	*	*			trans	-83.4	97.8	179.7	-77.3	-85.8	0	0	0	111
1044	H	31.4	Very low	28	Very low	185 Å²	185	148.5 Å²	148.5	86%	0.856	77%	0.768	S	S	*	*			trans	-155	160.5	151.9	-87.7	-42.8	0	0	0	112.9	D1042 H1046	D1042-H1044 PolarHBondContact O-N 2.7Å; H1044-H1046 PolarHBondContact O-N 3.27Å
1045	H	26.2	Very low	27.4	Very low	184 Å²	184	150.3 Å²	150.3	85%	0.852	78%	0.784	S	S	*	*			trans	-67.4	119.3	-168.9	-66.1	-87	0	0	0	113.7
1046	H	26.4	Very low	27.3	Very low	186 Å²	186	147.2 Å²	147.2	86%	0.861	78%	0.775	S	S	*	*			trans	-135.6	132.2	153.6	-86.8	-72.5	0	0	0	111.2	H1044 S1048	H1044-H1046 PolarHBondContact O-N 3.27Å; H1046-S1048 PolarHBondContact O-N 3.26Å
1047	Q	25.6	Very low	27.1	Very low	190 Å²	190	142.6 Å²	142.6	89%	0.888	77%	0.772	S	S	*	*			trans	-71.9	120.7	173.5	-69.2	171.6	-39.8	0	0	109.3	I1049	Q1047-I1049 PolarHBondContact O-N 3.04Å
1048	S	26.2	Very low	26.9	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	77%	0.766	S	S	*	*			trans	-71.1	110.5	175.6	42.6	0	0	0	0	110.6	H1046 I1050	H1046-S1048 PolarHBondContact O-N 3.26Å; S1048-I1050 PolarHBondContact O-N 3.22Å
1049	I	25.8	Very low	26.9	Very low	163 Å²	163	141.2 Å²	141.2	84%	0.836	75%	0.745	S	S	*	*			trans	-74	98.8	177.4	-60.4	174.1	0	0	0	108.6	Q1047 P1051	Q1047-I1049 PolarHBondContact O-N 3.04Å; I1049-P1051 WeakPolarHBondContact O-CD 3.24Å
1050	I	26.9	Very low	26.8	Very low	128 Å²	128	137.1 Å²	137.1	66%	0.656	74%	0.742	S	S	*	*			trans	-81.6	116.3	176	-58.8	172.5	0	0	0	109.2	S1048 R1052	S1048-I1050 PolarHBondContact O-N 3.22Å; I1050-R1052 PolarHBondContact O-N 2.91Å; I1050-R1052 VanDerWaalsContact O-N 3.15Å
1051	P	23.7	Very low	27	Very low	91 Å²	91	143.5 Å²	143.5	59%	0.591	75%	0.75	S	S	*	*			trans	-72.2	108.8	173.9	29.1	-32.9	0	0	0	110.3	R1032 I1049 T1053	R1032-P1051 PolarHBondContact NH2-O 3.4Å; R1032-P1051 VanDerWaalsContact NH2-O 3.1Å; I1049-P1051 WeakPolarHBondContact O-CD 3.24Å; P1051-T1053 PolarHBondContact O-N 2.96Å
1052	R	25.5	Very low	27.3	Very low	236 Å²	236	140.9 Å²	140.9	89%	0.891	74%	0.736	S	S	*	*			trans	-75.7	103.5	170.9	-69.9	-178.7	174.7	180	-2.7	109.9	I1050 S1054	I1050-R1052 PolarHBondContact O-N 2.91Å; I1050-R1052 VanDerWaalsContact O-N 3.15Å; R1052-S1054 PolarHBondContact O-N 3.29Å
1053	T	26.8	Very low	27.6	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	71%	0.709	S	S	*	*			trans	-78.3	94.9	168.6	43.5	0	0	0	0	109.8	P1051	P1051-T1053 PolarHBondContact O-N 2.96Å
1054	S	24.1	Very low	27.8	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	69%	0.694	S	S	*	*			trans	-67.2	138.7	174.7	52.6	0	0	0	0	112.1	R1052	R1052-S1054 PolarHBondContact O-N 3.29Å
1055	T	24.4	Very low	28.1	Very low	139 Å²	139	128.8 Å²	128.8	85%	0.853	68%	0.683	S	S	*	*			trans	56	87.1	158.2	57.8	0	0	0	0	117.6
1056	S	27	Very low	28.9	Very low	85 Å²	85	122.4 Å²	122.4	59%	0.594	66%	0.66	S	S	*	*			trans	-127.3	138.2	133.6	86.4	0	0	0	0	108.6	Y1058	S1056-Y1058 VanDerWaalsContact C-N 3.27Å; S1056-Y1058 PolarHBondContact O-N 2.96Å
