A0A087YHL6_POEFO Loading...

Transmembrane protein 67

AlphaFold DB , UniProt , Accession A0A087YHL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 985 aa.

						>A0A087YHL6_POEFO|A0A087YHL6
MATETLLFISRHRVLPYFSLLLYIYLIDCQQFIIPFKAPSDCGVDEFFDISSLSCSRCGSNQRKSSTGLSCICQTGYRTLNVFNDKISISCEQCPTDRPAVTQDGFGCIRCPRSLSTDGKCQCQSGYILVERDINGNPLNDARCEACNNNSPALSVSNINGDRCERCTSTFTNTSCVCPAPNVQEGGLCFPSRILSTNPNPSVNYAQLKFSIQSAWFVENLYSSTAACLTYSNLTACQALGNMCVLNMHSFASSSTDACGLFNTVYRSKAALSSVQEIAYWRVNLPWLFYGDEPGLASRVLQTDPVPTVFSFRGRNQNTNIQLLAAVYNVRGEFLRWEQVGGSNLQLCPGLAAKQAAAFSFGTAYQESCDLSVADLLDSHPEPLFYDIYMDLGGGESRKLLPLPTLVENQQYNGGFINQDSMRNWYLTRRMFLVDTLSGREKSITSSPKVIRVATSVKIRFQLVPRNQEGLIFPPLMTLTYTDVLITDIDTQTVPITFAMDYEMDQTEARTKTDTALGILGGLAVLYSLLKTVSWKRRIASPIIDLETMLKFLLFYSGDLANVFFIVTVGTGLYWLIFYKAQQFVSVLLPLPSQEEQFVTYIGCAFALKAVQFLHKLYMQVSVDIFLIDWERPRSKGNRTVQAHGDSKRDPSPVSIWRTYFVANEWNKLQTIRKISPTFQTMAVLFFLEVLNFSNLALRDPWSTLQRSPEAYTPPYSLILRYGLAATLWLCIALLQVIFFTVFYEHFVKDKIRQFVDLCSVSNISVLLFSNRCFGYYIHGRSVHGHADTNMEEMSNNLKRERESLCGQRGLVPNSDIQTFQVAITNRLRQQYERIQDSLSRRNRPSRLMDASTANLSDLQFRAYNTMNHFLGSIIDHGHPDMDYMVKEKLMLERVIGMEFMEPADKSYFYSDEAHSFSNVLFYGNEATLLIFDILFFCVVDLGSQNFVLAAVLTYLQQMIFRFIRNTLGRRNLANKTLVDQRFLI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	28.7	Very low	253 Å²	253	164.6 Å²	164.6	100%	1.246	87%	0.867	S	S	*	*				0	118.7	0	-76.6	-176	-106	0	0	106.4
2	A	27.7	Very low	28.8	Very low	99 Å²	99	167 Å²	167	82%	0.818	87%	0.869	S	S	*	*			cis	-140.7	153.8	13.7	0	0	0	0	0	109.8
3	T	34.3	Very low	29	Very low	132 Å²	132	171.5 Å²	171.5	81%	0.81	87%	0.868	S	S	*	*			trans	-69.4	146.3	170.1	41.5	0	0	0	0	111.5
4	E	28.6	Very low	29.1	Very low	194 Å²	194	168 Å²	168	91%	0.907	86%	0.859	S	S	*	*			trans	-160.1	120.6	138.5	-113.9	172.5	-152.8	0	0	113
5	T	30.8	Very low	29.3	Very low	128 Å²	128	167.6 Å²	167.6	79%	0.785	86%	0.858	S	S	*	*			trans	-81	140.3	169.4	38.6	0	0	0	0	110.7
6	L	25.1	Very low	30.3	Very low	168 Å²	168	163.2 Å²	163.2	88%	0.88	84%	0.844	S	S	*	*			trans	-126.1	106.2	162.4	-100.8	160.2	0	0	0	110.4
7	L	25.4	Very low	30.5	Very low	150 Å²	150	167 Å²	167	79%	0.785	85%	0.847	S	S	*	*			trans	-79.8	130.4	164.7	-98.3	137.4	0	0	0	108.8
8	F	25	Very low	30.7	Very low	202 Å²	202	168 Å²	168	89%	0.886	85%	0.845	S	S	*	*			trans	-109.9	118.4	161.8	-120.1	-86.5	0	0	0	109.6
9	I	27.8	Very low	31	Very low	140 Å²	140	166.1 Å²	166.1	72%	0.718	85%	0.849	S	S	*	*			trans	-87.1	131.5	172.9	-69.4	166.2	0	0	0	108
10	S	27	Very low	31.2	Very low	125 Å²	125	164.1 Å²	164.1	87%	0.874	84%	0.84	S	S	*	*			trans	-137.9	131.5	150.7	-179.7	0	0	0	0	109.2
11	R	30.5	Very low	31.5	Very low	220 Å²	220	163.6 Å²	163.6	83%	0.83	84%	0.838	S	S	*	*			trans	-129.6	119.6	-166.7	-165.6	-173.8	-165.8	-165.7	6.1	107.2
12	H	29.4	Very low	31.5	Very low	193 Å²	193	158.5 Å²	158.5	89%	0.894	82%	0.815	S	S	*	*			trans	-150.1	157.3	153.8	-99.5	-46.9	0	0	0	111.7
13	R	32.4	Very low	31.6	Very low	225 Å²	225	162.3 Å²	162.3	85%	0.849	81%	0.81	S	S	*	*			trans	-94	137.9	-143.2	-72.7	171.6	170	176.7	-3.5	114.7
14	V	30.6	Very low	31.6	Very low	123 Å²	123	162.3 Å²	162.3	75%	0.745	80%	0.803	S	S	*	*				36.1	114.6	126.8	-161.4	0	0	0	0	119.3
15	L	31.1	Very low	31.6	Very low	162 Å²	162	162.5 Å²	162.5	85%	0.848	80%	0.797	S	S	*	*				-168.1	151.9	101.8	-122.4	102.4	0	0	0	111.7
16	P	45.2	Very low	31.6	Very low	97 Å²	97	162.9 Å²	162.9	63%	0.63	79%	0.794	S	S	*	*			trans	-99.3	138.1	-161.9	37.3	-30.3	0	0	0	111.9
17	Y	34.2	Very low	32.2	Very low	228 Å²	228	162.3 Å²	162.3	89%	0.894	79%	0.79	S	S	*	*			trans	-175.1	99.4	152.9	-101.4	-74.2	0	0	0	106.5
18	F	33.6	Very low	32.7	Very low	185 Å²	185	162.2 Å²	162.2	81%	0.811	79%	0.79	S	S	*	*			trans	175.3	79.7	142.9	-104.7	-76.8	0	0	0	106.6	L20	F18-L20 HydrophobicContact CD1-CB 4.33Å; F18-L20 HydrophobicContact CD1-CD1 4.12Å; F18-L20 HydrophobicContact CE1-CD1 4.23Å; F18-L20 PolarHBondContact O-N 3.41Å
19	S	37.4	Very low	33.8	Very low	132 Å²	132	155.4 Å²	155.4	92%	0.923	77%	0.767	S	S	*	*			trans	-68	72	153.2	-55.1	0	0	0	0	107.4
20	L	35	Very low	35.2	Very low	126 Å²	126	151.8 Å²	151.8	66%	0.66	75%	0.747	S	S	*	*			trans	-92.2	121.7	157.9	-144.8	86.9	0	0	0	105.2	F18 L22	F18-L20 HydrophobicContact CD1-CB 4.33Å; F18-L20 HydrophobicContact CD1-CD1 4.12Å; F18-L20 HydrophobicContact CE1-CD1 4.23Å; F18-L20 PolarHBondContact O-N 3.41Å; L20-L22 PolarHBondContact O-N 3.35Å
21	L	37.7	Very low	37	Very low	153 Å²	153	150.8 Å²	150.8	80%	0.801	73%	0.728	S	S	*	*			trans	-49.6	88.1	168.7	-80.2	116.2	0	0	0	110.1	Y23	L21-Y23 HydrophobicContact CD2-CD2 4.38Å; L21-Y23 PolarHBondContact O-N 2.98Å
22	L	31.9	Very low	39.6	Very low	147 Å²	147	141.7 Å²	141.7	77%	0.77	70%	0.695	S	S	*	*			trans	-73.7	86.3	148	-110.2	113.3	0	0	0	104.6	L20 I24	L20-L22 PolarHBondContact O-N 3.35Å; L22-I24 PolarHBondContact O-N 3.46Å
23	Y	31.2	Very low	42.3	Very low	179 Å²	179	134.4 Å²	134.4	70%	0.702	66%	0.662	S	S	*	*			trans	-49.7	97.6	143.3	-119.6	-98.5	0	0	0	104.6	L21 Y25	L21-Y23 HydrophobicContact CD2-CD2 4.38Å; L21-Y23 PolarHBondContact O-N 2.98Å; Y23-Y25 HydrophobicContact CD1-CE2 4.48Å; Y23-Y25 PolarHBondContact O-N 3.25Å
24	I	32.9	Very low	45	Very low	132 Å²	132	123.9 Å²	123.9	68%	0.677	62%	0.623	S	S	*	*			trans	-61.4	87.6	157.2	-63.4	170.7	0	0	0	102.4	L22 L26	L22-I24 PolarHBondContact O-N 3.46Å; I24-L26 HydrophobicContact CG2-CG 4.45Å; I24-L26 PolarHBondContact O-N 2.85Å
25	Y	29.6	Very low	47.8	Very low	198 Å²	198	121 Å²	121	78%	0.776	61%	0.606	S	S	*	*			trans	-54.7	95.5	142.3	-91.3	-86.4	0	0	0	102.7	Y23 I27	Y23-Y25 HydrophobicContact CD1-CE2 4.48Å; Y23-Y25 PolarHBondContact O-N 3.25Å; Y25-I27 VanDerWaalsContact C-N 3.33Å; Y25-I27 PolarHBondContact O-N 3.14Å
26	L	31.6	Very low	50.6	Low	136 Å²	136	114.6 Å²	114.6	71%	0.712	57%	0.572	S	S	*	*			trans	-37.4	117.2	142.9	-80.8	150.9	0	0	0	103.5	I24 D28	I24-L26 HydrophobicContact CG2-CG 4.45Å; I24-L26 PolarHBondContact O-N 2.85Å; L26-D28 PolarHBondContact O-N 3.3Å
27	I	37.2	Very low	52.7	Low	155 Å²	155	114.1 Å²	114.1	80%	0.795	56%	0.56	S	S	*	*			trans	-61.8	85.6	164.7	-63.6	168	0	0	0	102.3	Y25 C29	Y25-I27 VanDerWaalsContact C-N 3.33Å; Y25-I27 PolarHBondContact O-N 3.14Å; I27-C29 PolarHBondContact O-N 3.04Å
28	D	35	Very low	55.1	Low	149 Å²	149	104 Å²	104	80%	0.797	52%	0.523	S	S	*	.			trans	-70.5	92.1	173.2	-134.5	-7.5	0	0	0	102.4	L26 Q30	L26-D28 PolarHBondContact O-N 3.3Å; D28-Q30 PolarHBondContact O-N 2.99Å; D28-Q30 VanDerWaalsContact O-N 3.14Å
29	C	48.8	Very low	57.6	Low	59 Å²	59	96.9 Å²	96.9	40%	0.399	50%	0.495	S	S	.	.			trans	-63.3	116.4	175.8	-100.5	0	0	0	0	106.2	I27 Q31 T303	I27-C29 PolarHBondContact O-N 3.04Å; C29-Q31 PolarHBondContact O-N 3.35Å; C29-Q31 VanDerWaalsContact O-N 3.08Å; C29-T303 HydrophobicContact CB-CG2 4.3Å
30	Q	56.5	Low	59.8	Low	64 Å²	64	95.4 Å²	95.4	30%	0.299	49%	0.485	S	S	.	.			trans	-71.5	107	-168.4	-180	156.4	41.8	0	0	110.9	D28 F32 E277	D28-Q30 PolarHBondContact O-N 2.99Å; D28-Q30 VanDerWaalsContact O-N 3.14Å; Q30-F32 HydrophobicContact CG-CE1 4.39Å; Q30-F32 PolarHBondContact O-N 2.94Å; Q30-E277 PolarHBondContact NE2-O 2.91Å
31	Q	65.8	Low	62.2	Low	104 Å²	104	93.2 Å²	93.2	49%	0.486	47%	0.474	S	S	.	.			trans	-72.2	118.3	166.8	-73.1	-172.5	-10.5	0	0	109.4	C29 I33 D304	C29-Q31 PolarHBondContact O-N 3.35Å; C29-Q31 VanDerWaalsContact O-N 3.08Å; Q31-I33 HydrophobicContact CB-CD1 4.27Å; Q31-I33 HydrophobicContact CB-CG1 4.34Å; Q31-I33 PolarHBondContact O-N 3.47Å; Q31-D304 HydrophobicContact CG-CB 4.14Å
32	F	84	Confident	64.5	Low	28 Å²	28	86.4 Å²	86.4	12%	0.123	44%	0.439	C	S	.	.			trans	-75.3	48.9	-179.7	-59.2	-75.3	0	0	0	112.7	Q30 I278 Y280 W287 Y290 V300 P402	Q30-F32 HydrophobicContact CG-CE1 4.39Å; Q30-F32 PolarHBondContact O-N 2.94Å; F32-I278 HydrophobicContact CD1-CD1 4.3Å; F32-I278 HydrophobicContact CD1-CG1 4.19Å; F32-I278 HydrophobicContact CD1-CG2 4.03Å; F32-I278 HydrophobicContact CE1-CG2 4.07Å; F32-Y280 HydrophobicContact CE1-CD2 4.25Å; F32-Y280 HydrophobicContact CE1-CE2 4.45Å; F32-Y280 HydrophobicContact CZ-CD2 4.49Å; F32-Y280 HydrophobicContact CZ-CE2 4.31Å; F32-W287 HydrophobicContact CB-CH2 4.09Å; F32-W287 AromaticContact CD1-CH2 3.76Å; F32-W287 HydrophobicContact CD1-CH2 3.76Å; F32-W287 AromaticContact CD1-CZ2 3.95Å; F32-W287 HydrophobicContact CD1-CZ2 3.95Å; F32-W287 HydrophobicContact CE1-CZ2 4.29Å; F32-W287 HydrophobicContact CG-CH2 4.11Å; F32-Y290 HydrophobicContact CD2-CD1 4.42Å; F32-Y290 HydrophobicContact CD2-CE1 4.24Å; F32-Y290 HydrophobicContact CE2-CD1 4.23Å; F32-Y290 HydrophobicContact CG-CE1 4.32Å; F32-Y290 HydrophobicContact CZ-CD1 4.32Å; F32-V300 HydrophobicContact CD2-CG1 4.44Å; F32-V300 HydrophobicContact CE2-CG1 4.23Å; F32-V300 HydrophobicContact CE2-CG2 4.13Å; F32-P402 HydrophobicContact CB-CG 4.22Å; F32-P402 WeakPolarHBondContact O-CD 3.33Å
33	I	87.4	Confident	67	Low	41 Å²	41	81 Å²	81	21%	0.21	42%	0.418	C	S	.	.			trans	-99.4	131	-178.7	-60.5	173.1	0	0	0	109.3	Q31 P307 L392 K399 L400 L401	Q31-I33 HydrophobicContact CB-CD1 4.27Å; Q31-I33 HydrophobicContact CB-CG1 4.34Å; Q31-I33 PolarHBondContact O-N 3.47Å; I33-P307 HydrophobicContact CD1-CG 4.12Å; I33-L392 HydrophobicContact CD1-CD1 4.01Å; I33-L392 HydrophobicContact CG1-CD1 4.18Å; I33-L392 HydrophobicContact CG2-CD1 4.18Å; I33-K399 HydrophobicContact CG2-CB 3.79Å; I33-K399 HydrophobicContact CG2-CD 4.04Å; I33-K399 HydrophobicContact CG2-CG 4.2Å; I33-L400 WeakPolarHBondContact CA-O 3.42Å; I33-L401 HydrophobicContact CG1-CD1 4.16Å
34	I	89.3	Confident	69.3	Low	4 Å²	4	78.6 Å²	78.6	2%	0.021	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.3	177.6	67.3	173.4	0	0	0	111.2	L53 Q276 I278 W281 Y389 L400	I34-L53 HydrophobicContact CD1-CD1 3.94Å; I34-Q276 HydrophobicContact CG2-CB 4.44Å; I34-Q276 HydrophobicContact CG2-CG 4.49Å; I34-I278 HydrophobicContact CG2-CD1 4.11Å; I34-W281 HydrophobicContact CG2-CZ3 4.28Å; I34-Y389 HydrophobicContact CD1-CD1 4.17Å; I34-Y389 HydrophobicContact CD1-CE1 3.56Å; I34-Y389 HydrophobicContact CG1-CE1 4.45Å; I34-L400 HydrophobicContact CG1-CB 3.86Å; I34-L400 PolarHBondContact N-O 3.05Å; I34-L400 PolarHBondContact O-N 3.42Å
35	P	89.1	Confident	71.7	Confident	61 Å²	61	77.6 Å²	77.6	40%	0.396	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.8	172.4	29.1	-33.6	0	0	0	110.8
36	F	89.8	Confident	74.4	Confident	29 Å²	29	70.4 Å²	70.4	13%	0.127	39%	0.392	C	S	.	.			trans	-79.7	131.4	172.3	178.2	-112.2	0	0	0	110.9	A38 L324 W337 R398 L400	F36-A38 HydrophobicContact CE1-CB 4.42Å; F36-A38 HydrophobicContact CZ-CB 4.04Å; F36-L324 HydrophobicContact CD2-CD2 3.95Å; F36-L324 HydrophobicContact CE2-CD2 3.48Å; F36-L324 VanDerWaalsContact CE2-CD2 3.48Å; F36-L324 HydrophobicContact CZ-CD2 4.23Å; F36-W337 HydrophobicContact CE2-CD2 4.01Å; F36-W337 AromaticContact CE2-CE2 3.95Å; F36-W337 HydrophobicContact CE2-CG 4.08Å; F36-W337 HydrophobicContact CE2-CZ2 4.47Å; F36-W337 AromaticContact CE2-NE1 3.94Å; F36-R398 HydrophobicContact CB-CB 3.75Å; F36-R398 WeakPolarHBondContact CB-O 3.28Å; F36-R398 HydrophobicContact CD1-CB 4.12Å; F36-R398 HydrophobicContact CG-CB 4.34Å; F36-R398 PolarHBondContact N-O 3.23Å; F36-L400 HydrophobicContact CB-CD1 4.29Å; F36-L400 HydrophobicContact CB-CD2 4.38Å; F36-L400 HydrophobicContact CB-CG 3.97Å; F36-L400 HydrophobicContact CD2-CD1 3.74Å; F36-L400 HydrophobicContact CD2-CD2 4.45Å; F36-L400 HydrophobicContact CD2-CG 4.24Å; F36-L400 HydrophobicContact CG-CD1 4.46Å
37	K	88	Confident	77	Confident	87 Å²	87	64.7 Å²	64.7	38%	0.378	36%	0.361	S	S	.	.			trans	-141.1	132.9	166.3	-71	-65.1	-177.9	177.5	0	109.4	D41 F48 W337	K37-D41 HydrophobicContact CD-CB 4.39Å; K37-F48 HydrophobicContact CB-CE2 4.23Å; K37-F48 WeakPolarHBondContact O-CE2 2.9Å; K37-W337 PolarHBondContact O-NE1 3.29Å
38	A	86.3	Confident	79.4	Confident	14 Å²	14	57.3 Å²	57.3	12%	0.116	32%	0.323	C	S	.	.			trans	-95.2	157.5	168.5	0	0	0	0	0	111	F36 S40 D41	F36-A38 HydrophobicContact CE1-CB 4.42Å; F36-A38 HydrophobicContact CZ-CB 4.04Å; A38-S40 PolarHBondContact O-N 3.29Å; A38-S40 VanDerWaalsContact O-N 3.12Å; A38-D41 WeakPolarHBondContact CB-OD2 3.45Å; A38-D41 PolarHBondContact N-OD2 3.02Å; A38-D41 WeakPolarHBondContact O-CB 3.36Å; A38-D41 PolarHBondContact O-N 3.27Å
39	P	85.6	Confident	81.8	Confident	36 Å²	36	50.9 Å²	50.9	23%	0.234	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	175.2	-26.2	34.1	0	0	0	114.9	D41 F48 K64 L69 F334	P39-D41 VanDerWaalsContact C-N 3.33Å; P39-F48 HydrophobicContact CB-CB 4.11Å; P39-F48 HydrophobicContact CB-CG 4.4Å; P39-F48 HydrophobicContact CG-CB 4.23Å; P39-F48 HydrophobicContact CG-CD1 3.93Å; P39-F48 HydrophobicContact CG-CE1 4.46Å; P39-F48 HydrophobicContact CG-CG 4Å; P39-K64 PolarHBondContact O-NZ 3.22Å; P39-L69 HydrophobicContact CG-CD2 4.37Å; P39-F334 HydrophobicContact CG-CE1 4.11Å
40	S	84.2	Confident	83.6	Confident	101 Å²	101	49.2 Å²	49.2	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.6	174	51.5	0	0	0	0	113.8	A38 C42	A38-S40 PolarHBondContact O-N 3.29Å; A38-S40 VanDerWaalsContact O-N 3.12Å; S40-C42 VanDerWaalsContact C-N 3.34Å
41	D	85.2	Confident	84.7	Confident	81 Å²	81	46.3 Å²	46.3	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.6	-174.3	-52.9	-22.9	0	0	0	112	K37 A38 P39	K37-D41 HydrophobicContact CD-CB 4.39Å; A38-D41 WeakPolarHBondContact CB-OD2 3.45Å; A38-D41 PolarHBondContact N-OD2 3.02Å; A38-D41 WeakPolarHBondContact O-CB 3.36Å; A38-D41 PolarHBondContact O-N 3.27Å; P39-D41 VanDerWaalsContact C-N 3.33Å
42	C	86.4	Confident	85.6	Confident	9 Å²	9	42 Å²	42	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-76.7	134.8	176.9	-56.1	0	0	0	0	110.5	S40 E46 C55	S40-C42 VanDerWaalsContact C-N 3.34Å; C42-E46 HydrophobicContact CB-CB 3.95Å; C42-C55 WeakPolarHBondContact CA-SG 3.33Å; C42-C55 HydrophobicContact CB-CB 3.79Å; C42-C55 WeakPolarHBondContact CB-SG 3.44Å; C42-C55 VanDerWaalsContact SG-CA 3.59Å; C42-C55 WeakPolarHBondContact SG-CB 3.49Å; C42-C55 CovalentContact SG-SG 2.05Å; C42-C55 PolarHBondContact SG-SG 3.14Å
43	G	83.3	Confident	85.7	Confident	33 Å²	33	40.9 Å²	40.9	34%	0.34	24%	0.239	S	C	.	.			trans	-59.4	174.2	179.8	0	0	0	0	0	114.4	D45 E46	G43-D45 VanDerWaalsContact C-N 3.25Å; G43-D45 PolarHBondContact O-N 3.5Å; G43-E46 PolarHBondContact N-OE2 2.96Å; G43-E46 VanDerWaalsContact N-OE2 3.14Å; G43-E46 PolarHBondContact O-N 3.36Å; G43-E46 VanDerWaalsContact O-O 3.08Å
44	V	80.3	Confident	85.7	Confident	129 Å²	129	40.1 Å²	40.1	78%	0.782	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-35.9	-176.5	-176.6	0	0	0	0	112.2
45	D	83	Confident	85.7	Confident	111 Å²	111	41.4 Å²	41.4	59%	0.594	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	12.3	178.4	-57.5	-41.7	0	0	0	113.1	G43 C58	G43-D45 VanDerWaalsContact C-N 3.25Å; G43-D45 PolarHBondContact O-N 3.5Å; D45-C58 WeakPolarHBondContact O-CB 3.49Å; D45-C58 PolarHBondContact O-N 3.33Å
46	E	85.8	Confident	85.5	Confident	47 Å²	47	40.2 Å²	40.2	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.1	-177.7	-69.3	173.3	174.1	0	0	111.3	C42 G43 C55 S56 R57 K64	C42-E46 HydrophobicContact CB-CB 3.95Å; G43-E46 PolarHBondContact N-OE2 2.96Å; G43-E46 VanDerWaalsContact N-OE2 3.14Å; G43-E46 PolarHBondContact O-N 3.36Å; G43-E46 VanDerWaalsContact O-O 3.08Å; E46-C55 HydrophobicContact CB-CB 4.47Å; E46-S56 CarbonylContact C-O 3.12Å; E46-S56 VanDerWaalsContact CA-O 3.28Å; E46-S56 WeakPolarHBondContact CA-O 3.18Å; E46-R57 HydrophobicContact CG-CB 4.47Å; E46-R57 HydrophobicContact CG-CG 3.63Å; E46-R57 IonicContact OE1-NE 3.04Å; E46-R57 PolarHBondContact OE1-NE 2.88Å; E46-K64 WeakPolarHBondContact O-CD 3.31Å; E46-K64 WeakPolarHBondContact O-CE 3.46Å; E46-K64 PolarHBondContact O-NZ 3.23Å
47	F	86.7	Confident	85.3	Confident	16 Å²	16	48.4 Å²	48.4	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.7	172.7	76.2	-77.1	0	0	0	110.1	D49 C55 S56 G68 L69 C71 I87	F47-D49 HydrophobicContact CD2-CB 4.5Å; F47-D49 HydrophobicContact CE2-CB 3.83Å; F47-D49 HydrophobicContact CZ-CB 4.26Å; F47-D49 PolarHBondContact O-N 3.45Å; F47-C55 WeakPolarHBondContact O-CA 3.38Å; F47-S56 WeakPolarHBondContact CD1-O 3.34Å; F47-S56 VanDerWaalsContact CE1-CB 3.5Å; F47-S56 PolarHBondContact N-O 3.33Å; F47-S56 PolarHBondContact O-N 3.4Å; F47-G68 WeakPolarHBondContact CA-O 3.44Å; F47-L69 WeakPolarHBondContact CD2-O 3.09Å; F47-C71 WeakPolarHBondContact CD1-SG 3.49Å; F47-C71 WeakPolarHBondContact CE1-SG 3.26Å; F47-I87 HydrophobicContact CZ-CG2 4.08Å
48	F	87.7	Confident	85	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	110.2	175.4	-176.3	-105.1	0	0	0	110	K37 P39 I50 L53 G68 L69 F334 W337	K37-F48 HydrophobicContact CB-CE2 4.23Å; K37-F48 WeakPolarHBondContact O-CE2 2.9Å; P39-F48 HydrophobicContact CB-CB 4.11Å; P39-F48 HydrophobicContact CB-CG 4.4Å; P39-F48 HydrophobicContact CG-CB 4.23Å; P39-F48 HydrophobicContact CG-CD1 3.93Å; P39-F48 HydrophobicContact CG-CE1 4.46Å; P39-F48 HydrophobicContact CG-CG 4Å; F48-I50 HydrophobicContact CD1-CG1 4.26Å; F48-I50 HydrophobicContact CE1-CG1 4.42Å; F48-I50 PolarHBondContact O-N 3.44Å; F48-L53 HydrophobicContact CE1-CD2 4.31Å; F48-L53 HydrophobicContact CZ-CB 4.31Å; F48-L53 HydrophobicContact CZ-CD2 4.04Å; F48-G68 PolarHBondContact N-O 2.99Å; F48-L69 HydrophobicContact CB-CD2 4.24Å; F48-L69 HydrophobicContact CD1-CD2 3.87Å; F48-F334 HydrophobicContact CE1-CD1 4.47Å; F48-F334 HydrophobicContact CE1-CE1 4.15Å; F48-F334 HydrophobicContact CE1-CZ 4.27Å; F48-W337 HydrophobicContact CZ-CZ2 4.45Å; F48-W337 AromaticContact CZ-NE1 3.91Å
49	D	85.4	Confident	84.6	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.08	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	109	176.8	174.3	18.6	0	0	0	110.1	F47 S51 S52 L53 S54	F47-D49 HydrophobicContact CD2-CB 4.5Å; F47-D49 HydrophobicContact CE2-CB 3.83Å; F47-D49 HydrophobicContact CZ-CB 4.26Å; F47-D49 PolarHBondContact O-N 3.45Å; D49-S51 PolarHBondContact O-N 3.43Å; D49-S51 VanDerWaalsContact OD1-CB 3.32Å; D49-S51 WeakPolarHBondContact OD1-CB 3.15Å; D49-S51 PolarHBondContact OD1-N 3.45Å; D49-S51 PolarHBondContact OD1-OG 3.05Å; D49-S51 PolarHBondContact OD2-OG 3.37Å; D49-S52 VanDerWaalsContact CG-OG 3.29Å; D49-S52 PolarHBondContact O-N 3.35Å; D49-S52 WeakPolarHBondContact OD2-CB 3.39Å; D49-S52 PolarHBondContact OD2-OG 2.99Å; D49-L53 VanDerWaalsContact O-CA 3.32Å; D49-L53 WeakPolarHBondContact O-CA 3.29Å; D49-L53 PolarHBondContact O-N 2.83Å; D49-S54 PolarHBondContact N-O 3.02Å; D49-S54 PolarHBondContact O-N 3.49Å
50	I	85.1	Confident	84.3	Confident	23 Å²	23	49.4 Å²	49.4	12%	0.118	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	-179.5	-58.6	158	0	0	0	111.4	F48 S52 L69 L234 Y328 F334	F48-I50 HydrophobicContact CD1-CG1 4.26Å; F48-I50 HydrophobicContact CE1-CG1 4.42Å; F48-I50 PolarHBondContact O-N 3.44Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.39Å; I50-L69 HydrophobicContact CD1-CB 4.24Å; I50-L69 HydrophobicContact CD1-CD1 4.21Å; I50-L69 HydrophobicContact CD1-CD2 4.22Å; I50-L69 HydrophobicContact CD1-CG 4.45Å; I50-L69 HydrophobicContact CG1-CD2 4.21Å; I50-L234 HydrophobicContact CB-CD2 4.11Å; I50-Y328 HydrophobicContact CG2-CE1 3.78Å; I50-F334 HydrophobicContact CD1-CB 3.62Å; I50-F334 HydrophobicContact CG1-CB 3.8Å; I50-F334 HydrophobicContact CG1-CG 4.28Å; I50-F334 HydrophobicContact CG2-CB 3.91Å
51	S	81.5	Confident	84.2	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.8	-178.5	78.5	0	0	0	0	112.8	D49 W281	D49-S51 PolarHBondContact O-N 3.43Å; D49-S51 VanDerWaalsContact OD1-CB 3.32Å; D49-S51 WeakPolarHBondContact OD1-CB 3.15Å; D49-S51 PolarHBondContact OD1-N 3.45Å; D49-S51 PolarHBondContact OD1-OG 3.05Å; D49-S51 PolarHBondContact OD2-OG 3.37Å; S51-W281 VanDerWaalsContact O-CE2 3.27Å; S51-W281 WeakPolarHBondContact O-CZ2 3.37Å; S51-W281 PolarHBondContact O-NE1 3.27Å
52	S	82.9	Confident	84.1	Confident	15 Å²	15	44.5 Å²	44.5	11%	0.105	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-3.2	-179.2	63.8	0	0	0	0	114.5	D49 I50 S54 Q276	D49-S52 VanDerWaalsContact CG-OG 3.29Å; D49-S52 PolarHBondContact O-N 3.35Å; D49-S52 WeakPolarHBondContact OD2-CB 3.39Å; D49-S52 PolarHBondContact OD2-OG 2.99Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.39Å; S52-S54 PolarHBondContact O-N 3.32Å; S52-S54 PolarHBondContact OG-OG 2.99Å; S52-Q276 PolarHBondContact O-NE2 2.99Å
53	L	87.4	Confident	83.9	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	39.1	-174.2	-58.6	175.3	0	0	0	112.7	I34 F48 D49 W281 W337 Y389	I34-L53 HydrophobicContact CD1-CD1 3.94Å; F48-L53 HydrophobicContact CE1-CD2 4.31Å; F48-L53 HydrophobicContact CZ-CB 4.31Å; F48-L53 HydrophobicContact CZ-CD2 4.04Å; D49-L53 VanDerWaalsContact O-CA 3.32Å; D49-L53 WeakPolarHBondContact O-CA 3.29Å; D49-L53 PolarHBondContact O-N 2.83Å; L53-W281 HydrophobicContact CB-CH2 4.29Å; L53-W281 HydrophobicContact CD1-CH2 3.93Å; L53-W281 HydrophobicContact CD1-CZ2 4.41Å; L53-W281 HydrophobicContact CG-CH2 3.96Å; L53-W281 HydrophobicContact CG-CZ2 4.26Å; L53-W337 HydrophobicContact CD1-CH2 4.31Å; L53-W337 HydrophobicContact CD2-CZ2 4.32Å; L53-Y389 WeakPolarHBondContact CD1-OH 3.48Å
54	S	87.6	Confident	83.9	Confident	26 Å²	26	49.5 Å²	49.5	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.6	-173.9	75.4	0	0	0	0	112.2	D49 S52	D49-S54 PolarHBondContact N-O 3.02Å; D49-S54 PolarHBondContact O-N 3.49Å; S52-S54 PolarHBondContact O-N 3.32Å; S52-S54 PolarHBondContact OG-OG 2.99Å
55	C	88	Confident	83.9	Confident	31 Å²	31	44 Å²	44	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.9	173.8	-60.3	0	0	0	0	109.6	C42 E46 F47	C42-C55 WeakPolarHBondContact CA-SG 3.33Å; C42-C55 HydrophobicContact CB-CB 3.79Å; C42-C55 WeakPolarHBondContact CB-SG 3.44Å; C42-C55 VanDerWaalsContact SG-CA 3.59Å; C42-C55 WeakPolarHBondContact SG-CB 3.49Å; C42-C55 CovalentContact SG-SG 2.05Å; C42-C55 PolarHBondContact SG-SG 3.14Å; E46-C55 HydrophobicContact CB-CB 4.47Å; F47-C55 WeakPolarHBondContact O-CA 3.38Å
56	S	85.3	Confident	83.7	Confident	36 Å²	36	44.9 Å²	44.9	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.1	175.8	-73.4	0	0	0	0	109.9	E46 F47	E46-S56 CarbonylContact C-O 3.12Å; E46-S56 VanDerWaalsContact CA-O 3.28Å; E46-S56 WeakPolarHBondContact CA-O 3.18Å; F47-S56 WeakPolarHBondContact CD1-O 3.34Å; F47-S56 VanDerWaalsContact CE1-CB 3.5Å; F47-S56 PolarHBondContact N-O 3.33Å; F47-S56 PolarHBondContact O-N 3.4Å
57	R	84.8	Confident	83.2	Confident	201 Å²	201	47 Å²	47	76%	0.758	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.3	178.6	-75.3	-177.3	177.9	-172.4	0.8	111.3	E46	E46-R57 HydrophobicContact CG-CB 4.47Å; E46-R57 HydrophobicContact CG-CG 3.63Å; E46-R57 IonicContact OE1-NE 3.04Å; E46-R57 PolarHBondContact OE1-NE 2.88Å
58	C	81.8	Confident	82.9	Confident	19 Å²	19	46.5 Å²	46.5	13%	0.128	27%	0.265	C	S	.	.			trans	-67.5	145.5	165.5	-67.8	0	0	0	0	110.2	D45 Q62 C71	D45-C58 WeakPolarHBondContact O-CB 3.49Å; D45-C58 PolarHBondContact O-N 3.33Å; C58-Q62 HydrophobicContact CB-CB 3.78Å; C58-C71 WeakPolarHBondContact CA-SG 3.39Å; C58-C71 HydrophobicContact CB-CB 3.93Å; C58-C71 WeakPolarHBondContact CB-SG 3.45Å; C58-C71 WeakPolarHBondContact SG-CB 3.32Å; C58-C71 CovalentContact SG-SG 2.04Å; C58-C71 PolarHBondContact SG-SG 3.02Å
59	G	79.3	Confident	82.6	Confident	34 Å²	34	48.7 Å²	48.7	35%	0.351	28%	0.276	S	S	.	.			trans	-71.9	-179.8	177.9	0	0	0	0	0	112.8	N61 Q62	G59-N61 PolarHBondContact O-N 3.37Å; G59-Q62 VanDerWaalsContact CA-NE2 3.33Å; G59-Q62 VanDerWaalsContact N-CD 3.3Å; G59-Q62 WeakPolarHBondContact O-CB 3.19Å; G59-Q62 PolarHBondContact O-N 3.11Å
60	S	78	Confident	82.4	Confident	104 Å²	104	50.4 Å²	50.4	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	137.5	178.1	-58.8	0	0	0	0	111.3	Q62	S60-Q62 VanDerWaalsContact C-N 3.27Å; S60-Q62 PolarHBondContact O-N 2.87Å
61	N	81.9	Confident	82.2	Confident	65 Å²	65	50.2 Å²	50.2	35%	0.348	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	25.3	-178.4	-49.1	-42.3	0	0	0	115.3	G59 Q74 Y77 C91	G59-N61 PolarHBondContact O-N 3.37Å; N61-Q74 WeakPolarHBondContact O-CG 3.44Å; N61-Q74 PolarHBondContact O-N 3.47Å; N61-Y77 HydrophobicContact CB-CD1 3.61Å; N61-Y77 HydrophobicContact CB-CE1 3.59Å; N61-Y77 HydrophobicContact CB-CG 4.31Å; N61-Y77 VanDerWaalsContact CG-CE1 3.46Å; N61-C91 HydrophobicContact CB-CB 4Å; N61-C91 WeakPolarHBondContact O-CB 3.49Å
62	Q	83.4	Confident	82.2	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.065	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	163	173.7	-67.4	161.9	45.7	0	0	111.1	C58 G59 S60 C71 I72 Q74 I89 C91	C58-Q62 HydrophobicContact CB-CB 3.78Å; G59-Q62 VanDerWaalsContact CA-NE2 3.33Å; G59-Q62 VanDerWaalsContact N-CD 3.3Å; G59-Q62 WeakPolarHBondContact O-CB 3.19Å; G59-Q62 PolarHBondContact O-N 3.11Å; S60-Q62 VanDerWaalsContact C-N 3.27Å; S60-Q62 PolarHBondContact O-N 2.87Å; Q62-C71 HydrophobicContact CB-CB 4.35Å; Q62-I72 CarbonylContact C-O 3.56Å; Q62-I72 WeakPolarHBondContact CA-O 3.46Å; Q62-Q74 PolarHBondContact O-NE2 2.9Å; Q62-Q74 VanDerWaalsContact O-NE2 3.1Å; Q62-I89 HydrophobicContact CG-CD1 4.04Å; Q62-I89 HydrophobicContact CG-CG1 4.01Å; Q62-I89 PolarHBondContact NE2-O 2.66Å; Q62-C91 HydrophobicContact CG-CB 4.48Å; Q62-C91 WeakPolarHBondContact CG-SG 3.47Å
63	R	82.6	Confident	82.1	Confident	92 Å²	92	53.2 Å²	53.2	35%	0.347	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.1	169.7	66.3	178.4	-178	167.1	4.8	110	I72 Q74 D118	R63-I72 HydrophobicContact CG-CD1 4.23Å; R63-I72 HydrophobicContact CG-CG1 3.75Å; R63-I72 PolarHBondContact N-O 3.35Å; R63-I72 WeakPolarHBondContact O-CG1 3.41Å; R63-I72 PolarHBondContact O-N 3.08Å; R63-I72 VanDerWaalsContact O-O 3.04Å; R63-Q74 HydrophobicContact CB-CG 4.22Å; R63-D118 IonicContact NH2-OD1 3.96Å
64	K	83	Confident	81.9	Confident	56 Å²	56	56.7 Å²	56.7	24%	0.243	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	137	171.7	-172.1	-179.8	-170.7	162.6	0	110.3	P39 E46	P39-K64 PolarHBondContact O-NZ 3.22Å; E46-K64 WeakPolarHBondContact O-CD 3.31Å; E46-K64 WeakPolarHBondContact O-CE 3.46Å; E46-K64 PolarHBondContact O-NZ 3.23Å
65	S	81.2	Confident	81.6	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.084	33%	0.334	C	S	.	.			trans	-67.3	162.4	173.1	67.2	0	0	0	0	111.4	T67 G68 S70	S65-T67 PolarHBondContact O-N 3.11Å; S65-T67 PolarHBondContact OG-OG1 3.17Å; S65-G68 PolarHBondContact O-N 3.43Å; S65-G68 PolarHBondContact OG-N 2.9Å; S65-S70 VanDerWaalsContact CB-O 3.3Å; S65-S70 WeakPolarHBondContact CB-O 3.46Å; S65-S70 WeakPolarHBondContact CB-OG 3.42Å; S65-S70 PolarHBondContact N-O 3.06Å; S65-S70 PolarHBondContact OG-N 3.11Å; S65-S70 PolarHBondContact OG-O 3.13Å; S65-S70 PolarHBondContact OG-OG 3.43Å
66	S	78.7	Confident	81	Confident	130 Å²	130	58.2 Å²	58.2	91%	0.909	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.2	178	51.6	0	0	0	0	113.4
67	T	75.1	Confident	80.8	Confident	93 Å²	93	58.6 Å²	58.6	57%	0.571	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.1	175.5	59.4	0	0	0	0	112.9	S65 L69	S65-T67 PolarHBondContact O-N 3.11Å; S65-T67 PolarHBondContact OG-OG1 3.17Å; T67-L69 PolarHBondContact O-N 2.9Å
68	G	81	Confident	80.5	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	31%	0.306	C	S	.	.	S	Bend	trans	75.4	5.1	-178.8	0	0	0	0	0	115.9	F47 F48 S65	F47-G68 WeakPolarHBondContact CA-O 3.44Å; F48-G68 PolarHBondContact N-O 2.99Å; S65-G68 PolarHBondContact O-N 3.43Å; S65-G68 PolarHBondContact OG-N 2.9Å
69	L	81.2	Confident	80.3	Confident	45 Å²	45	52.8 Å²	52.8	24%	0.236	31%	0.306	C	S	.	.	S	Bend	trans	-101.2	-2.1	-174.7	-58.8	173.1	0	0	0	113.4	P39 F47 F48 I50 T67 F334	P39-L69 HydrophobicContact CG-CD2 4.37Å; F47-L69 WeakPolarHBondContact CD2-O 3.09Å; F48-L69 HydrophobicContact CB-CD2 4.24Å; F48-L69 HydrophobicContact CD1-CD2 3.87Å; I50-L69 HydrophobicContact CD1-CB 4.24Å; I50-L69 HydrophobicContact CD1-CD1 4.21Å; I50-L69 HydrophobicContact CD1-CD2 4.22Å; I50-L69 HydrophobicContact CD1-CG 4.45Å; I50-L69 HydrophobicContact CG1-CD2 4.21Å; T67-L69 PolarHBondContact O-N 2.9Å; L69-F334 HydrophobicContact CD2-CD1 4.14Å
70	S	80.8	Confident	79.6	Confident	51 Å²	51	54 Å²	54	36%	0.357	30%	0.304	S	S	.	.	S	Bend	trans	-154.8	164.3	-178.7	59.5	0	0	0	0	111.4	S65	S65-S70 VanDerWaalsContact CB-O 3.3Å; S65-S70 WeakPolarHBondContact CB-O 3.46Å; S65-S70 WeakPolarHBondContact CB-OG 3.42Å; S65-S70 PolarHBondContact N-O 3.06Å; S65-S70 PolarHBondContact OG-N 3.11Å; S65-S70 PolarHBondContact OG-O 3.13Å; S65-S70 PolarHBondContact OG-OG 3.43Å
71	C	81.4	Confident	78.5	Confident	20 Å²	20	55.5 Å²	55.5	14%	0.135	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.5	168.8	-60.1	0	0	0	0	110.6	F47 C58 Q62 I89	F47-C71 WeakPolarHBondContact CD1-SG 3.49Å; F47-C71 WeakPolarHBondContact CE1-SG 3.26Å; C58-C71 WeakPolarHBondContact CA-SG 3.39Å; C58-C71 HydrophobicContact CB-CB 3.93Å; C58-C71 WeakPolarHBondContact CB-SG 3.45Å; C58-C71 WeakPolarHBondContact SG-CB 3.32Å; C58-C71 CovalentContact SG-SG 2.04Å; C58-C71 PolarHBondContact SG-SG 3.02Å; Q62-C71 HydrophobicContact CB-CB 4.35Å; C71-I89 HydrophobicContact CB-CD1 4.29Å; C71-I89 VanDerWaalsContact O-CD1 3.24Å; C71-I89 WeakPolarHBondContact O-CD1 3.39Å
72	I	81.1	Confident	77	Confident	65 Å²	65	56.9 Å²	56.9	33%	0.333	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.1	170.8	58.2	172.7	0	0	0	109	Q62 R63	Q62-I72 CarbonylContact C-O 3.56Å; Q62-I72 WeakPolarHBondContact CA-O 3.46Å; R63-I72 HydrophobicContact CG-CD1 4.23Å; R63-I72 HydrophobicContact CG-CG1 3.75Å; R63-I72 PolarHBondContact N-O 3.35Å; R63-I72 WeakPolarHBondContact O-CG1 3.41Å; R63-I72 PolarHBondContact O-N 3.08Å; R63-I72 VanDerWaalsContact O-O 3.04Å
73	C	81.4	Confident	75.1	Confident	16 Å²	16	63.6 Å²	63.6	11%	0.108	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	150.1	174	-64.5	0	0	0	0	111.7	Y77 T79 C91	C73-Y77 WeakPolarHBondContact CB-O 3.34Å; C73-T79 PolarHBondContact SG-OG1 2.96Å; C73-T79 VanDerWaalsContact SG-OG1 3.41Å; C73-C91 WeakPolarHBondContact CA-SG 3.5Å; C73-C91 HydrophobicContact CB-CB 3.78Å; C73-C91 WeakPolarHBondContact CB-SG 3.45Å; C73-C91 WeakPolarHBondContact SG-CB 3.35Å; C73-C91 CovalentContact SG-SG 2.03Å; C73-C91 PolarHBondContact SG-SG 3.03Å
74	Q	82.1	Confident	72.9	Confident	75 Å²	75	66.1 Å²	66.1	35%	0.35	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-62.4	159.5	172.3	-70.3	176.1	3.2	0	0	111.1	N61 Q62 R63 G76 Y77	N61-Q74 WeakPolarHBondContact O-CG 3.44Å; N61-Q74 PolarHBondContact O-N 3.47Å; Q62-Q74 PolarHBondContact O-NE2 2.9Å; Q62-Q74 VanDerWaalsContact O-NE2 3.1Å; R63-Q74 HydrophobicContact CB-CG 4.22Å; Q74-G76 PolarHBondContact O-N 2.76Å; Q74-Y77 HydrophobicContact CB-CD2 4.02Å; Q74-Y77 WeakPolarHBondContact O-CB 3.36Å; Q74-Y77 PolarHBondContact O-N 3.43Å
75	T	81.9	Confident	70.9	Confident	72 Å²	72	69.6 Å²	69.6	44%	0.442	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	128	178.6	48.6	0	0	0	0	110.6
76	G	75.3	Confident	69.1	Low	17 Å²	17	77 Å²	77	18%	0.175	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	7.6	-176.9	0	0	0	0	0	114.9	Q74 C94	Q74-G76 PolarHBondContact O-N 2.76Å; G76-C94 VanDerWaalsContact O-CB 3.31Å; G76-C94 WeakPolarHBondContact O-CB 3.3Å; G76-C94 PolarHBondContact O-N 3.4Å
77	Y	81.4	Confident	67.7	Low	45 Å²	45	75.2 Å²	75.2	18%	0.176	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133	172.6	-71.6	-110.7	0	0	0	110.5	N61 C73 Q74 C91 E92 Q93	N61-Y77 HydrophobicContact CB-CD1 3.61Å; N61-Y77 HydrophobicContact CB-CE1 3.59Å; N61-Y77 HydrophobicContact CB-CG 4.31Å; N61-Y77 VanDerWaalsContact CG-CE1 3.46Å; C73-Y77 WeakPolarHBondContact CB-O 3.34Å; Q74-Y77 HydrophobicContact CB-CD2 4.02Å; Q74-Y77 WeakPolarHBondContact O-CB 3.36Å; Q74-Y77 PolarHBondContact O-N 3.43Å; Y77-C91 HydrophobicContact CD1-CB 4.4Å; Y77-E92 CarbonylContact C-O 3.57Å; Y77-E92 WeakPolarHBondContact CA-O 3.14Å; Y77-E92 VanDerWaalsContact CD1-C 3.41Å; Y77-Q93 VanDerWaalsContact CD1-CA 3.48Å; Y77-Q93 HydrophobicContact CD1-CB 3.91Å; Y77-Q93 HydrophobicContact CE1-CB 3.53Å; Y77-Q93 HydrophobicContact CE1-CG 4.14Å; Y77-Q93 HydrophobicContact CE2-CB 4.36Å; Y77-Q93 HydrophobicContact CE2-CG 4.07Å; Y77-Q93 HydrophobicContact CG-CB 4.46Å
78	R	78.3	Confident	66.7	Low	76 Å²	76	74.4 Å²	74.4	29%	0.287	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	150.9	172.6	65.9	166.5	-177.6	178.5	-1.7	111.5	C91 E92 G105	R78-C91 CarbonylContact O-C 3.59Å; R78-C91 WeakPolarHBondContact O-CA 3.34Å; R78-E92 HydrophobicContact CG-CB 4.26Å; R78-E92 IonicContact CZ-OE2 3.17Å; R78-E92 PolarHBondContact N-O 3.34Å; R78-E92 IonicContact NE-OE2 3.97Å; R78-E92 PolarHBondContact NE-OE2 2.7Å; R78-E92 IonicContact NH2-OE1 2.82Å; R78-E92 IonicContact NH2-OE2 2.8Å; R78-E92 PolarHBondContact NH2-OE2 3.17Å; R78-E92 PolarHBondContact O-N 3.41Å; R78-G105 CarbonylContact C-O 3.58Å; R78-G105 WeakPolarHBondContact CA-O 3.27Å
79	T	76.4	Confident	66	Low	21 Å²	21	76 Å²	76	13%	0.129	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	124.6	171.7	-51	0	0	0	0	110.2	C73 I89 S90 G105 F106	C73-T79 PolarHBondContact SG-OG1 2.96Å; C73-T79 VanDerWaalsContact SG-OG1 3.41Å; T79-I89 HydrophobicContact CG2-CB 4.15Å; T79-I89 HydrophobicContact CG2-CG2 4.26Å; T79-S90 CarbonylContact C-O 3.54Å; T79-S90 WeakPolarHBondContact CA-O 3.26Å; T79-G105 PolarHBondContact N-O 3.08Å; T79-G105 PolarHBondContact OG1-O 3.29Å; T79-F106 HydrophobicContact CG2-CD1 4.2Å; T79-F106 HydrophobicContact CG2-CE1 3.79Å
80	L	65.4	Low	65.5	Low	59 Å²	59	76.9 Å²	76.9	31%	0.309	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.4	168.7	-71.9	177	0	0	0	109.8	S90 E92	L80-S90 PolarHBondContact N-O 3.35Å; L80-E92 HydrophobicContact CD1-CB 3.6Å; L80-E92 HydrophobicContact CD1-CG 4.28Å; L80-E92 WeakPolarHBondContact CD2-OE2 3.35Å; L80-E92 HydrophobicContact CG-CB 3.88Å
81	N	54.5	Low	65.5	Low	136 Å²	136	75 Å²	75	73%	0.727	40%	0.397	S	S	*	.			trans	24	116.1	172	-72.9	-10.3	0	0	0	118.1	F83	N81-F83 PolarHBondContact O-N 3.28Å
82	V	51.4	Low	65.5	Low	94 Å²	94	77.7 Å²	77.7	57%	0.57	41%	0.408	S	S	*	.			trans	-81.2	4	173	-174	0	0	0	0	112.7	N84 F106	V82-N84 PolarHBondContact O-N 3.4Å; V82-F106 HydrophobicContact CG2-CE1 3.74Å; V82-F106 HydrophobicContact CG2-CZ 4.01Å
83	F	42.2	Very low	65.6	Low	155 Å²	155	80.5 Å²	80.5	68%	0.68	42%	0.42	S	S	*	.			trans	-98	74.6	-171	-68.1	-80.6	0	0	0	112.2	N81	N81-F83 PolarHBondContact O-N 3.28Å
84	N	37.2	Very low	65.6	Low	146 Å²	146	80.3 Å²	80.3	78%	0.781	42%	0.418	S	S	*	.	S	Bend	trans	-157.9	149.8	148.8	-91.6	-28.5	0	0	0	107.1	V82 K86	V82-N84 PolarHBondContact O-N 3.4Å; N84-K86 PolarHBondContact O-N 2.79Å
85	D	40.7	Very low	65.6	Low	129 Å²	129	79.7 Å²	79.7	69%	0.69	42%	0.421	S	S	*	.	S	Bend	trans	-56.4	17.5	-175.5	-77.5	-45.1	0	0	0	116.7
86	K	42.9	Very low	65.4	Low	167 Å²	167	83 Å²	83	73%	0.726	44%	0.441	S	S	*	.	S	Bend	trans	-118.8	133.1	177.1	-69.9	-176.4	177	-178.8	0	110.4	N84 S88	N84-K86 PolarHBondContact O-N 2.79Å; K86-S88 PolarHBondContact O-N 3.34Å
87	I	49.4	Very low	65.4	Low	92 Å²	92	86.7 Å²	86.7	47%	0.472	46%	0.457	S	S	.	.	S	Bend	trans	-56	3.1	175.6	-62	160.2	0	0	0	113.4	F47 I89	F47-I87 HydrophobicContact CZ-CG2 4.08Å; I87-I89 PolarHBondContact O-N 3.26Å
88	S	54.2	Low	65.4	Low	77 Å²	77	87.7 Å²	87.7	54%	0.538	46%	0.46	S	S	.	.			trans	-85.8	102.6	178.7	57.8	0	0	0	0	110.7	K86	K86-S88 PolarHBondContact O-N 3.34Å
89	I	66.4	Low	65.2	Low	38 Å²	38	87 Å²	87	20%	0.195	47%	0.465	C	S	.	.			trans	-59.3	146.7	158.2	57.6	170.7	0	0	0	108.9	Q62 C71 T79 I87	Q62-I89 HydrophobicContact CG-CD1 4.04Å; Q62-I89 HydrophobicContact CG-CG1 4.01Å; Q62-I89 PolarHBondContact NE2-O 2.66Å; C71-I89 HydrophobicContact CB-CD1 4.29Å; C71-I89 VanDerWaalsContact O-CD1 3.24Å; C71-I89 WeakPolarHBondContact O-CD1 3.39Å; T79-I89 HydrophobicContact CG2-CB 4.15Å; T79-I89 HydrophobicContact CG2-CG2 4.26Å; I87-I89 PolarHBondContact O-N 3.26Å
90	S	71	Confident	65.3	Low	64 Å²	64	86 Å²	86	45%	0.448	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.2	171.3	-177.3	0	0	0	0	108.8	T79 L80	T79-S90 CarbonylContact C-O 3.54Å; T79-S90 WeakPolarHBondContact CA-O 3.26Å; L80-S90 PolarHBondContact N-O 3.35Å