1057	P	25	Very low	29.4	Very low	115 Å²	115	116.5 Å²	116.5	75%	0.747	63%	0.633	S	S	*	*	S	Bend	trans	-86.3	16.5	-169.1	34.9	-37.7	0	0	0	114.4
1058	Y	27.3	Very low	29.9	Very low	138 Å²	138	112.2 Å²	112.2	54%	0.541	62%	0.615	S	S	.	*	S	Bend	trans	-107.5	5.2	-160.4	-72	-67.3	0	0	0	116.6	N1020 S1056	N1020-Y1058 HydrophobicContact CB-CE1 4.42Å; S1056-Y1058 VanDerWaalsContact C-N 3.27Å; S1056-Y1058 PolarHBondContact O-N 2.96Å
1059	T	30.2	Very low	30.7	Very low	54 Å²	54	110 Å²	110	33%	0.331	60%	0.595	S	S	.	*			trans	-135.2	63.5	178.7	54.4	0	0	0	0	113.6	A1025 W1061 L1062	A1025-T1059 HydrophobicContact CB-CG2 3.54Å; T1059-W1061 PolarHBondContact O-N 2.8Å; T1059-L1062 CarbonylContact O-C 3.24Å; T1059-L1062 PolarHBondContact O-N 3.33Å
1060	G	27.3	Very low	31.4	Very low	71 Å²	71	104.4 Å²	104.4	73%	0.732	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	171.1	0	0	0	0	0	114.5
1061	W	32.2	Very low	31.8	Very low	234 Å²	234	102.1 Å²	102.1	89%	0.886	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-8.1	-175.2	-64.4	56.4	0	0	0	113	T1059	T1059-W1061 PolarHBondContact O-N 2.8Å
1062	L	34	Very low	32.6	Very low	94 Å²	94	102.9 Å²	102.9	49%	0.492	56%	0.561	S	S	.	*	S	Bend	trans	-136.8	66.6	176.2	-81.3	166.8	0	0	0	107.6	T1059 I1067	T1059-L1062 CarbonylContact O-C 3.24Å; T1059-L1062 PolarHBondContact O-N 3.33Å; L1062-I1067 HydrophobicContact CB-CD1 4.4Å; L1062-I1067 HydrophobicContact CD2-CD1 4.07Å; L1062-I1067 HydrophobicContact CD2-CG1 3.93Å
1063	S	36.3	Very low	33.4	Very low	44 Å²	44	97.4 Å²	97.4	31%	0.308	54%	0.54	S	S	.	.			trans	-74.2	152.7	171	64.8	0	0	0	0	109.3	E1065 S1066 I1067	S1063-E1065 PolarHBondContact O-N 2.87Å; S1063-S1066 PolarHBondContact N-OG 3.32Å; S1063-S1066 PolarHBondContact O-N 2.86Å; S1063-S1066 PolarHBondContact O-OG 3.18Å; S1063-S1066 PolarHBondContact OG-N 2.88Å; S1063-S1066 PolarHBondContact OG-OG 3.3Å; S1063-I1067 WeakPolarHBondContact O-CG1 3.48Å; S1063-I1067 PolarHBondContact O-N 3Å; S1063-I1067 VanDerWaalsContact O-N 3.13Å
1064	D	32.7	Very low	33.7	Very low	101 Å²	101	96.1 Å²	96.1	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-54.6	-27.3	171.3	-77	-39.8	0	0	0	110.4	R1032 M1068	R1032-D1064 IonicContact CZ-OD1 3.62Å; R1032-D1064 IonicContact NH1-OD1 2.77Å; R1032-D1064 PolarHBondContact NH1-OD1 3.21Å; R1032-D1064 IonicContact NH1-OD2 3.12Å; D1064-M1068 WeakPolarHBondContact O-CB 3.45Å; D1064-M1068 WeakPolarHBondContact O-CG 3.39Å; D1064-M1068 PolarHBondContact O-N 3.18Å; D1064-M1068 VanDerWaalsContact O-N 3.11Å
1065	E	37.8	Very low	34.1	Very low	133 Å²	133	97.8 Å²	97.8	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-75	-45.9	178.1	-167.6	164.1	-139.8	0	0	113.4	S1063 I1067 M1068 N1069	S1063-E1065 PolarHBondContact O-N 2.87Å; E1065-I1067 VanDerWaalsContact C-N 3.34Å; E1065-I1067 PolarHBondContact O-N 3.46Å; E1065-M1068 PolarHBondContact O-N 2.96Å; E1065-N1069 PolarHBondContact O-N 3Å
1066	S	41.7	Very low	34.4	Very low	51 Å²	51	97.9 Å²	97.9	36%	0.357	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-35	177.2	66.7	0	0	0	0	112.2	S1063 N1069 A1070	S1063-S1066 PolarHBondContact N-OG 3.32Å; S1063-S1066 PolarHBondContact O-N 2.86Å; S1063-S1066 PolarHBondContact O-OG 3.18Å; S1063-S1066 PolarHBondContact OG-N 2.88Å; S1063-S1066 PolarHBondContact OG-OG 3.3Å; S1066-N1069 PolarHBondContact O-N 2.87Å; S1066-A1070 WeakPolarHBondContact O-CB 3.46Å; S1066-A1070 PolarHBondContact O-N 3.47Å
1067	I	36.5	Very low	34.8	Very low	61 Å²	61	100 Å²	100	31%	0.313	54%	0.54	S	S	.	.	H	α-helix	trans	-64.9	-43	172.4	-63.4	168.9	0	0	0	110.5	L1062 S1063 E1065 A1070 L1071	L1062-I1067 HydrophobicContact CB-CD1 4.4Å; L1062-I1067 HydrophobicContact CD2-CD1 4.07Å; L1062-I1067 HydrophobicContact CD2-CG1 3.93Å; S1063-I1067 WeakPolarHBondContact O-CG1 3.48Å; S1063-I1067 PolarHBondContact O-N 3Å; S1063-I1067 VanDerWaalsContact O-N 3.13Å; E1065-I1067 VanDerWaalsContact C-N 3.34Å; E1065-I1067 PolarHBondContact O-N 3.46Å; I1067-A1070 PolarHBondContact O-N 3.17Å; I1067-L1071 HydrophobicContact CG2-CD1 3.93Å; I1067-L1071 HydrophobicContact CG2-CG 4.47Å; I1067-L1071 WeakPolarHBondContact O-CB 3.4Å; I1067-L1071 VanDerWaalsContact O-CG 3.28Å; I1067-L1071 WeakPolarHBondContact O-CG 3.39Å; I1067-L1071 PolarHBondContact O-N 3.36Å
1068	M	35.8	Very low	35.1	Very low	100 Å²	100	97.3 Å²	97.3	49%	0.493	53%	0.528	S	S	.	.	H	α-helix	trans	-67.6	-37.6	176.7	-74.9	-70	-66.2	0	0	112.6	D1064 E1065 L1071 N1072	D1064-M1068 WeakPolarHBondContact O-CB 3.45Å; D1064-M1068 WeakPolarHBondContact O-CG 3.39Å; D1064-M1068 PolarHBondContact O-N 3.18Å; D1064-M1068 VanDerWaalsContact O-N 3.11Å; E1065-M1068 PolarHBondContact O-N 2.96Å; M1068-L1071 PolarHBondContact O-N 3.04Å; M1068-N1072 VanDerWaalsContact O-CB 3.25Å; M1068-N1072 WeakPolarHBondContact O-CB 3.24Å; M1068-N1072 PolarHBondContact O-N 2.82Å; M1068-N1072 PolarHBondContact O-ND2 2.96Å
1069	N	44.4	Very low	35.5	Very low	56 Å²	56	95 Å²	95	30%	0.299	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-39.9	174.2	-79	6.4	0	0	0	111.8	E562 E1065 S1066 R1073	E562-N1069 PolarHBondContact OE1-ND2 3.27Å; E1065-N1069 PolarHBondContact O-N 3Å; S1066-N1069 PolarHBondContact O-N 2.87Å; N1069-R1073 VanDerWaalsContact O-CG 3.28Å; N1069-R1073 WeakPolarHBondContact O-CG 3.31Å; N1069-R1073 PolarHBondContact O-N 2.93Å
1070	A	40.2	Very low	35.7	Very low	46 Å²	46	100.3 Å²	100.3	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-44.9	173.3	0	0	0	0	0	112.3	S1066 I1067 R1073	S1066-A1070 WeakPolarHBondContact O-CB 3.46Å; S1066-A1070 PolarHBondContact O-N 3.47Å; I1067-A1070 PolarHBondContact O-N 3.17Å; A1070-R1073 PolarHBondContact O-N 3.23Å