91	C	80.5	Confident	66.1	Low	10 Å²	10	83.7 Å²	83.7	7%	0.068	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.1	-173.1	-60.7	0	0	0	0	110.9	N61 Q62 C73 Y77 R78	N61-C91 HydrophobicContact CB-CB 4Å; N61-C91 WeakPolarHBondContact O-CB 3.49Å; Q62-C91 HydrophobicContact CG-CB 4.48Å; Q62-C91 WeakPolarHBondContact CG-SG 3.47Å; C73-C91 WeakPolarHBondContact CA-SG 3.5Å; C73-C91 HydrophobicContact CB-CB 3.78Å; C73-C91 WeakPolarHBondContact CB-SG 3.45Å; C73-C91 WeakPolarHBondContact SG-CB 3.35Å; C73-C91 CovalentContact SG-SG 2.03Å; C73-C91 PolarHBondContact SG-SG 3.03Å; Y77-C91 HydrophobicContact CD1-CB 4.4Å; R78-C91 CarbonylContact O-C 3.59Å; R78-C91 WeakPolarHBondContact O-CA 3.34Å
92	E	82.6	Confident	66.9	Low	78 Å²	78	77.2 Å²	77.2	36%	0.364	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.3	178.6	-175.4	-172.6	-161.7	0	0	110.4	Y77 R78 L80	Y77-E92 CarbonylContact C-O 3.57Å; Y77-E92 WeakPolarHBondContact CA-O 3.14Å; Y77-E92 VanDerWaalsContact CD1-C 3.41Å; R78-E92 HydrophobicContact CG-CB 4.26Å; R78-E92 IonicContact CZ-OE2 3.17Å; R78-E92 PolarHBondContact N-O 3.34Å; R78-E92 IonicContact NE-OE2 3.97Å; R78-E92 PolarHBondContact NE-OE2 2.7Å; R78-E92 IonicContact NH2-OE1 2.82Å; R78-E92 IonicContact NH2-OE2 2.8Å; R78-E92 PolarHBondContact NH2-OE2 3.17Å; R78-E92 PolarHBondContact O-N 3.41Å; L80-E92 HydrophobicContact CD1-CB 3.6Å; L80-E92 HydrophobicContact CD1-CG 4.28Å; L80-E92 WeakPolarHBondContact CD2-OE2 3.35Å; L80-E92 HydrophobicContact CG-CB 3.88Å
93	Q	82.9	Confident	67.8	Low	124 Å²	124	77 Å²	77	58%	0.579	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.7	-178.9	-166.4	175.4	4	0	0	111	Y77	Y77-Q93 VanDerWaalsContact CD1-CA 3.48Å; Y77-Q93 HydrophobicContact CD1-CB 3.91Å; Y77-Q93 HydrophobicContact CE1-CB 3.53Å; Y77-Q93 HydrophobicContact CE1-CG 4.14Å; Y77-Q93 HydrophobicContact CE2-CB 4.36Å; Y77-Q93 HydrophobicContact CE2-CG 4.07Å; Y77-Q93 HydrophobicContact CG-CB 4.46Å
94	C	81.5	Confident	68.7	Low	11 Å²	11	72.3 Å²	72.3	7%	0.074	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-69.8	138.7	174.4	-76	0	0	0	0	111.9	G76 R98 C108	G76-C94 VanDerWaalsContact O-CB 3.31Å; G76-C94 WeakPolarHBondContact O-CB 3.3Å; G76-C94 PolarHBondContact O-N 3.4Å; C94-R98 WeakPolarHBondContact CB-O 3.34Å; C94-C108 WeakPolarHBondContact CA-SG 3.09Å; C94-C108 HydrophobicContact CB-CB 3.61Å; C94-C108 WeakPolarHBondContact CB-SG 3.49Å; C94-C108 WeakPolarHBondContact SG-CB 3.28Å; C94-C108 CovalentContact SG-SG 2.03Å; C94-C108 PolarHBondContact SG-SG 3.31Å
95	P	82.4	Confident	70.3	Confident	62 Å²	62	66.1 Å²	66.1	40%	0.403	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-56.3	146.4	176	-26.7	36	0	0	0	112.9	D97 R98	P95-D97 WeakPolarHBondContact CB-OD1 3.22Å; P95-D97 PolarHBondContact O-N 3.31Å; P95-D97 VanDerWaalsContact O-N 3.14Å; P95-R98 CarbonylContact O-C 3.41Å; P95-R98 WeakPolarHBondContact O-CA 3.21Å; P95-R98 PolarHBondContact O-N 2.88Å
96	T	76.4	Confident	71.7	Confident	143 Å²	143	64.4 Å²	64.4	88%	0.877	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.6	-178	53.1	0	0	0	0	114.7	R98	T96-R98 VanDerWaalsContact C-N 3.34Å
97	D	75.5	Confident	73.2	Confident	93 Å²	93	56.5 Å²	56.5	50%	0.497	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-17.8	173.7	60.9	-53.6	0	0	0	113.3	P95	P95-D97 WeakPolarHBondContact CB-OD1 3.22Å; P95-D97 PolarHBondContact O-N 3.31Å; P95-D97 VanDerWaalsContact O-N 3.14Å
98	R	81.5	Confident	74.7	Confident	66 Å²	66	52.5 Å²	52.5	25%	0.249	29%	0.291	C	S	.	.	S	Bend	trans	-136.7	67	-179.2	-61.6	178.9	-158.7	-146.6	-4.6	110.8	C94 P95 T96 A100 C108 I109 N140	C94-R98 WeakPolarHBondContact CB-O 3.34Å; P95-R98 CarbonylContact O-C 3.41Å; P95-R98 WeakPolarHBondContact O-CA 3.21Å; P95-R98 PolarHBondContact O-N 2.88Å; T96-R98 VanDerWaalsContact C-N 3.34Å; R98-A100 VanDerWaalsContact C-N 3.26Å; R98-A100 PolarHBondContact O-N 3.4Å; R98-C108 HydrophobicContact CB-CB 4.18Å; R98-I109 CarbonylContact C-O 3.6Å; R98-N140 PolarHBondContact NH1-OD1 3.22Å; R98-N140 PolarHBondContact NH2-OD1 3.41Å
99	P	74.5	Confident	76.1	Confident	61 Å²	61	48.9 Å²	48.9	40%	0.396	27%	0.265	S	S	.	.			trans	-74.1	-12.8	-168	29.9	-36.8	0	0	0	114.4
100	A	78.9	Confident	76.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142	-179.2	0	0	0	0	0	111.3	R98 C108 I109 C111 L115 G119	R98-A100 VanDerWaalsContact C-N 3.26Å; R98-A100 PolarHBondContact O-N 3.4Å; A100-C108 CarbonylContact O-C 3.46Å; A100-C108 WeakPolarHBondContact O-CA 3.49Å; A100-I109 HydrophobicContact CB-CG2 4.2Å; A100-I109 VanDerWaalsContact CB-O 3.29Å; A100-I109 WeakPolarHBondContact CB-O 3.3Å; A100-I109 PolarHBondContact N-O 3.37Å; A100-I109 PolarHBondContact O-N 2.81Å; A100-C111 WeakPolarHBondContact CB-SG 3.45Å; A100-L115 HydrophobicContact CB-CD1 4.06Å; A100-L115 HydrophobicContact CB-CG 4.29Å; A100-G119 CarbonylContact C-O 3.4Å; A100-G119 WeakPolarHBondContact CA-O 3.2Å
101	V	80.7	Confident	77.2	Confident	11 Å²	11	51.9 Å²	51.9	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.9	170.5	-171.1	0	0	0	0	108.1	G107 G119	V101-G107 WeakPolarHBondContact CA-O 3.4Å; V101-G119 PolarHBondContact N-O 2.9Å
102	T	72.4	Confident	76.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-58.9	156.8	173.7	50.3	0	0	0	0	111.4	D104 G105 F106 G107 I109 E131	T102-D104 VanDerWaalsContact CB-OD1 3.23Å; T102-D104 WeakPolarHBondContact CB-OD1 3.36Å; T102-D104 PolarHBondContact O-N 3.1Å; T102-D104 PolarHBondContact OG1-OD1 3.31Å; T102-G105 WeakPolarHBondContact O-CA 3.28Å; T102-G105 PolarHBondContact O-N 3.32Å; T102-F106 PolarHBondContact OG1-N 3.22Å; T102-G107 PolarHBondContact N-O 3.31Å; T102-G107 WeakPolarHBondContact OG1-CA 3.41Å; T102-G107 PolarHBondContact OG1-N 2.77Å; T102-G107 PolarHBondContact OG1-O 2.92Å; T102-I109 HydrophobicContact CG2-CB 4.15Å; T102-I109 HydrophobicContact CG2-CG2 3.89Å; T102-E131 VanDerWaalsContact CA-OE2 3.3Å; T102-E131 WeakPolarHBondContact CA-OE2 3.29Å; T102-E131 VanDerWaalsContact CB-OE2 3.3Å; T102-E131 WeakPolarHBondContact CB-OE2 3.21Å; T102-E131 HydrophobicContact CG2-CB 3.96Å
103	Q	69.3	Low	76	Confident	91 Å²	91	60.2 Å²	60.2	43%	0.425	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.3	179.9	-76.5	-67.1	-11.7	0	0	113	G105 K120 C121 L129 E131	Q103-G105 VanDerWaalsContact C-N 3.26Å; Q103-G105 PolarHBondContact O-N 3.24Å; Q103-K120 PolarHBondContact O-NZ 2.89Å; Q103-K120 VanDerWaalsContact OE1-CD 3.25Å; Q103-C121 PolarHBondContact NE2-O 3.31Å; Q103-L129 HydrophobicContact CG-CD2 3.61Å; Q103-E131 PolarHBondContact N-OE1 3.26Å; Q103-E131 PolarHBondContact N-OE2 2.7Å
104	D	61	Low	75.2	Confident	56 Å²	56	57.3 Å²	57.3	30%	0.299	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.3	175.7	66.1	7.1	0	0	0	113.7	T102 F106 R132	T102-D104 VanDerWaalsContact CB-OD1 3.23Å; T102-D104 WeakPolarHBondContact CB-OD1 3.36Å; T102-D104 PolarHBondContact O-N 3.1Å; T102-D104 PolarHBondContact OG1-OD1 3.31Å; D104-F106 VanDerWaalsContact C-N 3.31Å; D104-F106 HydrophobicContact CB-CD2 4.02Å; D104-F106 WeakPolarHBondContact O-CD2 3.47Å; D104-F106 WeakPolarHBondContact O-CE2 3.43Å; D104-F106 PolarHBondContact O-N 2.69Å; D104-F106 PolarHBondContact OD1-N 3.28Å; D104-F106 VanDerWaalsContact OD1-N 3.11Å; D104-R132 IonicContact OD1-NH2 3.51Å; D104-R132 IonicContact OD2-CZ 2.67Å; D104-R132 IonicContact OD2-NE 2.65Å; D104-R132 PolarHBondContact OD2-NE 2.89Å; D104-R132 IonicContact OD2-NH2 2.79Å; D104-R132 PolarHBondContact OD2-NH2 3.04Å
105	G	72	Confident	74.7	Confident	15 Å²	15	60.9 Å²	60.9	16%	0.155	31%	0.314	C	S	.	.	S	Bend	trans	82.3	-4.6	177.7	0	0	0	0	0	115.4	R78 T79 T102 Q103	R78-G105 CarbonylContact C-O 3.58Å; R78-G105 WeakPolarHBondContact CA-O 3.27Å; T79-G105 PolarHBondContact N-O 3.08Å; T79-G105 PolarHBondContact OG1-O 3.29Å; T102-G105 WeakPolarHBondContact O-CA 3.28Å; T102-G105 PolarHBondContact O-N 3.32Å; Q103-G105 VanDerWaalsContact C-N 3.26Å; Q103-G105 PolarHBondContact O-N 3.24Å
106	F	70	Confident	74.1	Confident	94 Å²	94	59 Å²	59	41%	0.412	30%	0.302	S	S	.	.	S	Bend	trans	-100	-3.4	-169.4	-66.1	-75.8	0	0	0	114.7	T79 V82 T102 D104	T79-F106 HydrophobicContact CG2-CD1 4.2Å; T79-F106 HydrophobicContact CG2-CE1 3.79Å; V82-F106 HydrophobicContact CG2-CE1 3.74Å; V82-F106 HydrophobicContact CG2-CZ 4.01Å; T102-F106 PolarHBondContact OG1-N 3.22Å; D104-F106 VanDerWaalsContact C-N 3.31Å; D104-F106 HydrophobicContact CB-CD2 4.02Å; D104-F106 WeakPolarHBondContact O-CD2 3.47Å; D104-F106 WeakPolarHBondContact O-CE2 3.43Å; D104-F106 PolarHBondContact O-N 2.69Å; D104-F106 PolarHBondContact OD1-N 3.28Å; D104-F106 VanDerWaalsContact OD1-N 3.11Å
107	G	73.3	Confident	73.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	30%	0.3	C	S	.	.			trans	-138.9	159.8	-174.4	0	0	0	0	0	112.7	V101 T102	V101-G107 WeakPolarHBondContact CA-O 3.4Å; T102-G107 PolarHBondContact N-O 3.31Å; T102-G107 WeakPolarHBondContact OG1-CA 3.41Å; T102-G107 PolarHBondContact OG1-N 2.77Å; T102-G107 PolarHBondContact OG1-O 2.92Å
108	C	81.4	Confident	72.9	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.054	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.7	173.4	-57.2	0	0	0	0	109	C94 R98 A100	C94-C108 WeakPolarHBondContact CA-SG 3.09Å; C94-C108 HydrophobicContact CB-CB 3.61Å; C94-C108 WeakPolarHBondContact CB-SG 3.49Å; C94-C108 WeakPolarHBondContact SG-CB 3.28Å; C94-C108 CovalentContact SG-SG 2.03Å; C94-C108 PolarHBondContact SG-SG 3.31Å; R98-C108 HydrophobicContact CB-CB 4.18Å; A100-C108 CarbonylContact O-C 3.46Å; A100-C108 WeakPolarHBondContact O-CA 3.49Å
109	I	83.9	Confident	72.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160	-173.2	-168.5	154.3	0	0	0	111.4	R98 A100 T102 E131 L139 A142	R98-I109 CarbonylContact C-O 3.6Å; A100-I109 HydrophobicContact CB-CG2 4.2Å; A100-I109 VanDerWaalsContact CB-O 3.29Å; A100-I109 WeakPolarHBondContact CB-O 3.3Å; A100-I109 PolarHBondContact N-O 3.37Å; A100-I109 PolarHBondContact O-N 2.81Å; T102-I109 HydrophobicContact CG2-CB 4.15Å; T102-I109 HydrophobicContact CG2-CG2 3.89Å; I109-E131 HydrophobicContact CD1-CB 3.71Å; I109-E131 HydrophobicContact CD1-CG 4.15Å; I109-E131 VanDerWaalsContact CD1-O 3.22Å; I109-E131 WeakPolarHBondContact CD1-O 3.48Å; I109-L139 HydrophobicContact CD1-CB 4Å; I109-L139 WeakPolarHBondContact CD1-O 3.17Å; I109-L139 WeakPolarHBondContact CG1-O 3.28Å; I109-A142 HydrophobicContact CD1-CB 3.71Å; I109-A142 HydrophobicContact CG1-CB 4.04Å
110	R	81.9	Confident	72.6	Confident	147 Å²	147	55.7 Å²	55.7	56%	0.555	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-96.2	129.5	171.2	-171.9	168	177.7	-174.2	4.7	110.3	N140 D141 A142	R110-N140 VanDerWaalsContact CB-O 3.24Å; R110-N140 WeakPolarHBondContact CB-O 3.48Å; R110-N140 PolarHBondContact N-O 3.01Å; R110-D141 WeakPolarHBondContact CB-OD1 3.39Å; R110-D141 WeakPolarHBondContact CD-OD1 3.31Å; R110-D141 WeakPolarHBondContact CG-OD1 3.25Å; R110-D141 IonicContact NE-OD1 2.76Å; R110-D141 CarbonylContact O-C 3.59Å; R110-D141 WeakPolarHBondContact O-CA 3.32Å; R110-A142 PolarHBondContact O-N 2.93Å
111	C	78.6	Confident	72.6	Confident	19 Å²	19	55.7 Å²	55.7	13%	0.128	29%	0.285	C	S	.	.			trans	-84	141.1	178	-55.8	0	0	0	0	111.4	A100 R113 L115 C121	A100-C111 WeakPolarHBondContact CB-SG 3.45Å; C111-R113 VanDerWaalsContact C-N 3.29Å; C111-R113 PolarHBondContact O-N 3.27Å; C111-L115 HydrophobicContact CB-CD1 4.07Å; C111-L115 VanDerWaalsContact SG-CD1 3.6Å; C111-C121 WeakPolarHBondContact CA-SG 3.26Å; C111-C121 HydrophobicContact CB-CB 3.9Å; C111-C121 WeakPolarHBondContact CB-SG 3.4Å; C111-C121 WeakPolarHBondContact SG-CA 3.34Å; C111-C121 WeakPolarHBondContact SG-CB 3.47Å; C111-C121 CovalentContact SG-SG 2.03Å; C111-C121 PolarHBondContact SG-SG 2.88Å
112	P	69.4	Low	72.1	Confident	67 Å²	67	60.1 Å²	60.1	44%	0.435	31%	0.305	S	S	.	.	S	Bend	trans	-71.8	-19.7	-178.1	26.9	-34.7	0	0	0	113.6	A142	P112-A142 VanDerWaalsContact CD-O 3.26Å; P112-A142 WeakPolarHBondContact CD-O 3.37Å; P112-A142 VanDerWaalsContact CG-O 3.22Å; P112-A142 WeakPolarHBondContact CG-O 3.48Å
113	R	67.9	Low	72.1	Confident	196 Å²	196	61.9 Å²	61.9	74%	0.74	32%	0.317	S	S	*	.	S	Bend	trans	-141	-81.7	177.8	-72	-173.4	176.5	156	-0.1	113.4	C111	C111-R113 VanDerWaalsContact C-N 3.29Å; C111-R113 PolarHBondContact O-N 3.27Å
114	S	67.1	Low	71.8	Confident	63 Å²	63	63.5 Å²	63.5	44%	0.441	32%	0.324	S	S	.	.			trans	-116.4	138.6	-170.2	52.2	0	0	0	0	112.3
115	L	70.6	Confident	71.6	Confident	86 Å²	86	67 Å²	67	45%	0.45	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-81.3	135.1	163.7	-105.7	77.1	0	0	0	109	A100 C111	A100-L115 HydrophobicContact CB-CD1 4.06Å; A100-L115 HydrophobicContact CB-CG 4.29Å; C111-L115 HydrophobicContact CB-CD1 4.07Å; C111-L115 VanDerWaalsContact SG-CD1 3.6Å
116	S	68.9	Low	70.8	Confident	21 Å²	21	69.6 Å²	69.6	15%	0.147	38%	0.38	C	S	.	.			trans	-62.3	158.8	161.6	-176.8	0	0	0	0	110.5	D118 G119 K120 Q122	S116-D118 PolarHBondContact O-N 3.41Å; S116-D118 VanDerWaalsContact O-N 3.08Å; S116-D118 PolarHBondContact OG-N 2.73Å; S116-G119 PolarHBondContact O-N 3.47Å; S116-K120 WeakPolarHBondContact CB-O 3.5Å; S116-K120 PolarHBondContact N-O 3.08Å; S116-Q122 PolarHBondContact OG-NE2 2.92Å
117	T	64.5	Low	70.4	Confident	136 Å²	136	71.3 Å²	71.3	83%	0.834	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.5	170.2	48	0	0	0	0	113.2
118	D	63.7	Low	69.8	Low	83 Å²	83	72.5 Å²	72.5	44%	0.444	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.9	176.4	-65.5	-51.1	0	0	0	114.5	R63 S116	R63-D118 IonicContact NH2-OD1 3.96Å; S116-D118 PolarHBondContact O-N 3.41Å; S116-D118 VanDerWaalsContact O-N 3.08Å; S116-D118 PolarHBondContact OG-N 2.73Å
119	G	70.6	Confident	69.2	Low	9 Å²	9	74.3 Å²	74.3	9%	0.093	40%	0.399	C	S	.	.	S	Bend	trans	76.4	20.9	178.9	0	0	0	0	0	114.8	A100 V101 S116	A100-G119 CarbonylContact C-O 3.4Å; A100-G119 WeakPolarHBondContact CA-O 3.2Å; V101-G119 PolarHBondContact N-O 2.9Å; S116-G119 PolarHBondContact O-N 3.47Å
120	K	78.6	Confident	68.5	Low	66 Å²	66	75.7 Å²	75.7	29%	0.287	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-109.7	155.6	177.6	-59.9	-169.6	176.6	-167.7	0	112.2	Q103 S116	Q103-K120 PolarHBondContact O-NZ 2.89Å; Q103-K120 VanDerWaalsContact OE1-CD 3.25Å; S116-K120 WeakPolarHBondContact CB-O 3.5Å; S116-K120 PolarHBondContact N-O 3.08Å
121	C	78.1	Confident	67.9	Low	0 Å²	0	69 Å²	69	0%	0	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-74.6	147.9	174.8	-59.5	0	0	0	0	112.4	Q103 C111 L129 A142	Q103-C121 PolarHBondContact NE2-O 3.31Å; C111-C121 WeakPolarHBondContact CA-SG 3.26Å; C111-C121 HydrophobicContact CB-CB 3.9Å; C111-C121 WeakPolarHBondContact CB-SG 3.4Å; C111-C121 WeakPolarHBondContact SG-CA 3.34Å; C111-C121 WeakPolarHBondContact SG-CB 3.47Å; C111-C121 CovalentContact SG-SG 2.03Å; C111-C121 PolarHBondContact SG-SG 2.88Å; C121-L129 HydrophobicContact CB-CD1 3.61Å; C121-L129 HydrophobicContact CB-CD2 3.92Å; C121-L129 HydrophobicContact CB-CG 4.37Å; C121-L129 WeakPolarHBondContact O-CD2 3.38Å; C121-A142 HydrophobicContact CB-CB 4.3Å
122	Q	71.3	Confident	67.2	Low	104 Å²	104	69.8 Å²	69.8	49%	0.486	38%	0.383	S	S	.	.			trans	-128.8	141.9	176	-72.3	-179.3	-16.1	0	0	111.4	S116	S116-Q122 PolarHBondContact OG-NE2 2.92Å
123	C	71.1	Confident	66.6	Low	38 Å²	38	68.9 Å²	68.9	26%	0.257	38%	0.375	S	S	.	.			trans	-111.6	159.7	172.3	-68.3	0	0	0	0	110.8	L129 C144	C123-L129 VanDerWaalsContact SG-CA 3.57Å; C123-L129 VanDerWaalsContact SG-CD1 3.53Å; C123-C144 VanDerWaalsContact CA-SG 3.55Å; C123-C144 HydrophobicContact CB-CB 3.87Å; C123-C144 WeakPolarHBondContact CB-SG 3.33Å; C123-C144 WeakPolarHBondContact SG-CA 3.47Å; C123-C144 WeakPolarHBondContact SG-CB 3.48Å; C123-C144 CovalentContact SG-SG 2.04Å; C123-C144 PolarHBondContact SG-SG 3.16Å
124	Q	64.3	Low	65.8	Low	125 Å²	125	65.1 Å²	65.1	58%	0.584	37%	0.368	S	S	*	.			trans	-69.3	154.3	174.3	-72.4	174.5	-30.3	0	0	111.2	G126 Y127	Q124-G126 PolarHBondContact O-N 3.41Å; Q124-Y127 HydrophobicContact CB-CD2 4.47Å; Q124-Y127 PolarHBondContact O-N 2.92Å
125	S	56.5	Low	64.8	Low	130 Å²	130	66.5 Å²	66.5	91%	0.909	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	127.5	176.4	-57.5	0	0	0	0	111.3
126	G	54.3	Low	63.8	Low	69 Å²	69	63 Å²	63	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-5.7	-176.3	0	0	0	0	0	115.5	Q124	Q124-G126 PolarHBondContact O-N 3.41Å
127	Y	62.4	Low	63.6	Low	129 Å²	129	66.2 Å²	66.2	51%	0.506	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.7	175.9	-69.7	-98.4	0	0	0	111.9	Q124 C144 E145	Q124-Y127 HydrophobicContact CB-CD2 4.47Å; Q124-Y127 PolarHBondContact O-N 2.92Å; Y127-C144 HydrophobicContact CD1-CB 4.43Å; Y127-E145 CarbonylContact C-O 3.56Å; Y127-E145 VanDerWaalsContact CA-O 3.26Å; Y127-E145 WeakPolarHBondContact CA-O 3.24Å
128	I	60.5	Low	63.7	Low	27 Å²	27	61.8 Å²	61.8	14%	0.138	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.4	177.4	57.4	162.5	0	0	0	111.2	V130 C144 E145 C147 C164	I128-V130 HydrophobicContact CD1-CG2 3.72Å; I128-V130 HydrophobicContact CG1-CG2 3.99Å; I128-V130 PolarHBondContact O-N 3.15Å; I128-C144 CarbonylContact O-C 3.59Å; I128-C144 WeakPolarHBondContact O-CA 3.48Å; I128-E145 HydrophobicContact CD1-CB 4.11Å; I128-E145 HydrophobicContact CG1-CB 3.79Å; I128-E145 WeakPolarHBondContact CG1-O 3.43Å; I128-E145 PolarHBondContact N-O 3.05Å; I128-E145 PolarHBondContact O-N 3.41Å; I128-C147 HydrophobicContact CG2-CB 4.41Å; I128-C147 WeakPolarHBondContact CG2-SG 3.22Å; I128-C164 HydrophobicContact CG2-CB 3.52Å
129	L	69.8	Low	64.1	Low	46 Å²	46	59.1 Å²	59.1	24%	0.241	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111	173.2	-177.5	69.6	0	0	0	109.6	Q103 C121 C123 E131 A142	Q103-L129 HydrophobicContact CG-CD2 3.61Å; C121-L129 HydrophobicContact CB-CD1 3.61Å; C121-L129 HydrophobicContact CB-CD2 3.92Å; C121-L129 HydrophobicContact CB-CG 4.37Å; C121-L129 WeakPolarHBondContact O-CD2 3.38Å; C123-L129 VanDerWaalsContact SG-CA 3.57Å; C123-L129 VanDerWaalsContact SG-CD1 3.53Å; L129-E131 HydrophobicContact CD1-CG 4.31Å; L129-E131 HydrophobicContact CD2-CG 4.15Å; L129-E131 WeakPolarHBondContact CD2-OE1 3.2Å; L129-E131 HydrophobicContact CG-CG 3.82Å; L129-A142 HydrophobicContact CD1-CB 3.88Å
130	V	69.1	Low	64.1	Low	29 Å²	29	63.4 Å²	63.4	18%	0.176	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.7	177	-175.5	0	0	0	0	108.8	I128 L139 A142 R143 E145	I128-V130 HydrophobicContact CD1-CG2 3.72Å; I128-V130 HydrophobicContact CG1-CG2 3.99Å; I128-V130 PolarHBondContact O-N 3.15Å; V130-L139 HydrophobicContact CG1-CD1 4.06Å; V130-A142 WeakPolarHBondContact O-CA 3.34Å; V130-R143 HydrophobicContact CB-CB 4.29Å; V130-R143 PolarHBondContact N-O 3.34Å; V130-R143 PolarHBondContact O-N 3.37Å; V130-E145 HydrophobicContact CG2-CB 4.12Å; V130-E145 HydrophobicContact CG2-CG 4.01Å
131	E	68.7	Low	64	Low	7 Å²	7	64.1 Å²	64.1	3%	0.033	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-7.5	-174.3	-62	178.2	138.6	0	0	113.7	T102 Q103 I109 L129 P138 L139 A142	T102-E131 VanDerWaalsContact CA-OE2 3.3Å; T102-E131 WeakPolarHBondContact CA-OE2 3.29Å; T102-E131 VanDerWaalsContact CB-OE2 3.3Å; T102-E131 WeakPolarHBondContact CB-OE2 3.21Å; T102-E131 HydrophobicContact CG2-CB 3.96Å; Q103-E131 PolarHBondContact N-OE1 3.26Å; Q103-E131 PolarHBondContact N-OE2 2.7Å; I109-E131 HydrophobicContact CD1-CB 3.71Å; I109-E131 HydrophobicContact CD1-CG 4.15Å; I109-E131 VanDerWaalsContact CD1-O 3.22Å; I109-E131 WeakPolarHBondContact CD1-O 3.48Å; L129-E131 HydrophobicContact CD1-CG 4.31Å; L129-E131 HydrophobicContact CD2-CG 4.15Å; L129-E131 WeakPolarHBondContact CD2-OE1 3.2Å; L129-E131 HydrophobicContact CG-CG 3.82Å; E131-P138 WeakPolarHBondContact O-CA 3.4Å; E131-L139 PolarHBondContact O-N 3.03Å; E131-A142 HydrophobicContact CG-CB 4.12Å
132	R	63	Low	63.9	Low	34 Å²	34	64.2 Å²	64.2	13%	0.128	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.3	-177.2	-68	174.8	177.8	-82.9	-2.4	110.5	D104 G136 N137 R166	D104-R132 IonicContact OD1-NH2 3.51Å; D104-R132 IonicContact OD2-CZ 2.67Å; D104-R132 IonicContact OD2-NE 2.65Å; D104-R132 PolarHBondContact OD2-NE 2.89Å; D104-R132 IonicContact OD2-NH2 2.79Å; D104-R132 PolarHBondContact OD2-NH2 3.04Å; R132-G136 WeakPolarHBondContact CD-O 3.47Å; R132-G136 PolarHBondContact NH1-O 2.97Å; R132-N137 CarbonylContact C-O 3.5Å; R132-N137 WeakPolarHBondContact CA-O 3.31Å; R132-N137 VanDerWaalsContact CB-O 3.31Å; R132-N137 WeakPolarHBondContact CB-O 3.49Å; R132-R166 VanDerWaalsContact CD-NH2 3.28Å
133	D	58.1	Low	64	Low	49 Å²	49	66.1 Å²	66.1	26%	0.262	36%	0.361	S	S	.	.			trans	-75	175.4	174.1	72.8	11.3	0	0	0	112	N135 G136 N137 L139	D133-N135 PolarHBondContact O-N 3.39Å; D133-N135 WeakPolarHBondContact OD1-CA 3.36Å; D133-N135 WeakPolarHBondContact OD1-CB 3.39Å; D133-N135 PolarHBondContact OD1-N 3.27Å; D133-G136 PolarHBondContact O-N 3.2Å; D133-G136 PolarHBondContact OD1-N 3.38Å; D133-N137 PolarHBondContact N-O 3.25Å; D133-N137 PolarHBondContact OD1-N 2.92Å; D133-N137 PolarHBondContact OD2-ND2 3.39Å; D133-L139 HydrophobicContact CB-CD2 3.93Å
134	I	50.4	Low	64.1	Low	117 Å²	117	66.5 Å²	66.5	60%	0.6	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.1	178.2	57.4	166.8	0	0	0	114.7
135	N	47.2	Very low	64.1	Low	91 Å²	91	64.5 Å²	64.5	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-0.2	177.1	-61	-43.9	0	0	0	111.6	D133 N173	D133-N135 PolarHBondContact O-N 3.39Å; D133-N135 WeakPolarHBondContact OD1-CA 3.36Å; D133-N135 WeakPolarHBondContact OD1-CB 3.39Å; D133-N135 PolarHBondContact OD1-N 3.27Å; N135-N173 PolarHBondContact O-ND2 2.98Å
136	G	49.2	Very low	64.2	Low	14 Å²	14	60.9 Å²	60.9	14%	0.144	33%	0.333	C	S	.	.	S	Bend	trans	86.1	3.1	-178.1	0	0	0	0	0	114.5	R132 D133	R132-G136 WeakPolarHBondContact CD-O 3.47Å; R132-G136 PolarHBondContact NH1-O 2.97Å; D133-G136 PolarHBondContact O-N 3.2Å; D133-G136 PolarHBondContact OD1-N 3.38Å
137	N	63.4	Low	64.2	Low	88 Å²	88	60.2 Å²	60.2	47%	0.471	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-76.9	141	178	-57.9	-51.9	0	0	0	110.4	R132 D133 L139	R132-N137 CarbonylContact C-O 3.5Å; R132-N137 WeakPolarHBondContact CA-O 3.31Å; R132-N137 VanDerWaalsContact CB-O 3.31Å; R132-N137 WeakPolarHBondContact CB-O 3.49Å; D133-N137 PolarHBondContact N-O 3.25Å; D133-N137 PolarHBondContact OD1-N 2.92Å; D133-N137 PolarHBondContact OD2-ND2 3.39Å; N137-L139 PolarHBondContact O-N 3.18Å
138	P	66.9	Low	63.8	Low	43 Å²	43	60.5 Å²	60.5	28%	0.279	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	130.5	174.6	26.8	-31.4	0	0	0	110.5	E131	E131-P138 WeakPolarHBondContact O-CA 3.4Å
139	L	72.4	Confident	63.3	Low	27 Å²	27	66.2 Å²	66.2	14%	0.141	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	155	172.4	-68.1	171.2	0	0	0	109.6	I109 V130 E131 D133 N137 D141 R143	I109-L139 HydrophobicContact CD1-CB 4Å; I109-L139 WeakPolarHBondContact CD1-O 3.17Å; I109-L139 WeakPolarHBondContact CG1-O 3.28Å; V130-L139 HydrophobicContact CG1-CD1 4.06Å; E131-L139 PolarHBondContact O-N 3.03Å; D133-L139 HydrophobicContact CB-CD2 3.93Å; N137-L139 PolarHBondContact O-N 3.18Å; L139-D141 WeakPolarHBondContact CB-O 3.47Å; L139-R143 HydrophobicContact CD1-CG 4.33Å
140	N	71.6	Confident	62.4	Low	99 Å²	99	70.9 Å²	70.9	53%	0.529	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-40.3	174.2	-66.7	-20.9	0	0	0	111.1	R98 R110	R98-N140 PolarHBondContact NH1-OD1 3.22Å; R98-N140 PolarHBondContact NH2-OD1 3.41Å; R110-N140 VanDerWaalsContact CB-O 3.24Å; R110-N140 WeakPolarHBondContact CB-O 3.48Å; R110-N140 PolarHBondContact N-O 3.01Å
141	D	76.3	Confident	61.6	Low	80 Å²	80	75 Å²	75	43%	0.428	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.3	174.5	-62.3	-68.1	0	0	0	109.7	R110 L139	R110-D141 WeakPolarHBondContact CB-OD1 3.39Å; R110-D141 WeakPolarHBondContact CD-OD1 3.31Å; R110-D141 WeakPolarHBondContact CG-OD1 3.25Å; R110-D141 IonicContact NE-OD1 2.76Å; R110-D141 CarbonylContact O-C 3.59Å; R110-D141 WeakPolarHBondContact O-CA 3.32Å; L139-D141 WeakPolarHBondContact CB-O 3.47Å
142	A	75.3	Confident	60.8	Low	3 Å²	3	80 Å²	80	3%	0.025	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.5	173.9	0	0	0	0	0	110	I109 R110 P112 C121 L129 V130 E131	I109-A142 HydrophobicContact CD1-CB 3.71Å; I109-A142 HydrophobicContact CG1-CB 4.04Å; R110-A142 PolarHBondContact O-N 2.93Å; P112-A142 VanDerWaalsContact CD-O 3.26Å; P112-A142 WeakPolarHBondContact CD-O 3.37Å; P112-A142 VanDerWaalsContact CG-O 3.22Å; P112-A142 WeakPolarHBondContact CG-O 3.48Å; C121-A142 HydrophobicContact CB-CB 4.3Å; L129-A142 HydrophobicContact CD1-CB 3.88Å; V130-A142 WeakPolarHBondContact O-CA 3.34Å; E131-A142 HydrophobicContact CG-CB 4.12Å
143	R	74.3	Confident	60.4	Low	143 Å²	143	80.1 Å²	80.1	54%	0.54	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142	-179.8	-59.4	178.7	-178.5	-179	-0.1	109.8	V130 L139 E145	V130-R143 HydrophobicContact CB-CB 4.29Å; V130-R143 PolarHBondContact N-O 3.34Å; V130-R143 PolarHBondContact O-N 3.37Å; L139-R143 HydrophobicContact CD1-CG 4.33Å; R143-E145 HydrophobicContact CB-CG 4.1Å
144	C	71.6	Confident	60.2	Low	47 Å²	47	79.8 Å²	79.8	32%	0.318	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	100.8	168.6	-64.6	0	0	0	0	107.7	C123 Y127 I128	C123-C144 VanDerWaalsContact CA-SG 3.55Å; C123-C144 HydrophobicContact CB-CB 3.87Å; C123-C144 WeakPolarHBondContact CB-SG 3.33Å; C123-C144 WeakPolarHBondContact SG-CA 3.47Å; C123-C144 WeakPolarHBondContact SG-CB 3.48Å; C123-C144 CovalentContact SG-SG 2.04Å; C123-C144 PolarHBondContact SG-SG 3.16Å; Y127-C144 HydrophobicContact CD1-CB 4.43Å; I128-C144 CarbonylContact O-C 3.59Å; I128-C144 WeakPolarHBondContact O-CA 3.48Å
145	E	65.6	Low	60.5	Low	82 Å²	82	75.8 Å²	75.8	38%	0.383	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	161.7	-178.3	-61.6	-175.5	179.2	0	0	110.5	Y127 I128 V130 R143	Y127-E145 CarbonylContact C-O 3.56Å; Y127-E145 VanDerWaalsContact CA-O 3.26Å; Y127-E145 WeakPolarHBondContact CA-O 3.24Å; I128-E145 HydrophobicContact CD1-CB 4.11Å; I128-E145 HydrophobicContact CG1-CB 3.79Å; I128-E145 WeakPolarHBondContact CG1-O 3.43Å; I128-E145 PolarHBondContact N-O 3.05Å; I128-E145 PolarHBondContact O-N 3.41Å; V130-E145 HydrophobicContact CG2-CB 4.12Å; V130-E145 HydrophobicContact CG2-CG 4.01Å; R143-E145 HydrophobicContact CB-CG 4.1Å
146	A	57.4	Low	61	Low	54 Å²	54	75.3 Å²	75.3	45%	0.446	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.3	174.1	0	0	0	0	0	109.5	N148	A146-N148 PolarHBondContact O-N 3.03Å
147	C	54.5	Low	61.2	Low	56 Å²	56	77.3 Å²	77.3	38%	0.378	45%	0.447	S	S	.	.			trans	-58.5	102.5	176.2	-77.3	0	0	0	0	110.1	I128 C164	I128-C147 HydrophobicContact CG2-CB 4.41Å; I128-C147 WeakPolarHBondContact CG2-SG 3.22Å; C147-C164 WeakPolarHBondContact CB-SG 3.45Å; C147-C164 WeakPolarHBondContact SG-CB 3.37Å; C147-C164 CovalentContact SG-SG 2.05Å; C147-C164 PolarHBondContact SG-SG 3.48Å
148	N	54	Low	60.6	Low	134 Å²	134	73.9 Å²	73.9	72%	0.717	43%	0.429	S	S	*	.			trans	-115.6	124.9	175.2	-92.3	-16.7	0	0	0	110.5	A146 N150	A146-N148 PolarHBondContact O-N 3.03Å; N148-N150 PolarHBondContact O-N 3.19Å
149	N	50.6	Low	59.9	Low	148 Å²	148	79.7 Å²	79.7	79%	0.791	46%	0.456	S	S	*	.			trans	-76.7	22.9	-173.7	-93.9	-3.7	0	0	0	115.7
150	N	51.1	Low	58.6	Low	143 Å²	143	84.1 Å²	84.1	77%	0.765	48%	0.48	S	S	*	.	S	Bend	trans	-104.3	126.6	178.7	-73.7	-6	0	0	0	110.7	N148	N148-N150 PolarHBondContact O-N 3.19Å
151	S	52.7	Low	57.5	Low	116 Å²	116	82.2 Å²	82.2	81%	0.811	48%	0.483	S	S	*	.	S	Bend	trans	-56.7	144.7	179.1	46.2	0	0	0	0	112.5
152	P	50.4	Low	55.9	Low	111 Å²	111	83.6 Å²	83.6	72%	0.721	49%	0.49	S	S	*	.	S	Bend	cis	-91.3	130.3	3.9	33.6	-29.7	0	0	0	113.3
153	A	55.3	Low	54.4	Low	38 Å²	38	90.4 Å²	90.4	31%	0.314	52%	0.515	S	S	.	.			trans	-120.7	129.2	-179.6	0	0	0	0	0	111.8
154	L	54.8	Low	53.4	Low	41 Å²	41	85.3 Å²	85.3	22%	0.215	50%	0.501	C	S	.	.	S	Bend	trans	-88.6	10.8	173.5	-72.5	168.6	0	0	0	112.8	C167 N173	L154-C167 PolarHBondContact O-N 2.85Å; L154-C167 PolarHBondContact O-SG 3.18Å; L154-N173 WeakPolarHBondContact CD2-O 3.47Å
155	S	56.6	Low	52.6	Low	33 Å²	33	86.9 Å²	86.9	23%	0.231	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.6	178.3	57.7	0	0	0	0	109.4	E165	S155-E165 CarbonylContact C-O 3.52Å; S155-E165 WeakPolarHBondContact CA-O 3.29Å; S155-E165 WeakPolarHBondContact CB-O 3.24Å
156	V	57.6	Low	52.2	Low	81 Å²	81	88.3 Å²	88.3	49%	0.491	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.3	173.4	176.8	0	0	0	0	107.2	N158 C164 E165 C176	V156-N158 PolarHBondContact O-N 3.1Å; V156-C164 CarbonylContact O-C 3.59Å; V156-E165 PolarHBondContact N-O 2.8Å; V156-E165 PolarHBondContact O-N 3.46Å; V156-C176 HydrophobicContact CG2-CB 3.7Å
157	S	53.6	Low	52.3	Low	56 Å²	56	86.9 Å²	86.9	39%	0.392	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	135.7	170.7	57.1	0	0	0	0	110.1	R163	S157-R163 CarbonylContact C-O 3.49Å
158	N	51	Low	52.7	Low	17 Å²	17	87.2 Å²	87.2	9%	0.091	49%	0.493	C	S	.	.			trans	-50	160.2	164.2	178.1	24.8	0	0	0	110	V156 N160 G161 D162 R163 E165	V156-N158 PolarHBondContact O-N 3.1Å; N158-N160 PolarHBondContact O-N 3.42Å; N158-G161 PolarHBondContact O-N 3.05Å; N158-D162 PolarHBondContact ND2-OD1 3.19Å; N158-D162 VanDerWaalsContact ND2-OD1 3.15Å; N158-R163 HydrophobicContact CB-CG 3.39Å; N158-R163 VanDerWaalsContact CB-O 3.31Å; N158-R163 WeakPolarHBondContact CB-O 3.32Å; N158-R163 PolarHBondContact N-O 2.87Å; N158-R163 PolarHBondContact ND2-NE 2.92Å; N158-R163 PolarHBondContact ND2-NH2 2.95Å; N158-E165 HydrophobicContact CB-CG 4.05Å; N158-E165 WeakPolarHBondContact CB-OE1 3.47Å; N158-E165 PolarHBondContact OD1-OE1 3.31Å
159	I	52.2	Low	52.9	Low	164 Å²	164	86.7 Å²	86.7	84%	0.841	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-33	178.3	-69.9	168.4	0	0	0	112.6
160	N	44.8	Very low	53.4	Low	121 Å²	121	81.1 Å²	81.1	65%	0.647	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2	-180	-65.1	-9.9	0	0	0	114.4	N158 D162	N158-N160 PolarHBondContact O-N 3.42Å; N160-D162 HydrophobicContact CB-CB 4.4Å; N160-D162 WeakPolarHBondContact CB-OD1 3.44Å; N160-D162 PolarHBondContact O-N 2.94Å; N160-D162 VanDerWaalsContact O-N 3.16Å
161	G	48.2	Very low	54	Low	58 Å²	58	75.1 Å²	75.1	60%	0.598	44%	0.438	S	S	*	.	S	Bend	trans	69.2	7	-179.7	0	0	0	0	0	115.1	N158	N158-G161 PolarHBondContact O-N 3.05Å
162	D	42.1	Very low	54.1	Low	109 Å²	109	72 Å²	72	58%	0.583	41%	0.414	S	S	*	.	S	Bend	trans	-100.9	-19.3	-165.9	58.7	-7.7	0	0	0	114.2	N158 N160	N158-D162 PolarHBondContact ND2-OD1 3.19Å; N158-D162 VanDerWaalsContact ND2-OD1 3.15Å; N160-D162 HydrophobicContact CB-CB 4.4Å; N160-D162 WeakPolarHBondContact CB-OD1 3.44Å; N160-D162 PolarHBondContact O-N 2.94Å; N160-D162 VanDerWaalsContact O-N 3.16Å
163	R	45	Very low	54.3	Low	146 Å²	146	71.7 Å²	71.7	55%	0.551	41%	0.406	S	S	*	.	S	Bend	trans	-142.2	145.6	177.3	68.3	-172.5	-171.1	-157	-4.1	109.4	S157 N158 E165	S157-R163 CarbonylContact C-O 3.49Å; N158-R163 HydrophobicContact CB-CG 3.39Å; N158-R163 VanDerWaalsContact CB-O 3.31Å; N158-R163 WeakPolarHBondContact CB-O 3.32Å; N158-R163 PolarHBondContact N-O 2.87Å; N158-R163 PolarHBondContact ND2-NE 2.92Å; N158-R163 PolarHBondContact ND2-NH2 2.95Å; R163-E165 HydrophobicContact CG-CG 4.4Å; R163-E165 IonicContact CZ-OE1 3.53Å; R163-E165 IonicContact NE-OE1 3.31Å; R163-E165 PolarHBondContact NE-OE1 2.84Å; R163-E165 IonicContact NH2-OE1 3.47Å; R163-E165 PolarHBondContact NH2-OE1 2.57Å
164	C	53.6	Low	54.1	Low	36 Å²	36	74 Å²	74	24%	0.243	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.3	171.5	-66.9	0	0	0	0	110	I128 C147 V156	I128-C164 HydrophobicContact CG2-CB 3.52Å; C147-C164 WeakPolarHBondContact CB-SG 3.45Å; C147-C164 WeakPolarHBondContact SG-CB 3.37Å; C147-C164 CovalentContact SG-SG 2.05Å; C147-C164 PolarHBondContact SG-SG 3.48Å; V156-C164 CarbonylContact O-C 3.59Å
165	E	54.2	Low	54.4	Low	81 Å²	81	73.5 Å²	73.5	38%	0.379	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.3	178.7	-68	-179	-179.1	0	0	110.3	S155 V156 N158 R163	S155-E165 CarbonylContact C-O 3.52Å; S155-E165 WeakPolarHBondContact CA-O 3.29Å; S155-E165 WeakPolarHBondContact CB-O 3.24Å; V156-E165 PolarHBondContact N-O 2.8Å; V156-E165 PolarHBondContact O-N 3.46Å; N158-E165 HydrophobicContact CB-CG 4.05Å; N158-E165 WeakPolarHBondContact CB-OE1 3.47Å; N158-E165 PolarHBondContact OD1-OE1 3.31Å; R163-E165 HydrophobicContact CG-CG 4.4Å; R163-E165 IonicContact CZ-OE1 3.53Å; R163-E165 IonicContact NE-OE1 3.31Å; R163-E165 PolarHBondContact NE-OE1 2.84Å; R163-E165 IonicContact NH2-OE1 3.47Å; R163-E165 PolarHBondContact NH2-OE1 2.57Å
166	R	57.3	Low	54.7	Low	111 Å²	111	73 Å²	73	42%	0.419	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.7	177.6	-170.8	-176.3	177.5	103.6	15.6	110.1	R132	R132-R166 VanDerWaalsContact CD-NH2 3.28Å
167	C	59.8	Low	55.1	Low	25 Å²	25	73.7 Å²	73.7	17%	0.169	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-57.1	143.8	171.8	-19.5	0	0	0	0	110.8	L154 F171 C176	L154-C167 PolarHBondContact O-N 2.85Å; L154-C167 PolarHBondContact O-SG 3.18Å; C167-F171 HydrophobicContact CB-CB 4.17Å; C167-F171 HydrophobicContact CB-CD2 4.38Å; C167-F171 HydrophobicContact CB-CG 4.4Å; C167-C176 HydrophobicContact CB-CB 3.76Å; C167-C176 WeakPolarHBondContact CB-SG 3.4Å; C167-C176 WeakPolarHBondContact SG-CA 3.38Å; C167-C176 WeakPolarHBondContact SG-CB 3.27Å; C167-C176 PolarHBondContact SG-N 3.43Å; C167-C176 VanDerWaalsContact SG-N 3.35Å; C167-C176 CovalentContact SG-SG 2Å; C167-C176 PolarHBondContact SG-SG 3.35Å
168	T	62.4	Low	55.9	Low	63 Å²	63	71.9 Å²	71.9	39%	0.387	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-60.9	150.8	172.7	27.7	0	0	0	0	111.4	T170 F171 G187 L188	T168-T170 PolarHBondContact O-N 2.85Å; T168-F171 PolarHBondContact O-N 2.94Å; T168-F171 VanDerWaalsContact OG1-CD2 3.23Å; T168-F171 WeakPolarHBondContact OG1-CD2 3.43Å; T168-F171 WeakPolarHBondContact OG1-CE2 3.27Å; T168-G187 PolarHBondContact OG1-O 2.77Å; T168-L188 HydrophobicContact CG2-CD2 4.02Å
169	S	57.8	Low	56.7	Low	122 Å²	122	73.5 Å²	73.5	85%	0.853	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.8	-174.7	60.7	0	0	0	0	115
170	T	61	Low	57.3	Low	31 Å²	31	70.3 Å²	70.3	19%	0.19	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.1	176.4	50.2	0	0	0	0	112.5	T168 L188 C189	T168-T170 PolarHBondContact O-N 2.85Å; T170-L188 HydrophobicContact CG2-CB 4.43Å; T170-L188 HydrophobicContact CG2-CD2 3.98Å; T170-L188 WeakPolarHBondContact OG1-CA 3.31Å; T170-L188 WeakPolarHBondContact OG1-CD2 3.41Å; T170-C189 WeakPolarHBondContact CB-O 3.26Å; T170-C189 WeakPolarHBondContact O-CB 3.25Å; T170-C189 PolarHBondContact OG1-N 3.37Å
171	F	63.4	Low	58.4	Low	18 Å²	18	69.3 Å²	69.3	8%	0.079	41%	0.414	C	S	.	.	S	Bend	trans	-80.5	149	173.9	-69.3	-93.1	0	0	0	111.6	C167 T168 C178 Q184 G187 C189	C167-F171 HydrophobicContact CB-CB 4.17Å; C167-F171 HydrophobicContact CB-CD2 4.38Å; C167-F171 HydrophobicContact CB-CG 4.4Å; T168-F171 PolarHBondContact O-N 2.94Å; T168-F171 VanDerWaalsContact OG1-CD2 3.23Å; T168-F171 WeakPolarHBondContact OG1-CD2 3.43Å; T168-F171 WeakPolarHBondContact OG1-CE2 3.27Å; F171-C178 HydrophobicContact CD1-CB 4.16Å; F171-C178 HydrophobicContact CE1-CB 3.91Å; F171-Q184 HydrophobicContact CE1-CG 4.01Å; F171-Q184 HydrophobicContact CZ-CG 3.86Å; F171-G187 WeakPolarHBondContact CE2-O 3.4Å; F171-C189 HydrophobicContact CD1-CB 3.73Å; F171-C189 HydrophobicContact CD2-CB 4.25Å; F171-C189 HydrophobicContact CE1-CB 3.86Å; F171-C189 HydrophobicContact CE2-CB 4.35Å; F171-C189 HydrophobicContact CG-CB 3.95Å; F171-C189 HydrophobicContact CZ-CB 4.16Å
172	T	56.5	Low	59.7	Low	50 Å²	50	69 Å²	69	31%	0.307	40%	0.399	S	S	.	.			trans	-61.6	145.5	179.1	40.1	0	0	0	0	112.1	T174 S175 P179	T172-T174 PolarHBondContact O-N 3.26Å; T172-S175 PolarHBondContact O-N 3.44Å; T172-P179 HydrophobicContact CG2-CG 3.59Å; T172-P179 WeakPolarHBondContact OG1-CD 3.33Å
173	N	53.4	Low	61.3	Low	104 Å²	104	66.3 Å²	66.3	56%	0.556	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-8.3	-172.6	-72.6	0.9	0	0	0	116.6	N135 L154	N135-N173 PolarHBondContact O-ND2 2.98Å; L154-N173 WeakPolarHBondContact CD2-O 3.47Å
174	T	51.8	Low	62.7	Low	86 Å²	86	64.2 Å²	64.2	53%	0.528	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-14.4	-170.9	53.3	0	0	0	0	115.1	T172	T172-T174 PolarHBondContact O-N 3.26Å
175	S	60.8	Low	63.5	Low	31 Å²	31	65.9 Å²	65.9	22%	0.217	39%	0.387	C	S	.	.			trans	-167.8	157.3	177	63.8	0	0	0	0	113	T172 V177	T172-S175 PolarHBondContact O-N 3.44Å; S175-V177 PolarHBondContact O-N 3.25Å; S175-V177 PolarHBondContact OG-N 2.87Å