1071	L	35.1	Very low	36.2	Very low	80 Å²	80	102.7 Å²	102.7	42%	0.419	54%	0.544	S	S	.	.	H	α-helix	trans	-65.8	-39.5	177.4	-71.3	170.7	0	0	0	112.6	I1067 M1068 R1073 I1074	I1067-L1071 HydrophobicContact CG2-CD1 3.93Å; I1067-L1071 HydrophobicContact CG2-CG 4.47Å; I1067-L1071 WeakPolarHBondContact O-CB 3.4Å; I1067-L1071 VanDerWaalsContact O-CG 3.28Å; I1067-L1071 WeakPolarHBondContact O-CG 3.39Å; I1067-L1071 PolarHBondContact O-N 3.36Å; M1068-L1071 PolarHBondContact O-N 3.04Å; L1071-R1073 VanDerWaalsContact C-N 3.25Å; L1071-R1073 PolarHBondContact O-N 3.26Å; L1071-I1074 PolarHBondContact O-N 3.44Å
1072	N	41.3	Very low	36.3	Very low	108 Å²	108	96 Å²	96	58%	0.578	53%	0.526	S	S	*	.	H	α-helix	trans	-68.7	-21.9	177.9	-72.6	-23.9	0	0	0	113.2	M1068	M1068-N1072 VanDerWaalsContact O-CB 3.25Å; M1068-N1072 WeakPolarHBondContact O-CB 3.24Å; M1068-N1072 PolarHBondContact O-N 2.82Å; M1068-N1072 PolarHBondContact O-ND2 2.96Å
1073	R	40.7	Very low	36.4	Very low	121 Å²	121	94.9 Å²	94.9	46%	0.457	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.5	176.2	-73.6	172.1	-177.3	-121.6	8.9	113.4	E562 N565 N1069 A1070 L1071	E562-R1073 IonicContact OE2-CZ 2.74Å; E562-R1073 IonicContact OE2-NH2 2.69Å; E562-R1073 PolarHBondContact OE2-NH2 3.48Å; N565-R1073 PolarHBondContact OD1-NH1 3.45Å; N1069-R1073 VanDerWaalsContact O-CG 3.28Å; N1069-R1073 WeakPolarHBondContact O-CG 3.31Å; N1069-R1073 PolarHBondContact O-N 2.93Å; A1070-R1073 PolarHBondContact O-N 3.23Å; L1071-R1073 VanDerWaalsContact C-N 3.25Å; L1071-R1073 PolarHBondContact O-N 3.26Å
1074	I	33.1	Very low	36.4	Very low	88 Å²	88	98.2 Å²	98.2	45%	0.451	52%	0.524	S	S	.	.			trans	-111.3	96.4	-175.2	-63.6	166	0	0	0	110.5	L1071 F1083	L1071-I1074 PolarHBondContact O-N 3.44Å; I1074-F1083 HydrophobicContact CD1-CD2 3.96Å; I1074-F1083 HydrophobicContact CD1-CE2 3.61Å
1075	V	32.2	Very low	36.6	Very low	134 Å²	134	96.4 Å²	96.4	81%	0.812	51%	0.511	S	S	*	.			trans	-94.1	8.4	-168.9	-176.2	0	0	0	0	113.3
1076	L	32.7	Very low	36.5	Very low	141 Å²	141	93.4 Å²	93.4	74%	0.738	50%	0.502	S	S	*	.	S	Bend	trans	-129.8	141.9	-177.6	-80.5	162.5	0	0	0	112.3	A1078	L1076-A1078 VanDerWaalsContact C-N 3.28Å; L1076-A1078 PolarHBondContact O-N 3.12Å
1077	P	33.6	Very low	36.3	Very low	129 Å²	129	95 Å²	95	84%	0.838	51%	0.506	S	S	*	.			trans	-78.1	74.2	178.8	33.6	-35.5	0	0	0	111.3
1078	A	32.1	Very low	36.3	Very low	60 Å²	60	95.3 Å²	95.3	50%	0.496	50%	0.504	S	S	.	.			trans	-70.9	145.4	170.8	0	0	0	0	0	111.1	L1076	L1076-A1078 VanDerWaalsContact C-N 3.28Å; L1076-A1078 PolarHBondContact O-N 3.12Å
1079	P	36.5	Very low	36.4	Very low	89 Å²	89	94.6 Å²	94.6	58%	0.578	50%	0.499	S	S	*	.			trans	-63	144	173	27.1	-34	0	0	0	111.1	D1081 N1082	P1079-D1081 PolarHBondContact O-N 2.83Å; P1079-N1082 PolarHBondContact O-N 2.78Å; P1079-N1082 VanDerWaalsContact O-N 3.14Å