176	C	62.1	Low	64.1	Low	24 Å²	24	64 Å²	64	16%	0.162	39%	0.389	C	S	.	.	S	Bend	trans	-74.4	22.5	169	-55.1	0	0	0	0	113.3	V156 C167	V156-C176 HydrophobicContact CG2-CB 3.7Å; C167-C176 HydrophobicContact CB-CB 3.76Å; C167-C176 WeakPolarHBondContact CB-SG 3.4Å; C167-C176 WeakPolarHBondContact SG-CA 3.38Å; C167-C176 WeakPolarHBondContact SG-CB 3.27Å; C167-C176 PolarHBondContact SG-N 3.43Å; C167-C176 VanDerWaalsContact SG-N 3.35Å; C167-C176 CovalentContact SG-SG 2Å; C167-C176 PolarHBondContact SG-SG 3.35Å
177	V	65.5	Low	64.7	Low	95 Å²	95	61 Å²	61	58%	0.576	39%	0.392	S	S	*	.	S	Bend	trans	-107.7	123.3	-180	-178.6	0	0	0	0	107	S175 P179	S175-V177 PolarHBondContact O-N 3.25Å; S175-V177 PolarHBondContact OG-N 2.87Å; V177-P179 WeakPolarHBondContact O-CD 3.33Å
178	C	70.4	Confident	65.3	Low	18 Å²	18	61.9 Å²	61.9	12%	0.122	40%	0.396	C	S	.	.			trans	-73.3	110.7	176.4	-168.2	0	0	0	0	109.1	F171 N182 V183 Q184 C189	F171-C178 HydrophobicContact CD1-CB 4.16Å; F171-C178 HydrophobicContact CE1-CB 3.91Å; C178-N182 VanDerWaalsContact SG-C 3.57Å; C178-N182 WeakPolarHBondContact SG-CB 3.49Å; C178-V183 VanDerWaalsContact SG-C 3.57Å; C178-Q184 HydrophobicContact CB-CB 3.64Å; C178-Q184 HydrophobicContact CB-CG 4.36Å; C178-C189 WeakPolarHBondContact CA-SG 3.22Å; C178-C189 HydrophobicContact CB-CB 3.77Å; C178-C189 WeakPolarHBondContact CB-SG 3.48Å; C178-C189 WeakPolarHBondContact SG-CB 3.24Å; C178-C189 CovalentContact SG-SG 2.04Å; C178-C189 PolarHBondContact SG-SG 2.89Å
179	P	68.8	Low	65.9	Low	51 Å²	51	59 Å²	59	33%	0.331	38%	0.378	S	S	.	.			trans	-75.9	135.6	-174.1	29.3	-30.9	0	0	0	110.4	T172 V177 N182	T172-P179 HydrophobicContact CG2-CG 3.59Å; T172-P179 WeakPolarHBondContact OG1-CD 3.33Å; V177-P179 WeakPolarHBondContact O-CD 3.33Å; P179-N182 VanDerWaalsContact O-CB 3.28Å; P179-N182 WeakPolarHBondContact O-CB 3.44Å; P179-N182 PolarHBondContact O-N 3.4Å
180	A	64.9	Low	66.9	Low	97 Å²	97	53.2 Å²	53.2	80%	0.802	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	132.9	171.4	0	0	0	0	0	109.6
181	P	68.1	Low	67.6	Low	100 Å²	100	54.8 Å²	54.8	65%	0.649	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94	3.3	19.7	37.2	-36.1	0	0	0	115.4	S192	P181-S192 WeakPolarHBondContact CB-OG 3.23Å; P181-S192 VanDerWaalsContact CG-OG 3.3Å; P181-S192 WeakPolarHBondContact CG-OG 3.37Å; P181-S192 WeakPolarHBondContact O-CB 3.42Å; P181-S192 PolarHBondContact O-OG 3.42Å
182	N	75.3	Confident	67.8	Low	51 Å²	51	56 Å²	56	27%	0.273	36%	0.359	S	S	.	.	S	Bend	trans	-63.9	151.5	-178.5	-62.3	-20.8	0	0	0	111.5	C178 P179 F190 P191 S192	C178-N182 VanDerWaalsContact SG-C 3.57Å; C178-N182 WeakPolarHBondContact SG-CB 3.49Å; P179-N182 VanDerWaalsContact O-CB 3.28Å; P179-N182 WeakPolarHBondContact O-CB 3.44Å; P179-N182 PolarHBondContact O-N 3.4Å; N182-F190 CarbonylContact C-O 3.58Å; N182-F190 WeakPolarHBondContact CA-O 3.46Å; N182-F190 VanDerWaalsContact CB-O 3.31Å; N182-F190 WeakPolarHBondContact CB-O 3.37Å; N182-P191 WeakPolarHBondContact OD1-CA 3.39Å; N182-S192 PolarHBondContact N-OG 3.09Å
183	V	75	Confident	68.3	Low	53 Å²	53	64.6 Å²	64.6	32%	0.321	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.9	-174.5	-176.8	0	0	0	0	109.2	C178 E185 F190	C178-V183 VanDerWaalsContact SG-C 3.57Å; V183-E185 HydrophobicContact CG1-CG 3.86Å; V183-F190 PolarHBondContact N-O 2.88Å; V183-F190 PolarHBondContact O-N 3.29Å
184	Q	73.8	Confident	69.3	Low	102 Å²	102	61.6 Å²	61.6	48%	0.477	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.2	176.3	-176.3	171.3	-14	0	0	110	F171 C178 L188	F171-Q184 HydrophobicContact CE1-CG 4.01Å; F171-Q184 HydrophobicContact CZ-CG 3.86Å; C178-Q184 HydrophobicContact CB-CB 3.64Å; C178-Q184 HydrophobicContact CB-CG 4.36Å; Q184-L188 CarbonylContact C-O 3.53Å; Q184-L188 WeakPolarHBondContact CA-O 3.3Å
185	E	71.8	Confident	70.3	Confident	70 Å²	70	58.8 Å²	58.8	33%	0.327	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.3	-179.9	-73.9	-67	176.2	0	0	110.3	V183 G187 L188 Y222	V183-E185 HydrophobicContact CG1-CG 3.86Å; E185-G187 PolarHBondContact O-N 3.11Å; E185-L188 PolarHBondContact N-O 2.79Å; E185-L188 PolarHBondContact O-N 3.25Å; E185-L188 VanDerWaalsContact O-O 3.1Å; E185-Y222 HydrophobicContact CB-CD1 3.63Å; E185-Y222 HydrophobicContact CB-CE1 4.37Å; E185-Y222 HydrophobicContact CB-CG 4.19Å; E185-Y222 HydrophobicContact CG-CD1 3.7Å; E185-Y222 HydrophobicContact CG-CE1 4.28Å; E185-Y222 HydrophobicContact CG-CG 3.96Å
186	G	66.6	Low	70.5	Confident	42 Å²	42	63.1 Å²	63.1	43%	0.433	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	32.5	179.2	0	0	0	0	0	114.7	L188 E219	G186-L188 VanDerWaalsContact C-N 3.28Å; G186-L188 PolarHBondContact O-N 3.05Å; G186-E219 WeakPolarHBondContact CA-O 3.39Å
187	G	68.6	Low	71	Confident	47 Å²	47	65.3 Å²	65.3	49%	0.485	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	17.3	-177.8	0	0	0	0	0	114.8	T168 F171 E185	T168-G187 PolarHBondContact OG1-O 2.77Å; F171-G187 WeakPolarHBondContact CE2-O 3.4Å; E185-G187 PolarHBondContact O-N 3.11Å
188	L	73.5	Confident	71.7	Confident	45 Å²	45	67.5 Å²	67.5	24%	0.236	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.8	175	-62	172.9	0	0	0	110.3	T168 T170 Q184 E185 G186 F190	T168-L188 HydrophobicContact CG2-CD2 4.02Å; T170-L188 HydrophobicContact CG2-CB 4.43Å; T170-L188 HydrophobicContact CG2-CD2 3.98Å; T170-L188 WeakPolarHBondContact OG1-CA 3.31Å; T170-L188 WeakPolarHBondContact OG1-CD2 3.41Å; Q184-L188 CarbonylContact C-O 3.53Å; Q184-L188 WeakPolarHBondContact CA-O 3.3Å; E185-L188 PolarHBondContact N-O 2.79Å; E185-L188 PolarHBondContact O-N 3.25Å; E185-L188 VanDerWaalsContact O-O 3.1Å; G186-L188 VanDerWaalsContact C-N 3.28Å; G186-L188 PolarHBondContact O-N 3.05Å; L188-F190 HydrophobicContact CB-CD2 4.35Å; L188-F190 HydrophobicContact CB-CE2 3.59Å; L188-F190 HydrophobicContact CB-CZ 3.7Å; L188-F190 HydrophobicContact CD1-CE2 4.38Å; L188-F190 HydrophobicContact CD1-CZ 3.76Å; L188-F190 HydrophobicContact CG-CZ 4.4Å
189	C	75.2	Confident	72.4	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.02	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.6	177.6	179.9	0	0	0	0	110.6	T170 F171 C178	T170-C189 WeakPolarHBondContact CB-O 3.26Å; T170-C189 WeakPolarHBondContact O-CB 3.25Å; T170-C189 PolarHBondContact OG1-N 3.37Å; F171-C189 HydrophobicContact CD1-CB 3.73Å; F171-C189 HydrophobicContact CD2-CB 4.25Å; F171-C189 HydrophobicContact CE1-CB 3.86Å; F171-C189 HydrophobicContact CE2-CB 4.35Å; F171-C189 HydrophobicContact CG-CB 3.95Å; F171-C189 HydrophobicContact CZ-CB 4.16Å; C178-C189 WeakPolarHBondContact CA-SG 3.22Å; C178-C189 HydrophobicContact CB-CB 3.77Å; C178-C189 WeakPolarHBondContact CB-SG 3.48Å; C178-C189 WeakPolarHBondContact SG-CB 3.24Å; C178-C189 CovalentContact SG-SG 2.04Å; C178-C189 PolarHBondContact SG-SG 2.89Å
190	F	78.3	Confident	73.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.6	-174	-66.2	-76.6	0	0	0	111.3	N182 V183 L188 I194 Y222 A226 A227 Y231	N182-F190 CarbonylContact C-O 3.58Å; N182-F190 WeakPolarHBondContact CA-O 3.46Å; N182-F190 VanDerWaalsContact CB-O 3.31Å; N182-F190 WeakPolarHBondContact CB-O 3.37Å; V183-F190 PolarHBondContact N-O 2.88Å; V183-F190 PolarHBondContact O-N 3.29Å; L188-F190 HydrophobicContact CB-CD2 4.35Å; L188-F190 HydrophobicContact CB-CE2 3.59Å; L188-F190 HydrophobicContact CB-CZ 3.7Å; L188-F190 HydrophobicContact CD1-CE2 4.38Å; L188-F190 HydrophobicContact CD1-CZ 3.76Å; L188-F190 HydrophobicContact CG-CZ 4.4Å; F190-I194 HydrophobicContact CB-CD1 3.88Å; F190-I194 HydrophobicContact CD1-CD1 4.12Å; F190-I194 HydrophobicContact CG-CD1 4.44Å; F190-Y222 HydrophobicContact CB-CE1 4.2Å; F190-Y222 HydrophobicContact CD2-CD1 4.14Å; F190-Y222 AromaticContact CD2-CE1 3.81Å; F190-Y222 HydrophobicContact CD2-CE1 3.81Å; F190-Y222 HydrophobicContact CE2-CD1 4.41Å; F190-Y222 HydrophobicContact CE2-CE1 4.49Å; F190-Y222 HydrophobicContact CG-CE1 4.17Å; F190-A226 HydrophobicContact CD1-CB 3.66Å; F190-A226 HydrophobicContact CD2-CB 4.38Å; F190-A226 HydrophobicContact CE1-CB 3.58Å; F190-A226 HydrophobicContact CE2-CB 4.32Å; F190-A226 HydrophobicContact CG-CB 4.06Å; F190-A226 HydrophobicContact CZ-CB 3.93Å; F190-A227 HydrophobicContact CE1-CB 4.47Å; F190-A227 HydrophobicContact CZ-CB 4.46Å; F190-Y231 HydrophobicContact CD1-CE2 4.48Å; F190-Y231 HydrophobicContact CE1-CE2 4.2Å
191	P	76.7	Confident	74.7	Confident	63 Å²	63	65 Å²	65	41%	0.409	37%	0.374	S	S	.	.			trans	-51.7	139	167.6	-27.3	32	0	0	0	112.8	N182 I194	N182-P191 WeakPolarHBondContact OD1-CA 3.39Å; P191-I194 HydrophobicContact CB-CD1 4.14Å; P191-I194 HydrophobicContact CB-CG1 4.41Å; P191-I194 HydrophobicContact CG-CD1 4.15Å
192	S	66.3	Low	75.8	Confident	43 Å²	43	61.1 Å²	61.1	30%	0.301	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140.5	176.4	-24.8	0	0	0	0	111.2	P181 N182	P181-S192 WeakPolarHBondContact CB-OG 3.23Å; P181-S192 VanDerWaalsContact CG-OG 3.3Å; P181-S192 WeakPolarHBondContact CG-OG 3.37Å; P181-S192 WeakPolarHBondContact O-CB 3.42Å; P181-S192 PolarHBondContact O-OG 3.42Å; N182-S192 PolarHBondContact N-OG 3.09Å
193	R	67.4	Low	76.6	Confident	232 Å²	232	58.7 Å²	58.7	88%	0.875	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	21.1	179	-49.2	-178.3	-170.7	-160.9	1.6	117.3	L195	R193-L195 PolarHBondContact O-N 2.86Å
194	I	73.5	Confident	77.3	Confident	40 Å²	40	58.9 Å²	58.9	21%	0.205	34%	0.336	C	S	.	.	S	Bend	trans	-58.7	-41	168.1	-74.7	164.1	0	0	0	111.1	F190 P191 A226 L229	F190-I194 HydrophobicContact CB-CD1 3.88Å; F190-I194 HydrophobicContact CD1-CD1 4.12Å; F190-I194 HydrophobicContact CG-CD1 4.44Å; P191-I194 HydrophobicContact CB-CD1 4.14Å; P191-I194 HydrophobicContact CB-CG1 4.41Å; P191-I194 HydrophobicContact CG-CD1 4.15Å; I194-A226 HydrophobicContact CG2-CB 4.12Å; I194-L229 HydrophobicContact CG2-CD2 4.39Å
195	L	74.1	Confident	78.2	Confident	27 Å²	27	54 Å²	54	14%	0.141	31%	0.313	C	S	.	.	S	Bend	trans	-102.2	134.3	171.4	-73.7	129.9	0	0	0	109.6	R193 T197 Y222 T225 A226 L261	R193-L195 PolarHBondContact O-N 2.86Å; L195-T197 VanDerWaalsContact C-N 3.27Å; L195-Y222 HydrophobicContact CD1-CD2 3.84Å; L195-Y222 HydrophobicContact CD1-CE1 4.43Å; L195-Y222 HydrophobicContact CD1-CE2 3.57Å; L195-Y222 HydrophobicContact CD1-CG 4.36Å; L195-T225 HydrophobicContact CD2-CG2 3.88Å; L195-A226 HydrophobicContact CD1-CB 4.38Å; L195-L261 HydrophobicContact CD2-CD2 3.59Å
196	S	65.2	Low	78.9	Confident	122 Å²	122	52 Å²	52	85%	0.853	31%	0.308	S	S	*	.	S	Bend	trans	-73.4	-20.3	178.1	51.2	0	0	0	0	113
197	T	72.3	Confident	79.9	Confident	71 Å²	71	53.8 Å²	53.8	44%	0.436	31%	0.305	S	S	.	.	S	Bend	trans	-139.2	149.5	-179	43.4	0	0	0	0	110.7	L195 T256	L195-T197 VanDerWaalsContact C-N 3.27Å; T197-T256 HydrophobicContact CG2-CG2 4.46Å; T197-T256 WeakPolarHBondContact OG1-CG2 3.5Å
198	N	80.8	Confident	80.9	Confident	141 Å²	141	54.2 Å²	54.2	75%	0.754	30%	0.296	S	S	*	.			trans	-67.2	134.1	176.2	-72.8	-20.7	0	0	0	110.2	T256	N198-T256 PolarHBondContact O-OG1 3.18Å
199	P	85.4	Confident	81.6	Confident	24 Å²	24	61.1 Å²	61.1	16%	0.156	32%	0.324	C	S	.	.			trans	-58.2	143.5	173.6	-23.1	33.7	0	0	0	111	P201 L221 Y222 T256 L261	P199-P201 VanDerWaalsContact O-CD 3.27Å; P199-P201 WeakPolarHBondContact O-CD 3.23Å; P199-L221 HydrophobicContact CB-CD2 3.81Å; P199-L221 HydrophobicContact CB-CG 4.09Å; P199-Y222 HydrophobicContact CG-CD2 3.64Å; P199-Y222 HydrophobicContact CG-CG 4.31Å; P199-T256 WeakPolarHBondContact CA-O 3.3Å; P199-L261 HydrophobicContact CB-CD1 3.84Å; P199-L261 HydrophobicContact CG-CD1 4.22Å
200	N	89.9	Confident	82.4	Confident	66 Å²	66	64 Å²	64	35%	0.353	34%	0.336	S	S	.	.			trans	-94	105.7	168.1	-177.5	6.4	0	0	0	109	S202 T256	N200-S202 PolarHBondContact O-N 3.03Å; N200-S202 VanDerWaalsContact O-N 3.12Å; N200-S202 WeakPolarHBondContact OD1-CB 3.47Å; N200-S202 PolarHBondContact OD1-N 3.26Å; N200-S202 VanDerWaalsContact OD1-N 3.14Å; N200-S202 PolarHBondContact OD1-OG 2.98Å; N200-T256 PolarHBondContact N-O 3.1Å
201	P	91.3	Very high	83	Confident	23 Å²	23	67.4 Å²	67.4	15%	0.149	36%	0.36	C	S	.	.			trans	-80.3	17.3	-179.8	35.7	-37.4	0	0	0	113	P199 S214 F217 V218	P199-P201 VanDerWaalsContact O-CD 3.27Å; P199-P201 WeakPolarHBondContact O-CD 3.23Å; P201-S214 PolarHBondContact O-N 2.91Å; P201-F217 HydrophobicContact CB-CB 3.75Å; P201-F217 WeakPolarHBondContact O-CB 3.4Å; P201-V218 HydrophobicContact CB-CB 4.4Å; P201-V218 HydrophobicContact CB-CG2 3.71Å; P201-V218 HydrophobicContact CG-CG2 3.7Å
202	S	91.1	Very high	83.7	Confident	18 Å²	18	64.5 Å²	64.5	13%	0.126	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.1	-178.7	-48.7	0	0	0	0	111.1	N200 I212	N200-S202 PolarHBondContact O-N 3.03Å; N200-S202 VanDerWaalsContact O-N 3.12Å; N200-S202 WeakPolarHBondContact OD1-CB 3.47Å; N200-S202 PolarHBondContact OD1-N 3.26Å; N200-S202 VanDerWaalsContact OD1-N 3.14Å; N200-S202 PolarHBondContact OD1-OG 2.98Å; S202-I212 CarbonylContact C-O 3.59Å; S202-I212 VanDerWaalsContact CA-O 3.25Å; S202-I212 WeakPolarHBondContact CA-O 3.32Å
203	V	91.9	Very high	85	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.3	171.9	-179.5	0	0	0	0	108.8	Y205 S211 I212 F217	V203-Y205 HydrophobicContact CB-CE2 4.21Å; V203-Y205 HydrophobicContact CG1-CE2 4.09Å; V203-S211 VanDerWaalsContact O-CA 3.26Å; V203-S211 WeakPolarHBondContact O-CA 3.35Å; V203-S211 WeakPolarHBondContact O-CB 3.31Å; V203-I212 PolarHBondContact N-O 2.97Å; V203-I212 PolarHBondContact O-N 3.29Å; V203-F217 HydrophobicContact CG2-CD1 4.06Å; V203-F217 HydrophobicContact CG2-CD2 3.84Å; V203-F217 HydrophobicContact CG2-CE1 3.78Å; V203-F217 HydrophobicContact CG2-CE2 3.54Å; V203-F217 HydrophobicContact CG2-CG 4.11Å; V203-F217 HydrophobicContact CG2-CZ 3.52Å
204	N	90.6	Very high	86.3	Confident	58 Å²	58	57.3 Å²	57.3	31%	0.31	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.2	-178	-171.5	19.5	0	0	0	111.3	N247 Q411 R452	N204-N247 PolarHBondContact N-OD1 3.27Å; N204-Q411 PolarHBondContact ND2-OE1 3.06Å; N204-R452 PolarHBondContact O-NH2 3.21Å
205	Y	91.6	Very high	87.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	78.1	172.3	-63.4	-83.9	0	0	0	109	V203 Q207 L208 K209 F210 I212 S438 G439 V450 R452 D483	V203-Y205 HydrophobicContact CB-CE2 4.21Å; V203-Y205 HydrophobicContact CG1-CE2 4.09Å; Y205-Q207 PolarHBondContact O-N 3.38Å; Y205-L208 CarbonylContact O-C 3.56Å; Y205-L208 PolarHBondContact O-N 3.42Å; Y205-K209 PolarHBondContact O-N 2.99Å; Y205-F210 WeakPolarHBondContact CA-O 3.32Å; Y205-F210 WeakPolarHBondContact CB-O 3.35Å; Y205-F210 HydrophobicContact CD2-CE2 4.41Å; Y205-F210 PolarHBondContact N-O 3.03Å; Y205-I212 HydrophobicContact CD2-CB 4.46Å; Y205-I212 HydrophobicContact CD2-CD1 3.91Å; Y205-I212 HydrophobicContact CD2-CG1 3.96Å; Y205-I212 HydrophobicContact CE2-CB 3.96Å; Y205-I212 HydrophobicContact CE2-CD1 3.49Å; Y205-I212 VanDerWaalsContact CE2-CD1 3.49Å; Y205-I212 HydrophobicContact CE2-CG1 3.77Å; Y205-S438 VanDerWaalsContact OH-C 3.29Å; Y205-G439 VanDerWaalsContact OH-CA 3.25Å; Y205-G439 WeakPolarHBondContact OH-CA 2.93Å; Y205-G439 PolarHBondContact OH-N 3.28Å; Y205-G439 VanDerWaalsContact OH-N 3.1Å; Y205-V450 HydrophobicContact CD1-CB 4.35Å; Y205-V450 HydrophobicContact CD1-CG1 3.53Å; Y205-V450 HydrophobicContact CE1-CB 4.06Å; Y205-V450 HydrophobicContact CE1-CG1 3.51Å; Y205-V450 HydrophobicContact CE2-CB 4.5Å; Y205-V450 HydrophobicContact CG-CG1 4.14Å; Y205-R452 VanDerWaalsContact CD1-NH2 3.27Å; Y205-D483 VanDerWaalsContact CA-OD2 3.31Å; Y205-D483 WeakPolarHBondContact CA-OD2 3.44Å; Y205-D483 HydrophobicContact CD1-CB 4.08Å
206	A	86.3	Confident	88.2	Confident	27 Å²	27	55 Å²	55	22%	0.223	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.9	-170.3	0	0	0	0	0	113.6	L208 K209 F416	A206-L208 VanDerWaalsContact C-N 3.32Å; A206-K209 PolarHBondContact O-N 2.96Å; A206-F416 HydrophobicContact CB-CE1 4.45Å; A206-F416 HydrophobicContact CB-CZ 4.14Å
207	Q	87.7	Confident	89.5	Confident	79 Å²	79	49.3 Å²	49.3	37%	0.369	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-37.1	178.7	-63	177.6	25.7	0	0	111.5	Y205 N409 Y481 D483	Y205-Q207 PolarHBondContact O-N 3.38Å; Q207-N409 PolarHBondContact NE2-ND2 2.7Å; Q207-Y481 PolarHBondContact NE2-O 3.02Å; Q207-D483 HydrophobicContact CB-CB 4.22Å
208	L	89.9	Confident	90.4	Very high	56 Å²	56	49.4 Å²	49.4	29%	0.293	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.1	178.8	-55.3	176.5	0	0	0	113	Y205 A206 F210 V450 D483 L485	Y205-L208 CarbonylContact O-C 3.56Å; Y205-L208 PolarHBondContact O-N 3.42Å; A206-L208 VanDerWaalsContact C-N 3.32Å; L208-F210 VanDerWaalsContact C-N 3.27Å; L208-F210 HydrophobicContact CB-CD1 3.55Å; L208-F210 HydrophobicContact CB-CE1 3.31Å; L208-F210 HydrophobicContact CB-CZ 4.14Å; L208-F210 HydrophobicContact CD1-CE1 3.65Å; L208-F210 HydrophobicContact CD1-CZ 3.73Å; L208-F210 HydrophobicContact CG-CE1 4.08Å; L208-F210 WeakPolarHBondContact O-CD1 3.3Å; L208-F210 PolarHBondContact O-N 3Å; L208-V450 HydrophobicContact CD1-CG1 3.84Å; L208-V450 HydrophobicContact CD1-CG2 3.95Å; L208-D483 HydrophobicContact CD1-CB 3.89Å; L208-D483 HydrophobicContact CG-CB 3.87Å; L208-L485 HydrophobicContact CD1-CB 4.23Å
209	K	89.2	Confident	90.8	Very high	190 Å²	190	46.9 Å²	46.9	83%	0.826	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	32.2	179.4	-55.6	-179.9	-179.7	177.6	0	114.2	Y205 A206	Y205-K209 PolarHBondContact O-N 2.99Å; A206-K209 PolarHBondContact O-N 2.96Å
210	F	90.5	Very high	91.1	Very high	63 Å²	63	47.4 Å²	47.4	28%	0.276	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.1	170.9	68.8	-99	0	0	0	111.6	Y205 L208 I212 V450 L485	Y205-F210 WeakPolarHBondContact CA-O 3.32Å; Y205-F210 WeakPolarHBondContact CB-O 3.35Å; Y205-F210 HydrophobicContact CD2-CE2 4.41Å; Y205-F210 PolarHBondContact N-O 3.03Å; L208-F210 VanDerWaalsContact C-N 3.27Å; L208-F210 HydrophobicContact CB-CD1 3.55Å; L208-F210 HydrophobicContact CB-CE1 3.31Å; L208-F210 HydrophobicContact CB-CZ 4.14Å; L208-F210 HydrophobicContact CD1-CE1 3.65Å; L208-F210 HydrophobicContact CD1-CZ 3.73Å; L208-F210 HydrophobicContact CG-CE1 4.08Å; L208-F210 WeakPolarHBondContact O-CD1 3.3Å; L208-F210 PolarHBondContact O-N 3Å; F210-I212 HydrophobicContact CD2-CD1 4.48Å; F210-I212 HydrophobicContact CD2-CG1 3.87Å; F210-I212 HydrophobicContact CE2-CD1 3.63Å; F210-I212 HydrophobicContact CE2-CG1 3.51Å; F210-I212 HydrophobicContact CZ-CD1 4.5Å; F210-V450 HydrophobicContact CE2-CG2 3.88Å; F210-V450 HydrophobicContact CZ-CG2 3.49Å; F210-V450 VanDerWaalsContact CZ-CG2 3.49Å; F210-L485 HydrophobicContact CZ-CD1 4.16Å
211	S	91.2	Very high	91.1	Very high	73 Å²	73	44.3 Å²	44.3	51%	0.51	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.7	173.6	57.7	0	0	0	0	110.4	V203	V203-S211 VanDerWaalsContact O-CA 3.26Å; V203-S211 WeakPolarHBondContact O-CA 3.35Å; V203-S211 WeakPolarHBondContact O-CB 3.31Å
212	I	92.4	Very high	91	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.3	178.3	-59.6	175.1	0	0	0	108.6	S202 V203 Y205 F210 S214 E441 K449 V450	S202-I212 CarbonylContact C-O 3.59Å; S202-I212 VanDerWaalsContact CA-O 3.25Å; S202-I212 WeakPolarHBondContact CA-O 3.32Å; V203-I212 PolarHBondContact N-O 2.97Å; V203-I212 PolarHBondContact O-N 3.29Å; Y205-I212 HydrophobicContact CD2-CB 4.46Å; Y205-I212 HydrophobicContact CD2-CD1 3.91Å; Y205-I212 HydrophobicContact CD2-CG1 3.96Å; Y205-I212 HydrophobicContact CE2-CB 3.96Å; Y205-I212 HydrophobicContact CE2-CD1 3.49Å; Y205-I212 VanDerWaalsContact CE2-CD1 3.49Å; Y205-I212 HydrophobicContact CE2-CG1 3.77Å; F210-I212 HydrophobicContact CD2-CD1 4.48Å; F210-I212 HydrophobicContact CD2-CG1 3.87Å; F210-I212 HydrophobicContact CE2-CD1 3.63Å; F210-I212 HydrophobicContact CE2-CG1 3.51Å; F210-I212 HydrophobicContact CZ-CD1 4.5Å; I212-S214 PolarHBondContact O-N 3.19Å; I212-S214 VanDerWaalsContact O-N 3.17Å; I212-E441 HydrophobicContact CG2-CG 3.34Å; I212-K449 HydrophobicContact CD1-CB 4.38Å; I212-K449 HydrophobicContact CD1-CD 4.39Å; I212-V450 HydrophobicContact CD1-CB 4Å; I212-V450 HydrophobicContact CD1-CG2 3.62Å
213	Q	93.2	Very high	90.9	Very high	124 Å²	124	44 Å²	44	58%	0.579	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	102	165.8	-71.6	-171.1	-16.3	0	0	109.2
214	S	94.6	Very high	90.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.			trans	-72.3	128.7	-177.2	177.6	0	0	0	0	110.5	P201 I212 W216 F217 V218 S438	P201-S214 PolarHBondContact O-N 2.91Å; I212-S214 PolarHBondContact O-N 3.19Å; I212-S214 VanDerWaalsContact O-N 3.17Å; S214-W216 PolarHBondContact O-N 3.49Å; S214-W216 PolarHBondContact OG-N 3.32Å; S214-F217 PolarHBondContact O-N 3.02Å; S214-F217 VanDerWaalsContact O-N 3.12Å; S214-V218 WeakPolarHBondContact O-CG2 3.44Å; S214-V218 PolarHBondContact O-N 3.17Å; S214-S438 WeakPolarHBondContact CB-O 3.35Å; S214-S438 WeakPolarHBondContact OG-CA 3.39Å; S214-S438 PolarHBondContact OG-O 3.24Å; S214-S438 VanDerWaalsContact OG-O 3.08Å
215	A	93.2	Very high	90.8	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-55.9	-39.8	174.2	0	0	0	0	0	111.5	F217 V218 E219 R440 S443 I444	A215-F217 PolarHBondContact O-N 3.2Å; A215-V218 PolarHBondContact O-N 2.92Å; A215-E219 WeakPolarHBondContact O-CG 3.48Å; A215-E219 PolarHBondContact O-N 3.48Å; A215-E219 VanDerWaalsContact O-N 3.14Å; A215-R440 PolarHBondContact N-O 3.34Å; A215-S443 VanDerWaalsContact CB-C 3.44Å; A215-I444 HydrophobicContact CB-CG1 4.3Å
216	W	93.4	Very high	90.6	Very high	13 Å²	13	41.9 Å²	41.9	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-44.5	176.3	176.3	-110.9	0	0	0	112.7	S214 E219 N220 M243 V330 R331 L437 I444	S214-W216 PolarHBondContact O-N 3.49Å; S214-W216 PolarHBondContact OG-N 3.32Å; W216-E219 PolarHBondContact O-N 3.49Å; W216-N220 HydrophobicContact CH2-CB 4.49Å; W216-N220 HydrophobicContact CZ2-CB 4.28Å; W216-N220 VanDerWaalsContact CZ3-ND2 3.27Å; W216-N220 WeakPolarHBondContact CZ3-ND2 3.28Å; W216-N220 WeakPolarHBondContact O-CB 3.38Å; W216-N220 PolarHBondContact O-N 2.83Å; W216-N220 VanDerWaalsContact O-N 3.07Å; W216-N220 PolarHBondContact O-ND2 3.22Å; W216-M243 HydrophobicContact CZ2-CE 4.21Å; W216-V330 HydrophobicContact CD2-CG2 4.43Å; W216-V330 HydrophobicContact CH2-CG1 4Å; W216-V330 HydrophobicContact CZ2-CB 4.33Å; W216-V330 HydrophobicContact CZ2-CG1 3.88Å; W216-V330 HydrophobicContact CZ2-CG2 3.73Å; W216-R331 HydrophobicContact CH2-CG 3.85Å; W216-R331 HydrophobicContact CZ2-CG 4.44Å; W216-L437 HydrophobicContact CB-CD2 3.96Å; W216-L437 HydrophobicContact CB-CG 3.94Å; W216-L437 HydrophobicContact CD2-CD2 3.67Å; W216-L437 HydrophobicContact CE3-CD2 4.05Å; W216-L437 HydrophobicContact CG-CD2 3.59Å; W216-L437 HydrophobicContact CG-CG 4.14Å; W216-I444 HydrophobicContact CE3-CD1 3.89Å; W216-I444 HydrophobicContact CZ3-CD1 4.37Å
217	F	93.8	Very high	90.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-71.6	-37.9	-179	-76.8	43	0	0	0	111	P201 V203 S214 A215 E219 N220 L221 M243 L246 A258	P201-F217 HydrophobicContact CB-CB 3.75Å; P201-F217 WeakPolarHBondContact O-CB 3.4Å; V203-F217 HydrophobicContact CG2-CD1 4.06Å; V203-F217 HydrophobicContact CG2-CD2 3.84Å; V203-F217 HydrophobicContact CG2-CE1 3.78Å; V203-F217 HydrophobicContact CG2-CE2 3.54Å; V203-F217 HydrophobicContact CG2-CG 4.11Å; V203-F217 HydrophobicContact CG2-CZ 3.52Å; S214-F217 PolarHBondContact O-N 3.02Å; S214-F217 VanDerWaalsContact O-N 3.12Å; A215-F217 PolarHBondContact O-N 3.2Å; F217-E219 VanDerWaalsContact C-N 3.3Å; F217-E219 PolarHBondContact O-N 3.44Å; F217-N220 PolarHBondContact O-N 3.47Å; F217-L221 HydrophobicContact CB-CB 4.44Å; F217-L221 HydrophobicContact CD2-CD2 4.35Å; F217-L221 WeakPolarHBondContact O-CB 3.24Å; F217-L221 PolarHBondContact O-N 3.46Å; F217-M243 HydrophobicContact CD1-CG 4.46Å; F217-M243 HydrophobicContact CE1-CB 4.23Å; F217-M243 HydrophobicContact CE1-CG 4.08Å; F217-M243 HydrophobicContact CE2-CB 4.13Å; F217-M243 HydrophobicContact CZ-CB 3.81Å; F217-M243 HydrophobicContact CZ-CG 4.17Å; F217-M243 WeakPolarHBondContact CZ-O 3.4Å; F217-L246 HydrophobicContact CE1-CB 4.35Å; F217-L246 HydrophobicContact CE1-CD1 4.04Å; F217-L246 HydrophobicContact CZ-CB 4.08Å; F217-A258 HydrophobicContact CD2-CB 4.38Å; F217-A258 HydrophobicContact CE2-CB 3.73Å
218	V	91.3	Very high	90.5	Very high	73 Å²	73	37.1 Å²	37.1	44%	0.442	19%	0.188	S	C	.	.	H	α-helix	trans	-57.5	-46.2	175.5	171	0	0	0	0	110.4	P201 S214 A215	P201-V218 HydrophobicContact CB-CB 4.4Å; P201-V218 HydrophobicContact CB-CG2 3.71Å; P201-V218 HydrophobicContact CG-CG2 3.7Å; S214-V218 WeakPolarHBondContact O-CG2 3.44Å; S214-V218 PolarHBondContact O-N 3.17Å; A215-V218 PolarHBondContact O-N 2.92Å
219	E	88.6	Confident	90.3	Very high	89 Å²	89	37.3 Å²	37.3	42%	0.416	19%	0.189	S	C	.	.	H	α-helix	trans	-75.5	-32.7	-176.9	-70.9	180	-158.8	0	0	114	G186 A215 W216 F217 I444	G186-E219 WeakPolarHBondContact CA-O 3.39Å; A215-E219 WeakPolarHBondContact O-CG 3.48Å; A215-E219 PolarHBondContact O-N 3.48Å; A215-E219 VanDerWaalsContact O-N 3.14Å; W216-E219 PolarHBondContact O-N 3.49Å; F217-E219 VanDerWaalsContact C-N 3.3Å; F217-E219 PolarHBondContact O-N 3.44Å; E219-I444 WeakPolarHBondContact OE2-CD1 3.39Å
220	N	90.6	Very high	89.9	Confident	35 Å²	35	31.5 Å²	31.5	19%	0.187	17%	0.169	C	C	.	.	H	α-helix	trans	-120.2	-16.5	-164.1	-62.5	-85.2	0	0	0	115.4	W216 F217 S223 S224 M243	W216-N220 HydrophobicContact CH2-CB 4.49Å; W216-N220 HydrophobicContact CZ2-CB 4.28Å; W216-N220 VanDerWaalsContact CZ3-ND2 3.27Å; W216-N220 WeakPolarHBondContact CZ3-ND2 3.28Å; W216-N220 WeakPolarHBondContact O-CB 3.38Å; W216-N220 PolarHBondContact O-N 2.83Å; W216-N220 VanDerWaalsContact O-N 3.07Å; W216-N220 PolarHBondContact O-ND2 3.22Å; F217-N220 PolarHBondContact O-N 3.47Å; N220-S223 PolarHBondContact O-OG 3.47Å; N220-S224 WeakPolarHBondContact O-CB 3.05Å; N220-S224 PolarHBondContact O-N 2.89Å; N220-S224 PolarHBondContact O-OG 2.92Å; N220-M243 HydrophobicContact CB-CE 3.36Å
221	L	91.1	Very high	89.3	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-46.4	-172.5	179.9	60.1	0	0	0	112.4	P199 F217 T225 L240 M243 A258 L261	P199-L221 HydrophobicContact CB-CD2 3.81Å; P199-L221 HydrophobicContact CB-CG 4.09Å; F217-L221 HydrophobicContact CB-CB 4.44Å; F217-L221 HydrophobicContact CD2-CD2 4.35Å; F217-L221 WeakPolarHBondContact O-CB 3.24Å; F217-L221 PolarHBondContact O-N 3.46Å; L221-T225 WeakPolarHBondContact O-CB 3.48Å; L221-T225 PolarHBondContact O-N 2.95Å; L221-T225 VanDerWaalsContact O-N 3.07Å; L221-T225 PolarHBondContact O-OG1 3.21Å; L221-L240 HydrophobicContact CD1-CD1 3.82Å; L221-M243 HydrophobicContact CB-SD 4.12Å; L221-M243 HydrophobicContact CD1-SD 3.78Å; L221-A258 HydrophobicContact CD1-CB 3.88Å; L221-L261 HydrophobicContact CD1-CD1 4.07Å; L221-L261 HydrophobicContact CD2-CD1 4.17Å; L221-L261 HydrophobicContact CG-CD1 4.01Å
222	Y	89.2	Confident	88.6	Confident	26 Å²	26	30.9 Å²	30.9	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-52.6	179.7	-174.9	-80	0	0	0	110.8	E185 F190 L195 P199 S224 T225 A226	E185-Y222 HydrophobicContact CB-CD1 3.63Å; E185-Y222 HydrophobicContact CB-CE1 4.37Å; E185-Y222 HydrophobicContact CB-CG 4.19Å; E185-Y222 HydrophobicContact CG-CD1 3.7Å; E185-Y222 HydrophobicContact CG-CE1 4.28Å; E185-Y222 HydrophobicContact CG-CG 3.96Å; F190-Y222 HydrophobicContact CB-CE1 4.2Å; F190-Y222 HydrophobicContact CD2-CD1 4.14Å; F190-Y222 AromaticContact CD2-CE1 3.81Å; F190-Y222 HydrophobicContact CD2-CE1 3.81Å; F190-Y222 HydrophobicContact CE2-CD1 4.41Å; F190-Y222 HydrophobicContact CE2-CE1 4.49Å; F190-Y222 HydrophobicContact CG-CE1 4.17Å; L195-Y222 HydrophobicContact CD1-CD2 3.84Å; L195-Y222 HydrophobicContact CD1-CE1 4.43Å; L195-Y222 HydrophobicContact CD1-CE2 3.57Å; L195-Y222 HydrophobicContact CD1-CG 4.36Å; P199-Y222 HydrophobicContact CG-CD2 3.64Å; P199-Y222 HydrophobicContact CG-CG 4.31Å; Y222-S224 PolarHBondContact O-N 2.81Å; Y222-T225 PolarHBondContact O-N 2.95Å; Y222-A226 HydrophobicContact CD1-CB 4.4Å; Y222-A226 HydrophobicContact CE1-CB 4.18Å; Y222-A226 WeakPolarHBondContact O-CB 3.35Å; Y222-A226 PolarHBondContact O-N 3.33Å
223	S	87.7	Confident	88.2	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.063	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-42.4	-176.6	58.6	0	0	0	0	111.9	N220 A227	N220-S223 PolarHBondContact O-OG 3.47Å; S223-A227 WeakPolarHBondContact O-CB 3.5Å; S223-A227 PolarHBondContact O-N 2.91Å
224	S	90.9	Very high	87.8	Confident	11 Å²	11	30.1 Å²	30.1	8%	0.077	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-41.9	176.5	-59.2	0	0	0	0	111.9	N220 Y222 C228	N220-S224 WeakPolarHBondContact O-CB 3.05Å; N220-S224 PolarHBondContact O-N 2.89Å; N220-S224 PolarHBondContact O-OG 2.92Å; Y222-S224 PolarHBondContact O-N 2.81Å; S224-C228 WeakPolarHBondContact O-CB 3.45Å; S224-C228 PolarHBondContact O-N 3.06Å
225	T	90.3	Very high	87.4	Confident	2 Å²	2	33 Å²	33	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-49.9	178.4	-53.7	0	0	0	0	111.8	L195 L221 Y222 A227 C228 L229 L240 L261 V265	L195-T225 HydrophobicContact CD2-CG2 3.88Å; L221-T225 WeakPolarHBondContact O-CB 3.48Å; L221-T225 PolarHBondContact O-N 2.95Å; L221-T225 VanDerWaalsContact O-N 3.07Å; L221-T225 PolarHBondContact O-OG1 3.21Å; Y222-T225 PolarHBondContact O-N 2.95Å; T225-A227 VanDerWaalsContact C-N 3.33Å; T225-A227 PolarHBondContact O-N 3.41Å; T225-C228 PolarHBondContact O-N 2.53Å; T225-L229 VanDerWaalsContact O-CB 3.32Å; T225-L229 WeakPolarHBondContact O-CB 3.34Å; T225-L229 PolarHBondContact O-N 2.82Å; T225-L240 HydrophobicContact CG2-CD2 4.31Å; T225-L240 WeakPolarHBondContact OG1-CD1 3.45Å; T225-L261 HydrophobicContact CG2-CB 4.04Å; T225-L261 HydrophobicContact CG2-CD1 4.36Å; T225-L261 HydrophobicContact CG2-CD2 4.29Å; T225-L261 HydrophobicContact CG2-CG 4.46Å; T225-V265 HydrophobicContact CG2-CG2 4.27Å
226	A	86.9	Confident	87.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-40	-179.3	0	0	0	0	0	111.7	F190 I194 L195 Y222 T230	F190-A226 HydrophobicContact CD1-CB 3.66Å; F190-A226 HydrophobicContact CD2-CB 4.38Å; F190-A226 HydrophobicContact CE1-CB 3.58Å; F190-A226 HydrophobicContact CE2-CB 4.32Å; F190-A226 HydrophobicContact CG-CB 4.06Å; F190-A226 HydrophobicContact CZ-CB 3.93Å; I194-A226 HydrophobicContact CG2-CB 4.12Å; L195-A226 HydrophobicContact CD1-CB 4.38Å; Y222-A226 HydrophobicContact CD1-CB 4.4Å; Y222-A226 HydrophobicContact CE1-CB 4.18Å; Y222-A226 WeakPolarHBondContact O-CB 3.35Å; Y222-A226 PolarHBondContact O-N 3.33Å; A226-T230 VanDerWaalsContact O-CB 3.22Å; A226-T230 WeakPolarHBondContact O-CB 3.47Å; A226-T230 PolarHBondContact O-N 2.73Å; A226-T230 PolarHBondContact O-OG1 3.49Å
227	A	85.1	Confident	87.2	Confident	6 Å²	6	32.7 Å²	32.7	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-70	-38.1	176.7	0	0	0	0	0	112.9	F190 S223 T225 Y231 S232 N233 A236	F190-A227 HydrophobicContact CE1-CB 4.47Å; F190-A227 HydrophobicContact CZ-CB 4.46Å; S223-A227 WeakPolarHBondContact O-CB 3.5Å; S223-A227 PolarHBondContact O-N 2.91Å; T225-A227 VanDerWaalsContact C-N 3.33Å; T225-A227 PolarHBondContact O-N 3.41Å; A227-Y231 WeakPolarHBondContact O-CB 3.3Å; A227-Y231 PolarHBondContact O-N 2.82Å; A227-Y231 VanDerWaalsContact O-N 3.08Å; A227-S232 PolarHBondContact O-N 2.91Å; A227-N233 HydrophobicContact CB-CB 4.38Å; A227-N233 PolarHBondContact O-N 2.93Å; A227-A236 HydrophobicContact CB-CB 3.75Å
228	C	88.1	Confident	87.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-40.2	176	180	0	0	0	0	112.5	S224 T225 S232 C237 K269	S224-C228 WeakPolarHBondContact O-CB 3.45Å; S224-C228 PolarHBondContact O-N 3.06Å; T225-C228 PolarHBondContact O-N 2.53Å; C228-S232 WeakPolarHBondContact O-CA 3.5Å; C228-S232 PolarHBondContact O-N 2.91Å; C228-C237 WeakPolarHBondContact CA-SG 3.16Å; C228-C237 HydrophobicContact CB-CB 3.96Å; C228-C237 WeakPolarHBondContact CB-SG 3.44Å; C228-C237 WeakPolarHBondContact SG-CA 3.23Å; C228-C237 WeakPolarHBondContact SG-CB 3.26Å; C228-C237 CovalentContact SG-SG 2.03Å; C228-C237 PolarHBondContact SG-SG 2.82Å; C228-K269 PolarHBondContact O-NZ 2.83Å
229	L	85.9	Confident	87.3	Confident	59 Å²	59	29.5 Å²	29.5	31%	0.309	16%	0.157	S	C	.	.	H	α-helix	trans	-74.2	-48.8	-179.1	-177.5	62.7	0	0	0	112.3	I194 T225 V265 S268	I194-L229 HydrophobicContact CG2-CD2 4.39Å; T225-L229 VanDerWaalsContact O-CB 3.32Å; T225-L229 WeakPolarHBondContact O-CB 3.34Å; T225-L229 PolarHBondContact O-N 2.82Å; L229-V265 HydrophobicContact CB-CG2 4.19Å; L229-V265 HydrophobicContact CD1-CG1 4.38Å; L229-V265 HydrophobicContact CD1-CG2 4.29Å; L229-S268 WeakPolarHBondContact CD1-OG 3.38Å
230	T	80.9	Confident	87.6	Confident	68 Å²	68	25.2 Å²	25.2	42%	0.417	14%	0.137	S	C	.	.	H	α-helix	trans	-83.9	-38.1	-171.2	-49	0	0	0	0	112.6	A226	A226-T230 VanDerWaalsContact O-CB 3.22Å; A226-T230 WeakPolarHBondContact O-CB 3.47Å; A226-T230 PolarHBondContact O-N 2.73Å; A226-T230 PolarHBondContact O-OG1 3.49Å
231	Y	76.7	Confident	87.8	Confident	100 Å²	100	23.6 Å²	23.6	39%	0.392	13%	0.128	S	C	.	.	H	α-helix	trans	-114.8	1.6	-171	-54.9	-64	0	0	0	113.4	F190 A227 N233	F190-Y231 HydrophobicContact CD1-CE2 4.48Å; F190-Y231 HydrophobicContact CE1-CE2 4.2Å; A227-Y231 WeakPolarHBondContact O-CB 3.3Å; A227-Y231 PolarHBondContact O-N 2.82Å; A227-Y231 VanDerWaalsContact O-N 3.08Å; Y231-N233 PolarHBondContact O-N 2.91Å
232	S	77.8	Confident	88.1	Confident	24 Å²	24	23.5 Å²	23.5	17%	0.168	13%	0.128	C	C	.	.			trans	48.6	33.2	-173.9	-74.3	0	0	0	0	113.4	A227 C228 L234 K269	A227-S232 PolarHBondContact O-N 2.91Å; C228-S232 WeakPolarHBondContact O-CA 3.5Å; C228-S232 PolarHBondContact O-N 2.91Å; S232-L234 PolarHBondContact O-N 2.86Å; S232-L234 VanDerWaalsContact O-N 3.13Å; S232-K269 PolarHBondContact OG-NZ 3.26Å
233	N	83.3	Confident	88.4	Confident	74 Å²	74	22.3 Å²	22.3	40%	0.396	12%	0.123	S	C	.	.			trans	-66.4	114.5	-179.1	-178.7	-38.1	0	0	0	109.5	A227 Y231 T235 A236 C237	A227-N233 HydrophobicContact CB-CB 4.38Å; A227-N233 PolarHBondContact O-N 2.93Å; Y231-N233 PolarHBondContact O-N 2.91Å; N233-T235 PolarHBondContact O-N 3.47Å; N233-T235 PolarHBondContact OD1-N 2.9Å; N233-T235 VanDerWaalsContact OD1-N 3.13Å; N233-A236 HydrophobicContact CB-CB 3.92Å; N233-A236 PolarHBondContact O-N 2.91Å; N233-A236 PolarHBondContact OD1-N 2.77Å; N233-C237 WeakPolarHBondContact O-CB 3.43Å; N233-C237 PolarHBondContact O-N 3.36Å; N233-C237 PolarHBondContact O-SG 3.46Å
234	L	83.6	Confident	88.8	Confident	36 Å²	36	21.9 Å²	21.9	19%	0.188	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-48.1	-174.1	-178.4	63.5	0	0	0	112.3	I50 S232 A236 C237 Q238	I50-L234 HydrophobicContact CB-CD2 4.11Å; S232-L234 PolarHBondContact O-N 2.86Å; S232-L234 VanDerWaalsContact O-N 3.13Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 2.96Å; L234-C237 WeakPolarHBondContact O-CB 3.32Å; L234-C237 PolarHBondContact O-N 2.7Å; L234-Q238 HydrophobicContact CD1-CG 4.35Å; L234-Q238 HydrophobicContact CG-CG 4.42Å; L234-Q238 VanDerWaalsContact O-CG 3.24Å; L234-Q238 WeakPolarHBondContact O-CG 3.36Å; L234-Q238 PolarHBondContact O-N 2.98Å
235	T	87.8	Confident	89	Confident	59 Å²	59	21.3 Å²	21.3	36%	0.362	12%	0.116	S	C	.	.	H	α-helix	trans	-62.6	-41.9	-179.2	-51.5	0	0	0	0	110.9	N233 C237 Q238 A239 R331 E333	N233-T235 PolarHBondContact O-N 3.47Å; N233-T235 PolarHBondContact OD1-N 2.9Å; N233-T235 VanDerWaalsContact OD1-N 3.13Å; T235-C237 PolarHBondContact O-N 2.9Å; T235-Q238 PolarHBondContact O-N 3.23Å; T235-A239 WeakPolarHBondContact O-CB 3.45Å; T235-A239 PolarHBondContact O-N 3.5Å; T235-R331 WeakPolarHBondContact CG2-O 3.18Å; T235-E333 HydrophobicContact CG2-CG 3.91Å
236	A	89.7	Confident	89.3	Confident	12 Å²	12	21.2 Å²	21.2	10%	0.099	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-39.2	175	0	0	0	0	0	112.6	A227 N233 L234 A239 L240	A227-A236 HydrophobicContact CB-CB 3.75Å; N233-A236 HydrophobicContact CB-CB 3.92Å; N233-A236 PolarHBondContact O-N 2.91Å; N233-A236 PolarHBondContact OD1-N 2.77Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 2.96Å; A236-A239 PolarHBondContact O-N 2.81Å; A236-L240 WeakPolarHBondContact O-CB 3.49Å; A236-L240 PolarHBondContact O-N 3.11Å
237	C	92	Very high	89.6	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-38.4	174.5	-70.6	0	0	0	0	112.8	C228 N233 L234 T235 G241 N284 L285	C228-C237 WeakPolarHBondContact CA-SG 3.16Å; C228-C237 HydrophobicContact CB-CB 3.96Å; C228-C237 WeakPolarHBondContact CB-SG 3.44Å; C228-C237 WeakPolarHBondContact SG-CA 3.23Å; C228-C237 WeakPolarHBondContact SG-CB 3.26Å; C228-C237 CovalentContact SG-SG 2.03Å; C228-C237 PolarHBondContact SG-SG 2.82Å; N233-C237 WeakPolarHBondContact O-CB 3.43Å; N233-C237 PolarHBondContact O-N 3.36Å; N233-C237 PolarHBondContact O-SG 3.46Å; L234-C237 WeakPolarHBondContact O-CB 3.32Å; L234-C237 PolarHBondContact O-N 2.7Å; T235-C237 PolarHBondContact O-N 2.9Å; C237-G241 PolarHBondContact O-N 3.37Å; C237-N284 WeakPolarHBondContact CB-O 3.11Å; C237-N284 PolarHBondContact SG-O 3.32Å; C237-L285 HydrophobicContact CB-CD2 4.01Å
238	Q	93.1	Very high	89.9	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-67.1	-42	174	-68.2	-72.2	-20.3	0	0	111.2	L234 T235 G241 N242 G332 R430	L234-Q238 HydrophobicContact CD1-CG 4.35Å; L234-Q238 HydrophobicContact CG-CG 4.42Å; L234-Q238 VanDerWaalsContact O-CG 3.24Å; L234-Q238 WeakPolarHBondContact O-CG 3.36Å; L234-Q238 PolarHBondContact O-N 2.98Å; T235-Q238 PolarHBondContact O-N 3.23Å; Q238-G241 PolarHBondContact O-N 2.87Å; Q238-N242 VanDerWaalsContact O-CG 3.25Å; Q238-N242 PolarHBondContact O-N 3.21Å; Q238-N242 PolarHBondContact O-OD1 3.25Å; Q238-G332 VanDerWaalsContact CB-CA 3.48Å; Q238-G332 WeakPolarHBondContact CB-O 3.44Å; Q238-R430 VanDerWaalsContact OE1-NH2 3.13Å
239	A	94.4	Very high	90.1	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-45.7	175.1	0	0	0	0	0	111.9	T235 A236 G241 N242 M243	T235-A239 WeakPolarHBondContact O-CB 3.45Å; T235-A239 PolarHBondContact O-N 3.5Å; A236-A239 PolarHBondContact O-N 2.81Å; A239-G241 VanDerWaalsContact C-N 3.31Å; A239-G241 PolarHBondContact O-N 3.43Å; A239-N242 PolarHBondContact O-N 2.73Å; A239-M243 WeakPolarHBondContact O-CG 3.29Å; A239-M243 PolarHBondContact O-N 3.09Å
240	L	95.3	Very high	90.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-43	174.3	178.8	61.6	0	0	0	111.5	L221 T225 A236 M243 C244 L261 F262 V265	L221-L240 HydrophobicContact CD1-CD1 3.82Å; T225-L240 HydrophobicContact CG2-CD2 4.31Å; T225-L240 WeakPolarHBondContact OG1-CD1 3.45Å; A236-L240 WeakPolarHBondContact O-CB 3.49Å; A236-L240 PolarHBondContact O-N 3.11Å; L240-M243 PolarHBondContact O-N 3.37Å; L240-C244 PolarHBondContact O-N 3.43Å; L240-C244 VanDerWaalsContact O-N 3.07Å; L240-L261 HydrophobicContact CD1-CB 4.33Å; L240-F262 HydrophobicContact CD2-CB 4.34Å; L240-F262 HydrophobicContact CD2-CD2 4.32Å; L240-F262 HydrophobicContact CG-CB 4.14Å; L240-F262 HydrophobicContact CG-CD2 4.13Å; L240-V265 HydrophobicContact CD2-CG2 4.16Å
241	G	95.2	Very high	90.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-47.9	174	0	0	0	0	0	112.1	C237 Q238 A239 M243 C244 V245	C237-G241 PolarHBondContact O-N 3.37Å; Q238-G241 PolarHBondContact O-N 2.87Å; A239-G241 VanDerWaalsContact C-N 3.31Å; A239-G241 PolarHBondContact O-N 3.43Å; G241-M243 VanDerWaalsContact C-N 3.34Å; G241-M243 PolarHBondContact O-N 3.13Å; G241-C244 WeakPolarHBondContact O-CA 3.44Å; G241-C244 WeakPolarHBondContact O-CB 3.33Å; G241-C244 PolarHBondContact O-N 3.24Å; G241-V245 WeakPolarHBondContact O-CG2 3.44Å; G241-V245 PolarHBondContact O-N 3.13Å
242	N	96.6	Very high	90.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-40.1	177.8	-70.7	-6.2	0	0	0	112.2	Q238 A239 C244 V245 L246 N329 F385 R430	Q238-N242 VanDerWaalsContact O-CG 3.25Å; Q238-N242 PolarHBondContact O-N 3.21Å; Q238-N242 PolarHBondContact O-OD1 3.25Å; A239-N242 PolarHBondContact O-N 2.73Å; N242-C244 VanDerWaalsContact C-N 3.29Å; N242-C244 PolarHBondContact O-N 2.93Å; N242-V245 WeakPolarHBondContact O-CB 3.32Å; N242-V245 PolarHBondContact O-N 3.46Å; N242-V245 VanDerWaalsContact O-N 3.12Å; N242-L246 WeakPolarHBondContact O-CG 2.97Å; N242-L246 PolarHBondContact O-N 3.17Å; N242-N329 PolarHBondContact ND2-O 3Å; N242-F385 HydrophobicContact CB-CD1 4.12Å; N242-F385 HydrophobicContact CB-CD2 4.12Å; N242-F385 HydrophobicContact CB-CE1 3.82Å; N242-F385 HydrophobicContact CB-CE2 3.87Å; N242-F385 HydrophobicContact CB-CG 4.26Å; N242-F385 HydrophobicContact CB-CZ 3.69Å; N242-F385 WeakPolarHBondContact O-CE1 3.22Å; N242-R430 VanDerWaalsContact OD1-CD 3.27Å; N242-R430 WeakPolarHBondContact OD1-CD 3.49Å; N242-R430 PolarHBondContact OD1-NH1 3.12Å
243	M	95.8	Very high	90.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-35.5	172.2	-69.1	174.9	-168.9	0	0	112.4	W216 F217 N220 L221 A239 L240 G241 L246 N247 A258	W216-M243 HydrophobicContact CZ2-CE 4.21Å; F217-M243 HydrophobicContact CD1-CG 4.46Å; F217-M243 HydrophobicContact CE1-CB 4.23Å; F217-M243 HydrophobicContact CE1-CG 4.08Å; F217-M243 HydrophobicContact CE2-CB 4.13Å; F217-M243 HydrophobicContact CZ-CB 3.81Å; F217-M243 HydrophobicContact CZ-CG 4.17Å; F217-M243 WeakPolarHBondContact CZ-O 3.4Å; N220-M243 HydrophobicContact CB-CE 3.36Å; L221-M243 HydrophobicContact CB-SD 4.12Å; L221-M243 HydrophobicContact CD1-SD 3.78Å; A239-M243 WeakPolarHBondContact O-CG 3.29Å; A239-M243 PolarHBondContact O-N 3.09Å; L240-M243 PolarHBondContact O-N 3.37Å; G241-M243 VanDerWaalsContact C-N 3.34Å; G241-M243 PolarHBondContact O-N 3.13Å; M243-L246 PolarHBondContact O-N 2.92Å; M243-N247 PolarHBondContact O-N 3.01Å; M243-N247 VanDerWaalsContact O-N 3.09Å; M243-A258 HydrophobicContact CB-CB 3.73Å
244	C	95.4	Very high	89.4	Confident	0 Å²	0	19 Å²	19	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-39.8	171.8	177	0	0	0	0	112.1	L240 G241 N242 L246 N247 M248 H249 C259 F262 L288	L240-C244 PolarHBondContact O-N 3.43Å; L240-C244 VanDerWaalsContact O-N 3.07Å; G241-C244 WeakPolarHBondContact O-CA 3.44Å; G241-C244 WeakPolarHBondContact O-CB 3.33Å; G241-C244 PolarHBondContact O-N 3.24Å; N242-C244 VanDerWaalsContact C-N 3.29Å; N242-C244 PolarHBondContact O-N 2.93Å; C244-L246 PolarHBondContact O-N 3.35Å; C244-N247 CarbonylContact O-C 3.51Å; C244-N247 WeakPolarHBondContact O-CA 3.28Å; C244-N247 PolarHBondContact O-N 3.41Å; C244-N247 VanDerWaalsContact O-N 3.14Å; C244-M248 PolarHBondContact O-N 2.94Å; C244-H249 PolarHBondContact O-N 3.39Å; C244-C259 VanDerWaalsContact C-SG 3.54Å; C244-C259 WeakPolarHBondContact CA-SG 3.43Å; C244-C259 HydrophobicContact CB-CB 4Å; C244-C259 WeakPolarHBondContact CB-SG 3.2Å; C244-C259 PolarHBondContact O-SG 3.43Å; C244-C259 WeakPolarHBondContact SG-CA 3.33Å; C244-C259 WeakPolarHBondContact SG-CB 3.28Å; C244-C259 CovalentContact SG-SG 2.05Å; C244-C259 PolarHBondContact SG-SG 3.22Å; C244-F262 HydrophobicContact CB-CB 4.34Å; C244-L288 HydrophobicContact CB-CD1 4.45Å
245	V	96.1	Very high	89.3	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-45	173.4	-171.3	0	0	0	0	110.9	G241 N242 N247 M248 L288 F385 R430 F432	G241-V245 WeakPolarHBondContact O-CG2 3.44Å; G241-V245 PolarHBondContact O-N 3.13Å; N242-V245 WeakPolarHBondContact O-CB 3.32Å; N242-V245 PolarHBondContact O-N 3.46Å; N242-V245 VanDerWaalsContact O-N 3.12Å; V245-N247 PolarHBondContact O-N 2.88Å; V245-M248 WeakPolarHBondContact O-CA 3.34Å; V245-M248 WeakPolarHBondContact O-CE 3.44Å; V245-M248 PolarHBondContact O-N 3.47Å; V245-L288 HydrophobicContact CG2-CD2 4.17Å; V245-F385 HydrophobicContact CB-CD1 4.1Å; V245-F385 HydrophobicContact CB-CE1 3.94Å; V245-F385 HydrophobicContact CG1-CD1 4.13Å; V245-F385 HydrophobicContact CG1-CE1 4.21Å; V245-F385 HydrophobicContact CG2-CD1 4.43Å; V245-R430 HydrophobicContact CG2-CB 3.95Å; V245-R430 HydrophobicContact CG2-CG 3.95Å; V245-F432 HydrophobicContact CG1-CD1 3.73Å; V245-F432 HydrophobicContact CG1-CE1 4.14Å; V245-F432 WeakPolarHBondContact O-CE1 3.31Å
246	L	95.5	Very high	89.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.6	-32.2	176.2	-67.4	173.6	0	0	0	112.4	F217 N242 M243 C244 M248 V330 P383 F385 F432 D435 R452	F217-L246 HydrophobicContact CE1-CB 4.35Å; F217-L246 HydrophobicContact CE1-CD1 4.04Å; F217-L246 HydrophobicContact CZ-CB 4.08Å; N242-L246 WeakPolarHBondContact O-CG 2.97Å; N242-L246 PolarHBondContact O-N 3.17Å; M243-L246 PolarHBondContact O-N 2.92Å; C244-L246 PolarHBondContact O-N 3.35Å; L246-M248 PolarHBondContact O-N 3.44Å; L246-V330 HydrophobicContact CD1-CG2 4.39Å; L246-P383 HydrophobicContact CD2-CB 4.29Å; L246-P383 HydrophobicContact CD2-CG 4.24Å; L246-F385 HydrophobicContact CD1-CZ 3.97Å; L246-F385 HydrophobicContact CD2-CE1 3.97Å; L246-F385 HydrophobicContact CD2-CZ 3.71Å; L246-F385 HydrophobicContact CG-CE1 3.92Å; L246-F385 HydrophobicContact CG-CZ 3.68Å; L246-F432 HydrophobicContact CD2-CD1 4.1Å; L246-F432 HydrophobicContact CD2-CE1 3.99Å; L246-F432 HydrophobicContact CD2-CG 4.47Å; L246-F432 HydrophobicContact CD2-CZ 4.24Å; L246-D435 HydrophobicContact CD2-CB 3.94Å; L246-R452 PolarHBondContact O-NH1 3.47Å
247	N	92.9	Very high	89.3	Confident	3 Å²	3	18.2 Å²	18.2	2%	0.016	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	27.3	171.5	-156.3	40.2	0	0	0	113.4	N204 M243 C244 V245 H249 S250 D257	N204-N247 PolarHBondContact N-OD1 3.27Å; M243-N247 PolarHBondContact O-N 3.01Å; M243-N247 VanDerWaalsContact O-N 3.09Å; C244-N247 CarbonylContact O-C 3.51Å; C244-N247 WeakPolarHBondContact O-CA 3.28Å; C244-N247 PolarHBondContact O-N 3.41Å; C244-N247 VanDerWaalsContact O-N 3.14Å; V245-N247 PolarHBondContact O-N 2.88Å; N247-H249 VanDerWaalsContact C-N 3.26Å; N247-H249 PolarHBondContact O-N 3.35Å; N247-S250 WeakPolarHBondContact O-CB 3.3Å; N247-S250 PolarHBondContact O-N 3.48Å; N247-D257 PolarHBondContact ND2-OD2 3.46Å
248	M	92.4	Very high	89.3	Confident	12 Å²	12	18.2 Å²	18.2	6%	0.059	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	28.9	175.1	-64.4	-70.7	94.3	0	0	115.3	C244 V245 L246 S250 V407 N409 F432 R452 Y481	C244-M248 PolarHBondContact O-N 2.94Å; V245-M248 WeakPolarHBondContact O-CA 3.34Å; V245-M248 WeakPolarHBondContact O-CE 3.44Å; V245-M248 PolarHBondContact O-N 3.47Å; L246-M248 PolarHBondContact O-N 3.44Å; M248-S250 PolarHBondContact O-N 2.88Å; M248-V407 HydrophobicContact SD-CG1 4.42Å; M248-N409 HydrophobicContact SD-CB 4.35Å; M248-F432 HydrophobicContact CE-CE1 3.34Å; M248-F432 HydrophobicContact CE-CE2 4.5Å; M248-F432 HydrophobicContact CE-CZ 3.3Å; M248-R452 VanDerWaalsContact CE-CD 3.42Å; M248-Y481 HydrophobicContact CE-CD1 4.12Å; M248-Y481 HydrophobicContact CE-CD2 3.87Å; M248-Y481 HydrophobicContact CE-CE1 4.18Å; M248-Y481 HydrophobicContact CE-CE2 3.95Å; M248-Y481 HydrophobicContact CE-CG 3.96Å; M248-Y481 HydrophobicContact SD-CD1 4.46Å; M248-Y481 HydrophobicContact SD-CD2 3.48Å; M248-Y481 WeakPolarHBondContact SD-CD2 3.38Å; M248-Y481 HydrophobicContact SD-CE2 4.06Å; M248-Y481 HydrophobicContact SD-CG 3.72Å
249	H	92.2	Very high	89.3	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.009	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	25.2	-174.3	-54.3	-84.5	0	0	0	112.6	C244 N247 F251 F289 Q410 T428 R430	C244-H249 PolarHBondContact O-N 3.39Å; N247-H249 VanDerWaalsContact C-N 3.26Å; N247-H249 PolarHBondContact O-N 3.35Å; H249-F251 PolarHBondContact O-N 2.87Å; H249-F289 HydrophobicContact CB-CE1 3.89Å; H249-F289 HydrophobicContact CB-CZ 4.12Å; H249-Q410 HydrophobicContact CB-CG 4.21Å; H249-Q410 PolarHBondContact O-NE2 2.92Å; H249-T428 HydrophobicContact CB-CG2 3.97Å; H249-R430 PolarHBondContact CE1-O 3.49Å; H249-R430 PolarHBondContact NE2-O 3.37Å
250	S	87.7	Confident	89.1	Confident	14 Å²	14	18.3 Å²	18.3	10%	0.098	12%	0.123	C	C	.	.			trans	-70.1	127.3	-174	175.3	0	0	0	0	109.7	N247 M248 C259 Q411	N247-S250 WeakPolarHBondContact O-CB 3.3Å; N247-S250 PolarHBondContact O-N 3.48Å; M248-S250 PolarHBondContact O-N 2.88Å; S250-C259 WeakPolarHBondContact O-CB 3.35Å; S250-C259 PolarHBondContact O-SG 3.09Å; S250-Q411 WeakPolarHBondContact CA-O 3.42Å
251	F	84.8	Confident	89	Confident	19 Å²	19	18.7 Å²	18.7	8%	0.083	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-116.2	134	-178.4	-176.6	-94.8	0	0	0	111.7	H249 N263 Q411 Y412 N413	H249-F251 PolarHBondContact O-N 2.87Å; F251-N263 HydrophobicContact CD2-CB 4.41Å; F251-N263 HydrophobicContact CE2-CB 3.85Å; F251-N263 WeakPolarHBondContact CE2-ND2 3.33Å; F251-Q411 PolarHBondContact N-O 3.1Å; F251-Y412 HydrophobicContact CB-CD2 3.85Å; F251-Y412 HydrophobicContact CB-CE2 4.11Å; F251-Y412 AromaticContact CD1-CD2 3.72Å; F251-Y412 HydrophobicContact CD1-CD2 3.72Å; F251-Y412 AromaticContact CD1-CE2 3.21Å; F251-Y412 HydrophobicContact CD1-CE2 3.21Å; F251-Y412 AromaticContact CD1-CZ 3.75Å; F251-Y412 AromaticContact CE1-CE2 3.93Å; F251-Y412 HydrophobicContact CE1-CE2 3.93Å; F251-Y412 HydrophobicContact CG-CD2 4.17Å; F251-Y412 AromaticContact CG-CE2 3.92Å; F251-Y412 HydrophobicContact CG-CE2 3.92Å; F251-Y412 CarbonylContact O-C 3.43Å; F251-Y412 WeakPolarHBondContact O-CA 2.71Å; F251-N413 PolarHBondContact O-N 2.97Å
252	A	81.4	Confident	88.8	Confident	30 Å²	30	18.9 Å²	18.9	25%	0.248	13%	0.126	C	C	.	.			trans	-136.6	136.3	165.2	0	0	0	0	0	109.9	S254 S255 N413	A252-S254 PolarHBondContact O-N 3.27Å; A252-S255 PolarHBondContact O-N 2.98Å; A252-S255 PolarHBondContact O-OG 3.2Å; A252-N413 WeakPolarHBondContact CA-OD1 3.5Å
253	S	68.8	Low	88.5	Confident	86 Å²	86	20.1 Å²	20.1	60%	0.601	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.1	-171	-55.9	0	0	0	0	115.6	N413	S253-N413 PolarHBondContact N-OD1 2.94Å; S253-N413 PolarHBondContact OG-OD1 3.37Å
254	S	66.8	Low	88.2	Confident	119 Å²	119	24.1 Å²	24.1	83%	0.832	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134	17.2	-178.3	57.1	0	0	0	0	114	A252	A252-S254 PolarHBondContact O-N 3.27Å
255	S	81.2	Confident	87.9	Confident	31 Å²	31	24.1 Å²	24.1	22%	0.217	16%	0.158	C	C	.	.			trans	-78.9	141.2	177.1	61.2	0	0	0	0	111.8	A252 D257	A252-S255 PolarHBondContact O-N 2.98Å; A252-S255 PolarHBondContact O-OG 3.2Å; S255-D257 VanDerWaalsContact C-N 3.33Å; S255-D257 WeakPolarHBondContact CB-OD1 3.37Å; S255-D257 PolarHBondContact OG-OD1 3.21Å
256	T	87.3	Confident	87.6	Confident	40 Å²	40	25.4 Å²	25.4	25%	0.245	16%	0.162	C	C	.	.			trans	-100.8	21.8	170.2	60.4	0	0	0	0	111.4	T197 N198 P199 N200	T197-T256 HydrophobicContact CG2-CG2 4.46Å; T197-T256 WeakPolarHBondContact OG1-CG2 3.5Å; N198-T256 PolarHBondContact O-OG1 3.18Å; P199-T256 WeakPolarHBondContact CA-O 3.3Å; N200-T256 PolarHBondContact N-O 3.1Å
257	D	90.2	Very high	87.2	Confident	19 Å²	19	32.6 Å²	32.6	10%	0.102	19%	0.19	C	C	.	.	S	Bend	trans	-78.2	176.8	173.8	66	-5.1	0	0	0	111.3	N247 S255 C259 G260 L261	N247-D257 PolarHBondContact ND2-OD2 3.46Å; S255-D257 VanDerWaalsContact C-N 3.33Å; S255-D257 WeakPolarHBondContact CB-OD1 3.37Å; S255-D257 PolarHBondContact OG-OD1 3.21Å; D257-C259 VanDerWaalsContact C-N 3.3Å; D257-C259 PolarHBondContact O-N 2.92Å; D257-G260 PolarHBondContact O-N 3.42Å; D257-G260 PolarHBondContact OD1-N 3.04Å; D257-L261 WeakPolarHBondContact O-CB 3.46Å; D257-L261 WeakPolarHBondContact O-CG 3.24Å; D257-L261 PolarHBondContact O-N 2.94Å
258	A	92.6	Very high	86.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.4	-41.9	-174.2	0	0	0	0	0	113.9	F217 L221 M243 F262	F217-A258 HydrophobicContact CD2-CB 4.38Å; F217-A258 HydrophobicContact CE2-CB 3.73Å; L221-A258 HydrophobicContact CD1-CB 3.88Å; M243-A258 HydrophobicContact CB-CB 3.73Å; A258-F262 WeakPolarHBondContact O-CB 3.39Å; A258-F262 PolarHBondContact O-N 2.86Å
259	C	92.6	Very high	86.3	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-74.5	-38	178.7	-71.4	0	0	0	0	113.5	C244 S250 D257 L261 F262 N263	C244-C259 VanDerWaalsContact C-SG 3.54Å; C244-C259 WeakPolarHBondContact CA-SG 3.43Å; C244-C259 HydrophobicContact CB-CB 4Å; C244-C259 WeakPolarHBondContact CB-SG 3.2Å; C244-C259 PolarHBondContact O-SG 3.43Å; C244-C259 WeakPolarHBondContact SG-CA 3.33Å; C244-C259 WeakPolarHBondContact SG-CB 3.28Å; C244-C259 CovalentContact SG-SG 2.05Å; C244-C259 PolarHBondContact SG-SG 3.22Å; S250-C259 WeakPolarHBondContact O-CB 3.35Å; S250-C259 PolarHBondContact O-SG 3.09Å; D257-C259 VanDerWaalsContact C-N 3.3Å; D257-C259 PolarHBondContact O-N 2.92Å; C259-L261 VanDerWaalsContact C-N 3.33Å; C259-F262 PolarHBondContact O-N 3.49Å; C259-N263 WeakPolarHBondContact O-CB 3.42Å; C259-N263 PolarHBondContact O-N 2.82Å
260	G	91.3	Very high	85.7	Confident	5 Å²	5	37.8 Å²	37.8	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-41.6	173.4	0	0	0	0	0	112	D257 N263 T264	D257-G260 PolarHBondContact O-N 3.42Å; D257-G260 PolarHBondContact OD1-N 3.04Å; G260-N263 PolarHBondContact O-N 3.41Å; G260-T264 PolarHBondContact O-N 2.92Å; G260-T264 PolarHBondContact O-OG1 3.09Å
261	L	91.8	Very high	84.9	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-45.5	174.5	-69	176.2	0	0	0	111.9	L195 P199 L221 T225 L240 D257 C259 N263 T264 V265	L195-L261 HydrophobicContact CD2-CD2 3.59Å; P199-L261 HydrophobicContact CB-CD1 3.84Å; P199-L261 HydrophobicContact CG-CD1 4.22Å; L221-L261 HydrophobicContact CD1-CD1 4.07Å; L221-L261 HydrophobicContact CD2-CD1 4.17Å; L221-L261 HydrophobicContact CG-CD1 4.01Å; T225-L261 HydrophobicContact CG2-CB 4.04Å; T225-L261 HydrophobicContact CG2-CD1 4.36Å; T225-L261 HydrophobicContact CG2-CD2 4.29Å; T225-L261 HydrophobicContact CG2-CG 4.46Å; L240-L261 HydrophobicContact CD1-CB 4.33Å; D257-L261 WeakPolarHBondContact O-CB 3.46Å; D257-L261 WeakPolarHBondContact O-CG 3.24Å; D257-L261 PolarHBondContact O-N 2.94Å; C259-L261 VanDerWaalsContact C-N 3.33Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 2.91Å; L261-T264 WeakPolarHBondContact O-CB 3.47Å; L261-T264 PolarHBondContact O-N 2.87Å; L261-T264 VanDerWaalsContact O-N 3.14Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.38Å
262	F	92.4	Very high	84.3	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-55.2	-47.7	174	-178.8	-93.6	0	0	0	111.6	L240 C244 A258 C259 T264 V265 Y266 L285 P286 L288 F289	L240-F262 HydrophobicContact CD2-CB 4.34Å; L240-F262 HydrophobicContact CD2-CD2 4.32Å; L240-F262 HydrophobicContact CG-CB 4.14Å; L240-F262 HydrophobicContact CG-CD2 4.13Å; C244-F262 HydrophobicContact CB-CB 4.34Å; A258-F262 WeakPolarHBondContact O-CB 3.39Å; A258-F262 PolarHBondContact O-N 2.86Å; C259-F262 PolarHBondContact O-N 3.49Å; F262-T264 VanDerWaalsContact C-N 3.31Å; F262-T264 PolarHBondContact O-N 2.99Å; F262-V265 PolarHBondContact O-N 3.15Å; F262-Y266 WeakPolarHBondContact O-CB 3.45Å; F262-Y266 PolarHBondContact O-N 3.13Å; F262-L285 HydrophobicContact CE2-CD2 4.01Å; F262-P286 HydrophobicContact CE2-CG 3.67Å; F262-P286 HydrophobicContact CZ-CG 4.03Å; F262-L288 HydrophobicContact CD1-CD1 4.15Å; F262-L288 HydrophobicContact CD2-CD1 4.38Å; F262-L288 HydrophobicContact CE1-CB 4.43Å; F262-L288 HydrophobicContact CE1-CD1 3.75Å; F262-L288 HydrophobicContact CE1-CG 4.21Å; F262-L288 HydrophobicContact CE2-CD1 4.01Å; F262-L288 HydrophobicContact CG-CD1 4.45Å; F262-L288 HydrophobicContact CZ-CD1 3.68Å; F262-L288 HydrophobicContact CZ-CG 3.95Å; F262-F289 HydrophobicContact CD1-CE2 4.37Å; F262-F289 HydrophobicContact CE1-CE2 4.29Å
263	N	90.2	Very high	83.9	Confident	26 Å²	26	46.9 Å²	46.9	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-34	178.7	-174.5	51.2	0	0	0	112.7	F251 C259 G260 L261 V265 Y266 R267	F251-N263 HydrophobicContact CD2-CB 4.41Å; F251-N263 HydrophobicContact CE2-CB 3.85Å; F251-N263 WeakPolarHBondContact CE2-ND2 3.33Å; C259-N263 WeakPolarHBondContact O-CB 3.42Å; C259-N263 PolarHBondContact O-N 2.82Å; G260-N263 PolarHBondContact O-N 3.41Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 2.91Å; N263-V265 VanDerWaalsContact C-N 3.34Å; N263-Y266 PolarHBondContact O-N 2.97Å; N263-R267 PolarHBondContact ND2-NE 3.04Å; N263-R267 WeakPolarHBondContact O-CB 3.43Å; N263-R267 WeakPolarHBondContact O-CG 3.42Å; N263-R267 PolarHBondContact O-N 3.05Å
264	T	89.1	Confident	84.5	Confident	84 Å²	84	45.3 Å²	45.3	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-44.4	174.4	-58.9	0	0	0	0	110.9	G260 L261 F262 S268	G260-T264 PolarHBondContact O-N 2.92Å; G260-T264 PolarHBondContact O-OG1 3.09Å; L261-T264 WeakPolarHBondContact O-CB 3.47Å; L261-T264 PolarHBondContact O-N 2.87Å; L261-T264 VanDerWaalsContact O-N 3.14Å; F262-T264 VanDerWaalsContact C-N 3.31Å; F262-T264 PolarHBondContact O-N 2.99Å; T264-S268 PolarHBondContact O-N 2.83Å
265	V	89.4	Confident	85.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-38.3	175.1	-174.7	0	0	0	0	111.7	T225 L229 L240 L261 F262 N263 R267 S268 K269 L285	T225-V265 HydrophobicContact CG2-CG2 4.27Å; L229-V265 HydrophobicContact CB-CG2 4.19Å; L229-V265 HydrophobicContact CD1-CG1 4.38Å; L229-V265 HydrophobicContact CD1-CG2 4.29Å; L240-V265 HydrophobicContact CD2-CG2 4.16Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.38Å; F262-V265 PolarHBondContact O-N 3.15Å; N263-V265 VanDerWaalsContact C-N 3.34Å; V265-R267 VanDerWaalsContact C-N 3.34Å; V265-R267 PolarHBondContact O-N 2.69Å; V265-S268 PolarHBondContact O-N 2.92Å; V265-S268 PolarHBondContact O-OG 3.48Å; V265-K269 HydrophobicContact CG1-CD 4.22Å; V265-K269 WeakPolarHBondContact O-CG 3.26Å; V265-K269 PolarHBondContact O-N 3.49Å; V265-K269 VanDerWaalsContact O-N 3.12Å; V265-L285 HydrophobicContact CG1-CD1 4.46Å; V265-L285 HydrophobicContact CG1-CD2 4.13Å
266	Y	89.2	Confident	85.1	Confident	26 Å²	26	42.1 Å²	42.1	10%	0.102	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-45.1	176	177.6	-92.7	0	0	0	111.7	F262 N263 K269 A270 R282 L285 D292	F262-Y266 WeakPolarHBondContact O-CB 3.45Å; F262-Y266 PolarHBondContact O-N 3.13Å; N263-Y266 PolarHBondContact O-N 2.97Å; Y266-K269 PolarHBondContact O-N 2.82Å; Y266-A270 PolarHBondContact O-N 2.87Å; Y266-R282 HydrophobicContact CD2-CG 3.74Å; Y266-R282 HydrophobicContact CE2-CG 3.43Å; Y266-R282 VanDerWaalsContact CE2-CG 3.43Å; Y266-L285 HydrophobicContact CD2-CD1 4.32Å; Y266-D292 VanDerWaalsContact CE1-OD1 3.24Å; Y266-D292 WeakPolarHBondContact CE1-OD1 3.46Å; Y266-D292 PolarHBondContact OH-OD1 3.4Å
267	R	87.3	Confident	84.7	Confident	152 Å²	152	48 Å²	48	57%	0.574	28%	0.278	S	S	*	.	H	α-helix	trans	-68.4	-38.5	176.8	-72.6	179.1	177	-179.5	-0.4	112.9	N263 V265 K269 A270	N263-R267 PolarHBondContact ND2-NE 3.04Å; N263-R267 WeakPolarHBondContact O-CB 3.43Å; N263-R267 WeakPolarHBondContact O-CG 3.42Å; N263-R267 PolarHBondContact O-N 3.05Å; V265-R267 VanDerWaalsContact C-N 3.34Å; V265-R267 PolarHBondContact O-N 2.69Å; R267-K269 PolarHBondContact O-N 2.92Å; R267-A270 VanDerWaalsContact O-CB 3.25Å; R267-A270 WeakPolarHBondContact O-CB 3.47Å; R267-A270 PolarHBondContact O-N 2.96Å
268	S	85.4	Confident	84.4	Confident	69 Å²	69	47.2 Å²	47.2	48%	0.483	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-28.2	177	72.5	0	0	0	0	112.2	L229 T264 V265	L229-S268 WeakPolarHBondContact CD1-OG 3.38Å; T264-S268 PolarHBondContact O-N 2.83Å; V265-S268 PolarHBondContact O-N 2.92Å; V265-S268 PolarHBondContact O-OG 3.48Å
269	K	81.8	Confident	83.8	Confident	9 Å²	9	49.2 Å²	49.2	4%	0.039	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.5	177.1	-70	-172.2	173.2	-178.8	0	114.5	C228 S232 V265 Y266 R267 A271 L272 L285	C228-K269 PolarHBondContact O-NZ 2.83Å; S232-K269 PolarHBondContact OG-NZ 3.26Å; V265-K269 HydrophobicContact CG1-CD 4.22Å; V265-K269 WeakPolarHBondContact O-CG 3.26Å; V265-K269 PolarHBondContact O-N 3.49Å; V265-K269 VanDerWaalsContact O-N 3.12Å; Y266-K269 PolarHBondContact O-N 2.82Å; R267-K269 PolarHBondContact O-N 2.92Å; K269-A271 PolarHBondContact O-N 3.44Å; K269-L272 HydrophobicContact CB-CD1 3.93Å; K269-L272 HydrophobicContact CD-CD1 4.22Å; K269-L272 HydrophobicContact CG-CD1 3.85Å; K269-L272 WeakPolarHBondContact O-CB 3.28Å; K269-L272 PolarHBondContact O-N 3.01Å; K269-L272 VanDerWaalsContact O-N 3.07Å; K269-L285 HydrophobicContact CB-CD1 4.14Å; K269-L285 HydrophobicContact CD-CD1 3.68Å; K269-L285 HydrophobicContact CD-CG 3.94Å; K269-L285 HydrophobicContact CG-CD1 4.37Å
270	A	77.9	Confident	83.4	Confident	48 Å²	48	51.3 Å²	51.3	40%	0.397	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.9	-177.6	0	0	0	0	0	114.3	Y266 R267 L272 R282	Y266-A270 PolarHBondContact O-N 2.87Å; R267-A270 VanDerWaalsContact O-CB 3.25Å; R267-A270 WeakPolarHBondContact O-CB 3.47Å; R267-A270 PolarHBondContact O-N 2.96Å; A270-L272 VanDerWaalsContact C-N 3.3Å; A270-R282 PolarHBondContact O-NH1 3.42Å; A270-R282 VanDerWaalsContact O-NH1 3.15Å
271	A	71.9	Confident	83.3	Confident	106 Å²	106	51.4 Å²	51.4	88%	0.876	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.1	177.4	0	0	0	0	0	114.1	K269	K269-A271 PolarHBondContact O-N 3.44Å
272	L	71.8	Confident	83	Confident	62 Å²	62	52.8 Å²	52.8	33%	0.325	30%	0.301	S	S	.	.	S	Bend	trans	-82.2	155.3	176.1	-63.9	167.5	0	0	0	110.5	K269 A270	K269-L272 HydrophobicContact CB-CD1 3.93Å; K269-L272 HydrophobicContact CD-CD1 4.22Å; K269-L272 HydrophobicContact CG-CD1 3.85Å; K269-L272 WeakPolarHBondContact O-CB 3.28Å; K269-L272 PolarHBondContact O-N 3.01Å; K269-L272 VanDerWaalsContact O-N 3.07Å; A270-L272 VanDerWaalsContact C-N 3.3Å
273	S	73.8	Confident	82.5	Confident	86 Å²	86	54 Å²	54	60%	0.601	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-58.6	154.7	178.5	54.7	0	0	0	0	112.5	V283	S273-V283 VanDerWaalsContact O-CG2 3.27Å; S273-V283 WeakPolarHBondContact O-CG2 3.5Å
274	S	81.1	Confident	82	Confident	53 Å²	53	53.4 Å²	53.4	37%	0.371	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	156.8	168.5	46.6	0	0	0	0	111.9	I278 W281	S274-I278 WeakPolarHBondContact CB-O 3.42Å; S274-W281 WeakPolarHBondContact CA-O 3.48Å
275	V	80.2	Confident	81.9	Confident	10 Å²	10	49.4 Å²	49.4	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.6	176.4	175.9	0	0	0	0	109.4	E277 I278 W281 V283	V275-E277 PolarHBondContact O-N 2.74Å; V275-E277 VanDerWaalsContact O-N 3.17Å; V275-I278 PolarHBondContact O-N 3.28Å; V275-W281 HydrophobicContact CB-CB 4.17Å; V275-W281 HydrophobicContact CB-CD2 3.68Å; V275-W281 HydrophobicContact CB-CE3 4.01Å; V275-W281 HydrophobicContact CB-CG 3.73Å; V275-W281 HydrophobicContact CG1-CD2 3.61Å; V275-W281 HydrophobicContact CG1-CE3 3.68Å; V275-W281 HydrophobicContact CG1-CG 4.2Å; V275-W281 HydrophobicContact CG1-CH2 3.98Å; V275-W281 HydrophobicContact CG1-CZ2 3.92Å; V275-W281 HydrophobicContact CG1-CZ3 3.86Å; V275-W281 HydrophobicContact CG2-CG 4.34Å; V275-W281 PolarHBondContact N-O 3.19Å; V275-V283 HydrophobicContact CG2-CB 4.41Å; V275-V283 HydrophobicContact CG2-CG2 3.76Å
276	Q	79.8	Confident	82	Confident	72 Å²	72	49.6 Å²	49.6	34%	0.336	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	36.3	-178.2	-57.3	-71.5	-9.3	0	0	112.4	I34 S52 I278 W281	I34-Q276 HydrophobicContact CG2-CB 4.44Å; I34-Q276 HydrophobicContact CG2-CG 4.49Å; S52-Q276 PolarHBondContact O-NE2 2.99Å; Q276-I278 PolarHBondContact O-N 3.03Å; Q276-W281 HydrophobicContact CB-CE3 4.46Å; Q276-W281 HydrophobicContact CB-CZ3 4.28Å; Q276-W281 HydrophobicContact CG-CE3 4.47Å; Q276-W281 HydrophobicContact CG-CZ3 3.89Å
277	E	78.9	Confident	82.1	Confident	165 Å²	165	48.4 Å²	48.4	77%	0.771	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-6.9	-173.9	-58.2	178.4	169.9	0	0	115.2	Q30 V275 A279	Q30-E277 PolarHBondContact NE2-O 2.91Å; V275-E277 PolarHBondContact O-N 2.74Å; V275-E277 VanDerWaalsContact O-N 3.17Å; E277-A279 PolarHBondContact O-N 2.94Å
278	I	83.3	Confident	82.3	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	111.1	-175	-63.5	168.7	0	0	0	111.7	F32 I34 S274 V275 Q276 Y280 W281 W287	F32-I278 HydrophobicContact CD1-CD1 4.3Å; F32-I278 HydrophobicContact CD1-CG1 4.19Å; F32-I278 HydrophobicContact CD1-CG2 4.03Å; F32-I278 HydrophobicContact CE1-CG2 4.07Å; I34-I278 HydrophobicContact CG2-CD1 4.11Å; S274-I278 WeakPolarHBondContact CB-O 3.42Å; V275-I278 PolarHBondContact O-N 3.28Å; Q276-I278 PolarHBondContact O-N 3.03Å; I278-Y280 PolarHBondContact O-N 3.23Å; I278-Y280 VanDerWaalsContact O-N 3.08Å; I278-W281 HydrophobicContact CB-CB 4.01Å; I278-W281 HydrophobicContact CD1-CE3 4.12Å; I278-W281 HydrophobicContact CG2-CB 3.94Å; I278-W281 PolarHBondContact O-N 3.05Å; I278-W287 HydrophobicContact CD1-CE3 4.44Å; I278-W287 HydrophobicContact CD1-CH2 4.26Å; I278-W287 HydrophobicContact CD1-CZ3 3.89Å; I278-W287 HydrophobicContact CG2-CH2 4.45Å; I278-W287 HydrophobicContact CG2-CZ2 4.29Å
279	A	81.1	Confident	82.6	Confident	41 Å²	41	39.4 Å²	39.4	34%	0.339	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	-31	-174.5	0	0	0	0	0	114.2	E277 R282	E277-A279 PolarHBondContact O-N 2.94Å; A279-R282 VanDerWaalsContact O-CZ 3.31Å; A279-R282 PolarHBondContact O-NE 2.84Å; A279-R282 PolarHBondContact O-NH2 2.89Å
280	Y	84.6	Confident	83	Confident	48 Å²	48	39.2 Å²	39.2	19%	0.188	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-3.2	-179.4	-47.1	-57.1	0	0	0	113.7	F32 I278	F32-Y280 HydrophobicContact CE1-CD2 4.25Å; F32-Y280 HydrophobicContact CE1-CE2 4.45Å; F32-Y280 HydrophobicContact CZ-CD2 4.49Å; F32-Y280 HydrophobicContact CZ-CE2 4.31Å; I278-Y280 PolarHBondContact O-N 3.23Å; I278-Y280 VanDerWaalsContact O-N 3.08Å
281	W	88.1	Confident	83.5	Confident	7 Å²	7	37 Å²	37	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	96.6	177.7	-164.9	-1.4	0	0	0	110.1	I34 S51 L53 S274 V275 Q276 I278 L285 W287	I34-W281 HydrophobicContact CG2-CZ3 4.28Å; S51-W281 VanDerWaalsContact O-CE2 3.27Å; S51-W281 WeakPolarHBondContact O-CZ2 3.37Å; S51-W281 PolarHBondContact O-NE1 3.27Å; L53-W281 HydrophobicContact CB-CH2 4.29Å; L53-W281 HydrophobicContact CD1-CH2 3.93Å; L53-W281 HydrophobicContact CD1-CZ2 4.41Å; L53-W281 HydrophobicContact CG-CH2 3.96Å; L53-W281 HydrophobicContact CG-CZ2 4.26Å; S274-W281 WeakPolarHBondContact CA-O 3.48Å; V275-W281 HydrophobicContact CB-CB 4.17Å; V275-W281 HydrophobicContact CB-CD2 3.68Å; V275-W281 HydrophobicContact CB-CE3 4.01Å; V275-W281 HydrophobicContact CB-CG 3.73Å; V275-W281 HydrophobicContact CG1-CD2 3.61Å; V275-W281 HydrophobicContact CG1-CE3 3.68Å; V275-W281 HydrophobicContact CG1-CG 4.2Å; V275-W281 HydrophobicContact CG1-CH2 3.98Å; V275-W281 HydrophobicContact CG1-CZ2 3.92Å; V275-W281 HydrophobicContact CG1-CZ3 3.86Å; V275-W281 HydrophobicContact CG2-CG 4.34Å; V275-W281 PolarHBondContact N-O 3.19Å; Q276-W281 HydrophobicContact CB-CE3 4.46Å; Q276-W281 HydrophobicContact CB-CZ3 4.28Å; Q276-W281 HydrophobicContact CG-CE3 4.47Å; Q276-W281 HydrophobicContact CG-CZ3 3.89Å; I278-W281 HydrophobicContact CB-CB 4.01Å; I278-W281 HydrophobicContact CD1-CE3 4.12Å; I278-W281 HydrophobicContact CG2-CB 3.94Å; I278-W281 PolarHBondContact O-N 3.05Å; W281-L285 PolarHBondContact NE1-O 3.19Å; W281-W287 HydrophobicContact CB-CB 4.07Å; W281-W287 HydrophobicContact CB-CG 4.23Å; W281-W287 HydrophobicContact CD2-CB 4.19Å; W281-W287 HydrophobicContact CE3-CE3 4.33Å; W281-W287 HydrophobicContact CG-CB 3.73Å; W281-W287 HydrophobicContact CG-CG 4.36Å
282	R	86.4	Confident	84	Confident	37 Å²	37	35.8 Å²	35.8	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	142.8	-179.8	-53.4	-61.9	175.9	172.1	-3.1	110.7	Y266 A270 A279 N284 L285	Y266-R282 HydrophobicContact CD2-CG 3.74Å; Y266-R282 HydrophobicContact CE2-CG 3.43Å; Y266-R282 VanDerWaalsContact CE2-CG 3.43Å; A270-R282 PolarHBondContact O-NH1 3.42Å; A270-R282 VanDerWaalsContact O-NH1 3.15Å; A279-R282 VanDerWaalsContact O-CZ 3.31Å; A279-R282 PolarHBondContact O-NE 2.84Å; A279-R282 PolarHBondContact O-NH2 2.89Å; R282-N284 PolarHBondContact O-N 3.47Å; R282-L285 HydrophobicContact CB-CB 4.31Å; R282-L285 HydrophobicContact CB-CD1 4.05Å; R282-L285 PolarHBondContact O-N 3.45Å; R282-L285 VanDerWaalsContact O-N 3.15Å
283	V	80.6	Confident	84.6	Confident	31 Å²	31	39 Å²	39	19%	0.188	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	137.4	176.3	173.6	0	0	0	0	110.6	S273 V275 L285	S273-V283 VanDerWaalsContact O-CG2 3.27Å; S273-V283 WeakPolarHBondContact O-CG2 3.5Å; V275-V283 HydrophobicContact CG2-CB 4.41Å; V275-V283 HydrophobicContact CG2-CG2 3.76Å; V283-L285 PolarHBondContact O-N 3.47Å
284	N	79.6	Confident	85.3	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.064	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	15.3	-178.3	-58.4	-34.1	0	0	0	115.5	C237 R282	C237-N284 WeakPolarHBondContact CB-O 3.11Å; C237-N284 PolarHBondContact SG-O 3.32Å; R282-N284 PolarHBondContact O-N 3.47Å
285	L	87.8	Confident	85.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-125.1	145.8	172.6	-77.3	170.1	0	0	0	110.8	C237 F262 V265 Y266 K269 W281 R282 V283	C237-L285 HydrophobicContact CB-CD2 4.01Å; F262-L285 HydrophobicContact CE2-CD2 4.01Å; V265-L285 HydrophobicContact CG1-CD1 4.46Å; V265-L285 HydrophobicContact CG1-CD2 4.13Å; Y266-L285 HydrophobicContact CD2-CD1 4.32Å; K269-L285 HydrophobicContact CB-CD1 4.14Å; K269-L285 HydrophobicContact CD-CD1 3.68Å; K269-L285 HydrophobicContact CD-CG 3.94Å; K269-L285 HydrophobicContact CG-CD1 4.37Å; W281-L285 PolarHBondContact NE1-O 3.19Å; R282-L285 HydrophobicContact CB-CB 4.31Å; R282-L285 HydrophobicContact CB-CD1 4.05Å; R282-L285 PolarHBondContact O-N 3.45Å; R282-L285 VanDerWaalsContact O-N 3.15Å; V283-L285 PolarHBondContact O-N 3.47Å
286	P	91.1	Very high	86.1	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.032	19%	0.192	C	C	.	.			trans	-65.3	141.1	168.4	25.4	-31.2	0	0	0	111.1	F262 L288	F262-P286 HydrophobicContact CE2-CG 3.67Å; F262-P286 HydrophobicContact CZ-CG 4.03Å; P286-L288 HydrophobicContact CB-CD2 4.22Å; P286-L288 HydrophobicContact CB-CG 4.41Å; P286-L288 HydrophobicContact CG-CG 4.4Å; P286-L288 PolarHBondContact O-N 3.29Å
287	W	91	Very high	86.6	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.176	C	C	.	.			trans	-79.5	107.6	168.9	176.5	27.2	0	0	0	109.9	F32 I278 W281 F289 Y290 P402 R429	F32-W287 HydrophobicContact CB-CH2 4.09Å; F32-W287 AromaticContact CD1-CH2 3.76Å; F32-W287 HydrophobicContact CD1-CH2 3.76Å; F32-W287 AromaticContact CD1-CZ2 3.95Å; F32-W287 HydrophobicContact CD1-CZ2 3.95Å; F32-W287 HydrophobicContact CE1-CZ2 4.29Å; F32-W287 HydrophobicContact CG-CH2 4.11Å; I278-W287 HydrophobicContact CD1-CE3 4.44Å; I278-W287 HydrophobicContact CD1-CH2 4.26Å; I278-W287 HydrophobicContact CD1-CZ3 3.89Å; I278-W287 HydrophobicContact CG2-CH2 4.45Å; I278-W287 HydrophobicContact CG2-CZ2 4.29Å; W281-W287 HydrophobicContact CB-CB 4.07Å; W281-W287 HydrophobicContact CB-CG 4.23Å; W281-W287 HydrophobicContact CD2-CB 4.19Å; W281-W287 HydrophobicContact CE3-CE3 4.33Å; W281-W287 HydrophobicContact CG-CB 3.73Å; W281-W287 HydrophobicContact CG-CG 4.36Å; W287-F289 VanDerWaalsContact CD1-O 3.27Å; W287-F289 PolarHBondContact NE1-O 2.84Å; W287-Y290 HydrophobicContact CH2-CD1 4.33Å; W287-Y290 AromaticContact CH2-CE1 3.63Å; W287-Y290 HydrophobicContact CH2-CE1 3.63Å; W287-Y290 AromaticContact CH2-CZ 3.81Å; W287-Y290 AromaticContact CZ2-CD1 3.61Å; W287-Y290 HydrophobicContact CZ2-CD1 3.61Å; W287-Y290 HydrophobicContact CZ2-CD2 4.36Å; W287-Y290 AromaticContact CZ2-CE1 3.33Å; W287-Y290 HydrophobicContact CZ2-CE1 3.33Å; W287-Y290 HydrophobicContact CZ2-CE2 4.11Å; W287-Y290 HydrophobicContact CZ2-CG 4.13Å; W287-Y290 AromaticContact CZ2-CZ 3.6Å; W287-P402 HydrophobicContact CH2-CB 4.43Å; W287-P402 HydrophobicContact CH2-CG 3.68Å; W287-P402 HydrophobicContact CZ3-CB 4.23Å; W287-P402 HydrophobicContact CZ3-CG 3.67Å; W287-R429 VanDerWaalsContact CE3-NE 3.33Å; W287-R429 WeakPolarHBondContact O-CD 3.29Å
288	L	92.6	Very high	87	Confident	3 Å²	3	28 Å²	28	2%	0.016	16%	0.156	C	C	.	.			trans	-105.8	-31.1	-178.7	-63.8	-174	0	0	0	114.3	C244 V245 F262 P286 T428 R429 R430	C244-L288 HydrophobicContact CB-CD1 4.45Å; V245-L288 HydrophobicContact CG2-CD2 4.17Å; F262-L288 HydrophobicContact CD1-CD1 4.15Å; F262-L288 HydrophobicContact CD2-CD1 4.38Å; F262-L288 HydrophobicContact CE1-CB 4.43Å; F262-L288 HydrophobicContact CE1-CD1 3.75Å; F262-L288 HydrophobicContact CE1-CG 4.21Å; F262-L288 HydrophobicContact CE2-CD1 4.01Å; F262-L288 HydrophobicContact CG-CD1 4.45Å; F262-L288 HydrophobicContact CZ-CD1 3.68Å; F262-L288 HydrophobicContact CZ-CG 3.95Å; P286-L288 HydrophobicContact CB-CD2 4.22Å; P286-L288 HydrophobicContact CB-CG 4.41Å; P286-L288 HydrophobicContact CG-CG 4.4Å; P286-L288 PolarHBondContact O-N 3.29Å; L288-T428 CarbonylContact O-C 3.54Å; L288-T428 WeakPolarHBondContact O-CA 3.45Å; L288-R429 PolarHBondContact O-N 3.33Å; L288-R430 HydrophobicContact CD2-CB 3.74Å