1080	F	33.2	Very low	36	Very low	166 Å²	166	95.8 Å²	95.8	73%	0.728	51%	0.505	S	S	*	.	H	α-helix	trans	-53.7	-31.6	-169.6	-93.5	-94.2	0	0	0	114.6	N1082 F1083	F1080-N1082 VanDerWaalsContact C-N 3.28Å; F1080-N1082 PolarHBondContact O-N 2.82Å; F1080-F1083 PolarHBondContact O-N 3.15Å; F1080-F1083 VanDerWaalsContact O-N 3.16Å
1081	D	37.8	Very low	35.8	Very low	120 Å²	120	95.5 Å²	95.5	64%	0.642	50%	0.503	S	S	*	.	H	α-helix	trans	-61	-35.3	-178	-52	-46.7	0	0	0	112.6	P1079 K1085	P1079-D1081 PolarHBondContact O-N 2.83Å; D1081-K1085 WeakPolarHBondContact O-CB 3.43Å; D1081-K1085 PolarHBondContact O-N 3.04Å
1082	N	35.7	Very low	35.9	Very low	93 Å²	93	94.3 Å²	94.3	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-74.1	-24	179	-93	5.9	0	0	0	113.6	P1079 F1080 T1086	P1079-N1082 PolarHBondContact O-N 2.78Å; P1079-N1082 VanDerWaalsContact O-N 3.14Å; F1080-N1082 VanDerWaalsContact C-N 3.28Å; F1080-N1082 PolarHBondContact O-N 2.82Å; N1082-T1086 PolarHBondContact O-N 2.87Å; N1082-T1086 PolarHBondContact O-OG1 3.24Å
1083	F	35.2	Very low	35.6	Very low	72 Å²	72	93 Å²	93	32%	0.316	49%	0.489	S	S	.	.	H	α-helix	trans	-74	-44.2	-178.4	-177.1	-84.2	0	0	0	111.2	I1074 F1080 T1086 L1087	I1074-F1083 HydrophobicContact CD1-CD2 3.96Å; I1074-F1083 HydrophobicContact CD1-CE2 3.61Å; F1080-F1083 PolarHBondContact O-N 3.15Å; F1080-F1083 VanDerWaalsContact O-N 3.16Å; F1083-T1086 PolarHBondContact O-OG1 3.42Å; F1083-L1087 HydrophobicContact CD1-CD1 3.92Å; F1083-L1087 HydrophobicContact CE1-CD1 3.52Å; F1083-L1087 HydrophobicContact CZ-CD1 4.3Å; F1083-L1087 PolarHBondContact O-N 3.18Å
1084	Y	36.9	Very low	35.3	Very low	114 Å²	114	96 Å²	96	45%	0.447	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-40.3	171.1	-83.7	-80.7	0	0	0	110.9	Y962 T1086 L1087 Y1088	Y962-Y1084 PolarHBondContact OH-O 3.47Å; Y1084-T1086 PolarHBondContact O-N 3.39Å; Y1084-L1087 PolarHBondContact O-N 2.87Å; Y1084-Y1088 PolarHBondContact O-N 2.91Å
1085	K	35.6	Very low	35.4	Very low	63 Å²	63	97.5 Å²	97.5	27%	0.274	51%	0.51	S	S	.	.	H	α-helix	trans	-53.6	-49.6	174.7	-171.2	-174.1	-176.5	131.6	0	112.8	Y966 D1081 L1087 Y1088 E1089	Y966-K1085 VanDerWaalsContact OH-CD 3.28Å; Y966-K1085 WeakPolarHBondContact OH-CD 3.42Å; Y966-K1085 WeakPolarHBondContact OH-CE 3.28Å; Y966-K1085 PolarHBondContact OH-NZ 2.94Å; D1081-K1085 WeakPolarHBondContact O-CB 3.43Å; D1081-K1085 PolarHBondContact O-N 3.04Å; K1085-L1087 PolarHBondContact O-N 3.5Å; K1085-Y1088 CarbonylContact O-C 3.49Å; K1085-Y1088 WeakPolarHBondContact O-CA 3.46Å; K1085-Y1088 PolarHBondContact O-N 3.27Å; K1085-E1089 WeakPolarHBondContact CE-OE1 3.31Å; K1085-E1089 HydrophobicContact CG-CG 4.47Å; K1085-E1089 IonicContact NZ-OE1 2.67Å; K1085-E1089 WeakPolarHBondContact O-CG 3.37Å; K1085-E1089 PolarHBondContact O-N 3.4Å
1086	T	36.9	Very low	35.5	Very low	69 Å²	69	97 Å²	97	42%	0.423	50%	0.502	S	S	.	.	H	α-helix	trans	-66.6	-34.4	179.5	30.3	0	0	0	0	112.9	N1082 F1083 Y1084 E1089 I1090	N1082-T1086 PolarHBondContact O-N 2.87Å; N1082-T1086 PolarHBondContact O-OG1 3.24Å; F1083-T1086 PolarHBondContact O-OG1 3.42Å; Y1084-T1086 PolarHBondContact O-N 3.39Å; T1086-E1089 PolarHBondContact O-N 2.82Å; T1086-I1090 VanDerWaalsContact O-CB 3.31Å; T1086-I1090 WeakPolarHBondContact O-CB 3.17Å; T1086-I1090 WeakPolarHBondContact O-CD1 3.4Å; T1086-I1090 WeakPolarHBondContact O-CG1 3.36Å; T1086-I1090 PolarHBondContact O-N 3.34Å
1087	L	37.3	Very low	35.5	Very low	86 Å²	86	96.4 Å²	96.4	45%	0.45	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-39.7	171.3	-76.9	166.8	0	0	0	112.6	F1083 Y1084 K1085 A1091	F1083-L1087 HydrophobicContact CD1-CD1 3.92Å; F1083-L1087 HydrophobicContact CE1-CD1 3.52Å; F1083-L1087 HydrophobicContact CZ-CD1 4.3Å; F1083-L1087 PolarHBondContact O-N 3.18Å; Y1084-L1087 PolarHBondContact O-N 2.87Å; K1085-L1087 PolarHBondContact O-N 3.5Å; L1087-A1091 WeakPolarHBondContact O-CB 3.38Å; L1087-A1091 PolarHBondContact O-N 3.31Å
1088	Y	36.2	Very low	35.6	Very low	66 Å²	66	97.5 Å²	97.5	26%	0.259	48%	0.484	S	S	.	.	H	α-helix	trans	-53.8	-55.1	167.3	158.6	-21.4	0	0	0	113.2	Y962 Y1084 K1085 A1091 N1092	Y962-Y1088 HydrophobicContact CE1-CD1 4.09Å; Y962-Y1088 HydrophobicContact CE1-CD2 4.23Å; Y962-Y1088 AromaticContact CE1-CG 3.88Å; Y962-Y1088 HydrophobicContact CE1-CG 3.88Å; Y962-Y1088 AromaticContact CZ-CG 3.98Å; Y962-Y1088 VanDerWaalsContact OH-CB 3.24Å; Y962-Y1088 WeakPolarHBondContact OH-CB 3.48Å; Y962-Y1088 PolarHBondContact OH-N 3.23Å; Y1084-Y1088 PolarHBondContact O-N 2.91Å; K1085-Y1088 CarbonylContact O-C 3.49Å; K1085-Y1088 WeakPolarHBondContact O-CA 3.46Å; K1085-Y1088 PolarHBondContact O-N 3.27Å; Y1088-A1091 PolarHBondContact O-N 3.07Å; Y1088-N1092 WeakPolarHBondContact CD2-OD1 3.49Å; Y1088-N1092 VanDerWaalsContact CE1-ND2 3.31Å; Y1088-N1092 WeakPolarHBondContact CE1-ND2 3.44Å; Y1088-N1092 WeakPolarHBondContact CE2-OD1 3.48Å; Y1088-N1092 WeakPolarHBondContact O-CB 3.38Å; Y1088-N1092 PolarHBondContact O-N 3.18Å
1089	E	37	Very low	35.5	Very low	86 Å²	86	103.7 Å²	103.7	40%	0.402	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-42.9	-179.6	-71.3	166.3	162.8	0	0	110.9	K1085 T1086 A1091 N1092 L1093	K1085-E1089 WeakPolarHBondContact CE-OE1 3.31Å; K1085-E1089 HydrophobicContact CG-CG 4.47Å; K1085-E1089 IonicContact NZ-OE1 2.67Å; K1085-E1089 WeakPolarHBondContact O-CG 3.37Å; K1085-E1089 PolarHBondContact O-N 3.4Å; T1086-E1089 PolarHBondContact O-N 2.82Å; E1089-A1091 PolarHBondContact O-N 3.13Å; E1089-N1092 PolarHBondContact O-N 3.46Å; E1089-L1093 VanDerWaalsContact O-CB 3.25Å; E1089-L1093 WeakPolarHBondContact O-CB 3.35Å; E1089-L1093 WeakPolarHBondContact O-CD1 3.22Å; E1089-L1093 WeakPolarHBondContact O-CG 3.4Å; E1089-L1093 PolarHBondContact O-N 2.61Å