289	F	92.3	Very high	87.2	Confident	28 Å²	28	36.1 Å²	36.1	12%	0.123	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-124.8	143.1	-169.5	-59.1	-80.1	0	0	0	112.5	H249 F262 W287 G291 Y426 T428	H249-F289 HydrophobicContact CB-CE1 3.89Å; H249-F289 HydrophobicContact CB-CZ 4.12Å; F262-F289 HydrophobicContact CD1-CE2 4.37Å; F262-F289 HydrophobicContact CE1-CE2 4.29Å; W287-F289 VanDerWaalsContact CD1-O 3.27Å; W287-F289 PolarHBondContact NE1-O 2.84Å; F289-G291 VanDerWaalsContact C-N 3.34Å; F289-G291 PolarHBondContact O-N 3.5Å; F289-Y426 HydrophobicContact CB-CE2 3.82Å; F289-Y426 WeakPolarHBondContact CB-OH 3.46Å; F289-Y426 HydrophobicContact CD1-CD1 4.13Å; F289-Y426 HydrophobicContact CD1-CD2 4.4Å; F289-Y426 AromaticContact CD1-CE1 3.5Å; F289-Y426 HydrophobicContact CD1-CE1 3.5Å; F289-Y426 VanDerWaalsContact CD1-CE1 3.5Å; F289-Y426 AromaticContact CD1-CE2 3.81Å; F289-Y426 HydrophobicContact CD1-CE2 3.81Å; F289-Y426 AromaticContact CD1-CZ 3.32Å; F289-Y426 WeakPolarHBondContact CD1-OH 3.33Å; F289-Y426 HydrophobicContact CE1-CD1 4.29Å; F289-Y426 AromaticContact CE1-CE1 3.7Å; F289-Y426 HydrophobicContact CE1-CE1 3.7Å; F289-Y426 AromaticContact CE1-CZ 3.98Å; F289-Y426 HydrophobicContact CG-CE1 4.24Å; F289-Y426 HydrophobicContact CG-CE2 4.12Å; F289-Y426 AromaticContact CG-CZ 3.65Å; F289-Y426 VanDerWaalsContact CG-OH 3.32Å; F289-Y426 WeakPolarHBondContact CG-OH 3.4Å; F289-T428 HydrophobicContact CD1-CG2 3.98Å; F289-T428 HydrophobicContact CE1-CG2 4.02Å
290	Y	90.1	Very high	87.6	Confident	5 Å²	5	34.7 Å²	34.7	2%	0.02	17%	0.174	C	C	.	.	S	Bend	trans	-93.2	63.1	172.3	-71.2	-104	0	0	0	111	F32 W287 V300 P402 P404 L427 T428 R429	F32-Y290 HydrophobicContact CD2-CD1 4.42Å; F32-Y290 HydrophobicContact CD2-CE1 4.24Å; F32-Y290 HydrophobicContact CE2-CD1 4.23Å; F32-Y290 HydrophobicContact CG-CE1 4.32Å; F32-Y290 HydrophobicContact CZ-CD1 4.32Å; W287-Y290 HydrophobicContact CH2-CD1 4.33Å; W287-Y290 AromaticContact CH2-CE1 3.63Å; W287-Y290 HydrophobicContact CH2-CE1 3.63Å; W287-Y290 AromaticContact CH2-CZ 3.81Å; W287-Y290 AromaticContact CZ2-CD1 3.61Å; W287-Y290 HydrophobicContact CZ2-CD1 3.61Å; W287-Y290 HydrophobicContact CZ2-CD2 4.36Å; W287-Y290 AromaticContact CZ2-CE1 3.33Å; W287-Y290 HydrophobicContact CZ2-CE1 3.33Å; W287-Y290 HydrophobicContact CZ2-CE2 4.11Å; W287-Y290 HydrophobicContact CZ2-CG 4.13Å; W287-Y290 AromaticContact CZ2-CZ 3.6Å; Y290-V300 HydrophobicContact CD1-CB 4.47Å; Y290-V300 HydrophobicContact CD1-CG1 3.63Å; Y290-V300 HydrophobicContact CD1-CG2 3.94Å; Y290-V300 HydrophobicContact CE1-CG1 3.88Å; Y290-V300 HydrophobicContact CG-CG1 4.38Å; Y290-V300 HydrophobicContact CG-CG2 4.33Å; Y290-P402 WeakPolarHBondContact OH-CB 3.22Å; Y290-P402 PolarHBondContact OH-O 3.46Å; Y290-P404 HydrophobicContact CD2-CB 4.45Å; Y290-P404 HydrophobicContact CE1-CB 4.47Å; Y290-P404 HydrophobicContact CE1-CG 4.11Å; Y290-P404 HydrophobicContact CE2-CB 4.07Å; Y290-P404 HydrophobicContact CE2-CG 4.47Å; Y290-L427 HydrophobicContact CD2-CB 4.09Å; Y290-L427 HydrophobicContact CG-CB 4.33Å; Y290-L427 PolarHBondContact N-O 2.76Å; Y290-T428 WeakPolarHBondContact CE2-O 3.08Å; Y290-R429 HydrophobicContact CE2-CB 4.07Å
291	G	86.9	Confident	87.8	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	144.3	156.7	-176.5	0	0	0	0	0	112.3	F289 Y426	F289-G291 VanDerWaalsContact C-N 3.34Å; F289-G291 PolarHBondContact O-N 3.5Å; G291-Y426 PolarHBondContact O-OH 3.31Å
292	D	83.1	Confident	87.7	Confident	80 Å²	80	36.4 Å²	36.4	43%	0.428	18%	0.184	S	C	.	.	S	Bend	trans	-85	-18.2	170.5	-60.3	-40.9	0	0	0	111.9	Y266	Y266-D292 VanDerWaalsContact CE1-OD1 3.24Å; Y266-D292 WeakPolarHBondContact CE1-OD1 3.46Å; Y266-D292 PolarHBondContact OH-OD1 3.4Å
293	E	85	Confident	87.5	Confident	130 Å²	130	37.4 Å²	37.4	61%	0.607	19%	0.194	S	C	*	.	S	Bend	trans	-140.9	155.7	179.5	-71.8	-171.9	176.1	0	0	111.1
294	P	88.6	Confident	87.7	Confident	37 Å²	37	38.2 Å²	38.2	24%	0.24	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	156	174.6	24.9	-34.4	0	0	0	112.9	Y412 I417 N424 Y426	P294-Y412 HydrophobicContact CG-CD2 4.49Å; P294-Y412 HydrophobicContact CG-CE1 4.25Å; P294-Y412 HydrophobicContact CG-CE2 4.24Å; P294-I417 HydrophobicContact CB-CG1 4.21Å; P294-N424 WeakPolarHBondContact CB-O 3.27Å; P294-Y426 HydrophobicContact CB-CG 4.37Å
295	G	88	Confident	88.1	Confident	24 Å²	24	39.9 Å²	39.9	25%	0.247	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	7.2	172.3	0	0	0	0	0	116.5	R423 W425	G295-R423 WeakPolarHBondContact CA-O 3.42Å; G295-W425 PolarHBondContact N-O 3Å
296	L	88.9	Confident	88.2	Confident	42 Å²	42	40 Å²	40	22%	0.22	21%	0.21	C	C	.	.			trans	-90	3.6	174.6	-63.8	175	0	0	0	113.8	S298 R299	L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S298 PolarHBondContact O-N 3.42Å; L296-R299 WeakPolarHBondContact O-CB 3.47Å; L296-R299 PolarHBondContact O-N 2.8Å; L296-R299 VanDerWaalsContact O-N 3.08Å
297	A	90.5	Very high	88	Confident	2 Å²	2	43.8 Å²	43.8	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-38.5	-173.2	0	0	0	0	0	114.4	R299 V300 L301 M422 W425 L427	A297-R299 VanDerWaalsContact C-N 3.26Å; A297-R299 PolarHBondContact O-N 3.25Å; A297-V300 PolarHBondContact O-N 3.02Å; A297-V300 VanDerWaalsContact O-N 3.16Å; A297-L301 WeakPolarHBondContact O-CB 3.42Å; A297-L301 WeakPolarHBondContact O-CG 3.33Å; A297-L301 PolarHBondContact O-N 3.23Å; A297-M422 HydrophobicContact CB-CG 4.11Å; A297-W425 HydrophobicContact CB-CB 3.76Å; A297-W425 HydrophobicContact CB-CE3 4.27Å; A297-L427 HydrophobicContact CB-CD1 3.73Å; A297-L427 HydrophobicContact CB-CD2 4.44Å; A297-L427 HydrophobicContact CB-CG 3.87Å
298	S	88.3	Confident	87.7	Confident	50 Å²	50	44.6 Å²	44.6	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-33.4	178.7	58.2	0	0	0	0	112.7	L296 V300 L301 Q302	L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S298 PolarHBondContact O-N 3.42Å; S298-V300 VanDerWaalsContact C-N 3.29Å; S298-V300 PolarHBondContact O-N 3.04Å; S298-L301 PolarHBondContact O-N 3.35Å; S298-Q302 WeakPolarHBondContact O-CB 3.48Å; S298-Q302 PolarHBondContact O-N 2.98Å
299	R	87.3	Confident	87.5	Confident	172 Å²	172	47.2 Å²	47.2	65%	0.649	26%	0.256	S	S	*	.	H	α-helix	trans	-67.4	-33.2	177.7	-64.6	-173.9	-178.1	179.6	0.5	112	L296 A297 T303	L296-R299 WeakPolarHBondContact O-CB 3.47Å; L296-R299 PolarHBondContact O-N 2.8Å; L296-R299 VanDerWaalsContact O-N 3.08Å; A297-R299 VanDerWaalsContact C-N 3.26Å; A297-R299 PolarHBondContact O-N 3.25Å; R299-T303 VanDerWaalsContact C-OG1 3.3Å; R299-T303 VanDerWaalsContact CA-OG1 3.26Å; R299-T303 WeakPolarHBondContact CA-OG1 3.28Å; R299-T303 WeakPolarHBondContact O-CB 3.48Å; R299-T303 PolarHBondContact O-OG1 3.43Å
300	V	88.1	Confident	87.4	Confident	12 Å²	12	46 Å²	46	7%	0.073	25%	0.25	C	S	.	.	H	α-helix	trans	-79.2	-40.9	179	-176.1	0	0	0	0	110.7	F32 Y290 A297 S298 P404 L427 P474	F32-V300 HydrophobicContact CD2-CG1 4.44Å; F32-V300 HydrophobicContact CE2-CG1 4.23Å; F32-V300 HydrophobicContact CE2-CG2 4.13Å; Y290-V300 HydrophobicContact CD1-CB 4.47Å; Y290-V300 HydrophobicContact CD1-CG1 3.63Å; Y290-V300 HydrophobicContact CD1-CG2 3.94Å; Y290-V300 HydrophobicContact CE1-CG1 3.88Å; Y290-V300 HydrophobicContact CG-CG1 4.38Å; Y290-V300 HydrophobicContact CG-CG2 4.33Å; A297-V300 PolarHBondContact O-N 3.02Å; A297-V300 VanDerWaalsContact O-N 3.16Å; S298-V300 VanDerWaalsContact C-N 3.29Å; S298-V300 PolarHBondContact O-N 3.04Å; V300-P404 HydrophobicContact CG1-CB 4.12Å; V300-P404 HydrophobicContact CG1-CG 3.51Å; V300-L427 HydrophobicContact CB-CD1 4.06Å; V300-L427 HydrophobicContact CG1-CD1 4.27Å; V300-L427 HydrophobicContact CG2-CD1 4.41Å; V300-P474 WeakPolarHBondContact O-CG 3.48Å
301	L	90.3	Very high	87.3	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-96.2	-17	-168.5	-63.4	174.8	0	0	0	114.8	A297 S298 P404 M422 W425 L427 F473 L476	A297-L301 WeakPolarHBondContact O-CB 3.42Å; A297-L301 WeakPolarHBondContact O-CG 3.33Å; A297-L301 PolarHBondContact O-N 3.23Å; S298-L301 PolarHBondContact O-N 3.35Å; L301-P404 HydrophobicContact CD2-CB 4.15Å; L301-P404 HydrophobicContact CD2-CG 3.99Å; L301-M422 HydrophobicContact CD1-CE 4.19Å; L301-W425 HydrophobicContact CD1-CE3 4.42Å; L301-W425 HydrophobicContact CD1-CZ3 4.25Å; L301-L427 HydrophobicContact CD1-CD1 3.96Å; L301-L427 HydrophobicContact CD2-CD1 4.39Å; L301-L427 HydrophobicContact CG-CD1 3.94Å; L301-F473 WeakPolarHBondContact O-CB 3.37Å; L301-F473 WeakPolarHBondContact O-CG 3.36Å; L301-L476 HydrophobicContact CD1-CD1 3.99Å; L301-L476 HydrophobicContact CD1-CD2 4.14Å; L301-L476 HydrophobicContact CD1-CG 4.49Å; L301-L476 HydrophobicContact CD2-CB 4.18Å; L301-L476 HydrophobicContact CD2-CD1 4.1Å
302	Q	86.3	Confident	87.4	Confident	84 Å²	84	45.8 Å²	45.8	39%	0.393	25%	0.249	S	C	.	.	S	Bend	trans	-133	1.1	-170.2	-62.4	-176.9	-18.6	0	0	114.8	S298 F473	S298-Q302 WeakPolarHBondContact O-CB 3.48Å; S298-Q302 PolarHBondContact O-N 2.98Å; Q302-F473 WeakPolarHBondContact O-CE1 3.36Å
303	T	81.2	Confident	87.4	Confident	58 Å²	58	46 Å²	46	36%	0.356	24%	0.244	S	C	.	.	S	Bend	trans	-84.6	-57.6	-177.9	-45.8	0	0	0	0	111.8	C29 R299	C29-T303 HydrophobicContact CB-CG2 4.3Å; R299-T303 VanDerWaalsContact C-OG1 3.3Å; R299-T303 VanDerWaalsContact CA-OG1 3.26Å; R299-T303 WeakPolarHBondContact CA-OG1 3.28Å; R299-T303 WeakPolarHBondContact O-CB 3.48Å; R299-T303 PolarHBondContact O-OG1 3.43Å
304	D	84.2	Confident	87.3	Confident	49 Å²	49	42 Å²	42	26%	0.262	24%	0.237	S	C	.	.	S	Bend	trans	-116.8	123.4	-170	-67.4	-55.3	0	0	0	111.3	Q31 P474	Q31-D304 HydrophobicContact CG-CB 4.14Å; D304-P474 WeakPolarHBondContact O-CD 3.23Å
305	P	88.3	Confident	86.8	Confident	47 Å²	47	52.3 Å²	52.3	31%	0.305	27%	0.271	S	S	.	.			trans	-61.4	148.3	170.8	-24.5	35.4	0	0	0	112.5	V464 L471 I472	P305-V464 HydrophobicContact CB-CG2 3.95Å; P305-V464 HydrophobicContact CG-CG1 4.46Å; P305-V464 HydrophobicContact CG-CG2 3.95Å; P305-L471 HydrophobicContact CB-CB 4.43Å; P305-I472 WeakPolarHBondContact CA-O 3.19Å
306	V	89.4	Confident	86.3	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.024	29%	0.289	C	S	.	.			trans	-69.4	134.6	170.4	-176.8	0	0	0	0	108.9	T308 L392 L401 I472 P474	V306-T308 PolarHBondContact O-N 2.94Å; V306-L392 HydrophobicContact CG1-CD2 3.43Å; V306-L392 VanDerWaalsContact CG1-CD2 3.43Å; V306-L401 HydrophobicContact CB-CD2 4.44Å; V306-L401 HydrophobicContact CG1-CD2 4.03Å; V306-L401 HydrophobicContact CG2-CD2 3.57Å; V306-I472 HydrophobicContact CB-CG1 4.07Å; V306-I472 HydrophobicContact CG2-CD1 4.47Å; V306-I472 HydrophobicContact CG2-CG1 4.14Å; V306-I472 PolarHBondContact N-O 2.87Å; V306-P474 HydrophobicContact CG2-CG 4.25Å
307	P	86.9	Confident	86	Confident	84 Å²	84	59.8 Å²	59.8	55%	0.545	30%	0.302	S	S	.	.	S	Bend	trans	-77.2	39.5	-179.8	34.9	-38.3	0	0	0	112.5	I33 L392	I33-P307 HydrophobicContact CD1-CG 4.12Å; P307-L392 HydrophobicContact CG-CD1 3.97Å
308	T	86.1	Confident	85.9	Confident	17 Å²	17	62.3 Å²	62.3	10%	0.104	32%	0.315	C	S	.	.			trans	-126	124.2	176.8	-56.6	0	0	0	0	108.6	V306 F310 M390 L392	V306-T308 PolarHBondContact O-N 2.94Å; T308-F310 HydrophobicContact CG2-CE2 4.05Å; T308-F310 HydrophobicContact CG2-CZ 4.13Å; T308-M390 HydrophobicContact CG2-CE 4.29Å; T308-L392 WeakPolarHBondContact OG1-CD2 3.38Å
309	V	87.9	Confident	85.9	Confident	59 Å²	59	60.9 Å²	60.9	36%	0.358	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-96.7	127.9	178.6	164.2	0	0	0	0	109.6	N318 E469 L471	V309-N318 PolarHBondContact O-ND2 3.5Å; V309-E469 WeakPolarHBondContact CG1-O 3.45Å; V309-L471 HydrophobicContact CG2-CD2 3.56Å; V309-L471 HydrophobicContact CG2-CG 4.27Å
310	F	89.6	Confident	86.1	Confident	1 Å²	1	57 Å²	57	0%	0.004	30%	0.296	C	S	.	.			trans	-99.8	137.7	173.2	-69.8	-82.9	0	0	0	111.6	T308 N318 I321 F361 M390 G470 I472 V585	T308-F310 HydrophobicContact CG2-CE2 4.05Å; T308-F310 HydrophobicContact CG2-CZ 4.13Å; F310-N318 WeakPolarHBondContact CA-O 3.41Å; F310-N318 WeakPolarHBondContact CD1-O 3.24Å; F310-I321 HydrophobicContact CE1-CG1 4.22Å; F310-F361 HydrophobicContact CB-CD1 3.64Å; F310-F361 HydrophobicContact CB-CD2 4.48Å; F310-F361 HydrophobicContact CB-CE1 3.72Å; F310-F361 HydrophobicContact CB-CG 4.08Å; F310-F361 HydrophobicContact CB-CZ 4.16Å; F310-F361 HydrophobicContact CD1-CB 3.6Å; F310-F361 AromaticContact CD1-CD1 3.89Å; F310-F361 HydrophobicContact CD1-CD1 3.89Å; F310-F361 AromaticContact CD1-CD2 3.68Å; F310-F361 HydrophobicContact CD1-CD2 3.68Å; F310-F361 HydrophobicContact CD1-CE2 4.36Å; F310-F361 AromaticContact CD1-CG 3.42Å; F310-F361 HydrophobicContact CD1-CG 3.42Å; F310-F361 VanDerWaalsContact CD1-CG 3.42Å; F310-F361 AromaticContact CD2-CD2 3.99Å; F310-F361 HydrophobicContact CD2-CD2 3.99Å; F310-F361 AromaticContact CD2-CE2 3.88Å; F310-F361 HydrophobicContact CD2-CE2 3.88Å; F310-F361 HydrophobicContact CD2-CG 4.37Å; F310-F361 HydrophobicContact CD2-CZ 4.17Å; F310-F361 HydrophobicContact CE1-CB 3.87Å; F310-F361 AromaticContact CE1-CD2 3.79Å; F310-F361 HydrophobicContact CE1-CD2 3.79Å; F310-F361 AromaticContact CE1-CG 3.88Å; F310-F361 HydrophobicContact CE1-CG 3.88Å; F310-F361 HydrophobicContact CE2-CD2 4.09Å; F310-F361 HydrophobicContact CE2-CE2 4.14Å; F310-F361 HydrophobicContact CG-CB 4.36Å; F310-F361 AromaticContact CG-CD1 3.8Å; F310-F361 HydrophobicContact CG-CD1 3.8Å; F310-F361 AromaticContact CG-CD2 3.77Å; F310-F361 HydrophobicContact CG-CD2 3.77Å; F310-F361 HydrophobicContact CG-CE1 4.04Å; F310-F361 AromaticContact CG-CE2 3.99Å; F310-F361 HydrophobicContact CG-CE2 3.99Å; F310-F361 AromaticContact CG-CG 3.69Å; F310-F361 HydrophobicContact CG-CG 3.69Å; F310-F361 HydrophobicContact CG-CZ 4.12Å; F310-F361 AromaticContact CZ-CD2 3.97Å; F310-F361 HydrophobicContact CZ-CD2 3.97Å; F310-F361 HydrophobicContact CZ-CE2 4.47Å; F310-M390 HydrophobicContact CE2-CE 3.94Å; F310-M390 HydrophobicContact CZ-CE 3.56Å; F310-G470 PolarHBondContact N-O 3.41Å; F310-G470 VanDerWaalsContact N-O 3.11Å; F310-I472 HydrophobicContact CD2-CD1 4.27Å; F310-I472 HydrophobicContact CD2-CG1 4.39Å; F310-I472 HydrophobicContact CD2-CG2 4.24Å; F310-I472 HydrophobicContact CE2-CD1 3.58Å; F310-I472 HydrophobicContact CE2-CG1 4.08Å; F310-I472 HydrophobicContact CZ-CD1 4.47Å; F310-V585 HydrophobicContact CB-CG2 3.98Å; F310-V585 WeakPolarHBondContact O-CG2 3.35Å
311	S	89.3	Confident	86.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-146.1	132	-179.3	179.6	0	0	0	0	110	R313 N316 N318 T319 Q583	S311-R313 PolarHBondContact OG-O 3.48Å; S311-N316 WeakPolarHBondContact CB-O 3.4Å; S311-N318 PolarHBondContact N-O 3.43Å; S311-N318 CarbonylContact O-C 3.36Å; S311-N318 PolarHBondContact O-N 2.79Å; S311-T319 VanDerWaalsContact O-CG2 3.31Å; S311-T319 WeakPolarHBondContact O-CG2 3.38Å; S311-Q583 CarbonylContact C-O 3.54Å; S311-Q583 PolarHBondContact OG-O 3.44Å
312	F	87.5	Confident	86.3	Confident	3 Å²	3	60 Å²	60	1%	0.013	31%	0.31	C	S	.	.	S	Bend	trans	-82.2	-26.5	-178.6	-61.7	-39.8	0	0	0	113.2	T319 F361 Q582 Q583 V585 P701	F312-T319 HydrophobicContact CD1-CG2 3.91Å; F312-F361 AromaticContact CE1-CD1 3.76Å; F312-F361 HydrophobicContact CE1-CD1 3.76Å; F312-F361 HydrophobicContact CE1-CE1 4.29Å; F312-F361 WeakPolarHBondContact CE1-O 3.3Å; F312-F361 HydrophobicContact CZ-CD1 4.25Å; F312-F361 HydrophobicContact CZ-CE1 4.34Å; F312-Q582 HydrophobicContact CD2-CG 3.62Å; F312-Q582 HydrophobicContact CE2-CG 4.03Å; F312-Q583 PolarHBondContact N-O 3.32Å; F312-V585 HydrophobicContact CD1-CG2 4.24Å; F312-V585 HydrophobicContact CD2-CG2 4.21Å; F312-V585 HydrophobicContact CE1-CG2 3.89Å; F312-V585 HydrophobicContact CE2-CG1 4.44Å; F312-V585 HydrophobicContact CE2-CG2 3.84Å; F312-V585 HydrophobicContact CG-CG2 4.39Å; F312-V585 HydrophobicContact CZ-CG1 4.34Å; F312-V585 HydrophobicContact CZ-CG2 3.67Å; F312-P701 HydrophobicContact CB-CB 4.17Å; F312-P701 HydrophobicContact CD1-CB 3.64Å; F312-P701 HydrophobicContact CD1-CG 3.65Å; F312-P701 HydrophobicContact CD2-CB 3.47Å; F312-P701 VanDerWaalsContact CD2-CB 3.47Å; F312-P701 HydrophobicContact CD2-CG 4.39Å; F312-P701 HydrophobicContact CE1-CB 3.78Å; F312-P701 HydrophobicContact CE1-CG 3.71Å; F312-P701 HydrophobicContact CE2-CB 3.64Å; F312-P701 HydrophobicContact CE2-CG 4.46Å; F312-P701 HydrophobicContact CG-CB 3.5Å; F312-P701 HydrophobicContact CG-CG 4.02Å; F312-P701 HydrophobicContact CZ-CB 3.79Å; F312-P701 HydrophobicContact CZ-CG 4.14Å
313	R	83.8	Confident	86.7	Confident	86 Å²	86	56 Å²	56	33%	0.325	29%	0.291	S	S	.	.	S	Bend	trans	-141.8	170.6	-174	-55.9	-178.2	-177.7	-150.9	-5.2	112.6	S311 K580 Q583 S703	S311-R313 PolarHBondContact OG-O 3.48Å; R313-K580 PolarHBondContact NH2-O 3.32Å; R313-Q583 HydrophobicContact CB-CG 4.32Å; R313-Q583 PolarHBondContact N-O 3.4Å; R313-Q583 VanDerWaalsContact O-CG 3.24Å; R313-Q583 WeakPolarHBondContact O-CG 3.49Å; R313-S703 PolarHBondContact NH2-OG 3.14Å
314	G	82.8	Confident	87.3	Confident	44 Å²	44	53.8 Å²	53.8	45%	0.454	28%	0.277	S	S	.	.	S	Bend	trans	87.7	-174	173.6	0	0	0	0	0	113.7	N316 Q317	G314-N316 PolarHBondContact O-N 2.94Å; G314-Q317 WeakPolarHBondContact O-CB 3.48Å; G314-Q317 PolarHBondContact O-N 2.97Å
315	R	78.8	Confident	87.8	Confident	254 Å²	254	51.6 Å²	51.6	96%	0.958	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.1	-176.2	-66.8	-177.2	-178.8	178.5	0.1	113.6
316	N	76.4	Confident	88.1	Confident	117 Å²	117	49.3 Å²	49.3	63%	0.626	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	31	179.5	-59	-12	0	0	0	111.3	S311 G314 N318	S311-N316 WeakPolarHBondContact CB-O 3.4Å; G314-N316 PolarHBondContact O-N 2.94Å; N316-N318 PolarHBondContact O-N 3.41Å
317	Q	83.9	Confident	88.3	Confident	106 Å²	106	49.1 Å²	49.1	50%	0.495	25%	0.25	S	C	.	.			trans	-58	124.2	178	-179.7	-179.7	-3.8	0	0	109.8	G314 T319	G314-Q317 WeakPolarHBondContact O-CB 3.48Å; G314-Q317 PolarHBondContact O-N 2.97Å; Q317-T319 HydrophobicContact CG-CG2 4.35Å
318	N	88.4	Confident	88.7	Confident	55 Å²	55	45.3 Å²	45.3	29%	0.294	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-143	101	175.7	-177.2	22.1	0	0	0	108.4	V309 F310 S311 N316	V309-N318 PolarHBondContact O-ND2 3.5Å; F310-N318 WeakPolarHBondContact CA-O 3.41Å; F310-N318 WeakPolarHBondContact CD1-O 3.24Å; S311-N318 PolarHBondContact N-O 3.43Å; S311-N318 CarbonylContact O-C 3.36Å; S311-N318 PolarHBondContact O-N 2.79Å; N316-N318 PolarHBondContact O-N 3.41Å
319	T	88.6	Confident	89.1	Confident	21 Å²	21	45.4 Å²	45.4	13%	0.129	22%	0.224	C	C	.	.			trans	-121.3	0	178	59.2	0	0	0	0	112.2	S311 F312 Q317 S360 F361 W702	S311-T319 VanDerWaalsContact O-CG2 3.31Å; S311-T319 WeakPolarHBondContact O-CG2 3.38Å; F312-T319 HydrophobicContact CD1-CG2 3.91Å; Q317-T319 HydrophobicContact CG-CG2 4.35Å; T319-S360 CarbonylContact O-C 3.57Å; T319-S360 WeakPolarHBondContact O-CA 3.2Å; T319-F361 WeakPolarHBondContact O-CB 3.38Å; T319-F361 PolarHBondContact O-N 3.26Å; T319-W702 HydrophobicContact CG2-CH2 4.25Å
320	N	89.8	Confident	89.4	Confident	89 Å²	89	42.6 Å²	42.6	48%	0.476	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-86.7	124.2	-174.7	-168.6	14.4	0	0	0	110.2	Q322	N320-Q322 PolarHBondContact ND2-NE2 3.34Å
321	I	91.8	Very high	89.5	Confident	4 Å²	4	49 Å²	49	2%	0.021	23%	0.231	C	C	.	.			trans	-97.8	111.8	173.7	-58.8	167	0	0	0	107.4	F310 L323 F359 F361 F461 M500 Y502	F310-I321 HydrophobicContact CE1-CG1 4.22Å; I321-L323 HydrophobicContact CG2-CD2 4.02Å; I321-L323 HydrophobicContact CG2-CG 3.99Å; I321-F359 HydrophobicContact CB-CB 4.38Å; I321-F359 WeakPolarHBondContact CB-O 3.32Å; I321-F359 PolarHBondContact N-O 3.42Å; I321-F361 HydrophobicContact CD1-CB 4.05Å; I321-F361 HydrophobicContact CD1-CD2 4.17Å; I321-F361 HydrophobicContact CG1-CB 4.04Å; I321-F361 HydrophobicContact CG1-CD2 4.41Å; I321-F461 HydrophobicContact CD1-CE1 4.28Å; I321-F461 HydrophobicContact CD1-CE2 3.97Å; I321-F461 HydrophobicContact CD1-CZ 3.74Å; I321-F461 HydrophobicContact CG1-CZ 4.37Å; I321-F461 HydrophobicContact CG2-CE1 4.48Å; I321-F461 HydrophobicContact CG2-CZ 3.93Å; I321-M500 HydrophobicContact CD1-CE 4.04Å; I321-Y502 HydrophobicContact CD1-CE1 4.38Å; I321-Y502 WeakPolarHBondContact CD1-OH 3.48Å
322	Q	91.8	Very high	89.6	Confident	78 Å²	78	49.1 Å²	49.1	36%	0.364	23%	0.233	S	C	.	.			trans	-98.9	112.8	176.5	-67.7	-174.8	-10.7	0	0	109.9	N320 D391	N320-Q322 PolarHBondContact ND2-NE2 3.34Å; Q322-D391 HydrophobicContact CB-CB 3.98Å; Q322-D391 PolarHBondContact O-N 3.46Å
323	L	94	Very high	89.7	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.7	175.2	-62.5	-172.9	0	0	0	110.6	I321 Q339 V340 F359 Y389 M390 L403 I459	I321-L323 HydrophobicContact CG2-CD2 4.02Å; I321-L323 HydrophobicContact CG2-CG 3.99Å; L323-Q339 PolarHBondContact O-NE2 2.85Å; L323-V340 HydrophobicContact CB-CB 3.7Å; L323-V340 HydrophobicContact CB-CG1 4.16Å; L323-V340 HydrophobicContact CB-CG2 3.98Å; L323-V340 HydrophobicContact CD1-CG1 4.46Å; L323-V340 WeakPolarHBondContact O-CB 3.33Å; L323-V340 PolarHBondContact O-N 3.23Å; L323-F359 HydrophobicContact CD1-CD1 4.42Å; L323-F359 HydrophobicContact CD1-CE1 4.02Å; L323-Y389 CarbonylContact C-O 3.44Å; L323-Y389 VanDerWaalsContact CA-O 3.27Å; L323-Y389 WeakPolarHBondContact CA-O 3.44Å; L323-M390 HydrophobicContact CD2-CB 3.98Å; L323-M390 HydrophobicContact CD2-CG 4.36Å; L323-L403 HydrophobicContact CD1-CD2 4.43Å; L323-L403 HydrophobicContact CD2-CD1 4.14Å; L323-L403 HydrophobicContact CD2-CD2 4.19Å; L323-I459 HydrophobicContact CD1-CD1 3.58Å
324	L	94.1	Very high	90.1	Very high	10 Å²	10	50 Å²	50	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.2	-179.6	-169.6	73.9	0	0	0	109.1	F36 W337 Y389 L400	F36-L324 HydrophobicContact CD2-CD2 3.95Å; F36-L324 HydrophobicContact CE2-CD2 3.48Å; F36-L324 VanDerWaalsContact CE2-CD2 3.48Å; F36-L324 HydrophobicContact CZ-CD2 4.23Å; L324-W337 HydrophobicContact CD1-CB 4.43Å; L324-W337 HydrophobicContact CD2-CB 4.46Å; L324-W337 HydrophobicContact CD2-CD2 3.99Å; L324-W337 HydrophobicContact CD2-CE3 3.48Å; L324-W337 VanDerWaalsContact CD2-CE3 3.48Å; L324-W337 HydrophobicContact CD2-CG 4.43Å; L324-W337 HydrophobicContact CD2-CZ3 3.94Å; L324-W337 HydrophobicContact CG-CE3 3.77Å; L324-W337 HydrophobicContact CG-CZ3 4.33Å; L324-Y389 PolarHBondContact N-O 3.11Å; L324-Y389 PolarHBondContact O-N 3.04Å; L324-L400 HydrophobicContact CD2-CD1 4.29Å; L324-L400 HydrophobicContact CD2-CD2 4.4Å
325	A	94.5	Very high	90.5	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.9	177.5	0	0	0	0	0	111.4	W337 E338 V340 Y386 D387 I388	A325-W337 CarbonylContact O-C 3.37Å; A325-W337 WeakPolarHBondContact O-CA 3.47Å; A325-E338 PolarHBondContact N-O 3.49Å; A325-E338 PolarHBondContact O-N 3.12Å; A325-V340 HydrophobicContact CB-CG2 4.05Å; A325-Y386 HydrophobicContact CB-CD1 4.11Å; A325-D387 CarbonylContact C-O 3.41Å; A325-D387 VanDerWaalsContact CA-O 3.31Å; A325-D387 WeakPolarHBondContact CA-O 3.42Å; A325-I388 HydrophobicContact CB-CG1 4.38Å
326	A	94.2	Very high	91.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.8	162.2	0	0	0	0	0	108.6	Y328 F334 W337 Y386 D387 Y389	A326-Y328 HydrophobicContact CB-CE2 3.76Å; A326-F334 HydrophobicContact CB-CE2 3.98Å; A326-W337 HydrophobicContact CB-CE3 3.91Å; A326-W337 HydrophobicContact CB-CH2 3.95Å; A326-W337 HydrophobicContact CB-CZ3 3.58Å; A326-Y386 WeakPolarHBondContact O-CA 3.44Å; A326-D387 HydrophobicContact CB-CB 4.32Å; A326-D387 PolarHBondContact N-O 3.46Å; A326-D387 PolarHBondContact O-N 3.03Å; A326-Y389 HydrophobicContact CB-CE2 4.07Å
327	V	94.9	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.6	-173	-168.7	0	0	0	0	110.8	L335 R336 E338 L384 F385 Y386	V327-L335 HydrophobicContact CG1-CD1 4.22Å; V327-L335 PolarHBondContact O-N 3Å; V327-R336 HydrophobicContact CB-CG 4.39Å; V327-R336 HydrophobicContact CG2-CG 4.33Å; V327-R336 PolarHBondContact N-O 3.1Å; V327-E338 HydrophobicContact CG2-CB 3.7Å; V327-E338 WeakPolarHBondContact CG2-OE2 3.42Å; V327-L384 HydrophobicContact CG1-CB 4.31Å; V327-L384 HydrophobicContact CG1-CD1 4.37Å; V327-L384 HydrophobicContact CG1-CD2 4.48Å; V327-F385 CarbonylContact C-O 3.52Å; V327-F385 WeakPolarHBondContact CA-O 3.34Å; V327-Y386 HydrophobicContact CG1-CD1 4.37Å; V327-Y386 HydrophobicContact CG1-CE1 4.02Å; V327-Y386 HydrophobicContact CG2-CD1 3.92Å; V327-Y386 HydrophobicContact CG2-CE1 3.95Å
328	Y	94.6	Very high	92.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147	178.4	-54.8	-96.6	0	0	0	111	I50 A326 E333 F334 F385 R430	I50-Y328 HydrophobicContact CG2-CE1 3.78Å; A326-Y328 HydrophobicContact CB-CE2 3.76Å; Y328-E333 VanDerWaalsContact CA-O 3.25Å; Y328-E333 WeakPolarHBondContact CA-O 3.35Å; Y328-F334 HydrophobicContact CD1-CB 4.07Å; Y328-F334 HydrophobicContact CD1-CD2 4.35Å; Y328-F334 HydrophobicContact CE1-CB 3.9Å; Y328-F334 AromaticContact CE1-CD2 3.81Å; Y328-F334 HydrophobicContact CE1-CD2 3.81Å; Y328-F334 HydrophobicContact CE1-CG 4.36Å; Y328-F334 AromaticContact CZ-CD2 3.93Å; Y328-F385 PolarHBondContact N-O 2.66Å; Y328-F385 PolarHBondContact O-N 3.01Å; Y328-R430 VanDerWaalsContact CE2-NH2 3.26Å
329	N	94.9	Very high	92.4	Very high	18 Å²	18	38.6 Å²	38.6	10%	0.096	18%	0.177	C	C	.	.			trans	-84.1	171.6	170.3	71.1	12.6	0	0	0	111.6	N242 R331 G332 E333 L335	N242-N329 PolarHBondContact ND2-O 3Å; N329-R331 PolarHBondContact O-N 2.98Å; N329-R331 WeakPolarHBondContact OD1-CA 3.29Å; N329-R331 PolarHBondContact OD1-N 3.44Å; N329-R331 VanDerWaalsContact OD1-N 3.11Å; N329-G332 PolarHBondContact O-N 3.08Å; N329-G332 PolarHBondContact OD1-N 3.45Å; N329-E333 PolarHBondContact N-O 2.65Å; N329-E333 PolarHBondContact ND2-OE2 3.49Å; N329-E333 WeakPolarHBondContact OD1-CB 3.34Å; N329-E333 PolarHBondContact OD1-N 3.36Å; N329-L335 HydrophobicContact CB-CD1 4.21Å; N329-L335 HydrophobicContact CB-CD2 4.25Å; N329-L335 HydrophobicContact CB-CG 4.36Å
330	V	93.9	Very high	92.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26	179.6	72.5	0	0	0	0	114.1	W216 L246 G332 P383 F385 L437	W216-V330 HydrophobicContact CD2-CG2 4.43Å; W216-V330 HydrophobicContact CH2-CG1 4Å; W216-V330 HydrophobicContact CZ2-CB 4.33Å; W216-V330 HydrophobicContact CZ2-CG1 3.88Å; W216-V330 HydrophobicContact CZ2-CG2 3.73Å; L246-V330 HydrophobicContact CD1-CG2 4.39Å; V330-G332 PolarHBondContact O-N 3.13Å; V330-P383 HydrophobicContact CB-CG 4.32Å; V330-P383 HydrophobicContact CG2-CG 4.19Å; V330-F385 HydrophobicContact CB-CE2 4.16Å; V330-F385 HydrophobicContact CG2-CE2 4.24Å; V330-L437 HydrophobicContact CB-CD2 4.43Å; V330-L437 HydrophobicContact CG1-CD2 4.26Å; V330-L437 HydrophobicContact CG2-CD2 3.78Å
331	R	92.1	Very high	91.7	Very high	134 Å²	134	35 Å²	35	51%	0.506	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.2	177.6	-63.6	171.5	-162.2	158.4	10.1	113.3	W216 T235 N329 E382	W216-R331 HydrophobicContact CH2-CG 3.85Å; W216-R331 HydrophobicContact CZ2-CG 4.44Å; T235-R331 WeakPolarHBondContact CG2-O 3.18Å; N329-R331 PolarHBondContact O-N 2.98Å; N329-R331 WeakPolarHBondContact OD1-CA 3.29Å; N329-R331 PolarHBondContact OD1-N 3.44Å; N329-R331 VanDerWaalsContact OD1-N 3.11Å; R331-E382 IonicContact NH2-OE1 2.72Å
332	G	89.9	Confident	90.6	Very high	3 Å²	3	37 Å²	37	3%	0.031	19%	0.185	C	C	.	.	S	Bend	trans	86.8	11.3	177.6	0	0	0	0	0	114.9	Q238 N329 V330	Q238-G332 VanDerWaalsContact CB-CA 3.48Å; Q238-G332 WeakPolarHBondContact CB-O 3.44Å; N329-G332 PolarHBondContact O-N 3.08Å; N329-G332 PolarHBondContact OD1-N 3.45Å; V330-G332 PolarHBondContact O-N 3.13Å
333	E	90.9	Very high	89.4	Confident	94 Å²	94	37.3 Å²	37.3	44%	0.439	20%	0.196	S	C	.	.			trans	-83.5	136.9	176	-56.6	174.8	144.4	0	0	110.5	T235 Y328 N329	T235-E333 HydrophobicContact CG2-CG 3.91Å; Y328-E333 VanDerWaalsContact CA-O 3.25Å; Y328-E333 WeakPolarHBondContact CA-O 3.35Å; N329-E333 PolarHBondContact N-O 2.65Å; N329-E333 PolarHBondContact ND2-OE2 3.49Å; N329-E333 WeakPolarHBondContact OD1-CB 3.34Å; N329-E333 PolarHBondContact OD1-N 3.36Å
334	F	91.9	Very high	88.6	Confident	13 Å²	13	39.6 Å²	39.6	6%	0.057	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.9	171	175.6	-98.8	0	0	0	109.9	P39 F48 I50 L69 A326 Y328 R336 W337	P39-F334 HydrophobicContact CG-CE1 4.11Å; F48-F334 HydrophobicContact CE1-CD1 4.47Å; F48-F334 HydrophobicContact CE1-CE1 4.15Å; F48-F334 HydrophobicContact CE1-CZ 4.27Å; I50-F334 HydrophobicContact CD1-CB 3.62Å; I50-F334 HydrophobicContact CG1-CB 3.8Å; I50-F334 HydrophobicContact CG1-CG 4.28Å; I50-F334 HydrophobicContact CG2-CB 3.91Å; L69-F334 HydrophobicContact CD2-CD1 4.14Å; A326-F334 HydrophobicContact CB-CE2 3.98Å; Y328-F334 HydrophobicContact CD1-CB 4.07Å; Y328-F334 HydrophobicContact CD1-CD2 4.35Å; Y328-F334 HydrophobicContact CE1-CB 3.9Å; Y328-F334 AromaticContact CE1-CD2 3.81Å; Y328-F334 HydrophobicContact CE1-CD2 3.81Å; Y328-F334 HydrophobicContact CE1-CG 4.36Å; Y328-F334 AromaticContact CZ-CD2 3.93Å; F334-R336 VanDerWaalsContact CZ-C 3.41Å; F334-W337 AromaticContact CZ-CD1 3.89Å; F334-W337 HydrophobicContact CZ-CD2 4.38Å; F334-W337 HydrophobicContact CZ-CG 4.15Å; F334-W337 AromaticContact CZ-NE1 3.97Å
335	L	91.4	Very high	88.2	Confident	75 Å²	75	39.5 Å²	39.5	39%	0.393	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-57.7	-179.4	-60.1	-178.2	0	0	0	111.3	V327 N329 L384	V327-L335 HydrophobicContact CG1-CD1 4.22Å; V327-L335 PolarHBondContact O-N 3Å; N329-L335 HydrophobicContact CB-CD1 4.21Å; N329-L335 HydrophobicContact CB-CD2 4.25Å; N329-L335 HydrophobicContact CB-CG 4.36Å; L335-L384 HydrophobicContact CD1-CD2 3.79Å
336	R	91.9	Very high	87.9	Confident	105 Å²	105	39.6 Å²	39.6	40%	0.396	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	164.1	-173.7	62.2	-175.3	-177.2	-78.2	-2.6	112.8	V327 F334 E338	V327-R336 HydrophobicContact CB-CG 4.39Å; V327-R336 HydrophobicContact CG2-CG 4.33Å; V327-R336 PolarHBondContact N-O 3.1Å; F334-R336 VanDerWaalsContact CZ-C 3.41Å; R336-E338 HydrophobicContact CG-CB 4.49Å; R336-E338 IonicContact CZ-OE1 3.21Å; R336-E338 IonicContact CZ-OE2 2.66Å; R336-E338 IonicContact NE-OE1 2.69Å; R336-E338 PolarHBondContact NE-OE1 3.08Å; R336-E338 IonicContact NE-OE2 3.77Å; R336-E338 VanDerWaalsContact NH2-CD 3.3Å; R336-E338 IonicContact NH2-OE1 2.69Å; R336-E338 PolarHBondContact NH2-OE1 3.3Å; R336-E338 IonicContact NH2-OE2 2.89Å; R336-E338 PolarHBondContact NH2-OE2 3.43Å; R336-E338 VanDerWaalsContact NH2-OE2 3.14Å
337	W	91.8	Very high	87.7	Confident	39 Å²	39	41 Å²	41	15%	0.148	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.4	155.6	-72	113.7	0	0	0	109.2	F36 K37 F48 L53 L324 A325 A326 F334 Y389 L400	F36-W337 HydrophobicContact CE2-CD2 4.01Å; F36-W337 AromaticContact CE2-CE2 3.95Å; F36-W337 HydrophobicContact CE2-CG 4.08Å; F36-W337 HydrophobicContact CE2-CZ2 4.47Å; F36-W337 AromaticContact CE2-NE1 3.94Å; K37-W337 PolarHBondContact O-NE1 3.29Å; F48-W337 HydrophobicContact CZ-CZ2 4.45Å; F48-W337 AromaticContact CZ-NE1 3.91Å; L53-W337 HydrophobicContact CD1-CH2 4.31Å; L53-W337 HydrophobicContact CD2-CZ2 4.32Å; L324-W337 HydrophobicContact CD1-CB 4.43Å; L324-W337 HydrophobicContact CD2-CB 4.46Å; L324-W337 HydrophobicContact CD2-CD2 3.99Å; L324-W337 HydrophobicContact CD2-CE3 3.48Å; L324-W337 VanDerWaalsContact CD2-CE3 3.48Å; L324-W337 HydrophobicContact CD2-CG 4.43Å; L324-W337 HydrophobicContact CD2-CZ3 3.94Å; L324-W337 HydrophobicContact CG-CE3 3.77Å; L324-W337 HydrophobicContact CG-CZ3 4.33Å; A325-W337 CarbonylContact O-C 3.37Å; A325-W337 WeakPolarHBondContact O-CA 3.47Å; A326-W337 HydrophobicContact CB-CE3 3.91Å; A326-W337 HydrophobicContact CB-CH2 3.95Å; A326-W337 HydrophobicContact CB-CZ3 3.58Å; F334-W337 AromaticContact CZ-CD1 3.89Å; F334-W337 HydrophobicContact CZ-CD2 4.38Å; F334-W337 HydrophobicContact CZ-CG 4.15Å; F334-W337 AromaticContact CZ-NE1 3.97Å; W337-Y389 HydrophobicContact CH2-CD2 4.22Å; W337-Y389 AromaticContact CH2-CE2 3.81Å; W337-Y389 HydrophobicContact CH2-CE2 3.81Å; W337-Y389 AromaticContact CZ3-CD2 3.73Å; W337-Y389 HydrophobicContact CZ3-CD2 3.73Å; W337-Y389 AromaticContact CZ3-CE2 3.6Å; W337-Y389 HydrophobicContact CZ3-CE2 3.6Å; W337-L400 HydrophobicContact CH2-CD1 3.88Å; W337-L400 HydrophobicContact CZ3-CD1 4.12Å
338	E	92.4	Very high	87.4	Confident	26 Å²	26	41.2 Å²	41.2	12%	0.121	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.1	-175.9	-179.9	155.6	-118.9	0	0	110.8	A325 V327 R336 V340 N344	A325-E338 PolarHBondContact N-O 3.49Å; A325-E338 PolarHBondContact O-N 3.12Å; V327-E338 HydrophobicContact CG2-CB 3.7Å; V327-E338 WeakPolarHBondContact CG2-OE2 3.42Å; R336-E338 HydrophobicContact CG-CB 4.49Å; R336-E338 IonicContact CZ-OE1 3.21Å; R336-E338 IonicContact CZ-OE2 2.66Å; R336-E338 IonicContact NE-OE1 2.69Å; R336-E338 PolarHBondContact NE-OE1 3.08Å; R336-E338 IonicContact NE-OE2 3.77Å; R336-E338 VanDerWaalsContact NH2-CD 3.3Å; R336-E338 IonicContact NH2-OE1 2.69Å; R336-E338 PolarHBondContact NH2-OE1 3.3Å; R336-E338 IonicContact NH2-OE2 2.89Å; R336-E338 PolarHBondContact NH2-OE2 3.43Å; R336-E338 VanDerWaalsContact NH2-OE2 3.14Å; E338-V340 PolarHBondContact O-N 2.98Å; E338-N344 HydrophobicContact CG-CB 4.37Å; E338-N344 WeakPolarHBondContact CG-ND2 3.46Å; E338-N344 PolarHBondContact OE1-ND2 3.18Å
339	Q	91.1	Very high	87	Confident	92 Å²	92	46.2 Å²	46.2	43%	0.43	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.5	175.1	-172.6	65.5	32.3	0	0	109.2	L323 N344	L323-Q339 PolarHBondContact O-NE2 2.85Å; Q339-N344 PolarHBondContact O-ND2 3.26Å
340	V	88.8	Confident	86.3	Confident	10 Å²	10	47.2 Å²	47.2	6%	0.061	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	133.5	176	178.6	0	0	0	0	108.6	L323 A325 E338 L345 F359	L323-V340 HydrophobicContact CB-CB 3.7Å; L323-V340 HydrophobicContact CB-CG1 4.16Å; L323-V340 HydrophobicContact CB-CG2 3.98Å; L323-V340 HydrophobicContact CD1-CG1 4.46Å; L323-V340 WeakPolarHBondContact O-CB 3.33Å; L323-V340 PolarHBondContact O-N 3.23Å; A325-V340 HydrophobicContact CB-CG2 4.05Å; E338-V340 PolarHBondContact O-N 2.98Å; V340-L345 HydrophobicContact CG1-CB 3.82Å; V340-L345 HydrophobicContact CG1-CD2 3.81Å; V340-L345 HydrophobicContact CG1-CG 4.48Å; V340-F359 HydrophobicContact CG1-CE1 3.87Å; V340-F359 HydrophobicContact CG1-CZ 3.78Å
341	G	75.6	Confident	85.8	Confident	26 Å²	26	52.2 Å²	52.2	27%	0.268	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	126.6	-12.6	177.8	0	0	0	0	0	115.4	S343	G341-S343 PolarHBondContact O-N 3.23Å
342	G	67.3	Low	85.4	Confident	46 Å²	46	49.5 Å²	49.5	47%	0.474	30%	0.296	S	S	.	.	S	Bend	trans	-95.5	58.3	172.4	0	0	0	0	0	112.9	N344	G342-N344 VanDerWaalsContact C-N 3.26Å; G342-N344 PolarHBondContact O-N 2.83Å; G342-N344 PolarHBondContact O-OD1 3.46Å
343	S	66.6	Low	85	Confident	84 Å²	84	52.3 Å²	52.3	59%	0.587	32%	0.319	S	S	*	.	S	Bend	trans	61.1	20.3	-177.6	53.5	0	0	0	0	116.9	G341	G341-S343 PolarHBondContact O-N 3.23Å
344	N	78.5	Confident	84.8	Confident	48 Å²	48	51.5 Å²	51.5	26%	0.257	31%	0.314	S	S	.	.	S	Bend	trans	-91.3	-35.1	-175.3	-59.2	-22.8	0	0	0	113.9	E338 Q339 G342 L433	E338-N344 HydrophobicContact CG-CB 4.37Å; E338-N344 WeakPolarHBondContact CG-ND2 3.46Å; E338-N344 PolarHBondContact OE1-ND2 3.18Å; Q339-N344 PolarHBondContact O-ND2 3.26Å; G342-N344 VanDerWaalsContact C-N 3.26Å; G342-N344 PolarHBondContact O-N 2.83Å; G342-N344 PolarHBondContact O-OD1 3.46Å; N344-L433 WeakPolarHBondContact O-CD1 3.26Å
345	L	84.8	Confident	84.6	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.042	31%	0.314	C	S	.	.	S	Bend	trans	-108.2	-25.7	179.5	-168.2	68.5	0	0	0	112.3	V340 I388 M431 L433 V457 I459 F498	V340-L345 HydrophobicContact CG1-CB 3.82Å; V340-L345 HydrophobicContact CG1-CD2 3.81Å; V340-L345 HydrophobicContact CG1-CG 4.48Å; L345-I388 HydrophobicContact CD1-CD1 3.71Å; L345-I388 HydrophobicContact CD2-CD1 3.99Å; L345-M431 HydrophobicContact CD1-CE 3.76Å; L345-M431 HydrophobicContact CD1-SD 4.11Å; L345-L433 HydrophobicContact CD1-CD2 4.29Å; L345-V457 HydrophobicContact CD1-CG1 4.44Å; L345-V457 HydrophobicContact CD2-CG1 4.39Å; L345-V457 HydrophobicContact CG-CG1 4.29Å; L345-I459 HydrophobicContact CD2-CD1 4.28Å; L345-F498 HydrophobicContact CD2-CE2 3.76Å; L345-F498 HydrophobicContact CD2-CZ 4.39Å; L345-F498 HydrophobicContact CG-CE2 3.96Å
346	Q	88.4	Confident	84.5	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.028	32%	0.316	C	S	.	.			trans	-92.5	105.6	175.2	-65.2	176.7	18.2	0	0	108	C348 Q355 A358 F498	Q346-C348 VanDerWaalsContact C-N 3.3Å; Q346-Q355 PolarHBondContact NE2-O 2.8Å; Q346-A358 VanDerWaalsContact NE2-CB 3.33Å; Q346-F498 HydrophobicContact CG-CB 4.31Å; Q346-F498 HydrophobicContact CG-CD1 3.68Å; Q346-F498 HydrophobicContact CG-CD2 3.9Å; Q346-F498 HydrophobicContact CG-CE1 3.91Å; Q346-F498 HydrophobicContact CG-CE2 4.14Å; Q346-F498 HydrophobicContact CG-CG 3.68Å; Q346-F498 HydrophobicContact CG-CZ 4.14Å