1090	I	37.4	Very low	35.1	Very low	80 Å²	80	106.2 Å²	106.2	41%	0.41	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-45	175.5	-69.9	163.2	0	0	0	111.8	T1086 W1094	T1086-I1090 VanDerWaalsContact O-CB 3.31Å; T1086-I1090 WeakPolarHBondContact O-CB 3.17Å; T1086-I1090 WeakPolarHBondContact O-CD1 3.4Å; T1086-I1090 WeakPolarHBondContact O-CG1 3.36Å; T1086-I1090 PolarHBondContact O-N 3.34Å; I1090-W1094 HydrophobicContact CG2-CD2 4.3Å; I1090-W1094 HydrophobicContact CG2-CZ2 4.45Å; I1090-W1094 WeakPolarHBondContact O-CB 3.35Å; I1090-W1094 PolarHBondContact O-N 3.41Å
1091	A	36.4	Very low	34.7	Very low	41 Å²	41	103.8 Å²	103.8	34%	0.339	50%	0.502	S	S	.	.	H	α-helix	trans	-68.6	-41.9	179.1	0	0	0	0	0	112.1	L1087 Y1088 E1089 W1094 D1095	L1087-A1091 WeakPolarHBondContact O-CB 3.38Å; L1087-A1091 PolarHBondContact O-N 3.31Å; Y1088-A1091 PolarHBondContact O-N 3.07Å; E1089-A1091 PolarHBondContact O-N 3.13Å; A1091-W1094 PolarHBondContact O-N 2.84Å; A1091-D1095 WeakPolarHBondContact O-CB 3.47Å; A1091-D1095 PolarHBondContact O-N 3.48Å
1092	N	35.1	Very low	34.2	Very low	55 Å²	55	105.6 Å²	105.6	29%	0.294	51%	0.507	S	S	.	.	H	α-helix	trans	-70.7	-33.2	177.7	-78.3	-6.6	0	0	0	112.5	Y1088 E1089 N1096	Y1088-N1092 WeakPolarHBondContact CD2-OD1 3.49Å; Y1088-N1092 VanDerWaalsContact CE1-ND2 3.31Å; Y1088-N1092 WeakPolarHBondContact CE1-ND2 3.44Å; Y1088-N1092 WeakPolarHBondContact CE2-OD1 3.48Å; Y1088-N1092 WeakPolarHBondContact O-CB 3.38Å; Y1088-N1092 PolarHBondContact O-N 3.18Å; E1089-N1092 PolarHBondContact O-N 3.46Å; N1092-N1096 VanDerWaalsContact O-CB 3.29Å; N1092-N1096 WeakPolarHBondContact O-CB 3.49Å; N1092-N1096 PolarHBondContact O-N 3.04Å; N1092-N1096 PolarHBondContact O-ND2 3.17Å
1093	L	35.2	Very low	33.8	Very low	81 Å²	81	107.6 Å²	107.6	42%	0.424	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-45	171.6	-70.9	164.1	0	0	0	109.7	E1089 D1095 N1096 E1097	E1089-L1093 VanDerWaalsContact O-CB 3.25Å; E1089-L1093 WeakPolarHBondContact O-CB 3.35Å; E1089-L1093 WeakPolarHBondContact O-CD1 3.22Å; E1089-L1093 WeakPolarHBondContact O-CG 3.4Å; E1089-L1093 PolarHBondContact O-N 2.61Å; L1093-D1095 PolarHBondContact O-N 2.76Å; L1093-N1096 PolarHBondContact O-N 2.97Å; L1093-E1097 VanDerWaalsContact CD2-CD 3.44Å; L1093-E1097 HydrophobicContact CD2-CG 4.16Å; L1093-E1097 WeakPolarHBondContact CD2-OE1 3.26Å; L1093-E1097 WeakPolarHBondContact CD2-OE2 3.37Å; L1093-E1097 VanDerWaalsContact O-CB 3.24Å; L1093-E1097 WeakPolarHBondContact O-CB 3.48Å; L1093-E1097 WeakPolarHBondContact O-CG 3.34Å; L1093-E1097 PolarHBondContact O-N 2.8Å
1094	W	34.3	Very low	33.4	Very low	183 Å²	183	110.2 Å²	110.2	69%	0.693	54%	0.538	S	S	*	.	H	α-helix	trans	-66.4	-33.2	176.2	-72.7	0.9	0	0	0	114.3	I1090 A1091	I1090-W1094 HydrophobicContact CG2-CD2 4.3Å; I1090-W1094 HydrophobicContact CG2-CZ2 4.45Å; I1090-W1094 WeakPolarHBondContact O-CB 3.35Å; I1090-W1094 PolarHBondContact O-N 3.41Å; A1091-W1094 PolarHBondContact O-N 2.84Å