347	L	89.1	Confident	84.3	Confident	29 Å²	29	46.3 Å²	46.3	15%	0.152	31%	0.305	C	S	.	.			trans	-74.4	-21.1	-179.2	-67.1	173.2	0	0	0	112.9	L371 L433 V434 I496	L347-L371 HydrophobicContact CB-CD1 3.95Å; L347-L433 HydrophobicContact CD1-CB 4.34Å; L347-L433 HydrophobicContact CD1-CD2 4.43Å; L347-L433 HydrophobicContact CD2-CB 4.36Å; L347-L433 HydrophobicContact CD2-CD1 4.04Å; L347-L433 HydrophobicContact CG-CD1 4.44Å; L347-V434 HydrophobicContact CD1-CG2 4.44Å; L347-I496 HydrophobicContact CB-CD1 4.02Å; L347-I496 HydrophobicContact CB-CG2 4.19Å; L347-I496 HydrophobicContact CD1-CD1 3.61Å; L347-I496 HydrophobicContact CD1-CG2 4.18Å; L347-I496 HydrophobicContact CG-CD1 4.47Å
348	C	89.3	Confident	84.3	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.034	30%	0.298	C	S	.	.	S	Bend	trans	-70.7	130.8	179.8	-68.3	0	0	0	0	111.8	Q346 G350 Q355 E367 C369	Q346-C348 VanDerWaalsContact C-N 3.3Å; C348-G350 PolarHBondContact O-N 3.03Å; C348-Q355 PolarHBondContact O-NE2 3.06Å; C348-E367 HydrophobicContact CB-CG 3.97Å; C348-C369 WeakPolarHBondContact CA-SG 3.46Å; C348-C369 HydrophobicContact CB-CB 3.82Å; C348-C369 WeakPolarHBondContact CB-SG 3.35Å; C348-C369 WeakPolarHBondContact SG-CB 3.37Å; C348-C369 PolarHBondContact SG-N 3.26Å; C348-C369 VanDerWaalsContact SG-N 3.38Å; C348-C369 CovalentContact SG-SG 2.04Å; C348-C369 PolarHBondContact SG-SG 3.35Å
349	P	86.3	Confident	84.2	Confident	108 Å²	108	44 Å²	44	70%	0.701	30%	0.296	S	S	*	.			trans	-71	127.7	175.3	28.6	-33.2	0	0	0	110.1
350	G	80.1	Confident	84.3	Confident	40 Å²	40	40.7 Å²	40.7	41%	0.412	28%	0.283	S	S	.	.			trans	-156	167.8	-177.3	0	0	0	0	0	113.4	C348 A352	C348-G350 PolarHBondContact O-N 3.03Å; G350-A352 PolarHBondContact O-N 3.41Å
351	L	83.4	Confident	84.4	Confident	105 Å²	105	40.2 Å²	40.2	55%	0.55	28%	0.28	S	S	.	.			trans	-64.4	131	170.6	-73.9	162.9	0	0	0	109	A353 K354 Q355	L351-A353 PolarHBondContact O-N 3.44Å; L351-K354 HydrophobicContact CB-CD 4.49Å; L351-K354 HydrophobicContact CB-CG 4.29Å; L351-K354 HydrophobicContact CD1-CD 4.47Å; L351-K354 WeakPolarHBondContact O-CA 3.38Å; L351-K354 WeakPolarHBondContact O-CB 3.49Å; L351-K354 PolarHBondContact O-N 3.39Å; L351-Q355 PolarHBondContact O-N 2.95Å; L351-Q355 VanDerWaalsContact O-N 3.14Å
352	A	83.6	Confident	85	Confident	77 Å²	77	39 Å²	39	64%	0.636	27%	0.268	S	S	*	.	H	α-helix	trans	-53	-34.9	-179.7	0	0	0	0	0	113	G350 K354 Q355 A356	G350-A352 PolarHBondContact O-N 3.41Å; A352-K354 VanDerWaalsContact C-N 3.34Å; A352-K354 PolarHBondContact O-N 2.98Å; A352-Q355 PolarHBondContact O-N 3.16Å; A352-A356 VanDerWaalsContact O-CB 3.24Å; A352-A356 WeakPolarHBondContact O-CB 3.44Å; A352-A356 PolarHBondContact O-N 3.08Å
353	A	82.3	Confident	86.2	Confident	62 Å²	62	37.2 Å²	37.2	51%	0.512	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-34.2	175.9	0	0	0	0	0	113.5	L351	L351-A353 PolarHBondContact O-N 3.44Å
354	K	86.2	Confident	87.4	Confident	77 Å²	77	33.8 Å²	33.8	34%	0.335	22%	0.224	S	C	.	.	H	α-helix	trans	-73.9	-47.2	176	-68.8	-174.5	176.4	-178.5	0	110.6	L351 A352 A356 A357 Y365 E710	L351-K354 HydrophobicContact CB-CD 4.49Å; L351-K354 HydrophobicContact CB-CG 4.29Å; L351-K354 HydrophobicContact CD1-CD 4.47Å; L351-K354 WeakPolarHBondContact O-CA 3.38Å; L351-K354 WeakPolarHBondContact O-CB 3.49Å; L351-K354 PolarHBondContact O-N 3.39Å; A352-K354 VanDerWaalsContact C-N 3.34Å; A352-K354 PolarHBondContact O-N 2.98Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 3.06Å; K354-A357 WeakPolarHBondContact O-CB 3.12Å; K354-A357 PolarHBondContact O-N 2.89Å; K354-Y365 VanDerWaalsContact O-CE2 3.23Å; K354-Y365 WeakPolarHBondContact O-CE2 3.47Å; K354-E710 WeakPolarHBondContact CG-O 3.46Å
355	Q	87.9	Confident	88.1	Confident	10 Å²	10	31.6 Å²	31.6	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-36.3	178.1	-66.9	-173.3	-31.4	0	0	112.7	Q346 C348 L351 A352 A357 A358	Q346-Q355 PolarHBondContact NE2-O 2.8Å; C348-Q355 PolarHBondContact O-NE2 3.06Å; L351-Q355 PolarHBondContact O-N 2.95Å; L351-Q355 VanDerWaalsContact O-N 3.14Å; A352-Q355 PolarHBondContact O-N 3.16Å; Q355-A357 PolarHBondContact O-N 3.21Å; Q355-A358 VanDerWaalsContact O-CB 3.3Å; Q355-A358 WeakPolarHBondContact O-CB 3.24Å; Q355-A358 PolarHBondContact O-N 3.28Å
356	A	88.3	Confident	88.5	Confident	54 Å²	54	36.8 Å²	36.8	45%	0.446	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-25.4	175.3	0	0	0	0	0	113.3	A352 K354 A358 F359	A352-A356 VanDerWaalsContact O-CB 3.24Å; A352-A356 WeakPolarHBondContact O-CB 3.44Å; A352-A356 PolarHBondContact O-N 3.08Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 3.06Å; A356-A358 PolarHBondContact O-N 2.82Å; A356-F359 PolarHBondContact O-N 3.19Å; A356-F359 VanDerWaalsContact O-N 3.11Å
357	A	88.9	Confident	88.6	Confident	20 Å²	20	38 Å²	38	17%	0.165	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64	-25.6	179	0	0	0	0	0	112.7	K354 Q355 F359 S360 Y365 Y712	K354-A357 WeakPolarHBondContact O-CB 3.12Å; K354-A357 PolarHBondContact O-N 2.89Å; Q355-A357 PolarHBondContact O-N 3.21Å; A357-F359 PolarHBondContact O-N 2.9Å; A357-S360 PolarHBondContact O-N 3.28Å; A357-Y365 HydrophobicContact CB-CD2 4.26Å; A357-Y365 HydrophobicContact CB-CE2 4.39Å; A357-Y712 HydrophobicContact CB-CD1 4.21Å; A357-Y712 HydrophobicContact CB-CG 4.15Å
358	A	90.9	Very high	88.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56	-35.5	173.2	0	0	0	0	0	112.8	Q346 Q355 A356 S360 Y365 F498 M500	Q346-A358 VanDerWaalsContact NE2-CB 3.33Å; Q355-A358 VanDerWaalsContact O-CB 3.3Å; Q355-A358 WeakPolarHBondContact O-CB 3.24Å; Q355-A358 PolarHBondContact O-N 3.28Å; A356-A358 PolarHBondContact O-N 2.82Å; A358-S360 VanDerWaalsContact C-N 3.27Å; A358-S360 PolarHBondContact O-N 2.59Å; A358-Y365 HydrophobicContact CB-CD1 3.64Å; A358-Y365 HydrophobicContact CB-CD2 3.97Å; A358-Y365 HydrophobicContact CB-CE1 3.94Å; A358-Y365 HydrophobicContact CB-CE2 4.24Å; A358-Y365 HydrophobicContact CB-CG 3.65Å; A358-F498 HydrophobicContact CB-CE1 3.88Å; A358-M500 HydrophobicContact CB-CG 3.89Å; A358-M500 VanDerWaalsContact O-CE 3.27Å; A358-M500 WeakPolarHBondContact O-CE 3.27Å; A358-M500 WeakPolarHBondContact O-CG 3.43Å
359	F	91.8	Very high	89	Confident	16 Å²	16	41.9 Å²	41.9	7%	0.07	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-92.4	15	-175.6	-54.3	-74.1	0	0	0	112.7	I321 L323 V340 A356 A357	I321-F359 HydrophobicContact CB-CB 4.38Å; I321-F359 WeakPolarHBondContact CB-O 3.32Å; I321-F359 PolarHBondContact N-O 3.42Å; L323-F359 HydrophobicContact CD1-CD1 4.42Å; L323-F359 HydrophobicContact CD1-CE1 4.02Å; V340-F359 HydrophobicContact CG1-CE1 3.87Å; V340-F359 HydrophobicContact CG1-CZ 3.78Å; A356-F359 PolarHBondContact O-N 3.19Å; A356-F359 VanDerWaalsContact O-N 3.11Å; A357-F359 PolarHBondContact O-N 2.9Å
360	S	91.4	Very high	89.4	Confident	24 Å²	24	42.1 Å²	42.1	17%	0.168	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-97.2	107.3	169.5	-175.5	0	0	0	0	110.6	T319 A357 A358 G362 T363 Y502	T319-S360 CarbonylContact O-C 3.57Å; T319-S360 WeakPolarHBondContact O-CA 3.2Å; A357-S360 PolarHBondContact O-N 3.28Å; A358-S360 VanDerWaalsContact C-N 3.27Å; A358-S360 PolarHBondContact O-N 2.59Å; S360-G362 PolarHBondContact O-N 3.39Å; S360-T363 WeakPolarHBondContact O-CB 3.35Å; S360-T363 PolarHBondContact O-N 3.11Å; S360-T363 VanDerWaalsContact O-N 3.12Å; S360-T363 PolarHBondContact O-OG1 2.86Å; S360-Y502 PolarHBondContact O-OH 3.2Å
361	F	91.1	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	135.7	178.6	-170.6	-90.8	0	0	0	112.1	F310 F312 T319 I321 T363 F461 I472 Y502 V585	F310-F361 HydrophobicContact CB-CD1 3.64Å; F310-F361 HydrophobicContact CB-CD2 4.48Å; F310-F361 HydrophobicContact CB-CE1 3.72Å; F310-F361 HydrophobicContact CB-CG 4.08Å; F310-F361 HydrophobicContact CB-CZ 4.16Å; F310-F361 HydrophobicContact CD1-CB 3.6Å; F310-F361 AromaticContact CD1-CD1 3.89Å; F310-F361 HydrophobicContact CD1-CD1 3.89Å; F310-F361 AromaticContact CD1-CD2 3.68Å; F310-F361 HydrophobicContact CD1-CD2 3.68Å; F310-F361 HydrophobicContact CD1-CE2 4.36Å; F310-F361 AromaticContact CD1-CG 3.42Å; F310-F361 HydrophobicContact CD1-CG 3.42Å; F310-F361 VanDerWaalsContact CD1-CG 3.42Å; F310-F361 AromaticContact CD2-CD2 3.99Å; F310-F361 HydrophobicContact CD2-CD2 3.99Å; F310-F361 AromaticContact CD2-CE2 3.88Å; F310-F361 HydrophobicContact CD2-CE2 3.88Å; F310-F361 HydrophobicContact CD2-CG 4.37Å; F310-F361 HydrophobicContact CD2-CZ 4.17Å; F310-F361 HydrophobicContact CE1-CB 3.87Å; F310-F361 AromaticContact CE1-CD2 3.79Å; F310-F361 HydrophobicContact CE1-CD2 3.79Å; F310-F361 AromaticContact CE1-CG 3.88Å; F310-F361 HydrophobicContact CE1-CG 3.88Å; F310-F361 HydrophobicContact CE2-CD2 4.09Å; F310-F361 HydrophobicContact CE2-CE2 4.14Å; F310-F361 HydrophobicContact CG-CB 4.36Å; F310-F361 AromaticContact CG-CD1 3.8Å; F310-F361 HydrophobicContact CG-CD1 3.8Å; F310-F361 AromaticContact CG-CD2 3.77Å; F310-F361 HydrophobicContact CG-CD2 3.77Å; F310-F361 HydrophobicContact CG-CE1 4.04Å; F310-F361 AromaticContact CG-CE2 3.99Å; F310-F361 HydrophobicContact CG-CE2 3.99Å; F310-F361 AromaticContact CG-CG 3.69Å; F310-F361 HydrophobicContact CG-CG 3.69Å; F310-F361 HydrophobicContact CG-CZ 4.12Å; F310-F361 AromaticContact CZ-CD2 3.97Å; F310-F361 HydrophobicContact CZ-CD2 3.97Å; F310-F361 HydrophobicContact CZ-CE2 4.47Å; F312-F361 AromaticContact CE1-CD1 3.76Å; F312-F361 HydrophobicContact CE1-CD1 3.76Å; F312-F361 HydrophobicContact CE1-CE1 4.29Å; F312-F361 WeakPolarHBondContact CE1-O 3.3Å; F312-F361 HydrophobicContact CZ-CD1 4.25Å; F312-F361 HydrophobicContact CZ-CE1 4.34Å; T319-F361 WeakPolarHBondContact O-CB 3.38Å; T319-F361 PolarHBondContact O-N 3.26Å; I321-F361 HydrophobicContact CD1-CB 4.05Å; I321-F361 HydrophobicContact CD1-CD2 4.17Å; I321-F361 HydrophobicContact CG1-CB 4.04Å; I321-F361 HydrophobicContact CG1-CD2 4.41Å; F361-T363 VanDerWaalsContact C-N 3.3Å; F361-T363 PolarHBondContact O-N 2.82Å; F361-F461 HydrophobicContact CD2-CD1 4.29Å; F361-F461 HydrophobicContact CE2-CB 4.09Å; F361-F461 AromaticContact CE2-CD1 3.94Å; F361-F461 HydrophobicContact CE2-CD1 3.94Å; F361-F461 HydrophobicContact CE2-CG 4.12Å; F361-I472 HydrophobicContact CE2-CG2 3.93Å; F361-I472 HydrophobicContact CZ-CG2 3.83Å; F361-Y502 WeakPolarHBondContact CA-OH 3.22Å; F361-Y502 HydrophobicContact CB-CE1 4.45Å; F361-Y502 HydrophobicContact CD2-CD1 4.02Å; F361-Y502 AromaticContact CD2-CE1 3.46Å; F361-Y502 HydrophobicContact CD2-CE1 3.46Å; F361-Y502 VanDerWaalsContact CD2-CE1 3.46Å; F361-Y502 HydrophobicContact CE1-CD1 4.48Å; F361-Y502 AromaticContact CE2-CD1 3.75Å; F361-Y502 HydrophobicContact CE2-CD1 3.75Å; F361-Y502 AromaticContact CE2-CE1 3.68Å; F361-Y502 HydrophobicContact CE2-CE1 3.68Å; F361-Y502 HydrophobicContact CG-CD1 4.49Å; F361-Y502 AromaticContact CG-CE1 3.93Å; F361-Y502 HydrophobicContact CG-CE1 3.93Å; F361-Y502 HydrophobicContact CZ-CD1 4Å; F361-Y502 HydrophobicContact CZ-CE1 4.3Å; F361-V585 HydrophobicContact CD1-CG2 4.14Å; F361-V585 HydrophobicContact CE1-CB 4.3Å; F361-V585 HydrophobicContact CE1-CG1 3.95Å; F361-V585 HydrophobicContact CE1-CG2 3.68Å
362	G	88.9	Confident	90.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-8.7	-178.6	0	0	0	0	0	115.8	S360 Y579 P701	S360-G362 PolarHBondContact O-N 3.39Å; G362-Y579 PolarHBondContact O-OH 3.3Å; G362-P701 WeakPolarHBondContact O-CD 3.02Å
363	T	91.4	Very high	91.1	Very high	7 Å²	7	34 Å²	34	4%	0.043	21%	0.206	C	C	.	.			trans	-91.6	109.2	176.1	-58	0	0	0	0	109.7	S360 F361 Y365 Y502 D700 P714	S360-T363 WeakPolarHBondContact O-CB 3.35Å; S360-T363 PolarHBondContact O-N 3.11Å; S360-T363 VanDerWaalsContact O-N 3.12Å; S360-T363 PolarHBondContact O-OG1 2.86Å; F361-T363 VanDerWaalsContact C-N 3.3Å; F361-T363 PolarHBondContact O-N 2.82Å; T363-Y365 PolarHBondContact O-N 3.27Å; T363-Y365 VanDerWaalsContact O-N 3.1Å; T363-Y502 VanDerWaalsContact O-CE2 3.25Å; T363-Y502 WeakPolarHBondContact O-CE2 3.46Å; T363-D700 HydrophobicContact CG2-CB 4.15Å; T363-P714 HydrophobicContact CG2-CG 3.77Å
364	A	92.3	Very high	91.6	Very high	12 Å²	12	32.5 Å²	32.5	10%	0.099	19%	0.193	C	C	.	.			trans	-63.8	114	176.3	0	0	0	0	0	109.5	R699 P714	A364-R699 HydrophobicContact CB-CB 3.7Å; A364-R699 PolarHBondContact N-O 3.23Å; A364-P714 WeakPolarHBondContact O-CB 3.32Å
365	Y	93.2	Very high	91.9	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135	-177.8	-174.2	-92.6	0	0	0	109.8	K354 A357 A358 T363 E367 F498 A499 M500 Y712	K354-Y365 VanDerWaalsContact O-CE2 3.23Å; K354-Y365 WeakPolarHBondContact O-CE2 3.47Å; A357-Y365 HydrophobicContact CB-CD2 4.26Å; A357-Y365 HydrophobicContact CB-CE2 4.39Å; A358-Y365 HydrophobicContact CB-CD1 3.64Å; A358-Y365 HydrophobicContact CB-CD2 3.97Å; A358-Y365 HydrophobicContact CB-CE1 3.94Å; A358-Y365 HydrophobicContact CB-CE2 4.24Å; A358-Y365 HydrophobicContact CB-CG 3.65Å; T363-Y365 PolarHBondContact O-N 3.27Å; T363-Y365 VanDerWaalsContact O-N 3.1Å; Y365-E367 HydrophobicContact CE1-CB 3.65Å; Y365-E367 VanDerWaalsContact OH-CD 3.3Å; Y365-E367 PolarHBondContact OH-OE2 3.14Å; Y365-F498 AromaticContact CD1-CD1 3.82Å; Y365-F498 HydrophobicContact CD1-CD1 3.82Å; Y365-F498 HydrophobicContact CD1-CE1 4.18Å; Y365-F498 AromaticContact CE1-CD1 3.76Å; Y365-F498 HydrophobicContact CE1-CD1 3.76Å; Y365-F498 HydrophobicContact CE1-CE1 4.34Å; Y365-A499 CarbonylContact O-C 3.5Å; Y365-A499 WeakPolarHBondContact O-CA 3.42Å; Y365-M500 PolarHBondContact N-O 3.42Å; Y365-M500 PolarHBondContact O-N 3.41Å; Y365-Y712 AromaticContact CD2-CD1 3.81Å; Y365-Y712 HydrophobicContact CD2-CD1 3.81Å; Y365-Y712 HydrophobicContact CD2-CD2 4.1Å; Y365-Y712 AromaticContact CD2-CE1 3.69Å; Y365-Y712 HydrophobicContact CD2-CE1 3.69Å; Y365-Y712 AromaticContact CD2-CE2 3.98Å; Y365-Y712 HydrophobicContact CD2-CE2 3.98Å; Y365-Y712 HydrophobicContact CD2-CG 4.02Å; Y365-Y712 AromaticContact CD2-CZ 3.78Å; Y365-Y712 HydrophobicContact CE2-CD1 4.24Å; Y365-Y712 AromaticContact CE2-CD2 3.75Å; Y365-Y712 HydrophobicContact CE2-CD2 3.75Å; Y365-Y712 HydrophobicContact CE2-CE1 4.33Å; Y365-Y712 AromaticContact CE2-CE2 3.84Å; Y365-Y712 HydrophobicContact CE2-CE2 3.84Å; Y365-Y712 AromaticContact CE2-CG 3.96Å; Y365-Y712 HydrophobicContact CE2-CG 3.96Å; Y365-Y712 HydrophobicContact CG-CE1 4.4Å
366	Q	92.7	Very high	92.1	Very high	116 Å²	116	33.4 Å²	33.4	54%	0.542	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	127.8	170.6	-173	175.6	2.1	0	0	108.9	F498 Y712	Q366-F498 WeakPolarHBondContact CA-O 3.16Å; Q366-Y712 PolarHBondContact N-OH 2.8Å; Q366-Y712 PolarHBondContact O-OH 2.76Å
367	E	91.6	Very high	92.3	Very high	33 Å²	33	32.5 Å²	32.5	15%	0.154	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.2	173.8	-174.4	170.7	-150.1	0	0	109	C348 Y365 T497 F498	C348-E367 HydrophobicContact CB-CG 3.97Å; Y365-E367 HydrophobicContact CE1-CB 3.65Å; Y365-E367 VanDerWaalsContact OH-CD 3.3Å; Y365-E367 PolarHBondContact OH-OE2 3.14Å; E367-T497 WeakPolarHBondContact O-CA 3.45Å; E367-F498 PolarHBondContact N-O 3.47Å; E367-F498 PolarHBondContact O-N 3.28Å
368	S	93.3	Very high	92.4	Very high	85 Å²	85	38.3 Å²	38.3	59%	0.594	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	136	-179.4	60.2	0	0	0	0	110.6	I496	S368-I496 VanDerWaalsContact CA-O 3.24Å; S368-I496 WeakPolarHBondContact CA-O 3.27Å
369	C	93.8	Very high	92.4	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.2	178.3	65.7	0	0	0	0	110.7	C348 I496	C348-C369 WeakPolarHBondContact CA-SG 3.46Å; C348-C369 HydrophobicContact CB-CB 3.82Å; C348-C369 WeakPolarHBondContact CB-SG 3.35Å; C348-C369 WeakPolarHBondContact SG-CB 3.37Å; C348-C369 PolarHBondContact SG-N 3.26Å; C348-C369 VanDerWaalsContact SG-N 3.38Å; C348-C369 CovalentContact SG-SG 2.04Å; C348-C369 PolarHBondContact SG-SG 3.35Å; C369-I496 PolarHBondContact N-O 2.78Å; C369-I496 PolarHBondContact O-N 3.04Å
370	D	94.9	Very high	92.4	Very high	113 Å²	113	42.9 Å²	42.9	60%	0.604	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.6	172.3	-61.5	-38.6	0	0	0	109	V494 P495	D370-V494 WeakPolarHBondContact CA-O 3.26Å; D370-P495 WeakPolarHBondContact OD1-CA 3.34Å; D370-P495 WeakPolarHBondContact OD1-CB 3.41Å
371	L	93.3	Very high	92.2	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140.7	177.4	-63.7	-166.7	0	0	0	111.4	L347 L376 T493 V494 I496	L347-L371 HydrophobicContact CB-CD1 3.95Å; L371-L376 HydrophobicContact CB-CD1 4.44Å; L371-L376 HydrophobicContact CB-CD2 4.49Å; L371-L376 HydrophobicContact CB-CG 4.36Å; L371-L376 HydrophobicContact CD1-CD2 3.98Å; L371-T493 CarbonylContact O-C 3.6Å; L371-T493 WeakPolarHBondContact O-CA 3.48Å; L371-V494 PolarHBondContact N-O 2.71Å; L371-V494 PolarHBondContact O-N 3.03Å; L371-I496 HydrophobicContact CB-CD1 4.18Å; L371-I496 HydrophobicContact CD1-CD1 3.41Å; L371-I496 VanDerWaalsContact CD1-CD1 3.41Å; L371-I496 HydrophobicContact CG-CD1 3.75Å; L371-I496 HydrophobicContact CG-CG1 4.43Å
372	S	94.8	Very high	92.2	Very high	26 Å²	26	49.1 Å²	49.1	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.9	174.3	177.8	0	0	0	0	111.3	A374 D375 L376	S372-A374 VanDerWaalsContact C-N 3.26Å; S372-A374 PolarHBondContact O-N 3.15Å; S372-A374 PolarHBondContact OG-N 2.99Å; S372-D375 WeakPolarHBondContact CB-OD2 3.41Å; S372-D375 PolarHBondContact O-N 3.1Å; S372-L376 WeakPolarHBondContact O-CG 3.23Å; S372-L376 PolarHBondContact O-N 3.4Å; S372-L376 VanDerWaalsContact O-N 3.11Å
373	V	94.4	Very high	92.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-36.7	172.7	171.5	0	0	0	0	111.1	L376 L377 I451 V484 I486 Q492 V494	V373-L376 PolarHBondContact O-N 2.96Å; V373-L377 HydrophobicContact CG1-CD1 4.13Å; V373-L377 HydrophobicContact CG1-CG 4.45Å; V373-L377 WeakPolarHBondContact O-CG 3.44Å; V373-L377 PolarHBondContact O-N 3.38Å; V373-I451 HydrophobicContact CG1-CD1 4Å; V373-I451 HydrophobicContact CG2-CD1 4.32Å; V373-V484 HydrophobicContact CG2-CG1 4.38Å; V373-I486 HydrophobicContact CG1-CG1 4.38Å; V373-Q492 HydrophobicContact CB-CB 4.23Å; V373-Q492 HydrophobicContact CG2-CB 3.65Å; V373-Q492 PolarHBondContact N-O 3.14Å; V373-V494 HydrophobicContact CG2-CG2 3.98Å
374	A	92.9	Very high	92.7	Very high	29 Å²	29	51.1 Å²	51.1	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-48.2	175.7	0	0	0	0	0	111.8	S372 L376 L377 D378 I489	S372-A374 VanDerWaalsContact C-N 3.26Å; S372-A374 PolarHBondContact O-N 3.15Å; S372-A374 PolarHBondContact OG-N 2.99Å; A374-L376 VanDerWaalsContact C-N 3.32Å; A374-L376 PolarHBondContact O-N 3.45Å; A374-L377 PolarHBondContact O-N 3.01Å; A374-D378 PolarHBondContact O-N 3.39Å; A374-D378 VanDerWaalsContact O-N 3.1Å; A374-I489 HydrophobicContact CB-CG2 3.83Å; A374-I489 PolarHBondContact N-O 3.31Å
375	D	91.6	Very high	92.9	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-64.7	-37.4	179.9	-64	-19.9	0	0	0	111.4	S372 D378 S379	S372-D375 WeakPolarHBondContact CB-OD2 3.41Å; S372-D375 PolarHBondContact O-N 3.1Å; D375-D378 PolarHBondContact O-N 3.42Å; D375-S379 VanDerWaalsContact O-CB 3.23Å; D375-S379 WeakPolarHBondContact O-CB 3.36Å; D375-S379 PolarHBondContact O-N 2.92Å; D375-S379 PolarHBondContact O-OG 2.84Å
376	L	92.6	Very high	93	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-39.4	176.2	-72	172.6	0	0	0	112.2	L371 S372 V373 A374 H380 V434 I451 V453 V494	L371-L376 HydrophobicContact CB-CD1 4.44Å; L371-L376 HydrophobicContact CB-CD2 4.49Å; L371-L376 HydrophobicContact CB-CG 4.36Å; L371-L376 HydrophobicContact CD1-CD2 3.98Å; S372-L376 WeakPolarHBondContact O-CG 3.23Å; S372-L376 PolarHBondContact O-N 3.4Å; S372-L376 VanDerWaalsContact O-N 3.11Å; V373-L376 PolarHBondContact O-N 2.96Å; A374-L376 VanDerWaalsContact C-N 3.32Å; A374-L376 PolarHBondContact O-N 3.45Å; L376-H380 WeakPolarHBondContact O-CB 3.31Å; L376-H380 PolarHBondContact O-N 3.37Å; L376-V434 HydrophobicContact CB-CG1 4.48Å; L376-V434 HydrophobicContact CD2-CG1 4.45Å; L376-V434 HydrophobicContact CD2-CG2 3.96Å; L376-I451 HydrophobicContact CD1-CD1 4.44Å; L376-V453 HydrophobicContact CD1-CG1 4.49Å; L376-V453 HydrophobicContact CD1-CG2 4.07Å; L376-V494 HydrophobicContact CD1-CB 4.41Å; L376-V494 HydrophobicContact CD1-CG2 4.18Å
377	L	92.3	Very high	93.1	Very high	35 Å²	35	45.6 Å²	45.6	18%	0.183	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-36.5	177.8	-70.2	172.1	0	0	0	112.5	V373 A374 T436 P448 I451 I489	V373-L377 HydrophobicContact CG1-CD1 4.13Å; V373-L377 HydrophobicContact CG1-CG 4.45Å; V373-L377 WeakPolarHBondContact O-CG 3.44Å; V373-L377 PolarHBondContact O-N 3.38Å; A374-L377 PolarHBondContact O-N 3.01Å; L377-T436 HydrophobicContact CD2-CG2 3.81Å; L377-P448 HydrophobicContact CD2-CG 3.62Å; L377-I451 HydrophobicContact CD2-CG2 4.06Å; L377-I489 HydrophobicContact CD1-CG2 4.15Å
378	D	91.7	Very high	93.2	Very high	142 Å²	142	44.1 Å²	44.1	76%	0.759	26%	0.255	S	S	*	.	H	α-helix	trans	-76.8	-45	178.9	-169.9	53.1	0	0	0	112.1	A374 D375	A374-D378 PolarHBondContact O-N 3.39Å; A374-D378 VanDerWaalsContact O-N 3.1Å; D375-D378 PolarHBondContact O-N 3.42Å
379	S	89.9	Confident	93.3	Very high	72 Å²	72	40 Å²	40	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-74.5	-28.9	-178.6	59.9	0	0	0	0	114	D375 P381	D375-S379 VanDerWaalsContact O-CB 3.23Å; D375-S379 WeakPolarHBondContact O-CB 3.36Å; D375-S379 PolarHBondContact O-N 2.92Å; D375-S379 PolarHBondContact O-OG 2.84Å; S379-P381 VanDerWaalsContact C-CD 3.48Å; S379-P381 WeakPolarHBondContact O-CD 3.27Å
380	H	91.4	Very high	93.3	Very high	41 Å²	41	38.8 Å²	38.8	19%	0.19	22%	0.218	C	C	.	.			trans	-127.5	68.2	-177.2	-60.8	77.5	0	0	0	111.7	L376 E382 V434 T436	L376-H380 WeakPolarHBondContact O-CB 3.31Å; L376-H380 PolarHBondContact O-N 3.37Å; H380-E382 VanDerWaalsContact C-N 3.29Å; H380-E382 PolarHBondContact O-N 3.05Å; H380-V434 HydrophobicContact CB-CB 3.9Å; H380-V434 HydrophobicContact CB-CG1 4.1Å; H380-V434 HydrophobicContact CB-CG2 4.33Å; H380-T436 VanDerWaalsContact O-CG2 3.28Å; H380-T436 WeakPolarHBondContact O-CG2 3.49Å; H380-T436 PolarHBondContact O-OG1 3.48Å
381	P	88.9	Confident	93.2	Very high	77 Å²	77	34 Å²	34	50%	0.5	19%	0.192	S	C	.	.	S	Bend	trans	-67.8	-28.6	-176.8	27.6	-35.5	0	0	0	113.3	S379 T436	S379-P381 VanDerWaalsContact C-CD 3.48Å; S379-P381 WeakPolarHBondContact O-CD 3.27Å; P381-T436 PolarHBondContact O-OG1 3.45Å
382	E	91.2	Very high	93	Very high	78 Å²	78	34.1 Å²	34.1	36%	0.364	19%	0.193	S	C	.	.	S	Bend	trans	-131.8	144.7	171.7	-70.2	-172	148.6	0	0	109.9	R331 H380	R331-E382 IonicContact NH2-OE1 2.72Å; H380-E382 VanDerWaalsContact C-N 3.29Å; H380-E382 PolarHBondContact O-N 3.05Å
383	P	94.2	Very high	92.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	20%	0.197	C	C	.	.			trans	-69.4	134.4	179.1	26.5	-32.8	0	0	0	112	L246 V330 F385 V434 L437	L246-P383 HydrophobicContact CD2-CB 4.29Å; L246-P383 HydrophobicContact CD2-CG 4.24Å; V330-P383 HydrophobicContact CB-CG 4.32Å; V330-P383 HydrophobicContact CG2-CG 4.19Å; P383-F385 HydrophobicContact CB-CE2 4.23Å; P383-F385 HydrophobicContact CB-CZ 4.3Å; P383-F385 HydrophobicContact CG-CE2 4.27Å; P383-F385 HydrophobicContact CG-CZ 4.36Å; P383-V434 WeakPolarHBondContact CB-O 3.45Å; P383-L437 HydrophobicContact CG-CB 4.2Å; P383-L437 HydrophobicContact CG-CD2 4.42Å
384	L	95.3	Very high	91.2	Very high	48 Å²	48	36.6 Å²	36.6	25%	0.251	22%	0.223	S	C	.	.			trans	-101.8	144.3	168.2	-64.3	-179.7	0	0	0	110.4	V327 L335 Y386 F432	V327-L384 HydrophobicContact CG1-CB 4.31Å; V327-L384 HydrophobicContact CG1-CD1 4.37Å; V327-L384 HydrophobicContact CG1-CD2 4.48Å; L335-L384 HydrophobicContact CD1-CD2 3.79Å; L384-Y386 HydrophobicContact CB-CE2 3.96Å; L384-Y386 WeakPolarHBondContact O-CE2 3.49Å; L384-F432 WeakPolarHBondContact O-CA 3.19Å; L384-F432 VanDerWaalsContact O-CB 3.24Å; L384-F432 WeakPolarHBondContact O-CB 3.29Å
385	F	96.3	Very high	90.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.1	-178.2	-59.1	-96.3	0	0	0	110.9	N242 V245 L246 V327 Y328 V330 P383 R430 M431 F432	N242-F385 HydrophobicContact CB-CD1 4.12Å; N242-F385 HydrophobicContact CB-CD2 4.12Å; N242-F385 HydrophobicContact CB-CE1 3.82Å; N242-F385 HydrophobicContact CB-CE2 3.87Å; N242-F385 HydrophobicContact CB-CG 4.26Å; N242-F385 HydrophobicContact CB-CZ 3.69Å; N242-F385 WeakPolarHBondContact O-CE1 3.22Å; V245-F385 HydrophobicContact CB-CD1 4.1Å; V245-F385 HydrophobicContact CB-CE1 3.94Å; V245-F385 HydrophobicContact CG1-CD1 4.13Å; V245-F385 HydrophobicContact CG1-CE1 4.21Å; V245-F385 HydrophobicContact CG2-CD1 4.43Å; L246-F385 HydrophobicContact CD1-CZ 3.97Å; L246-F385 HydrophobicContact CD2-CE1 3.97Å; L246-F385 HydrophobicContact CD2-CZ 3.71Å; L246-F385 HydrophobicContact CG-CE1 3.92Å; L246-F385 HydrophobicContact CG-CZ 3.68Å; V327-F385 CarbonylContact C-O 3.52Å; V327-F385 WeakPolarHBondContact CA-O 3.34Å; Y328-F385 PolarHBondContact N-O 2.66Å; Y328-F385 PolarHBondContact O-N 3.01Å; V330-F385 HydrophobicContact CB-CE2 4.16Å; V330-F385 HydrophobicContact CG2-CE2 4.24Å; P383-F385 HydrophobicContact CB-CE2 4.23Å; P383-F385 HydrophobicContact CB-CZ 4.3Å; P383-F385 HydrophobicContact CG-CE2 4.27Å; P383-F385 HydrophobicContact CG-CZ 4.36Å; F385-R430 HydrophobicContact CB-CG 4.01Å; F385-R430 HydrophobicContact CD1-CG 4.38Å; F385-M431 CarbonylContact C-O 3.44Å; F385-M431 VanDerWaalsContact CA-O 3.28Å; F385-M431 WeakPolarHBondContact CA-O 3.46Å; F385-F432 HydrophobicContact CD1-CB 4.22Å; F385-F432 HydrophobicContact CE1-CB 4.34Å; F385-F432 HydrophobicContact CE1-CD1 4.16Å
386	Y	95.4	Very high	88.9	Confident	15 Å²	15	43.5 Å²	43.5	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.7	-173.1	-53.7	-89	0	0	0	110.2	A325 A326 V327 L384 M431 L433	A325-Y386 HydrophobicContact CB-CD1 4.11Å; A326-Y386 WeakPolarHBondContact O-CA 3.44Å; V327-Y386 HydrophobicContact CG1-CD1 4.37Å; V327-Y386 HydrophobicContact CG1-CE1 4.02Å; V327-Y386 HydrophobicContact CG2-CD1 3.92Å; V327-Y386 HydrophobicContact CG2-CE1 3.95Å; L384-Y386 HydrophobicContact CB-CE2 3.96Å; L384-Y386 WeakPolarHBondContact O-CE2 3.49Å; Y386-M431 PolarHBondContact N-O 3.35Å; Y386-M431 WeakPolarHBondContact O-CG 3.42Å; Y386-M431 PolarHBondContact O-N 3.36Å; Y386-L433 HydrophobicContact CE2-CD1 4.14Å; Y386-L433 HydrophobicContact CE2-CG 4.19Å
387	D	94.9	Very high	88.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.9	159.9	-65.4	-24.2	0	0	0	107.3	A325 A326 Y389 R429 R430	A325-D387 CarbonylContact C-O 3.41Å; A325-D387 VanDerWaalsContact CA-O 3.31Å; A325-D387 WeakPolarHBondContact CA-O 3.42Å; A326-D387 HydrophobicContact CB-CB 4.32Å; A326-D387 PolarHBondContact N-O 3.46Å; A326-D387 PolarHBondContact O-N 3.03Å; D387-Y389 HydrophobicContact CB-CE2 3.81Å; D387-Y389 VanDerWaalsContact O-CD2 3.28Å; D387-Y389 WeakPolarHBondContact O-CD2 3.33Å; D387-Y389 WeakPolarHBondContact O-CE2 3.29Å; D387-R429 IonicContact OD2-NH1 3.7Å; D387-R429 PolarHBondContact OD2-NH1 2.89Å; D387-R430 VanDerWaalsContact OD1-CA 3.27Å; D387-R430 WeakPolarHBondContact OD1-CA 3.35Å; D387-R430 WeakPolarHBondContact OD1-CB 3.26Å; D387-R430 WeakPolarHBondContact OD1-CG 3.48Å; D387-R430 IonicContact OD1-CZ 3.28Å; D387-R430 IonicContact OD1-NE 3.22Å; D387-R430 PolarHBondContact OD1-NE 3.29Å; D387-R430 IonicContact OD1-NH2 2.88Å; D387-R430 IonicContact OD2-CZ 3.79Å; D387-R430 IonicContact OD2-NE 2.91Å; D387-R430 PolarHBondContact OD2-NE 3.49Å; D387-R430 IonicContact OD2-NH2 3.59Å; D387-R430 PolarHBondContact OD2-NH2 3.28Å
388	I	95.2	Very high	87.8	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.2	-172.8	-58.3	179.4	0	0	0	110.9	A325 L345 L403 M431 M477	A325-I388 HydrophobicContact CB-CG1 4.38Å; L345-I388 HydrophobicContact CD1-CD1 3.71Å; L345-I388 HydrophobicContact CD2-CD1 3.99Å; I388-L403 HydrophobicContact CG2-CD1 4.35Å; I388-L403 HydrophobicContact CG2-CD2 4.01Å; I388-L403 PolarHBondContact O-N 3.09Å; I388-M431 HydrophobicContact CD1-SD 3.73Å; I388-M477 HydrophobicContact CD1-CE 3.84Å; I388-M477 HydrophobicContact CD1-SD 3.73Å; I388-M477 HydrophobicContact CG1-CE 4.49Å
389	Y	94.8	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.2	-179.6	-52.2	-100.8	0	0	0	111	I34 L53 L323 L324 A326 W337 D387 L400 L401 P402 L403 R429	I34-Y389 HydrophobicContact CD1-CD1 4.17Å; I34-Y389 HydrophobicContact CD1-CE1 3.56Å; I34-Y389 HydrophobicContact CG1-CE1 4.45Å; L53-Y389 WeakPolarHBondContact CD1-OH 3.48Å; L323-Y389 CarbonylContact C-O 3.44Å; L323-Y389 VanDerWaalsContact CA-O 3.27Å; L323-Y389 WeakPolarHBondContact CA-O 3.44Å; L324-Y389 PolarHBondContact N-O 3.11Å; L324-Y389 PolarHBondContact O-N 3.04Å; A326-Y389 HydrophobicContact CB-CE2 4.07Å; W337-Y389 HydrophobicContact CH2-CD2 4.22Å; W337-Y389 AromaticContact CH2-CE2 3.81Å; W337-Y389 HydrophobicContact CH2-CE2 3.81Å; W337-Y389 AromaticContact CZ3-CD2 3.73Å; W337-Y389 HydrophobicContact CZ3-CD2 3.73Å; W337-Y389 AromaticContact CZ3-CE2 3.6Å; W337-Y389 HydrophobicContact CZ3-CE2 3.6Å; D387-Y389 HydrophobicContact CB-CE2 3.81Å; D387-Y389 VanDerWaalsContact O-CD2 3.28Å; D387-Y389 WeakPolarHBondContact O-CD2 3.33Å; D387-Y389 WeakPolarHBondContact O-CE2 3.29Å; Y389-L400 HydrophobicContact CD1-CB 3.97Å; Y389-L400 HydrophobicContact CD1-CD1 4.22Å; Y389-L400 HydrophobicContact CD2-CD1 4.47Å; Y389-L400 HydrophobicContact CG-CB 4.25Å; Y389-L400 HydrophobicContact CG-CD1 4.05Å; Y389-L401 CarbonylContact C-O 3.55Å; Y389-L401 VanDerWaalsContact CA-O 3.23Å; Y389-L401 WeakPolarHBondContact CA-O 3.45Å; Y389-P402 HydrophobicContact CD1-CB 3.73Å; Y389-P402 HydrophobicContact CE1-CB 3.81Å; Y389-L403 VanDerWaalsContact C-CD1 3.5Å; Y389-R429 VanDerWaalsContact CE1-NH2 3.26Å; Y389-R429 VanDerWaalsContact CZ-NH2 3.31Å; Y389-R429 PolarHBondContact OH-NH1 3.46Å; Y389-R429 PolarHBondContact OH-NH2 3.07Å
390	M	94.1	Very high	87.9	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128	164.4	-178.7	175.9	175.5	0	0	108.8	T308 F310 L323 L392 L400 L401 L403 P475	T308-M390 HydrophobicContact CG2-CE 4.29Å; F310-M390 HydrophobicContact CE2-CE 3.94Å; F310-M390 HydrophobicContact CZ-CE 3.56Å; L323-M390 HydrophobicContact CD2-CB 3.98Å; L323-M390 HydrophobicContact CD2-CG 4.36Å; M390-L392 HydrophobicContact CE-CD2 4.46Å; M390-L392 HydrophobicContact CG-CD2 4.2Å; M390-L392 HydrophobicContact SD-CD2 4.34Å; M390-L400 WeakPolarHBondContact O-CA 3.48Å; M390-L401 HydrophobicContact CB-CB 4.4Å; M390-L401 PolarHBondContact N-O 3.42Å; M390-L401 PolarHBondContact O-N 3.4Å; M390-L403 HydrophobicContact CB-CD1 3.78Å; M390-P475 HydrophobicContact SD-CG 3.98Å
391	D	92.3	Very high	88	Confident	12 Å²	12	43.2 Å²	43.2	6%	0.064	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120	171.5	-172.7	-1.5	0	0	0	109.6	Q322 G393 R398 L400	Q322-D391 HydrophobicContact CB-CB 3.98Å; Q322-D391 PolarHBondContact O-N 3.46Å; D391-G393 VanDerWaalsContact C-N 3.32Å; D391-G393 PolarHBondContact OD1-N 3.4Å; D391-R398 IonicContact OD1-NE 2.84Å; D391-R398 IonicContact OD2-CZ 3.8Å; D391-R398 IonicContact OD2-NE 2.94Å; D391-R398 PolarHBondContact OD2-NE 3.43Å; D391-R398 IonicContact OD2-NH2 2.91Å; D391-R398 PolarHBondContact OD2-NH2 3.44Å; D391-L400 HydrophobicContact CB-CD2 4.15Å
392	L	89.9	Confident	88.2	Confident	29 Å²	29	39.7 Å²	39.7	15%	0.152	23%	0.232	C	C	.	.			trans	-88.4	-1.8	179.9	-53.2	-178.2	0	0	0	112.4	I33 V306 P307 T308 M390 K399 L401	I33-L392 HydrophobicContact CD1-CD1 4.01Å; I33-L392 HydrophobicContact CG1-CD1 4.18Å; I33-L392 HydrophobicContact CG2-CD1 4.18Å; V306-L392 HydrophobicContact CG1-CD2 3.43Å; V306-L392 VanDerWaalsContact CG1-CD2 3.43Å; P307-L392 HydrophobicContact CG-CD1 3.97Å; T308-L392 WeakPolarHBondContact OG1-CD2 3.38Å; M390-L392 HydrophobicContact CE-CD2 4.46Å; M390-L392 HydrophobicContact CG-CD2 4.2Å; M390-L392 HydrophobicContact SD-CD2 4.34Å; L392-K399 HydrophobicContact CB-CB 4.3Å; L392-K399 WeakPolarHBondContact CB-O 3.48Å; L392-K399 HydrophobicContact CD1-CB 4.36Å; L392-K399 PolarHBondContact N-O 2.82Å; L392-L401 HydrophobicContact CD1-CB 4.11Å; L392-L401 HydrophobicContact CD2-CB 4.03Å; L392-L401 HydrophobicContact CG-CB 4.17Å
393	G	81.6	Confident	88.4	Confident	26 Å²	26	36 Å²	36	27%	0.268	21%	0.214	S	C	.	.			trans	73.4	-155.8	-173.7	0	0	0	0	0	112.5	D391 R398 K399	D391-G393 VanDerWaalsContact C-N 3.32Å; D391-G393 PolarHBondContact OD1-N 3.4Å; G393-R398 WeakPolarHBondContact O-CA 3.35Å; G393-K399 PolarHBondContact O-N 3.28Å; G393-K399 VanDerWaalsContact O-N 3.14Å
394	G	69.2	Low	88.5	Confident	53 Å²	53	36 Å²	36	55%	0.546	22%	0.215	S	C	.	.			trans	120.6	15.9	178.5	0	0	0	0	0	116.4	E396 S397	G394-E396 PolarHBondContact O-N 3.31Å; G394-S397 PolarHBondContact O-N 3.06Å; G394-S397 PolarHBondContact O-OG 2.9Å
395	G	71.9	Confident	88.5	Confident	70 Å²	70	33.8 Å²	33.8	72%	0.722	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	-119.3	177	0	0	0	0	0	112.3	S397	G395-S397 VanDerWaalsContact C-N 3.27Å; G395-S397 PolarHBondContact O-N 3Å
396	E	63.3	Low	88.5	Confident	206 Å²	206	34.1 Å²	34.1	96%	0.963	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.8	179.4	-65.3	-172.6	167	0	0	113.7	G394	G394-E396 PolarHBondContact O-N 3.31Å
397	S	76	Confident	88.5	Confident	80 Å²	80	33.4 Å²	33.4	56%	0.559	20%	0.202	S	C	*	.	S	Bend	trans	-117.5	70	177.9	64.7	0	0	0	0	111	G394 G395 K399	G394-S397 PolarHBondContact O-N 3.06Å; G394-S397 PolarHBondContact O-OG 2.9Å; G395-S397 VanDerWaalsContact C-N 3.27Å; G395-S397 PolarHBondContact O-N 3Å; S397-K399 PolarHBondContact O-N 2.99Å
398	R	87.3	Confident	88.5	Confident	84 Å²	84	36.8 Å²	36.8	32%	0.317	22%	0.218	S	C	.	.			trans	-58.4	135.6	175	-75.8	174.7	72.2	-170.3	3	110.8	F36 D391 G393	F36-R398 HydrophobicContact CB-CB 3.75Å; F36-R398 WeakPolarHBondContact CB-O 3.28Å; F36-R398 HydrophobicContact CD1-CB 4.12Å; F36-R398 HydrophobicContact CG-CB 4.34Å; F36-R398 PolarHBondContact N-O 3.23Å; D391-R398 IonicContact OD1-NE 2.84Å; D391-R398 IonicContact OD2-CZ 3.8Å; D391-R398 IonicContact OD2-NE 2.94Å; D391-R398 PolarHBondContact OD2-NE 3.43Å; D391-R398 IonicContact OD2-NH2 2.91Å; D391-R398 PolarHBondContact OD2-NH2 3.44Å; G393-R398 WeakPolarHBondContact O-CA 3.35Å
399	K	91.1	Very high	88.4	Confident	110 Å²	110	37.6 Å²	37.6	48%	0.478	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.6	179.6	-68.5	-178.9	-178.9	-176	0	110.3	I33 L392 G393 S397	I33-K399 HydrophobicContact CG2-CB 3.79Å; I33-K399 HydrophobicContact CG2-CD 4.04Å; I33-K399 HydrophobicContact CG2-CG 4.2Å; L392-K399 HydrophobicContact CB-CB 4.3Å; L392-K399 WeakPolarHBondContact CB-O 3.48Å; L392-K399 HydrophobicContact CD1-CB 4.36Å; L392-K399 PolarHBondContact N-O 2.82Å; G393-K399 PolarHBondContact O-N 3.28Å; G393-K399 VanDerWaalsContact O-N 3.14Å; S397-K399 PolarHBondContact O-N 2.99Å
400	L	92.6	Very high	88.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.5	178.4	-62	-174.7	0	0	0	111	I33 I34 F36 L324 W337 Y389 M390 D391	I33-L400 WeakPolarHBondContact CA-O 3.42Å; I34-L400 HydrophobicContact CG1-CB 3.86Å; I34-L400 PolarHBondContact N-O 3.05Å; I34-L400 PolarHBondContact O-N 3.42Å; F36-L400 HydrophobicContact CB-CD1 4.29Å; F36-L400 HydrophobicContact CB-CD2 4.38Å; F36-L400 HydrophobicContact CB-CG 3.97Å; F36-L400 HydrophobicContact CD2-CD1 3.74Å; F36-L400 HydrophobicContact CD2-CD2 4.45Å; F36-L400 HydrophobicContact CD2-CG 4.24Å; F36-L400 HydrophobicContact CG-CD1 4.46Å; L324-L400 HydrophobicContact CD2-CD1 4.29Å; L324-L400 HydrophobicContact CD2-CD2 4.4Å; W337-L400 HydrophobicContact CH2-CD1 3.88Å; W337-L400 HydrophobicContact CZ3-CD1 4.12Å; Y389-L400 HydrophobicContact CD1-CB 3.97Å; Y389-L400 HydrophobicContact CD1-CD1 4.22Å; Y389-L400 HydrophobicContact CD2-CD1 4.47Å; Y389-L400 HydrophobicContact CG-CB 4.25Å; Y389-L400 HydrophobicContact CG-CD1 4.05Å; M390-L400 WeakPolarHBondContact O-CA 3.48Å; D391-L400 HydrophobicContact CB-CD2 4.15Å
401	L	93.1	Very high	88.1	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.073	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.1	169	-179.7	73.6	0	0	0	108.9	I33 V306 Y389 M390 L392 P474	I33-L401 HydrophobicContact CG1-CD1 4.16Å; V306-L401 HydrophobicContact CB-CD2 4.44Å; V306-L401 HydrophobicContact CG1-CD2 4.03Å; V306-L401 HydrophobicContact CG2-CD2 3.57Å; Y389-L401 CarbonylContact C-O 3.55Å; Y389-L401 VanDerWaalsContact CA-O 3.23Å; Y389-L401 WeakPolarHBondContact CA-O 3.45Å; M390-L401 HydrophobicContact CB-CB 4.4Å; M390-L401 PolarHBondContact N-O 3.42Å; M390-L401 PolarHBondContact O-N 3.4Å; L392-L401 HydrophobicContact CD1-CB 4.11Å; L392-L401 HydrophobicContact CD2-CB 4.03Å; L392-L401 HydrophobicContact CG-CB 4.17Å; L401-P474 HydrophobicContact CD2-CB 4.41Å
402	P	93.3	Very high	88	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.013	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.3	175.9	30.3	-31.8	0	0	0	110.1	F32 W287 Y290 Y389 P404	F32-P402 HydrophobicContact CB-CG 4.22Å; F32-P402 WeakPolarHBondContact O-CD 3.33Å; W287-P402 HydrophobicContact CH2-CB 4.43Å; W287-P402 HydrophobicContact CH2-CG 3.68Å; W287-P402 HydrophobicContact CZ3-CB 4.23Å; W287-P402 HydrophobicContact CZ3-CG 3.67Å; Y290-P402 WeakPolarHBondContact OH-CB 3.22Å; Y290-P402 PolarHBondContact OH-O 3.46Å; Y389-P402 HydrophobicContact CD1-CB 3.73Å; Y389-P402 HydrophobicContact CE1-CB 3.81Å; P402-P404 VanDerWaalsContact O-CD 3.31Å; P402-P404 WeakPolarHBondContact O-CD 3.4Å
403	L	94.7	Very high	87.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-79.8	118.1	178.3	-85.9	66.4	0	0	0	109.9	L323 I388 Y389 M390 T405 I459	L323-L403 HydrophobicContact CD1-CD2 4.43Å; L323-L403 HydrophobicContact CD2-CD1 4.14Å; L323-L403 HydrophobicContact CD2-CD2 4.19Å; I388-L403 HydrophobicContact CG2-CD1 4.35Å; I388-L403 HydrophobicContact CG2-CD2 4.01Å; I388-L403 PolarHBondContact O-N 3.09Å; Y389-L403 VanDerWaalsContact C-CD1 3.5Å; M390-L403 HydrophobicContact CB-CD1 3.78Å; L403-T405 PolarHBondContact O-N 3.02Å; L403-T405 PolarHBondContact O-OG1 2.9Å; L403-I459 HydrophobicContact CD2-CD1 4.37Å; L403-I459 HydrophobicContact CD2-CG2 4.21Å
404	P	95.3	Very high	87.9	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.013	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.8	136.3	170	-17.8	31.7	0	0	0	110.4	Y290 V300 L301 P402 L427 P475 M477	Y290-P404 HydrophobicContact CD2-CB 4.45Å; Y290-P404 HydrophobicContact CE1-CB 4.47Å; Y290-P404 HydrophobicContact CE1-CG 4.11Å; Y290-P404 HydrophobicContact CE2-CB 4.07Å; Y290-P404 HydrophobicContact CE2-CG 4.47Å; V300-P404 HydrophobicContact CG1-CB 4.12Å; V300-P404 HydrophobicContact CG1-CG 3.51Å; L301-P404 HydrophobicContact CD2-CB 4.15Å; L301-P404 HydrophobicContact CD2-CG 3.99Å; P402-P404 VanDerWaalsContact O-CD 3.31Å; P402-P404 WeakPolarHBondContact O-CD 3.4Å; P404-L427 HydrophobicContact CB-CB 4.4Å; P404-L427 HydrophobicContact CB-CD1 3.89Å; P404-P475 WeakPolarHBondContact CD-O 3.02Å; P404-M477 PolarHBondContact O-N 2.75Å
405	T	95.9	Very high	88.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.1	-172.9	-57.8	0	0	0	0	111.1	L403 V407 T428 M477 L479	L403-T405 PolarHBondContact O-N 3.02Å; L403-T405 PolarHBondContact O-OG1 2.9Å; T405-V407 HydrophobicContact CG2-CG2 4.13Å; T405-T428 WeakPolarHBondContact CA-O 3.28Å; T405-T428 VanDerWaalsContact CB-O 3.31Å; T405-T428 WeakPolarHBondContact CB-O 3.41Å; T405-T428 PolarHBondContact N-O 2.94Å; T405-T428 PolarHBondContact O-N 3.43Å; T405-T428 PolarHBondContact O-OG1 2.75Å; T405-M477 CarbonylContact C-O 3.52Å; T405-M477 VanDerWaalsContact CA-O 3.31Å; T405-M477 WeakPolarHBondContact CA-O 3.38Å; T405-M477 HydrophobicContact CG2-CE 3.7Å; T405-M477 WeakPolarHBondContact OG1-CE 2.98Å; T405-L479 HydrophobicContact CG2-CD1 3.36Å; T405-L479 HydrophobicContact CG2-CG 3.81Å
406	L	96.3	Very high	89.7	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.8	173.9	-172.9	75.4	0	0	0	109.4	N418 W425 L427 L476 M477 T478 L479	L406-N418 HydrophobicContact CD1-CB 3.67Å; L406-N418 WeakPolarHBondContact CD1-OD1 3.26Å; L406-N418 HydrophobicContact CG-CB 4.09Å; L406-W425 HydrophobicContact CD1-CB 3.83Å; L406-W425 HydrophobicContact CD1-CD2 3.68Å; L406-W425 HydrophobicContact CD1-CE3 4.04Å; L406-W425 HydrophobicContact CD1-CG 3.6Å; L406-W425 HydrophobicContact CD2-CD2 4.05Å; L406-W425 HydrophobicContact CD2-CE3 4.23Å; L406-W425 HydrophobicContact CD2-CH2 4.32Å; L406-W425 HydrophobicContact CD2-CZ2 4.15Å; L406-W425 HydrophobicContact CD2-CZ3 4.35Å; L406-L427 HydrophobicContact CB-CD2 4.12Å; L406-L427 HydrophobicContact CD1-CD2 3.89Å; L406-L476 HydrophobicContact CB-CD1 4.07Å; L406-M477 PolarHBondContact N-O 3.48Å; L406-T478 HydrophobicContact CD2-CG2 4.34Å; L406-T478 WeakPolarHBondContact O-CA 3.37Å; L406-L479 PolarHBondContact O-N 3.28Å
407	V	96.1	Very high	91	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.4	175.1	179.1	0	0	0	0	108.9	M248 T405 N409 Q410 N418 L479 Y481	M248-V407 HydrophobicContact SD-CG1 4.42Å; T405-V407 HydrophobicContact CG2-CG2 4.13Å; V407-N409 HydrophobicContact CG1-CB 4.5Å; V407-N409 PolarHBondContact O-N 3.16Å; V407-Q410 HydrophobicContact CB-CB 4.26Å; V407-Q410 HydrophobicContact CG1-CB 4.39Å; V407-Q410 VanDerWaalsContact O-CB 3.28Å; V407-Q410 WeakPolarHBondContact O-CB 3.35Å; V407-Q410 PolarHBondContact O-N 3.28Å; V407-Q410 VanDerWaalsContact O-N 3.12Å; V407-N418 WeakPolarHBondContact O-CB 3.45Å; V407-N418 PolarHBondContact O-ND2 3.07Å; V407-L479 HydrophobicContact CG2-CB 4.43Å; V407-L479 HydrophobicContact CG2-CD1 4.41Å; V407-Y481 HydrophobicContact CG1-CD2 3.97Å; V407-Y481 HydrophobicContact CG1-CE2 3.9Å; V407-Y481 HydrophobicContact CG2-CE2 4.43Å
408	E	94.8	Very high	91.8	Very high	70 Å²	70	32.6 Å²	32.6	33%	0.327	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.6	-174.9	-67.4	-171.1	150	0	0	113.2	Q410 Q419 T478 L479 T480	E408-Q410 VanDerWaalsContact C-N 3.31Å; E408-Q419 PolarHBondContact O-NE2 3.2Å; E408-T478 HydrophobicContact CG-CG2 3.85Å; E408-L479 PolarHBondContact N-O 3.43Å; E408-T480 WeakPolarHBondContact OE2-CG2 3.48Å; E408-T480 PolarHBondContact OE2-OG1 2.67Å
409	N	93.3	Very high	91.8	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.107	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.2	179.2	-52.1	95.3	0	0	0	113.7	Q207 M248 V407 Q411 Y481	Q207-N409 PolarHBondContact NE2-ND2 2.7Å; M248-N409 HydrophobicContact SD-CB 4.35Å; V407-N409 HydrophobicContact CG1-CB 4.5Å; V407-N409 PolarHBondContact O-N 3.16Å; N409-Q411 PolarHBondContact O-N 3.04Å; N409-Y481 PolarHBondContact ND2-O 3.5Å; N409-Y481 PolarHBondContact OD1-N 3.32Å; N409-Y481 PolarHBondContact OD1-O 2.97Å
410	Q	92.6	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.			trans	-65.4	130.8	-178	-174.5	177.5	13.6	0	0	111	H249 V407 E408 F416 I417 N418 Y426	H249-Q410 HydrophobicContact CB-CG 4.21Å; H249-Q410 PolarHBondContact O-NE2 2.92Å; V407-Q410 HydrophobicContact CB-CB 4.26Å; V407-Q410 HydrophobicContact CG1-CB 4.39Å; V407-Q410 VanDerWaalsContact O-CB 3.28Å; V407-Q410 WeakPolarHBondContact O-CB 3.35Å; V407-Q410 PolarHBondContact O-N 3.28Å; V407-Q410 VanDerWaalsContact O-N 3.12Å; E408-Q410 VanDerWaalsContact C-N 3.31Å; Q410-F416 WeakPolarHBondContact O-CA 3.36Å; Q410-I417 HydrophobicContact CG-CG2 4.37Å; Q410-I417 PolarHBondContact O-N 3Å; Q410-N418 PolarHBondContact OE1-ND2 3.43Å; Q410-Y426 PolarHBondContact OE1-O 3.07Å
411	Q	90.4	Very high	91	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.6	176.9	-65.1	-173.3	-22.4	0	0	111.7	N204 S250 F251 N409 G415 F416	N204-Q411 PolarHBondContact ND2-OE1 3.06Å; S250-Q411 WeakPolarHBondContact CA-O 3.42Å; F251-Q411 PolarHBondContact N-O 3.1Å; N409-Q411 PolarHBondContact O-N 3.04Å; Q411-G415 CarbonylContact C-O 3.53Å; Q411-G415 VanDerWaalsContact CA-O 3.27Å; Q411-G415 WeakPolarHBondContact CA-O 3.22Å; Q411-F416 HydrophobicContact CG-CD1 3.78Å; Q411-F416 HydrophobicContact CG-CE1 3.71Å; Q411-F416 HydrophobicContact CG-CZ 4.43Å; Q411-F416 VanDerWaalsContact NE2-CZ 3.3Å
412	Y	89.2	Confident	90.8	Very high	56 Å²	56	38.4 Å²	38.4	22%	0.22	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.8	171.1	-167	-90.9	0	0	0	108.5	F251 P294 G414 G415	F251-Y412 HydrophobicContact CB-CD2 3.85Å; F251-Y412 HydrophobicContact CB-CE2 4.11Å; F251-Y412 AromaticContact CD1-CD2 3.72Å; F251-Y412 HydrophobicContact CD1-CD2 3.72Å; F251-Y412 AromaticContact CD1-CE2 3.21Å; F251-Y412 HydrophobicContact CD1-CE2 3.21Å; F251-Y412 AromaticContact CD1-CZ 3.75Å; F251-Y412 AromaticContact CE1-CE2 3.93Å; F251-Y412 HydrophobicContact CE1-CE2 3.93Å; F251-Y412 HydrophobicContact CG-CD2 4.17Å; F251-Y412 AromaticContact CG-CE2 3.92Å; F251-Y412 HydrophobicContact CG-CE2 3.92Å; F251-Y412 CarbonylContact O-C 3.43Å; F251-Y412 WeakPolarHBondContact O-CA 2.71Å; P294-Y412 HydrophobicContact CG-CD2 4.49Å; P294-Y412 HydrophobicContact CG-CE1 4.25Å; P294-Y412 HydrophobicContact CG-CE2 4.24Å; Y412-G414 PolarHBondContact O-N 3.11Å; Y412-G415 PolarHBondContact N-O 2.85Å; Y412-G415 PolarHBondContact O-N 3.46Å; Y412-G415 VanDerWaalsContact O-N 3.17Å
413	N	87.4	Confident	90.5	Very high	93 Å²	93	48.3 Å²	48.3	50%	0.497	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38	-173.3	-64.2	-37.7	0	0	0	113.7	F251 A252 S253	F251-N413 PolarHBondContact O-N 2.97Å; A252-N413 WeakPolarHBondContact CA-OD1 3.5Å; S253-N413 PolarHBondContact N-OD1 2.94Å; S253-N413 PolarHBondContact OG-OD1 3.37Å
414	G	82.1	Confident	90.3	Very high	59 Å²	59	51.4 Å²	51.4	61%	0.608	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-5.7	177.4	0	0	0	0	0	116.1	Y412	Y412-G414 PolarHBondContact O-N 3.11Å
415	G	87.4	Confident	90.2	Very high	39 Å²	39	53 Å²	53	40%	0.402	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148	173.4	0	0	0	0	0	112.8	Q411 Y412 I417	Q411-G415 CarbonylContact C-O 3.53Å; Q411-G415 VanDerWaalsContact CA-O 3.27Å; Q411-G415 WeakPolarHBondContact CA-O 3.22Å; Y412-G415 PolarHBondContact N-O 2.85Å; Y412-G415 PolarHBondContact O-N 3.46Å; Y412-G415 VanDerWaalsContact O-N 3.17Å; G415-I417 PolarHBondContact O-N 3.49Å
416	F	91.3	Very high	90.1	Very high	71 Å²	71	53.7 Å²	53.7	31%	0.311	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	104.6	175.1	-66	-72.2	0	0	0	110.7	A206 Q410 Q411 Q419	A206-F416 HydrophobicContact CB-CE1 4.45Å; A206-F416 HydrophobicContact CB-CZ 4.14Å; Q410-F416 WeakPolarHBondContact O-CA 3.36Å; Q411-F416 HydrophobicContact CG-CD1 3.78Å; Q411-F416 HydrophobicContact CG-CE1 3.71Å; Q411-F416 HydrophobicContact CG-CZ 4.43Å; Q411-F416 VanDerWaalsContact NE2-CZ 3.3Å; F416-Q419 HydrophobicContact CB-CG 4.03Å
417	I	91.4	Very high	90	Very high	29 Å²	29	53.4 Å²	53.4	15%	0.149	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-25.6	-169	-168.4	62.5	0	0	0	113.5	P294 Q410 G415 N424	P294-I417 HydrophobicContact CB-CG1 4.21Å; Q410-I417 HydrophobicContact CG-CG2 4.37Å; Q410-I417 PolarHBondContact O-N 3Å; G415-I417 PolarHBondContact O-N 3.49Å; I417-N424 HydrophobicContact CD1-CB 3.9Å; I417-N424 HydrophobicContact CG1-CB 4.49Å; I417-N424 WeakPolarHBondContact CG1-O 3.46Å
418	N	92.3	Very high	89.9	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	4.9	-172.1	-73.2	-19.9	0	0	0	114.3	L406 V407 Q410 W425 Y426	L406-N418 HydrophobicContact CD1-CB 3.67Å; L406-N418 WeakPolarHBondContact CD1-OD1 3.26Å; L406-N418 HydrophobicContact CG-CB 4.09Å; V407-N418 WeakPolarHBondContact O-CB 3.45Å; V407-N418 PolarHBondContact O-ND2 3.07Å; Q410-N418 PolarHBondContact OE1-ND2 3.43Å; N418-W425 WeakPolarHBondContact OD1-CA 3.42Å; N418-Y426 PolarHBondContact ND2-O 3.45Å; N418-Y426 PolarHBondContact OD1-N 3.39Å
419	Q	87.8	Confident	89.8	Confident	117 Å²	117	50.3 Å²	50.3	55%	0.547	26%	0.264	S	S	.	.	S	Bend	trans	-93.1	-18.4	179.3	-66	179.2	3.5	0	0	113.3	E408 F416	E408-Q419 PolarHBondContact O-NE2 3.2Å; F416-Q419 HydrophobicContact CB-CG 4.03Å
420	D	80.7	Confident	89.9	Confident	106 Å²	106	49.4 Å²	49.4	57%	0.567	26%	0.26	S	S	*	.	S	Bend	trans	-89.6	-152.9	-179.8	-68.3	-31.4	0	0	0	111.6	W425	D420-W425 PolarHBondContact O-NE1 3.45Å
421	S	86.4	Confident	90.1	Very high	62 Å²	62	49.4 Å²	49.4	43%	0.434	26%	0.26	S	S	.	.			trans	-70.2	154.8	-180	84.8	0	0	0	0	113.3	R423 N424 W425	S421-R423 PolarHBondContact O-N 2.84Å; S421-R423 PolarHBondContact OG-N 2.81Å; S421-N424 PolarHBondContact O-N 2.99Å; S421-W425 VanDerWaalsContact O-CD1 3.28Å; S421-W425 PolarHBondContact O-NE1 3.45Å
422	M	87.3	Confident	90.3	Very high	45 Å²	45	48.3 Å²	48.3	22%	0.222	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-24.7	173.3	-176.2	-175.8	-76.4	0	0	114.6	A297 L301 N424 W425	A297-M422 HydrophobicContact CB-CG 4.11Å; L301-M422 HydrophobicContact CD1-CE 4.19Å; M422-N424 PolarHBondContact O-N 3.31Å; M422-W425 VanDerWaalsContact CA-CD2 3.45Å; M422-W425 HydrophobicContact CB-CD2 4.04Å; M422-W425 HydrophobicContact CB-CE3 3.9Å; M422-W425 HydrophobicContact CB-CH2 4.11Å; M422-W425 HydrophobicContact CB-CZ2 4.23Å; M422-W425 HydrophobicContact CB-CZ3 3.95Å; M422-W425 HydrophobicContact CE-CE3 4.31Å; M422-W425 HydrophobicContact CE-CH2 4.02Å; M422-W425 HydrophobicContact CE-CZ3 3.53Å; M422-W425 HydrophobicContact CG-CD2 4.23Å; M422-W425 HydrophobicContact CG-CE3 3.68Å; M422-W425 HydrophobicContact CG-CH2 4.46Å; M422-W425 HydrophobicContact CG-CZ3 3.82Å; M422-W425 PolarHBondContact O-N 3.41Å
423	R	87.4	Confident	90.6	Very high	210 Å²	210	45.8 Å²	45.8	79%	0.792	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.2	177.9	-61	-177.9	178.8	-175.4	-0.4	113.7	G295 S421	G295-R423 WeakPolarHBondContact CA-O 3.42Å; S421-R423 PolarHBondContact O-N 2.84Å; S421-R423 PolarHBondContact OG-N 2.81Å
424	N	90.3	Very high	91	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.353	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-16.3	-179	-64.9	-9.3	0	0	0	112.1	P294 I417 S421 M422	P294-N424 WeakPolarHBondContact CB-O 3.27Å; I417-N424 HydrophobicContact CD1-CB 3.9Å; I417-N424 HydrophobicContact CG1-CB 4.49Å; I417-N424 WeakPolarHBondContact CG1-O 3.46Å; S421-N424 PolarHBondContact O-N 2.99Å; M422-N424 PolarHBondContact O-N 3.31Å
425	W	94	Very high	91.6	Very high	36 Å²	36	38.7 Å²	38.7	14%	0.136	19%	0.193	C	C	.	.			trans	-58	141.7	-170.8	-68.4	-6	0	0	0	113	G295 A297 L301 L406 N418 D420 S421 M422 L476	G295-W425 PolarHBondContact N-O 3Å; A297-W425 HydrophobicContact CB-CB 3.76Å; A297-W425 HydrophobicContact CB-CE3 4.27Å; L301-W425 HydrophobicContact CD1-CE3 4.42Å; L301-W425 HydrophobicContact CD1-CZ3 4.25Å; L406-W425 HydrophobicContact CD1-CB 3.83Å; L406-W425 HydrophobicContact CD1-CD2 3.68Å; L406-W425 HydrophobicContact CD1-CE3 4.04Å; L406-W425 HydrophobicContact CD1-CG 3.6Å; L406-W425 HydrophobicContact CD2-CD2 4.05Å; L406-W425 HydrophobicContact CD2-CE3 4.23Å; L406-W425 HydrophobicContact CD2-CH2 4.32Å; L406-W425 HydrophobicContact CD2-CZ2 4.15Å; L406-W425 HydrophobicContact CD2-CZ3 4.35Å; N418-W425 WeakPolarHBondContact OD1-CA 3.42Å; D420-W425 PolarHBondContact O-NE1 3.45Å; S421-W425 VanDerWaalsContact O-CD1 3.28Å; S421-W425 PolarHBondContact O-NE1 3.45Å; M422-W425 VanDerWaalsContact CA-CD2 3.45Å; M422-W425 HydrophobicContact CB-CD2 4.04Å; M422-W425 HydrophobicContact CB-CE3 3.9Å; M422-W425 HydrophobicContact CB-CH2 4.11Å; M422-W425 HydrophobicContact CB-CZ2 4.23Å; M422-W425 HydrophobicContact CB-CZ3 3.95Å; M422-W425 HydrophobicContact CE-CE3 4.31Å; M422-W425 HydrophobicContact CE-CH2 4.02Å; M422-W425 HydrophobicContact CE-CZ3 3.53Å; M422-W425 HydrophobicContact CG-CD2 4.23Å; M422-W425 HydrophobicContact CG-CE3 3.68Å; M422-W425 HydrophobicContact CG-CH2 4.46Å; M422-W425 HydrophobicContact CG-CZ3 3.82Å; M422-W425 PolarHBondContact O-N 3.41Å; W425-L476 HydrophobicContact CH2-CD2 4.44Å; W425-L476 HydrophobicContact CZ3-CD2 3.9Å
426	Y	93.5	Very high	92	Very high	15 Å²	15	36.8 Å²	36.8	6%	0.059	17%	0.174	C	C	.	.			trans	-115.5	105.2	171.7	-162.6	-164	0	0	0	109.2	F289 G291 P294 Q410 N418	F289-Y426 HydrophobicContact CB-CE2 3.82Å; F289-Y426 WeakPolarHBondContact CB-OH 3.46Å; F289-Y426 HydrophobicContact CD1-CD1 4.13Å; F289-Y426 HydrophobicContact CD1-CD2 4.4Å; F289-Y426 AromaticContact CD1-CE1 3.5Å; F289-Y426 HydrophobicContact CD1-CE1 3.5Å; F289-Y426 VanDerWaalsContact CD1-CE1 3.5Å; F289-Y426 AromaticContact CD1-CE2 3.81Å; F289-Y426 HydrophobicContact CD1-CE2 3.81Å; F289-Y426 AromaticContact CD1-CZ 3.32Å; F289-Y426 WeakPolarHBondContact CD1-OH 3.33Å; F289-Y426 HydrophobicContact CE1-CD1 4.29Å; F289-Y426 AromaticContact CE1-CE1 3.7Å; F289-Y426 HydrophobicContact CE1-CE1 3.7Å; F289-Y426 AromaticContact CE1-CZ 3.98Å; F289-Y426 HydrophobicContact CG-CE1 4.24Å; F289-Y426 HydrophobicContact CG-CE2 4.12Å; F289-Y426 AromaticContact CG-CZ 3.65Å; F289-Y426 VanDerWaalsContact CG-OH 3.32Å; F289-Y426 WeakPolarHBondContact CG-OH 3.4Å; G291-Y426 PolarHBondContact O-OH 3.31Å; P294-Y426 HydrophobicContact CB-CG 4.37Å; Q410-Y426 PolarHBondContact OE1-O 3.07Å; N418-Y426 PolarHBondContact ND2-O 3.45Å; N418-Y426 PolarHBondContact OD1-N 3.39Å
427	L	94.5	Very high	92.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.159	C	C	.	.			trans	-83.3	138.1	-175.8	-60.4	175.6	0	0	0	110.5	Y290 A297 V300 L301 P404 L406 L476	Y290-L427 HydrophobicContact CD2-CB 4.09Å; Y290-L427 HydrophobicContact CG-CB 4.33Å; Y290-L427 PolarHBondContact N-O 2.76Å; A297-L427 HydrophobicContact CB-CD1 3.73Å; A297-L427 HydrophobicContact CB-CD2 4.44Å; A297-L427 HydrophobicContact CB-CG 3.87Å; V300-L427 HydrophobicContact CB-CD1 4.06Å; V300-L427 HydrophobicContact CG1-CD1 4.27Å; V300-L427 HydrophobicContact CG2-CD1 4.41Å; L301-L427 HydrophobicContact CD1-CD1 3.96Å; L301-L427 HydrophobicContact CD2-CD1 4.39Å; L301-L427 HydrophobicContact CG-CD1 3.94Å; P404-L427 HydrophobicContact CB-CB 4.4Å; P404-L427 HydrophobicContact CB-CD1 3.89Å; L406-L427 HydrophobicContact CB-CD2 4.12Å; L406-L427 HydrophobicContact CD1-CD2 3.89Å; L427-L476 HydrophobicContact CD2-CD1 3.86Å
428	T	94.9	Very high	92.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-116.2	177.7	179.7	65.4	0	0	0	0	110.4	H249 L288 F289 Y290 T405	H249-T428 HydrophobicContact CB-CG2 3.97Å; L288-T428 CarbonylContact O-C 3.54Å; L288-T428 WeakPolarHBondContact O-CA 3.45Å; F289-T428 HydrophobicContact CD1-CG2 3.98Å; F289-T428 HydrophobicContact CE1-CG2 4.02Å; Y290-T428 WeakPolarHBondContact CE2-O 3.08Å; T405-T428 WeakPolarHBondContact CA-O 3.28Å; T405-T428 VanDerWaalsContact CB-O 3.31Å; T405-T428 WeakPolarHBondContact CB-O 3.41Å; T405-T428 PolarHBondContact N-O 2.94Å; T405-T428 PolarHBondContact O-N 3.43Å; T405-T428 PolarHBondContact O-OG1 2.75Å
429	R	92.6	Very high	92.2	Very high	4 Å²	4	32 Å²	32	2%	0.015	15%	0.151	C	C	.	.			trans	-124.8	-46.5	-178.4	-171.4	-179.4	-175.4	-124.3	24.2	114	W287 L288 Y290 D387 Y389	W287-R429 VanDerWaalsContact CE3-NE 3.33Å; W287-R429 WeakPolarHBondContact O-CD 3.29Å; L288-R429 PolarHBondContact O-N 3.33Å; Y290-R429 HydrophobicContact CE2-CB 4.07Å; D387-R429 IonicContact OD2-NH1 3.7Å; D387-R429 PolarHBondContact OD2-NH1 2.89Å; Y389-R429 VanDerWaalsContact CE1-NH2 3.26Å; Y389-R429 VanDerWaalsContact CZ-NH2 3.31Å; Y389-R429 PolarHBondContact OH-NH1 3.46Å; Y389-R429 PolarHBondContact OH-NH2 3.07Å
430	R	95.1	Very high	92.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.5	-174.9	-169.7	164.6	-71.9	-178.9	-0.2	111.7	Q238 N242 V245 H249 L288 Y328 F385 D387	Q238-R430 VanDerWaalsContact OE1-NH2 3.13Å; N242-R430 VanDerWaalsContact OD1-CD 3.27Å; N242-R430 WeakPolarHBondContact OD1-CD 3.49Å; N242-R430 PolarHBondContact OD1-NH1 3.12Å; V245-R430 HydrophobicContact CG2-CB 3.95Å; V245-R430 HydrophobicContact CG2-CG 3.95Å; H249-R430 PolarHBondContact CE1-O 3.49Å; H249-R430 PolarHBondContact NE2-O 3.37Å; L288-R430 HydrophobicContact CD2-CB 3.74Å; Y328-R430 VanDerWaalsContact CE2-NH2 3.26Å; F385-R430 HydrophobicContact CB-CG 4.01Å; F385-R430 HydrophobicContact CD1-CG 4.38Å; D387-R430 VanDerWaalsContact OD1-CA 3.27Å; D387-R430 WeakPolarHBondContact OD1-CA 3.35Å; D387-R430 WeakPolarHBondContact OD1-CB 3.26Å; D387-R430 WeakPolarHBondContact OD1-CG 3.48Å; D387-R430 IonicContact OD1-CZ 3.28Å; D387-R430 IonicContact OD1-NE 3.22Å; D387-R430 PolarHBondContact OD1-NE 3.29Å; D387-R430 IonicContact OD1-NH2 2.88Å; D387-R430 IonicContact OD2-CZ 3.79Å; D387-R430 IonicContact OD2-NE 2.91Å; D387-R430 PolarHBondContact OD2-NE 3.49Å; D387-R430 IonicContact OD2-NH2 3.59Å; D387-R430 PolarHBondContact OD2-NH2 3.28Å
431	M	95.4	Very high	93.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	168.8	177	61.5	161	-83	0	0	112.4	L345 F385 Y386 I388 L433 M477 L479	L345-M431 HydrophobicContact CD1-CE 3.76Å; L345-M431 HydrophobicContact CD1-SD 4.11Å; F385-M431 CarbonylContact C-O 3.44Å; F385-M431 VanDerWaalsContact CA-O 3.28Å; F385-M431 WeakPolarHBondContact CA-O 3.46Å; Y386-M431 PolarHBondContact N-O 3.35Å; Y386-M431 WeakPolarHBondContact O-CG 3.42Å; Y386-M431 PolarHBondContact O-N 3.36Å; I388-M431 HydrophobicContact CD1-SD 3.73Å; M431-L433 HydrophobicContact CE-CD2 3.45Å; M431-L433 VanDerWaalsContact CE-CD2 3.45Å; M431-L433 HydrophobicContact CE-CG 3.83Å; M431-M477 HydrophobicContact CG-CE 4.12Å; M431-M477 HydrophobicContact SD-CE 3.45Å; M431-M477 WeakPolarHBondContact SD-CE 3.36Å; M431-M477 HydrophobicContact SD-SD 3.82Å; M431-L479 HydrophobicContact CB-CD1 3.39Å; M431-L479 HydrophobicContact CE-CD1 4.49Å; M431-L479 HydrophobicContact CE-CD2 4.41Å; M431-L479 HydrophobicContact CG-CD1 4.12Å; M431-L479 HydrophobicContact SD-CD1 3.77Å; M431-L479 HydrophobicContact SD-CD2 4.08Å
432	F	95.7	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.8	165	64	-91.6	0	0	0	109	V245 L246 M248 L384 F385 D435 R452 Y481	V245-F432 HydrophobicContact CG1-CD1 3.73Å; V245-F432 HydrophobicContact CG1-CE1 4.14Å; V245-F432 WeakPolarHBondContact O-CE1 3.31Å; L246-F432 HydrophobicContact CD2-CD1 4.1Å; L246-F432 HydrophobicContact CD2-CE1 3.99Å; L246-F432 HydrophobicContact CD2-CG 4.47Å; L246-F432 HydrophobicContact CD2-CZ 4.24Å; M248-F432 HydrophobicContact CE-CE1 3.34Å; M248-F432 HydrophobicContact CE-CE2 4.5Å; M248-F432 HydrophobicContact CE-CZ 3.3Å; L384-F432 WeakPolarHBondContact O-CA 3.19Å; L384-F432 VanDerWaalsContact O-CB 3.24Å; L384-F432 WeakPolarHBondContact O-CB 3.29Å; F385-F432 HydrophobicContact CD1-CB 4.22Å; F385-F432 HydrophobicContact CE1-CB 4.34Å; F385-F432 HydrophobicContact CE1-CD1 4.16Å; F432-D435 HydrophobicContact CD2-CB 3.93Å; F432-D435 HydrophobicContact CE2-CB 3.42Å; F432-D435 VanDerWaalsContact CE2-CB 3.42Å; F432-D435 HydrophobicContact CZ-CB 4Å; F432-R452 HydrophobicContact CE2-CG 4.15Å; F432-R452 HydrophobicContact CZ-CG 4.08Å; F432-Y481 HydrophobicContact CD1-CE1 4.36Å; F432-Y481 AromaticContact CD2-CE1 3.89Å; F432-Y481 HydrophobicContact CD2-CE1 3.89Å; F432-Y481 HydrophobicContact CE1-CE1 4.07Å; F432-Y481 AromaticContact CE2-CD1 3.94Å; F432-Y481 HydrophobicContact CE2-CD1 3.94Å; F432-Y481 AromaticContact CE2-CE1 3.55Å; F432-Y481 HydrophobicContact CE2-CE1 3.55Å; F432-Y481 HydrophobicContact CG-CE1 4.28Å; F432-Y481 HydrophobicContact CZ-CD1 4.04Å; F432-Y481 AromaticContact CZ-CE1 3.67Å; F432-Y481 HydrophobicContact CZ-CE1 3.67Å; F432-Y481 PolarHBondContact N-OH 2.87Å; F432-Y481 VanDerWaalsContact O-CE1 3.28Å; F432-Y481 WeakPolarHBondContact O-CE1 3.34Å; F432-Y481 PolarHBondContact O-OH 3.3Å
433	L	95	Very high	93.1	Very high	3 Å²	3	34 Å²	34	2%	0.016	15%	0.15	C	C	.	.	S	Bend	trans	-100	-45.4	179	-71.5	172.7	0	0	0	112.4	N344 L345 L347 Y386 M431 V453 A454 V457	N344-L433 WeakPolarHBondContact O-CD1 3.26Å; L345-L433 HydrophobicContact CD1-CD2 4.29Å; L347-L433 HydrophobicContact CD1-CB 4.34Å; L347-L433 HydrophobicContact CD1-CD2 4.43Å; L347-L433 HydrophobicContact CD2-CB 4.36Å; L347-L433 HydrophobicContact CD2-CD1 4.04Å; L347-L433 HydrophobicContact CG-CD1 4.44Å; Y386-L433 HydrophobicContact CE2-CD1 4.14Å; Y386-L433 HydrophobicContact CE2-CG 4.19Å; M431-L433 HydrophobicContact CE-CD2 3.45Å; M431-L433 VanDerWaalsContact CE-CD2 3.45Å; M431-L433 HydrophobicContact CE-CG 3.83Å; L433-V453 CarbonylContact O-C 3.59Å; L433-A454 HydrophobicContact CD2-CB 4.12Å; L433-A454 WeakPolarHBondContact O-CB 3.5Å; L433-A454 PolarHBondContact O-N 3.4Å; L433-V457 HydrophobicContact CD2-CG2 4.28Å
434	V	95.8	Very high	93.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.7	-177.1	-168.7	0	0	0	0	108.6	L347 L376 H380 P383 T436 V453	L347-V434 HydrophobicContact CD1-CG2 4.44Å; L376-V434 HydrophobicContact CB-CG1 4.48Å; L376-V434 HydrophobicContact CD2-CG1 4.45Å; L376-V434 HydrophobicContact CD2-CG2 3.96Å; H380-V434 HydrophobicContact CB-CB 3.9Å; H380-V434 HydrophobicContact CB-CG1 4.1Å; H380-V434 HydrophobicContact CB-CG2 4.33Å; P383-V434 WeakPolarHBondContact CB-O 3.45Å; V434-T436 HydrophobicContact CG1-CG2 3.76Å; V434-V453 HydrophobicContact CG1-CG2 4.4Å
435	D	95.7	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109	171.6	172.7	21.4	0	0	0	110.1	L246 F432 L437 S438 I451 R452	L246-D435 HydrophobicContact CD2-CB 3.94Å; F432-D435 HydrophobicContact CD2-CB 3.93Å; F432-D435 HydrophobicContact CE2-CB 3.42Å; F432-D435 VanDerWaalsContact CE2-CB 3.42Å; F432-D435 HydrophobicContact CZ-CB 4Å; D435-L437 PolarHBondContact OD1-N 3.26Å; D435-S438 VanDerWaalsContact CG-OG 3.28Å; D435-S438 PolarHBondContact OD1-N 3.2Å; D435-S438 PolarHBondContact OD1-OG 3.07Å; D435-S438 WeakPolarHBondContact OD2-CB 3.31Å; D435-S438 PolarHBondContact OD2-OG 3.22Å; D435-I451 WeakPolarHBondContact O-CA 3.25Å; D435-I451 WeakPolarHBondContact O-CB 3.42Å; D435-R452 HydrophobicContact CB-CB 4.25Å; D435-R452 PolarHBondContact N-O 3.41Å; D435-R452 PolarHBondContact O-N 3.02Å
436	T	94.1	Very high	92.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-108.7	2.7	177.4	61	0	0	0	0	112.3	L377 H380 P381 V434 R440 I451	L377-T436 HydrophobicContact CD2-CG2 3.81Å; H380-T436 VanDerWaalsContact O-CG2 3.28Å; H380-T436 WeakPolarHBondContact O-CG2 3.49Å; H380-T436 PolarHBondContact O-OG1 3.48Å; P381-T436 PolarHBondContact O-OG1 3.45Å; V434-T436 HydrophobicContact CG1-CG2 3.76Å; T436-R440 PolarHBondContact O-NE 3.21Å; T436-I451 HydrophobicContact CG2-CG2 4.27Å
437	L	94.2	Very high	92.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-106.7	-44.5	-170.6	-173.2	72	0	0	0	111.9	W216 V330 P383 D435 G439 R440 I444	W216-L437 HydrophobicContact CB-CD2 3.96Å; W216-L437 HydrophobicContact CB-CG 3.94Å; W216-L437 HydrophobicContact CD2-CD2 3.67Å; W216-L437 HydrophobicContact CE3-CD2 4.05Å; W216-L437 HydrophobicContact CG-CD2 3.59Å; W216-L437 HydrophobicContact CG-CG 4.14Å; V330-L437 HydrophobicContact CB-CD2 4.43Å; V330-L437 HydrophobicContact CG1-CD2 4.26Å; V330-L437 HydrophobicContact CG2-CD2 3.78Å; P383-L437 HydrophobicContact CG-CB 4.2Å; P383-L437 HydrophobicContact CG-CD2 4.42Å; D435-L437 PolarHBondContact OD1-N 3.26Å; L437-G439 PolarHBondContact O-N 3.07Å; L437-R440 WeakPolarHBondContact O-CB 3.45Å; L437-R440 PolarHBondContact O-N 2.96Å; L437-I444 HydrophobicContact CD1-CG2 3.92Å
438	S	93.6	Very high	92.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.5	-174.6	-55.9	0	0	0	0	113.3	Y205 S214 D435 R440	Y205-S438 VanDerWaalsContact OH-C 3.29Å; S214-S438 WeakPolarHBondContact CB-O 3.35Å; S214-S438 WeakPolarHBondContact OG-CA 3.39Å; S214-S438 PolarHBondContact OG-O 3.24Å; S214-S438 VanDerWaalsContact OG-O 3.08Å; D435-S438 VanDerWaalsContact CG-OG 3.28Å; D435-S438 PolarHBondContact OD1-N 3.2Å; D435-S438 PolarHBondContact OD1-OG 3.07Å; D435-S438 WeakPolarHBondContact OD2-CB 3.31Å; D435-S438 PolarHBondContact OD2-OG 3.22Å; S438-R440 VanDerWaalsContact C-N 3.34Å
439	G	92.8	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.7	-179.3	0	0	0	0	0	115.5	Y205 L437 K449 V450	Y205-G439 VanDerWaalsContact OH-CA 3.25Å; Y205-G439 WeakPolarHBondContact OH-CA 2.93Å; Y205-G439 PolarHBondContact OH-N 3.28Å; Y205-G439 VanDerWaalsContact OH-N 3.1Å; L437-G439 PolarHBondContact O-N 3.07Å; G439-K449 PolarHBondContact O-N 3.08Å; G439-V450 WeakPolarHBondContact CA-O 3.35Å
440	R	93.9	Very high	92.4	Very high	43 Å²	43	36.8 Å²	36.8	16%	0.162	20%	0.195	C	C	.	.			trans	-83.5	126	176.9	-61	-176.6	-175.9	-148.8	-0.8	110.7	A215 T436 L437 S438 I444 S446 P448	A215-R440 PolarHBondContact N-O 3.34Å; T436-R440 PolarHBondContact O-NE 3.21Å; L437-R440 WeakPolarHBondContact O-CB 3.45Å; L437-R440 PolarHBondContact O-N 2.96Å; S438-R440 VanDerWaalsContact C-N 3.34Å; R440-I444 WeakPolarHBondContact CD-O 3.29Å; R440-I444 PolarHBondContact NH1-O 2.64Å; R440-S446 WeakPolarHBondContact CD-O 3.38Å; R440-S446 WeakPolarHBondContact CG-O 3.44Å; R440-S446 PolarHBondContact NH1-O 3.06Å; R440-P448 HydrophobicContact CG-CB 3.85Å
441	E	92.2	Very high	92.4	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	20%	0.195	S	C	.	.			trans	-98.4	150.7	177.7	-68.1	-177.4	118.4	0	0	110.5	I212 S443 S446 K449	I212-E441 HydrophobicContact CG2-CG 3.34Å; E441-S443 PolarHBondContact O-N 3.47Å; E441-S446 PolarHBondContact O-OG 2.93Å; E441-K449 IonicContact OE1-NZ 3.62Å; E441-K449 WeakPolarHBondContact OE2-CD 3.31Å; E441-K449 IonicContact OE2-NZ 3.96Å; E441-K449 PolarHBondContact OE2-NZ 2.85Å
442	K	87.3	Confident	92.4	Very high	211 Å²	211	37 Å²	37	92%	0.917	20%	0.196	S	C	*	.	S	Bend	trans	66.7	-44.4	174.2	-52.6	175.8	-177.8	175.6	0	116.8
443	S	88	Confident	92.5	Very high	45 Å²	45	37 Å²	37	32%	0.315	20%	0.196	S	C	.	.			trans	-143.8	148.9	-178.6	175.9	0	0	0	0	110.4	A215 E441 T445 S446	A215-S443 VanDerWaalsContact CB-C 3.44Å; E441-S443 PolarHBondContact O-N 3.47Å; S443-T445 PolarHBondContact O-N 3.08Å; S443-T445 PolarHBondContact OG-N 2.88Å; S443-T445 PolarHBondContact OG-OG1 3.2Å; S443-S446 PolarHBondContact O-N 3.34Å; S443-S446 PolarHBondContact O-OG 3.33Å
444	I	86.5	Confident	92.5	Very high	41 Å²	41	36.9 Å²	36.9	21%	0.21	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.5	173.1	-64.3	173.9	0	0	0	111.7	A215 W216 E219 L437 R440 S446	A215-I444 HydrophobicContact CB-CG1 4.3Å; W216-I444 HydrophobicContact CE3-CD1 3.89Å; W216-I444 HydrophobicContact CZ3-CD1 4.37Å; E219-I444 WeakPolarHBondContact OE2-CD1 3.39Å; L437-I444 HydrophobicContact CD1-CG2 3.92Å; R440-I444 WeakPolarHBondContact CD-O 3.29Å; R440-I444 PolarHBondContact NH1-O 2.64Å; I444-S446 VanDerWaalsContact C-N 3.33Å
445	T	87.3	Confident	92.5	Very high	122 Å²	122	37.4 Å²	37.4	75%	0.748	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.3	-179.2	57.2	0	0	0	0	114.2	S443	S443-T445 PolarHBondContact O-N 3.08Å; S443-T445 PolarHBondContact OG-N 2.88Å; S443-T445 PolarHBondContact OG-OG1 3.2Å
446	S	87.9	Confident	92.6	Very high	35 Å²	35	39 Å²	39	25%	0.245	21%	0.21	C	C	.	.	S	Bend	trans	-72.8	155.3	178.7	71	0	0	0	0	111.5	R440 E441 S443 I444	R440-S446 WeakPolarHBondContact CD-O 3.38Å; R440-S446 WeakPolarHBondContact CG-O 3.44Å; R440-S446 PolarHBondContact NH1-O 3.06Å; E441-S446 PolarHBondContact O-OG 2.93Å; S443-S446 PolarHBondContact O-N 3.34Å; S443-S446 PolarHBondContact O-OG 3.33Å; I444-S446 VanDerWaalsContact C-N 3.33Å
447	S	88.2	Confident	92.6	Very high	97 Å²	97	39.1 Å²	39.1	68%	0.678	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-64.2	135.9	169.4	54.7	0	0	0	0	109.8
448	P	93.3	Very high	92.7	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.052	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64	143.3	177.2	24.3	-30.1	0	0	0	110.9	L377 R440 I451 I486	L377-P448 HydrophobicContact CD2-CG 3.62Å; R440-P448 HydrophobicContact CG-CB 3.85Å; P448-I451 HydrophobicContact CB-CG2 4.09Å; P448-I451 HydrophobicContact CG-CG2 3.87Å; P448-I486 HydrophobicContact CB-CD1 4.18Å; P448-I486 HydrophobicContact CG-CD1 3.76Å; P448-I486 WeakPolarHBondContact O-CD1 3.45Å
449	K	93.9	Very high	92.8	Very high	90 Å²	90	41.3 Å²	41.3	39%	0.391	22%	0.22	S	C	.	.	S	Bend	trans	-81.7	-34.7	171.5	-179.4	174.8	177.1	-177.5	0	111.6	I212 G439 E441 L485 I486	I212-K449 HydrophobicContact CD1-CB 4.38Å; I212-K449 HydrophobicContact CD1-CD 4.39Å; G439-K449 PolarHBondContact O-N 3.08Å; E441-K449 IonicContact OE1-NZ 3.62Å; E441-K449 WeakPolarHBondContact OE2-CD 3.31Å; E441-K449 IonicContact OE2-NZ 3.96Å; E441-K449 PolarHBondContact OE2-NZ 2.85Å; K449-L485 HydrophobicContact CG-CD1 4.2Å; K449-I486 PolarHBondContact O-N 2.92Å
450	V	95.1	Very high	92.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.8	178.2	-177.5	0	0	0	0	108.1	Y205 L208 F210 I212 G439 D483 V484 L485	Y205-V450 HydrophobicContact CD1-CB 4.35Å; Y205-V450 HydrophobicContact CD1-CG1 3.53Å; Y205-V450 HydrophobicContact CE1-CB 4.06Å; Y205-V450 HydrophobicContact CE1-CG1 3.51Å; Y205-V450 HydrophobicContact CE2-CB 4.5Å; Y205-V450 HydrophobicContact CG-CG1 4.14Å; L208-V450 HydrophobicContact CD1-CG1 3.84Å; L208-V450 HydrophobicContact CD1-CG2 3.95Å; F210-V450 HydrophobicContact CE2-CG2 3.88Å; F210-V450 HydrophobicContact CZ-CG2 3.49Å; F210-V450 VanDerWaalsContact CZ-CG2 3.49Å; I212-V450 HydrophobicContact CD1-CB 4Å; I212-V450 HydrophobicContact CD1-CG2 3.62Å; G439-V450 WeakPolarHBondContact CA-O 3.35Å; V450-D483 HydrophobicContact CG1-CB 4.35Å; V450-V484 VanDerWaalsContact CA-O 3.3Å; V450-V484 WeakPolarHBondContact CA-O 3.26Å; V450-V484 WeakPolarHBondContact CG1-O 3.43Å; V450-L485 HydrophobicContact CG2-CD1 3.92Å
451	I	95.3	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.5	165.6	63	172.7	0	0	0	109.3	V373 L376 L377 D435 T436 P448 V453 V484 I486	V373-I451 HydrophobicContact CG1-CD1 4Å; V373-I451 HydrophobicContact CG2-CD1 4.32Å; L376-I451 HydrophobicContact CD1-CD1 4.44Å; L377-I451 HydrophobicContact CD2-CG2 4.06Å; D435-I451 WeakPolarHBondContact O-CA 3.25Å; D435-I451 WeakPolarHBondContact O-CB 3.42Å; T436-I451 HydrophobicContact CG2-CG2 4.27Å; P448-I451 HydrophobicContact CB-CG2 4.09Å; P448-I451 HydrophobicContact CG-CG2 3.87Å; I451-V453 HydrophobicContact CD1-CG2 3.99Å; I451-V453 HydrophobicContact CG1-CG2 4.24Å; I451-V484 HydrophobicContact CD1-CB 4.47Å; I451-V484 HydrophobicContact CG1-CB 3.8Å; I451-V484 HydrophobicContact CG1-CG1 4.42Å; I451-V484 HydrophobicContact CG1-CG2 4.46Å; I451-V484 PolarHBondContact N-O 3.45Å; I451-V484 PolarHBondContact O-N 2.92Å; I451-I486 HydrophobicContact CG2-CD1 3.73Å
452	R	95.7	Very high	92.9	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.5	175.8	175.7	174.4	-73.4	158.1	-4.2	109.3	N204 Y205 L246 M248 F432 D435 Y481 T482 D483	N204-R452 PolarHBondContact O-NH2 3.21Å; Y205-R452 VanDerWaalsContact CD1-NH2 3.27Å; L246-R452 PolarHBondContact O-NH1 3.47Å; M248-R452 VanDerWaalsContact CE-CD 3.42Å; F432-R452 HydrophobicContact CE2-CG 4.15Å; F432-R452 HydrophobicContact CZ-CG 4.08Å; D435-R452 HydrophobicContact CB-CB 4.25Å; D435-R452 PolarHBondContact N-O 3.41Å; D435-R452 PolarHBondContact O-N 3.02Å; R452-Y481 HydrophobicContact CG-CD1 3.99Å; R452-Y481 HydrophobicContact CG-CG 4.33Å; R452-T482 WeakPolarHBondContact CA-O 3.4Å; R452-D483 IonicContact CZ-OD1 3.67Å; R452-D483 VanDerWaalsContact CZ-OD1 3.22Å; R452-D483 IonicContact NE-OD1 3.68Å; R452-D483 PolarHBondContact NE-OD1 3.23Å; R452-D483 IonicContact NH2-OD1 2.86Å; R452-D483 PolarHBondContact NH2-OD1 2.8Å; R452-D483 IonicContact NH2-OD2 3.36Å; R452-D483 PolarHBondContact NH2-OD2 3.46Å
453	V	96.2	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.3	-173.1	-172.8	0	0	0	0	109.5	L376 L433 V434 I451 T455 Y481 T482 V494 I496	L376-V453 HydrophobicContact CD1-CG1 4.49Å; L376-V453 HydrophobicContact CD1-CG2 4.07Å; L433-V453 CarbonylContact O-C 3.59Å; V434-V453 HydrophobicContact CG1-CG2 4.4Å; I451-V453 HydrophobicContact CD1-CG2 3.99Å; I451-V453 HydrophobicContact CG1-CG2 4.24Å; V453-T455 HydrophobicContact CB-CG2 4.4Å; V453-T455 PolarHBondContact O-N 2.92Å; V453-T455 VanDerWaalsContact O-N 3.09Å; V453-Y481 CarbonylContact O-C 3.58Å; V453-Y481 VanDerWaalsContact O-CA 3.23Å; V453-Y481 WeakPolarHBondContact O-CA 3.32Å; V453-T482 PolarHBondContact N-O 3.16Å; V453-T482 PolarHBondContact O-N 3.21Å; V453-V494 HydrophobicContact CB-CG1 4.26Å; V453-V494 HydrophobicContact CG1-CG1 4.28Å; V453-V494 HydrophobicContact CG2-CG1 4.5Å; V453-I496 HydrophobicContact CG1-CD1 4.03Å
454	A	96.1	Very high	93.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	93.5	169.5	0	0	0	0	0	109.1	L433 V457 T480 Y481	L433-A454 HydrophobicContact CD2-CB 4.12Å; L433-A454 WeakPolarHBondContact O-CB 3.5Å; L433-A454 PolarHBondContact O-N 3.4Å; A454-V457 HydrophobicContact CB-CG2 4.33Å; A454-T480 CarbonylContact C-O 3.48Å; A454-Y481 HydrophobicContact CB-CD1 3.99Å; A454-Y481 HydrophobicContact CB-CE1 3.78Å