1095	D	37.1	Very low	32.8	Very low	120 Å²	120	110.9 Å²	110.9	64%	0.642	55%	0.549	S	S	*	.	H	α-helix	trans	-79	-24.8	175.8	-84	-20.1	0	0	0	113.5	A1091 L1093	A1091-D1095 WeakPolarHBondContact O-CB 3.47Å; A1091-D1095 PolarHBondContact O-N 3.48Å; L1093-D1095 PolarHBondContact O-N 2.76Å
1096	N	34.1	Very low	32.3	Very low	122 Å²	122	113.7 Å²	113.7	65%	0.652	58%	0.576	S	S	*	*	H	α-helix	trans	-106.7	-26.3	-176.5	-67.2	-82.9	0	0	0	115.3	N1092 L1093	N1092-N1096 VanDerWaalsContact O-CB 3.29Å; N1092-N1096 WeakPolarHBondContact O-CB 3.49Å; N1092-N1096 PolarHBondContact O-N 3.04Å; N1092-N1096 PolarHBondContact O-ND2 3.17Å; L1093-N1096 PolarHBondContact O-N 2.97Å
1097	E	32.8	Very low	31.8	Very low	130 Å²	130	123.5 Å²	123.5	61%	0.607	62%	0.617	S	S	*	*	S	Bend	trans	-92.5	0.4	-174.9	-60.5	-171.4	136.6	0	0	114.3	L1093	L1093-E1097 VanDerWaalsContact CD2-CD 3.44Å; L1093-E1097 HydrophobicContact CD2-CG 4.16Å; L1093-E1097 WeakPolarHBondContact CD2-OE1 3.26Å; L1093-E1097 WeakPolarHBondContact CD2-OE2 3.37Å; L1093-E1097 VanDerWaalsContact O-CB 3.24Å; L1093-E1097 WeakPolarHBondContact O-CB 3.48Å; L1093-E1097 WeakPolarHBondContact O-CG 3.34Å; L1093-E1097 PolarHBondContact O-N 2.8Å
1098	Y	33.6	Very low	31.5	Very low	152 Å²	152	125.4 Å²	125.4	60%	0.596	63%	0.625	S	S	*	*	S	Bend	trans	-112.7	8.2	-172.2	-100.4	-80.8	0	0	0	116.5
1099	W	31.3	Very low	31.3	Very low	189 Å²	189	128.5 Å²	128.5	72%	0.716	64%	0.644	S	S	*	*	S	Bend	trans	-112.7	-7.6	-178.7	-77.8	101.6	0	0	0	116
1100	D	27	Very low	31	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	66%	0.658	S	S	*	*	S	Bend	trans	-132.7	119.9	171.1	-94.9	-52.4	0	0	0	111.5
1101	T	25.8	Very low	30.6	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	67%	0.672	S	S	*	*	S	Bend	trans	68.5	129	178.2	73.4	0	0	0	0	117.2
1102	H	27.1	Very low	30.2	Very low	158 Å²	158	139.6 Å²	139.6	73%	0.731	69%	0.693	S	S	*	*			trans	64.1	128.2	-176.8	-47.6	-87.5	0	0	0	113.6
1103	L	28	Very low	29.9	Very low	136 Å²	136	145.3 Å²	145.3	71%	0.712	72%	0.72	S	S	*	*			cis	-124.1	113.6	20.5	-75.4	147.6	0	0	0	112.6
1104	V	26	Very low	29.5	Very low	126 Å²	126	149.9 Å²	149.9	76%	0.764	74%	0.741	S	S	*	*	S	Bend	trans	-80.8	146.5	133.8	174.5	0	0	0	0	106
1105	D	25	Very low	29.2	Very low	128 Å²	128	147.3 Å²	147.3	68%	0.684	75%	0.745	S	S	*	*	S	Bend	trans	80.9	134.8	-178.9	-56.8	-44.7	0	0	0	117.8
1106	C	24.7	Very low	28.5	Very low	123 Å²	123	149.6 Å²	149.6	83%	0.831	75%	0.753	S	S	*	*			trans	80.9	91.7	162.4	-61.9	0	0	0	0	121.5
1107	E	26.6	Very low	28	Very low	274 Å²	274	152.1 Å²	152.1	100%	1.28	76%	0.762	S	S	*	*			trans	72.3	0	146.6	-51.6	-155.3	132.1	0	0	120.6

Retrieved 1,107 of 1,107 residues in 320.1 ms (Link to these results)

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