455	T	95.7	Very high	93	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-19.5	-175.3	49.6	0	0	0	0	113.1	V453 T480 T482 V494 P495 I496 T497	V453-T455 HydrophobicContact CB-CG2 4.4Å; V453-T455 PolarHBondContact O-N 2.92Å; V453-T455 VanDerWaalsContact O-N 3.09Å; T455-T480 PolarHBondContact N-O 2.9Å; T455-T480 PolarHBondContact OG1-O 3.05Å; T455-T482 VanDerWaalsContact CG2-OG1 3.25Å; T455-T482 WeakPolarHBondContact CG2-OG1 3.41Å; T455-T482 PolarHBondContact OG1-OG1 3.4Å; T455-V494 HydrophobicContact CG2-CG1 3.59Å; T455-P495 WeakPolarHBondContact CB-O 3.47Å; T455-P495 WeakPolarHBondContact CG2-O 3.46Å; T455-I496 CarbonylContact O-C 3.57Å; T455-I496 WeakPolarHBondContact O-CA 3.31Å; T455-T497 PolarHBondContact O-N 3.03Å; T455-T497 PolarHBondContact O-OG1 3.17Å
456	S	96.4	Very high	92.3	Very high	32 Å²	32	36 Å²	36	22%	0.224	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	121	173.6	-179.2	0	0	0	0	110.3	L479 T480 T497	S456-L479 WeakPolarHBondContact O-CA 3.42Å; S456-T480 PolarHBondContact N-O 2.86Å; S456-T480 PolarHBondContact O-N 3.39Å; S456-T497 WeakPolarHBondContact CA-O 3.22Å; S456-T497 WeakPolarHBondContact CA-OG1 3.35Å
457	V	95.9	Very high	91.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111.3	171.5	-178.1	0	0	0	0	108	L345 L433 A454 M477 L479 T497 F498 A499	L345-V457 HydrophobicContact CD1-CG1 4.44Å; L345-V457 HydrophobicContact CD2-CG1 4.39Å; L345-V457 HydrophobicContact CG-CG1 4.29Å; L433-V457 HydrophobicContact CD2-CG2 4.28Å; A454-V457 HydrophobicContact CB-CG2 4.33Å; V457-M477 HydrophobicContact CG1-SD 4.31Å; V457-L479 HydrophobicContact CB-CD2 4.07Å; V457-L479 HydrophobicContact CG1-CD2 3.84Å; V457-L479 HydrophobicContact CG2-CD2 3.71Å; V457-T497 PolarHBondContact N-O 3Å; V457-F498 HydrophobicContact CB-CD2 3.87Å; V457-F498 HydrophobicContact CB-CE2 4.37Å; V457-F498 HydrophobicContact CG1-CD2 3.89Å; V457-F498 HydrophobicContact CG1-CE2 3.86Å; V457-F498 VanDerWaalsContact O-CA 3.32Å; V457-F498 WeakPolarHBondContact O-CA 3.28Å; V457-A499 PolarHBondContact O-N 3.08Å
458	K	95.8	Very high	90.5	Very high	49 Å²	49	39.3 Å²	39.3	21%	0.213	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.4	-177.9	173.5	167.9	161.4	162	0	110.7	M477 T478 A499 D501	K458-M477 CarbonylContact O-C 3.53Å; K458-M477 WeakPolarHBondContact O-CA 3.11Å; K458-T478 PolarHBondContact N-O 3.34Å; K458-T478 PolarHBondContact O-N 2.97Å; K458-A499 CarbonylContact C-O 3.55Å; K458-A499 WeakPolarHBondContact CA-O 3.39Å; K458-A499 HydrophobicContact CB-CB 4.46Å; K458-A499 HydrophobicContact CG-CB 4.36Å; K458-D501 WeakPolarHBondContact CE-OD2 3.49Å; K458-D501 IonicContact NZ-OD2 2.97Å; K458-D501 PolarHBondContact NZ-OD2 3.32Å
459	I	95.6	Very high	89.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.6	173	-52.3	178.1	0	0	0	108.5	L323 L345 L403 F461 P475 M477 F498 A499 M500 D501	L323-I459 HydrophobicContact CD1-CD1 3.58Å; L345-I459 HydrophobicContact CD2-CD1 4.28Å; L403-I459 HydrophobicContact CD2-CD1 4.37Å; L403-I459 HydrophobicContact CD2-CG2 4.21Å; I459-F461 HydrophobicContact CB-CE2 4.43Å; I459-F461 HydrophobicContact CG2-CD2 4.36Å; I459-F461 HydrophobicContact CG2-CE2 3.6Å; I459-F461 HydrophobicContact CG2-CZ 4.01Å; I459-P475 HydrophobicContact CG2-CB 4.24Å; I459-M477 HydrophobicContact CG1-CG 4.23Å; I459-F498 HydrophobicContact CD1-CZ 4.5Å; I459-A499 PolarHBondContact N-O 2.87Å; I459-M500 HydrophobicContact CB-CE 4.29Å; I459-M500 HydrophobicContact CB-SD 3.68Å; I459-M500 HydrophobicContact CD1-SD 4.02Å; I459-M500 HydrophobicContact CG1-SD 4.11Å; I459-M500 WeakPolarHBondContact O-CA 3.33Å; I459-D501 PolarHBondContact O-N 3.17Å
460	R	94.4	Very high	89.1	Confident	66 Å²	66	40.2 Å²	40.2	25%	0.249	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.3	-174	-176.3	-165.6	-67.1	-141.8	0.9	110.6	P475 L476 D501 E503	R460-P475 WeakPolarHBondContact O-CA 3.05Å; R460-L476 PolarHBondContact N-O 3.35Å; R460-L476 PolarHBondContact O-N 2.95Å; R460-D501 CarbonylContact C-O 3.57Å; R460-D501 WeakPolarHBondContact CA-O 3.2Å; R460-E503 VanDerWaalsContact CD-CD 3.47Å; R460-E503 WeakPolarHBondContact CD-OE1 3.42Å; R460-E503 WeakPolarHBondContact CD-OE2 3.31Å; R460-E503 HydrophobicContact CG-CG 4.25Å; R460-E503 IonicContact CZ-OE2 3.84Å; R460-E503 IonicContact NE-OE2 3.23Å; R460-E503 IonicContact NH1-OE1 3.64Å; R460-E503 PolarHBondContact NH1-OE1 2.93Å; R460-E503 IonicContact NH1-OE2 3.85Å; R460-E503 PolarHBondContact NH1-OE2 3.33Å
461	F	93.8	Very high	88.9	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.9	176	-66.7	-96.7	0	0	0	109.7	I321 F361 I459 I472 P475 M500 D501 Y502 E503	I321-F461 HydrophobicContact CD1-CE1 4.28Å; I321-F461 HydrophobicContact CD1-CE2 3.97Å; I321-F461 HydrophobicContact CD1-CZ 3.74Å; I321-F461 HydrophobicContact CG1-CZ 4.37Å; I321-F461 HydrophobicContact CG2-CE1 4.48Å; I321-F461 HydrophobicContact CG2-CZ 3.93Å; F361-F461 HydrophobicContact CD2-CD1 4.29Å; F361-F461 HydrophobicContact CE2-CB 4.09Å; F361-F461 AromaticContact CE2-CD1 3.94Å; F361-F461 HydrophobicContact CE2-CD1 3.94Å; F361-F461 HydrophobicContact CE2-CG 4.12Å; I459-F461 HydrophobicContact CB-CE2 4.43Å; I459-F461 HydrophobicContact CG2-CD2 4.36Å; I459-F461 HydrophobicContact CG2-CE2 3.6Å; I459-F461 HydrophobicContact CG2-CZ 4.01Å; F461-I472 HydrophobicContact CD1-CD1 3.6Å; F461-I472 HydrophobicContact CE1-CD1 4.07Å; F461-P475 HydrophobicContact CD1-CB 3.99Å; F461-P475 HydrophobicContact CD1-CG 3.69Å; F461-P475 HydrophobicContact CE1-CB 3.76Å; F461-P475 HydrophobicContact CE1-CG 3.37Å; F461-P475 HydrophobicContact CZ-CB 4.06Å; F461-P475 HydrophobicContact CZ-CG 4.09Å; F461-M500 HydrophobicContact CE2-CE 3.62Å; F461-M500 HydrophobicContact CZ-CE 4.23Å; F461-D501 PolarHBondContact N-O 3.47Å; F461-Y502 HydrophobicContact CB-CD1 3.68Å; F461-Y502 HydrophobicContact CB-CE1 4.03Å; F461-Y502 HydrophobicContact CD2-CD1 4.13Å; F461-Y502 AromaticContact CD2-CE1 3.68Å; F461-Y502 HydrophobicContact CD2-CE1 3.68Å; F461-Y502 HydrophobicContact CE2-CE1 4.39Å; F461-Y502 HydrophobicContact CG-CD1 4.07Å; F461-Y502 AromaticContact CG-CE1 3.89Å; F461-Y502 HydrophobicContact CG-CE1 3.89Å; F461-Y502 WeakPolarHBondContact O-CA 3.47Å; F461-E503 PolarHBondContact O-N 3.47Å
462	Q	92.4	Very high	88.7	Confident	37 Å²	37	41.6 Å²	41.6	17%	0.173	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125	176.7	-174	177.1	4	0	0	110.1	I472 F473 E503	Q462-I472 WeakPolarHBondContact O-CA 3.46Å; Q462-I472 WeakPolarHBondContact O-CB 3.31Å; Q462-F473 HydrophobicContact CB-CB 4.48Å; Q462-F473 HydrophobicContact CB-CD2 4.48Å; Q462-F473 HydrophobicContact CG-CD2 4.14Å; Q462-F473 PolarHBondContact O-N 3.34Å; Q462-E503 WeakPolarHBondContact CA-O 3.34Å; Q462-E503 HydrophobicContact CB-CG 4.08Å; Q462-E503 HydrophobicContact CG-CG 4.11Å
463	L	91.2	Very high	88.6	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-73.3	139	175.3	-167	72.7	0	0	0	110.8	P465 L471 I472 E503 M504 V585 L588	L463-P465 WeakPolarHBondContact O-CD 3.36Å; L463-L471 WeakPolarHBondContact CD1-O 3.39Å; L463-I472 HydrophobicContact CD1-CG2 4.4Å; L463-E503 PolarHBondContact N-O 3.43Å; L463-M504 HydrophobicContact CB-CB 4.14Å; L463-V585 HydrophobicContact CD1-CB 4.39Å; L463-V585 HydrophobicContact CD1-CG1 3.79Å; L463-V585 HydrophobicContact CD2-CG1 4.37Å; L463-L588 HydrophobicContact CB-CD1 3.86Å
464	V	89.3	Confident	88.4	Confident	18 Å²	18	43.1 Å²	43.1	11%	0.109	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-67.8	125.1	175.4	178.8	0	0	0	0	109.5	P305 N467 L471 F473	P305-V464 HydrophobicContact CB-CG2 3.95Å; P305-V464 HydrophobicContact CG-CG1 4.46Å; P305-V464 HydrophobicContact CG-CG2 3.95Å; V464-N467 HydrophobicContact CB-CB 4.21Å; V464-N467 HydrophobicContact CG1-CB 4.17Å; V464-N467 PolarHBondContact O-N 3.45Å; V464-L471 WeakPolarHBondContact CB-O 3.36Å; V464-L471 HydrophobicContact CG2-CB 4.22Å; V464-L471 WeakPolarHBondContact CG2-O 3.07Å; V464-L471 PolarHBondContact N-O 3.48Å; V464-F473 HydrophobicContact CB-CE2 4.47Å; V464-F473 HydrophobicContact CB-CZ 4.5Å; V464-F473 HydrophobicContact CG1-CZ 4.19Å; V464-F473 HydrophobicContact CG2-CD1 4.08Å; V464-F473 HydrophobicContact CG2-CD2 4.18Å; V464-F473 HydrophobicContact CG2-CE1 4.06Å; V464-F473 HydrophobicContact CG2-CE2 4.19Å; V464-F473 HydrophobicContact CG2-CG 4.13Å; V464-F473 HydrophobicContact CG2-CZ 4.12Å
465	P	82.8	Confident	88.4	Confident	63 Å²	63	43.1 Å²	43.1	41%	0.409	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	141.9	-179.5	-23.9	31.9	0	0	0	112.2	L463 N467	L463-P465 WeakPolarHBondContact O-CD 3.36Å; P465-N467 PolarHBondContact O-N 3.37Å
466	R	73.7	Confident	88.4	Confident	232 Å²	232	43 Å²	43	88%	0.875	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	8.1	174.3	-53.9	179	177.9	174.7	1.4	115.5
467	N	70.8	Confident	88.4	Confident	41 Å²	41	41.4 Å²	41.4	22%	0.219	19%	0.191	C	C	.	.			trans	-92.9	125.8	174.5	-159.2	-19.3	0	0	0	110.2	V464 P465 E469 L471	V464-N467 HydrophobicContact CB-CB 4.21Å; V464-N467 HydrophobicContact CG1-CB 4.17Å; V464-N467 PolarHBondContact O-N 3.45Å; P465-N467 PolarHBondContact O-N 3.37Å; N467-E469 VanDerWaalsContact C-N 3.33Å; N467-E469 WeakPolarHBondContact OD1-CB 3.32Å; N467-E469 WeakPolarHBondContact OD1-CG 3.33Å; N467-E469 PolarHBondContact OD1-N 2.88Å; N467-E469 VanDerWaalsContact OD1-N 3.1Å; N467-L471 WeakPolarHBondContact ND2-CD1 3.47Å
468	Q	68.2	Low	88.4	Confident	160 Å²	160	41.8 Å²	41.8	75%	0.748	19%	0.193	S	C	*	.	S	Bend	trans	-91.8	1.4	179.4	-65	-174	-9	0	0	112.7
469	E	76.8	Confident	88.4	Confident	118 Å²	118	39.5 Å²	39.5	55%	0.551	18%	0.183	S	C	*	.	S	Bend	trans	-94.7	0	-173.8	-60.1	-177.6	166.8	0	0	113.6	V309 N467 L471	V309-E469 WeakPolarHBondContact CG1-O 3.45Å; N467-E469 VanDerWaalsContact C-N 3.33Å; N467-E469 WeakPolarHBondContact OD1-CB 3.32Å; N467-E469 WeakPolarHBondContact OD1-CG 3.33Å; N467-E469 PolarHBondContact OD1-N 2.88Å; N467-E469 VanDerWaalsContact OD1-N 3.1Å; E469-L471 HydrophobicContact CB-CG 4.44Å
470	G	81.1	Confident	88.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.			trans	73.5	29.9	-179.4	0	0	0	0	0	114.7	F310 V585	F310-G470 PolarHBondContact N-O 3.41Å; F310-G470 VanDerWaalsContact N-O 3.11Å; G470-V585 WeakPolarHBondContact CA-O 3.38Å; G470-V585 PolarHBondContact N-O 3.33Å
471	L	89.6	Confident	88.5	Confident	28 Å²	28	37.9 Å²	37.9	15%	0.147	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-80.1	139.6	173.1	-68.2	176.1	0	0	0	111	P305 V309 L463 V464 N467 E469	P305-L471 HydrophobicContact CB-CB 4.43Å; V309-L471 HydrophobicContact CG2-CD2 3.56Å; V309-L471 HydrophobicContact CG2-CG 4.27Å; L463-L471 WeakPolarHBondContact CD1-O 3.39Å; V464-L471 WeakPolarHBondContact CB-O 3.36Å; V464-L471 HydrophobicContact CG2-CB 4.22Å; V464-L471 WeakPolarHBondContact CG2-O 3.07Å; V464-L471 PolarHBondContact N-O 3.48Å; N467-L471 WeakPolarHBondContact ND2-CD1 3.47Å; E469-L471 HydrophobicContact CB-CG 4.44Å
472	I	91.7	Very high	88.6	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-113.8	156.3	178.2	61	166.5	0	0	0	110.8	P305 V306 F310 F361 F461 Q462 L463 P475	P305-I472 WeakPolarHBondContact CA-O 3.19Å; V306-I472 HydrophobicContact CB-CG1 4.07Å; V306-I472 HydrophobicContact CG2-CD1 4.47Å; V306-I472 HydrophobicContact CG2-CG1 4.14Å; V306-I472 PolarHBondContact N-O 2.87Å; F310-I472 HydrophobicContact CD2-CD1 4.27Å; F310-I472 HydrophobicContact CD2-CG1 4.39Å; F310-I472 HydrophobicContact CD2-CG2 4.24Å; F310-I472 HydrophobicContact CE2-CD1 3.58Å; F310-I472 HydrophobicContact CE2-CG1 4.08Å; F310-I472 HydrophobicContact CZ-CD1 4.47Å; F361-I472 HydrophobicContact CE2-CG2 3.93Å; F361-I472 HydrophobicContact CZ-CG2 3.83Å; F461-I472 HydrophobicContact CD1-CD1 3.6Å; F461-I472 HydrophobicContact CE1-CD1 4.07Å; Q462-I472 WeakPolarHBondContact O-CA 3.46Å; Q462-I472 WeakPolarHBondContact O-CB 3.31Å; L463-I472 HydrophobicContact CD1-CG2 4.4Å; I472-P475 HydrophobicContact CD1-CG 4.1Å
473	F	92.6	Very high	88.7	Confident	20 Å²	20	38.8 Å²	38.8	9%	0.088	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-75.5	164.3	161.2	-75	-55.7	0	0	0	111.4	L301 Q302 Q462 V464	L301-F473 WeakPolarHBondContact O-CB 3.37Å; L301-F473 WeakPolarHBondContact O-CG 3.36Å; Q302-F473 WeakPolarHBondContact O-CE1 3.36Å; Q462-F473 HydrophobicContact CB-CB 4.48Å; Q462-F473 HydrophobicContact CB-CD2 4.48Å; Q462-F473 HydrophobicContact CG-CD2 4.14Å; Q462-F473 PolarHBondContact O-N 3.34Å; V464-F473 HydrophobicContact CB-CE2 4.47Å; V464-F473 HydrophobicContact CB-CZ 4.5Å; V464-F473 HydrophobicContact CG1-CZ 4.19Å; V464-F473 HydrophobicContact CG2-CD1 4.08Å; V464-F473 HydrophobicContact CG2-CD2 4.18Å; V464-F473 HydrophobicContact CG2-CE1 4.06Å; V464-F473 HydrophobicContact CG2-CE2 4.19Å; V464-F473 HydrophobicContact CG2-CG 4.13Å; V464-F473 HydrophobicContact CG2-CZ 4.12Å
474	P	93.3	Very high	88.9	Confident	18 Å²	18	39.5 Å²	39.5	12%	0.117	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-50.9	124.6	176.2	-31.2	39.6	0	0	0	111.6	V300 D304 V306 L401 L476	V300-P474 WeakPolarHBondContact O-CG 3.48Å; D304-P474 WeakPolarHBondContact O-CD 3.23Å; V306-P474 HydrophobicContact CG2-CG 4.25Å; L401-P474 HydrophobicContact CD2-CB 4.41Å; P474-L476 PolarHBondContact O-N 3.44Å
475	P	95	Very high	89.2	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-62.1	134.4	-178.9	-21.6	31.8	0	0	0	111.2	M390 P404 I459 R460 F461 I472	M390-P475 HydrophobicContact SD-CG 3.98Å; P404-P475 WeakPolarHBondContact CD-O 3.02Å; I459-P475 HydrophobicContact CG2-CB 4.24Å; R460-P475 WeakPolarHBondContact O-CA 3.05Å; F461-P475 HydrophobicContact CD1-CB 3.99Å; F461-P475 HydrophobicContact CD1-CG 3.69Å; F461-P475 HydrophobicContact CE1-CB 3.76Å; F461-P475 HydrophobicContact CE1-CG 3.37Å; F461-P475 HydrophobicContact CZ-CB 4.06Å; F461-P475 HydrophobicContact CZ-CG 4.09Å; I472-P475 HydrophobicContact CD1-CG 4.1Å
476	L	95.6	Very high	89.6	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.1	177.7	178.4	64.3	0	0	0	109.5	L301 L406 W425 L427 R460 P474	L301-L476 HydrophobicContact CD1-CD1 3.99Å; L301-L476 HydrophobicContact CD1-CD2 4.14Å; L301-L476 HydrophobicContact CD1-CG 4.49Å; L301-L476 HydrophobicContact CD2-CB 4.18Å; L301-L476 HydrophobicContact CD2-CD1 4.1Å; L406-L476 HydrophobicContact CB-CD1 4.07Å; W425-L476 HydrophobicContact CH2-CD2 4.44Å; W425-L476 HydrophobicContact CZ3-CD2 3.9Å; L427-L476 HydrophobicContact CD2-CD1 3.86Å; R460-L476 PolarHBondContact N-O 3.35Å; R460-L476 PolarHBondContact O-N 2.95Å; P474-L476 PolarHBondContact O-N 3.44Å
477	M	96.1	Very high	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.3	167	-174.7	167.7	61	0	0	109.6	I388 P404 T405 L406 M431 V457 K458 I459 L479	I388-M477 HydrophobicContact CD1-CE 3.84Å; I388-M477 HydrophobicContact CD1-SD 3.73Å; I388-M477 HydrophobicContact CG1-CE 4.49Å; P404-M477 PolarHBondContact O-N 2.75Å; T405-M477 CarbonylContact C-O 3.52Å; T405-M477 VanDerWaalsContact CA-O 3.31Å; T405-M477 WeakPolarHBondContact CA-O 3.38Å; T405-M477 HydrophobicContact CG2-CE 3.7Å; T405-M477 WeakPolarHBondContact OG1-CE 2.98Å; L406-M477 PolarHBondContact N-O 3.48Å; M431-M477 HydrophobicContact CG-CE 4.12Å; M431-M477 HydrophobicContact SD-CE 3.45Å; M431-M477 WeakPolarHBondContact SD-CE 3.36Å; M431-M477 HydrophobicContact SD-SD 3.82Å; V457-M477 HydrophobicContact CG1-SD 4.31Å; K458-M477 CarbonylContact O-C 3.53Å; K458-M477 WeakPolarHBondContact O-CA 3.11Å; I459-M477 HydrophobicContact CG1-CG 4.23Å; M477-L479 HydrophobicContact CE-CD1 4.25Å; M477-L479 HydrophobicContact CG-CD2 4.18Å; M477-L479 HydrophobicContact CG-CG 4.29Å; M477-L479 HydrophobicContact SD-CD2 4.24Å
478	T	96.6	Very high	91.2	Very high	11 Å²	11	36 Å²	36	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.5	174.3	-54.7	0	0	0	0	108.9	L406 E408 K458	L406-T478 HydrophobicContact CD2-CG2 4.34Å; L406-T478 WeakPolarHBondContact O-CA 3.37Å; E408-T478 HydrophobicContact CG-CG2 3.85Å; K458-T478 PolarHBondContact N-O 3.34Å; K458-T478 PolarHBondContact O-N 2.97Å
479	L	95.9	Very high	92.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.7	-178.3	-64.1	178.4	0	0	0	110.8	T405 L406 V407 E408 M431 S456 V457 M477 Y481	T405-L479 HydrophobicContact CG2-CD1 3.36Å; T405-L479 HydrophobicContact CG2-CG 3.81Å; L406-L479 PolarHBondContact O-N 3.28Å; V407-L479 HydrophobicContact CG2-CB 4.43Å; V407-L479 HydrophobicContact CG2-CD1 4.41Å; E408-L479 PolarHBondContact N-O 3.43Å; M431-L479 HydrophobicContact CB-CD1 3.39Å; M431-L479 HydrophobicContact CE-CD1 4.49Å; M431-L479 HydrophobicContact CE-CD2 4.41Å; M431-L479 HydrophobicContact CG-CD1 4.12Å; M431-L479 HydrophobicContact SD-CD1 3.77Å; M431-L479 HydrophobicContact SD-CD2 4.08Å; S456-L479 WeakPolarHBondContact O-CA 3.42Å; V457-L479 HydrophobicContact CB-CD2 4.07Å; V457-L479 HydrophobicContact CG1-CD2 3.84Å; V457-L479 HydrophobicContact CG2-CD2 3.71Å; M477-L479 HydrophobicContact CE-CD1 4.25Å; M477-L479 HydrophobicContact CG-CD2 4.18Å; M477-L479 HydrophobicContact CG-CG 4.29Å; M477-L479 HydrophobicContact SD-CD2 4.24Å; L479-Y481 HydrophobicContact CB-CE2 4.08Å; L479-Y481 HydrophobicContact CD1-CE2 4.34Å
480	T	96.4	Very high	92.8	Very high	30 Å²	30	32.3 Å²	32.3	18%	0.184	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127	168.7	-37.2	0	0	0	0	108.2	E408 A454 T455 S456	E408-T480 WeakPolarHBondContact OE2-CG2 3.48Å; E408-T480 PolarHBondContact OE2-OG1 2.67Å; A454-T480 CarbonylContact C-O 3.48Å; T455-T480 PolarHBondContact N-O 2.9Å; T455-T480 PolarHBondContact OG1-O 3.05Å; S456-T480 PolarHBondContact N-O 2.86Å; S456-T480 PolarHBondContact O-N 3.39Å
481	Y	95.9	Very high	93.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.7	173.5	-66	-90.9	0	0	0	110	Q207 M248 V407 N409 F432 R452 V453 A454 L479	Q207-Y481 PolarHBondContact NE2-O 3.02Å; M248-Y481 HydrophobicContact CE-CD1 4.12Å; M248-Y481 HydrophobicContact CE-CD2 3.87Å; M248-Y481 HydrophobicContact CE-CE1 4.18Å; M248-Y481 HydrophobicContact CE-CE2 3.95Å; M248-Y481 HydrophobicContact CE-CG 3.96Å; M248-Y481 HydrophobicContact SD-CD1 4.46Å; M248-Y481 HydrophobicContact SD-CD2 3.48Å; M248-Y481 WeakPolarHBondContact SD-CD2 3.38Å; M248-Y481 HydrophobicContact SD-CE2 4.06Å; M248-Y481 HydrophobicContact SD-CG 3.72Å; V407-Y481 HydrophobicContact CG1-CD2 3.97Å; V407-Y481 HydrophobicContact CG1-CE2 3.9Å; V407-Y481 HydrophobicContact CG2-CE2 4.43Å; N409-Y481 PolarHBondContact ND2-O 3.5Å; N409-Y481 PolarHBondContact OD1-N 3.32Å; N409-Y481 PolarHBondContact OD1-O 2.97Å; F432-Y481 HydrophobicContact CD1-CE1 4.36Å; F432-Y481 AromaticContact CD2-CE1 3.89Å; F432-Y481 HydrophobicContact CD2-CE1 3.89Å; F432-Y481 HydrophobicContact CE1-CE1 4.07Å; F432-Y481 AromaticContact CE2-CD1 3.94Å; F432-Y481 HydrophobicContact CE2-CD1 3.94Å; F432-Y481 AromaticContact CE2-CE1 3.55Å; F432-Y481 HydrophobicContact CE2-CE1 3.55Å; F432-Y481 HydrophobicContact CG-CE1 4.28Å; F432-Y481 HydrophobicContact CZ-CD1 4.04Å; F432-Y481 AromaticContact CZ-CE1 3.67Å; F432-Y481 HydrophobicContact CZ-CE1 3.67Å; F432-Y481 PolarHBondContact N-OH 2.87Å; F432-Y481 VanDerWaalsContact O-CE1 3.28Å; F432-Y481 WeakPolarHBondContact O-CE1 3.34Å; F432-Y481 PolarHBondContact O-OH 3.3Å; R452-Y481 HydrophobicContact CG-CD1 3.99Å; R452-Y481 HydrophobicContact CG-CG 4.33Å; V453-Y481 CarbonylContact O-C 3.58Å; V453-Y481 VanDerWaalsContact O-CA 3.23Å; V453-Y481 WeakPolarHBondContact O-CA 3.32Å; A454-Y481 HydrophobicContact CB-CD1 3.99Å; A454-Y481 HydrophobicContact CB-CE1 3.78Å; L479-Y481 HydrophobicContact CB-CE2 4.08Å; L479-Y481 HydrophobicContact CD1-CE2 4.34Å
482	T	95.8	Very high	93.4	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.5	171.7	-57.8	0	0	0	0	109.8	R452 V453 T455 V484	R452-T482 WeakPolarHBondContact CA-O 3.4Å; V453-T482 PolarHBondContact N-O 3.16Å; V453-T482 PolarHBondContact O-N 3.21Å; T455-T482 VanDerWaalsContact CG2-OG1 3.25Å; T455-T482 WeakPolarHBondContact CG2-OG1 3.41Å; T455-T482 PolarHBondContact OG1-OG1 3.4Å; T482-V484 HydrophobicContact CG2-CG2 4.31Å
483	D	95.2	Very high	93.5	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.059	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.5	175.4	-62.1	-26.1	0	0	0	108.8	Y205 Q207 L208 V450 R452	Y205-D483 VanDerWaalsContact CA-OD2 3.31Å; Y205-D483 WeakPolarHBondContact CA-OD2 3.44Å; Y205-D483 HydrophobicContact CD1-CB 4.08Å; Q207-D483 HydrophobicContact CB-CB 4.22Å; L208-D483 HydrophobicContact CD1-CB 3.89Å; L208-D483 HydrophobicContact CG-CB 3.87Å; V450-D483 HydrophobicContact CG1-CB 4.35Å; R452-D483 IonicContact CZ-OD1 3.67Å; R452-D483 VanDerWaalsContact CZ-OD1 3.22Å; R452-D483 IonicContact NE-OD1 3.68Å; R452-D483 PolarHBondContact NE-OD1 3.23Å; R452-D483 IonicContact NH2-OD1 2.86Å; R452-D483 PolarHBondContact NH2-OD1 2.8Å; R452-D483 IonicContact NH2-OD2 3.36Å; R452-D483 PolarHBondContact NH2-OD2 3.46Å
484	V	94.8	Very high	93.6	Very high	22 Å²	22	40.5 Å²	40.5	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.9	-175.8	-176.3	0	0	0	0	109.5	V373 V450 I451 T482 I486 V494	V373-V484 HydrophobicContact CG2-CG1 4.38Å; V450-V484 VanDerWaalsContact CA-O 3.3Å; V450-V484 WeakPolarHBondContact CA-O 3.26Å; V450-V484 WeakPolarHBondContact CG1-O 3.43Å; I451-V484 HydrophobicContact CD1-CB 4.47Å; I451-V484 HydrophobicContact CG1-CB 3.8Å; I451-V484 HydrophobicContact CG1-CG1 4.42Å; I451-V484 HydrophobicContact CG1-CG2 4.46Å; I451-V484 PolarHBondContact N-O 3.45Å; I451-V484 PolarHBondContact O-N 2.92Å; T482-V484 HydrophobicContact CG2-CG2 4.31Å; V484-I486 PolarHBondContact O-N 3.44Å; V484-V494 HydrophobicContact CG1-CG2 4.41Å; V484-V494 HydrophobicContact CG2-CG1 4.43Å; V484-V494 HydrophobicContact CG2-CG2 3.87Å
485	L	94.9	Very high	93.7	Very high	71 Å²	71	43.5 Å²	43.5	37%	0.372	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.3	172.7	-178.3	69.8	0	0	0	109.7	L208 F210 K449 V450 T487 Q492	L208-L485 HydrophobicContact CD1-CB 4.23Å; F210-L485 HydrophobicContact CZ-CD1 4.16Å; K449-L485 HydrophobicContact CG-CD1 4.2Å; V450-L485 HydrophobicContact CG2-CD1 3.92Å; L485-T487 HydrophobicContact CD2-CG2 4.44Å; L485-T487 HydrophobicContact CG-CG2 4.45Å; L485-T487 PolarHBondContact O-N 3.28Å; L485-Q492 PolarHBondContact O-NE2 2.79Å; L485-Q492 PolarHBondContact O-OE1 2.65Å
486	I	92.4	Very high	93.7	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.159	25%	0.251	C	S	.	.			trans	-76.7	112.9	-179.3	-64.8	169	0	0	0	108.8	V373 P448 K449 I451 V484 I489	V373-I486 HydrophobicContact CG1-CG1 4.38Å; P448-I486 HydrophobicContact CB-CD1 4.18Å; P448-I486 HydrophobicContact CG-CD1 3.76Å; P448-I486 WeakPolarHBondContact O-CD1 3.45Å; K449-I486 PolarHBondContact O-N 2.92Å; I451-I486 HydrophobicContact CG2-CD1 3.73Å; V484-I486 PolarHBondContact O-N 3.44Å; I486-I489 HydrophobicContact CG2-CD1 4.32Å; I486-I489 HydrophobicContact CG2-CG1 3.62Å
487	T	90.3	Very high	93.6	Very high	111 Å²	111	45.4 Å²	45.4	68%	0.681	26%	0.261	S	S	*	.	S	Bend	trans	-112	-40.8	171.8	65.7	0	0	0	0	111.7	L485 Q492	L485-T487 HydrophobicContact CD2-CG2 4.44Å; L485-T487 HydrophobicContact CG-CG2 4.45Å; L485-T487 PolarHBondContact O-N 3.28Å; T487-Q492 VanDerWaalsContact N-NE2 3.13Å; T487-Q492 PolarHBondContact OG1-NE2 3.09Å
488	D	87.8	Confident	93.6	Very high	68 Å²	68	45.7 Å²	45.7	36%	0.364	26%	0.262	S	S	.	.			trans	-145.6	118.7	177.4	-177.3	2	0	0	0	108.8	D490 T491 Q492	D488-D490 PolarHBondContact OD1-N 3.37Å; D488-T491 WeakPolarHBondContact CB-OG1 3.43Å; D488-T491 VanDerWaalsContact OD2-CG2 3.3Å; D488-T491 WeakPolarHBondContact OD2-CG2 3.47Å; D488-T491 PolarHBondContact OD2-OG1 3.27Å; D488-Q492 VanDerWaalsContact O-CB 3.26Å; D488-Q492 WeakPolarHBondContact O-CB 3.17Å; D488-Q492 WeakPolarHBondContact O-CG 3.02Å; D488-Q492 PolarHBondContact O-N 2.83Å
489	I	89.8	Confident	93.5	Very high	65 Å²	65	45.8 Å²	45.8	33%	0.333	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.9	-170.1	-65	169.6	0	0	0	111.2	A374 L377 I486	A374-I489 HydrophobicContact CB-CG2 3.83Å; A374-I489 PolarHBondContact N-O 3.31Å; L377-I489 HydrophobicContact CD1-CG2 4.15Å; I486-I489 HydrophobicContact CG2-CD1 4.32Å; I486-I489 HydrophobicContact CG2-CG1 3.62Å
490	D	88	Confident	93.4	Very high	134 Å²	134	45.8 Å²	45.8	72%	0.717	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-20.3	-170.1	-63.1	-37.3	0	0	0	112.9	D488	D488-D490 PolarHBondContact OD1-N 3.37Å
491	T	89.8	Confident	93.2	Very high	97 Å²	97	45.8 Å²	45.8	60%	0.595	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-20.4	-175.9	62.1	0	0	0	0	113.8	D488	D488-T491 WeakPolarHBondContact CB-OG1 3.43Å; D488-T491 VanDerWaalsContact OD2-CG2 3.3Å; D488-T491 WeakPolarHBondContact OD2-CG2 3.47Å; D488-T491 PolarHBondContact OD2-OG1 3.27Å
492	Q	93.6	Very high	93	Very high	37 Å²	37	46.3 Å²	46.3	17%	0.173	27%	0.266	C	S	.	.			trans	-76	134.5	-178.8	-77	-177.8	-12.7	0	0	111.9	V373 L485 T487 D488	V373-Q492 HydrophobicContact CB-CB 4.23Å; V373-Q492 HydrophobicContact CG2-CB 3.65Å; V373-Q492 PolarHBondContact N-O 3.14Å; L485-Q492 PolarHBondContact O-NE2 2.79Å; L485-Q492 PolarHBondContact O-OE1 2.65Å; T487-Q492 VanDerWaalsContact N-NE2 3.13Å; T487-Q492 PolarHBondContact OG1-NE2 3.09Å; D488-Q492 VanDerWaalsContact O-CB 3.26Å; D488-Q492 WeakPolarHBondContact O-CB 3.17Å; D488-Q492 WeakPolarHBondContact O-CG 3.02Å; D488-Q492 PolarHBondContact O-N 2.83Å
493	T	94.1	Very high	92.7	Very high	85 Å²	85	45.7 Å²	45.7	52%	0.521	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155	174.3	54.3	0	0	0	0	110.9	L371	L371-T493 CarbonylContact O-C 3.6Å; L371-T493 WeakPolarHBondContact O-CA 3.48Å
494	V	93.8	Very high	92.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.9	-178.6	-175.2	0	0	0	0	108.7	D370 L371 V373 L376 V453 T455 V484 I496	D370-V494 WeakPolarHBondContact CA-O 3.26Å; L371-V494 PolarHBondContact N-O 2.71Å; L371-V494 PolarHBondContact O-N 3.03Å; V373-V494 HydrophobicContact CG2-CG2 3.98Å; L376-V494 HydrophobicContact CD1-CB 4.41Å; L376-V494 HydrophobicContact CD1-CG2 4.18Å; V453-V494 HydrophobicContact CB-CG1 4.26Å; V453-V494 HydrophobicContact CG1-CG1 4.28Å; V453-V494 HydrophobicContact CG2-CG1 4.5Å; T455-V494 HydrophobicContact CG2-CG1 3.59Å; V484-V494 HydrophobicContact CG1-CG2 4.41Å; V484-V494 HydrophobicContact CG2-CG1 4.43Å; V484-V494 HydrophobicContact CG2-CG2 3.87Å; V494-I496 HydrophobicContact CG1-CG1 4.47Å
495	P	95.5	Very high	92.1	Very high	80 Å²	80	49.6 Å²	49.6	52%	0.519	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.8	175.7	29.5	-33.3	0	0	0	110	D370 T455	D370-P495 WeakPolarHBondContact OD1-CA 3.34Å; D370-P495 WeakPolarHBondContact OD1-CB 3.41Å; T455-P495 WeakPolarHBondContact CB-O 3.47Å; T455-P495 WeakPolarHBondContact CG2-O 3.46Å
496	I	94.6	Very high	91.6	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.4	179.6	-53	-173.6	0	0	0	109.6	L347 S368 C369 L371 V453 T455 V494	L347-I496 HydrophobicContact CB-CD1 4.02Å; L347-I496 HydrophobicContact CB-CG2 4.19Å; L347-I496 HydrophobicContact CD1-CD1 3.61Å; L347-I496 HydrophobicContact CD1-CG2 4.18Å; L347-I496 HydrophobicContact CG-CD1 4.47Å; S368-I496 VanDerWaalsContact CA-O 3.24Å; S368-I496 WeakPolarHBondContact CA-O 3.27Å; C369-I496 PolarHBondContact N-O 2.78Å; C369-I496 PolarHBondContact O-N 3.04Å; L371-I496 HydrophobicContact CB-CD1 4.18Å; L371-I496 HydrophobicContact CD1-CD1 3.41Å; L371-I496 VanDerWaalsContact CD1-CD1 3.41Å; L371-I496 HydrophobicContact CG-CD1 3.75Å; L371-I496 HydrophobicContact CG-CG1 4.43Å; V453-I496 HydrophobicContact CG1-CD1 4.03Å; T455-I496 CarbonylContact O-C 3.57Å; T455-I496 WeakPolarHBondContact O-CA 3.31Å; V494-I496 HydrophobicContact CG1-CG1 4.47Å
497	T	95.3	Very high	91.3	Very high	45 Å²	45	49.9 Å²	49.9	28%	0.276	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.3	-178.7	59.1	0	0	0	0	110.9	E367 T455 S456 V457	E367-T497 WeakPolarHBondContact O-CA 3.45Å; T455-T497 PolarHBondContact O-N 3.03Å; T455-T497 PolarHBondContact O-OG1 3.17Å; S456-T497 WeakPolarHBondContact CA-O 3.22Å; S456-T497 WeakPolarHBondContact CA-OG1 3.35Å; V457-T497 PolarHBondContact N-O 3Å
498	F	94.5	Very high	91.1	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.022	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.8	171.4	-178	-87.5	0	0	0	109.5	L345 Q346 A358 Y365 Q366 E367 V457 I459 M500	L345-F498 HydrophobicContact CD2-CE2 3.76Å; L345-F498 HydrophobicContact CD2-CZ 4.39Å; L345-F498 HydrophobicContact CG-CE2 3.96Å; Q346-F498 HydrophobicContact CG-CB 4.31Å; Q346-F498 HydrophobicContact CG-CD1 3.68Å; Q346-F498 HydrophobicContact CG-CD2 3.9Å; Q346-F498 HydrophobicContact CG-CE1 3.91Å; Q346-F498 HydrophobicContact CG-CE2 4.14Å; Q346-F498 HydrophobicContact CG-CG 3.68Å; Q346-F498 HydrophobicContact CG-CZ 4.14Å; A358-F498 HydrophobicContact CB-CE1 3.88Å; Y365-F498 AromaticContact CD1-CD1 3.82Å; Y365-F498 HydrophobicContact CD1-CD1 3.82Å; Y365-F498 HydrophobicContact CD1-CE1 4.18Å; Y365-F498 AromaticContact CE1-CD1 3.76Å; Y365-F498 HydrophobicContact CE1-CD1 3.76Å; Y365-F498 HydrophobicContact CE1-CE1 4.34Å; Q366-F498 WeakPolarHBondContact CA-O 3.16Å; E367-F498 PolarHBondContact N-O 3.47Å; E367-F498 PolarHBondContact O-N 3.28Å; V457-F498 HydrophobicContact CB-CD2 3.87Å; V457-F498 HydrophobicContact CB-CE2 4.37Å; V457-F498 HydrophobicContact CG1-CD2 3.89Å; V457-F498 HydrophobicContact CG1-CE2 3.86Å; V457-F498 VanDerWaalsContact O-CA 3.32Å; V457-F498 WeakPolarHBondContact O-CA 3.28Å; I459-F498 HydrophobicContact CD1-CZ 4.5Å; F498-M500 HydrophobicContact CE1-CG 3.83Å; F498-M500 HydrophobicContact CE1-SD 3.88Å; F498-M500 HydrophobicContact CZ-CG 4.37Å; F498-M500 HydrophobicContact CZ-SD 3.81Å
499	A	94.6	Very high	91	Very high	14 Å²	14	47.6 Å²	47.6	12%	0.116	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.1	-176	0	0	0	0	0	114.4	Y365 V457 K458 I459	Y365-A499 CarbonylContact O-C 3.5Å; Y365-A499 WeakPolarHBondContact O-CA 3.42Å; V457-A499 PolarHBondContact O-N 3.08Å; K458-A499 CarbonylContact C-O 3.55Å; K458-A499 WeakPolarHBondContact CA-O 3.39Å; K458-A499 HydrophobicContact CB-CB 4.46Å; K458-A499 HydrophobicContact CG-CB 4.36Å; I459-A499 PolarHBondContact N-O 2.87Å
500	M	93.9	Very high	90.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.1	173.7	-56.4	-73.1	-73.6	0	0	109.1	I321 A358 Y365 I459 F461 F498 Y502	I321-M500 HydrophobicContact CD1-CE 4.04Å; A358-M500 HydrophobicContact CB-CG 3.89Å; A358-M500 VanDerWaalsContact O-CE 3.27Å; A358-M500 WeakPolarHBondContact O-CE 3.27Å; A358-M500 WeakPolarHBondContact O-CG 3.43Å; Y365-M500 PolarHBondContact N-O 3.42Å; Y365-M500 PolarHBondContact O-N 3.41Å; I459-M500 HydrophobicContact CB-CE 4.29Å; I459-M500 HydrophobicContact CB-SD 3.68Å; I459-M500 HydrophobicContact CD1-SD 4.02Å; I459-M500 HydrophobicContact CG1-SD 4.11Å; I459-M500 WeakPolarHBondContact O-CA 3.33Å; F461-M500 HydrophobicContact CE2-CE 3.62Å; F461-M500 HydrophobicContact CZ-CE 4.23Å; F498-M500 HydrophobicContact CE1-CG 3.83Å; F498-M500 HydrophobicContact CE1-SD 3.88Å; F498-M500 HydrophobicContact CZ-CG 4.37Å; F498-M500 HydrophobicContact CZ-SD 3.81Å; M500-Y502 HydrophobicContact CB-CE2 4.4Å
501	D	92.2	Very high	91	Very high	30 Å²	30	48.2 Å²	48.2	16%	0.16	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.8	-176.5	-82.3	-23.7	0	0	0	112.3	K458 I459 R460 F461	K458-D501 WeakPolarHBondContact CE-OD2 3.49Å; K458-D501 IonicContact NZ-OD2 2.97Å; K458-D501 PolarHBondContact NZ-OD2 3.32Å; I459-D501 PolarHBondContact O-N 3.17Å; R460-D501 CarbonylContact C-O 3.57Å; R460-D501 WeakPolarHBondContact CA-O 3.2Å; F461-D501 PolarHBondContact N-O 3.47Å
502	Y	92	Very high	91	Very high	13 Å²	13	49.7 Å²	49.7	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.2	179.7	-55.1	-88.9	0	0	0	108.2	I321 S360 F361 T363 F461 M500	I321-Y502 HydrophobicContact CD1-CE1 4.38Å; I321-Y502 WeakPolarHBondContact CD1-OH 3.48Å; S360-Y502 PolarHBondContact O-OH 3.2Å; F361-Y502 WeakPolarHBondContact CA-OH 3.22Å; F361-Y502 HydrophobicContact CB-CE1 4.45Å; F361-Y502 HydrophobicContact CD2-CD1 4.02Å; F361-Y502 AromaticContact CD2-CE1 3.46Å; F361-Y502 HydrophobicContact CD2-CE1 3.46Å; F361-Y502 VanDerWaalsContact CD2-CE1 3.46Å; F361-Y502 HydrophobicContact CE1-CD1 4.48Å; F361-Y502 AromaticContact CE2-CD1 3.75Å; F361-Y502 HydrophobicContact CE2-CD1 3.75Å; F361-Y502 AromaticContact CE2-CE1 3.68Å; F361-Y502 HydrophobicContact CE2-CE1 3.68Å; F361-Y502 HydrophobicContact CG-CD1 4.49Å; F361-Y502 AromaticContact CG-CE1 3.93Å; F361-Y502 HydrophobicContact CG-CE1 3.93Å; F361-Y502 HydrophobicContact CZ-CD1 4Å; F361-Y502 HydrophobicContact CZ-CE1 4.3Å; T363-Y502 VanDerWaalsContact O-CE2 3.25Å; T363-Y502 WeakPolarHBondContact O-CE2 3.46Å; F461-Y502 HydrophobicContact CB-CD1 3.68Å; F461-Y502 HydrophobicContact CB-CE1 4.03Å; F461-Y502 HydrophobicContact CD2-CD1 4.13Å; F461-Y502 AromaticContact CD2-CE1 3.68Å; F461-Y502 HydrophobicContact CD2-CE1 3.68Å; F461-Y502 HydrophobicContact CE2-CE1 4.39Å; F461-Y502 HydrophobicContact CG-CD1 4.07Å; F461-Y502 AromaticContact CG-CE1 3.89Å; F461-Y502 HydrophobicContact CG-CE1 3.89Å; F461-Y502 WeakPolarHBondContact O-CA 3.47Å; M500-Y502 HydrophobicContact CB-CE2 4.4Å
503	E	90.7	Very high	90.8	Very high	33 Å²	33	49.3 Å²	49.3	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.7	-178.3	71	-179.9	-165.7	0	0	112	R460 F461 Q462 L463 L588 L591	R460-E503 VanDerWaalsContact CD-CD 3.47Å; R460-E503 WeakPolarHBondContact CD-OE1 3.42Å; R460-E503 WeakPolarHBondContact CD-OE2 3.31Å; R460-E503 HydrophobicContact CG-CG 4.25Å; R460-E503 IonicContact CZ-OE2 3.84Å; R460-E503 IonicContact NE-OE2 3.23Å; R460-E503 IonicContact NH1-OE1 3.64Å; R460-E503 PolarHBondContact NH1-OE1 2.93Å; R460-E503 IonicContact NH1-OE2 3.85Å; R460-E503 PolarHBondContact NH1-OE2 3.33Å; F461-E503 PolarHBondContact O-N 3.47Å; Q462-E503 WeakPolarHBondContact CA-O 3.34Å; Q462-E503 HydrophobicContact CB-CG 4.08Å; Q462-E503 HydrophobicContact CG-CG 4.11Å; L463-E503 PolarHBondContact N-O 3.43Å; E503-L588 WeakPolarHBondContact O-CD1 3.37Å; E503-L591 HydrophobicContact CB-CD1 4.34Å
504	M	89.3	Confident	90.6	Very high	40 Å²	40	48.3 Å²	48.3	20%	0.197	26%	0.256	C	S	.	.			trans	-138.8	159.5	168.6	68.5	173.6	-71.6	0	0	109.1	L463 Q506 W575 V587 L588	L463-M504 HydrophobicContact CB-CB 4.14Å; M504-Q506 PolarHBondContact O-N 3.26Å; M504-W575 HydrophobicContact SD-CH2 3.83Å; M504-W575 HydrophobicContact SD-CZ3 4.45Å; M504-V587 HydrophobicContact CE-CG1 4Å; M504-V587 HydrophobicContact SD-CB 4.33Å; M504-V587 HydrophobicContact SD-CG1 3.56Å; M504-V587 VanDerWaalsContact SD-CG1 3.56Å; M504-L588 HydrophobicContact CB-CB 4.26Å; M504-L588 HydrophobicContact CB-CD1 4.5Å; M504-L588 HydrophobicContact CG-CB 4.09Å; M504-L588 HydrophobicContact SD-CB 4.21Å; M504-L588 PolarHBondContact SD-N 2.94Å
505	D	86.4	Confident	90.6	Very high	75 Å²	75	51.8 Å²	51.8	40%	0.401	28%	0.277	S	S	.	.			trans	-65	119.8	172.9	-175.6	9.6	0	0	0	110.7	T507	D505-T507 WeakPolarHBondContact OD1-CB 3.44Å; D505-T507 WeakPolarHBondContact OD1-CG2 3.39Å; D505-T507 PolarHBondContact OD1-N 3.49Å; D505-T507 PolarHBondContact OD1-OG1 2.92Å; D505-T507 PolarHBondContact OD2-OG1 3.27Å
506	Q	85.1	Confident	90.6	Very high	24 Å²	24	49.7 Å²	49.7	11%	0.112	27%	0.266	C	S	.	.			trans	-97.2	2	-179	-62.2	-62.7	-21.8	0	0	112.9	M504 E508 A509 R510 L588	M504-Q506 PolarHBondContact O-N 3.26Å; Q506-E508 PolarHBondContact O-N 3.22Å; Q506-A509 PolarHBondContact O-N 2.96Å; Q506-R510 WeakPolarHBondContact O-CB 3.35Å; Q506-R510 PolarHBondContact O-N 2.91Å; Q506-L588 PolarHBondContact NE2-O 3.45Å
507	T	86.9	Confident	90.6	Very high	83 Å²	83	50.6 Å²	50.6	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-56.4	-49.2	-177.2	54.3	0	0	0	0	112	D505 A509 R510 T511	D505-T507 WeakPolarHBondContact OD1-CB 3.44Å; D505-T507 WeakPolarHBondContact OD1-CG2 3.39Å; D505-T507 PolarHBondContact OD1-N 3.49Å; D505-T507 PolarHBondContact OD1-OG1 2.92Å; D505-T507 PolarHBondContact OD2-OG1 3.27Å; T507-A509 PolarHBondContact O-N 3.44Å; T507-R510 PolarHBondContact O-N 2.86Å; T507-T511 PolarHBondContact O-N 3.34Å; T507-T511 PolarHBondContact O-OG1 3.05Å
508	E	85.9	Confident	90.5	Very high	99 Å²	99	50.9 Å²	50.9	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-179.9	-173.6	-179.3	158.9	0	0	112.1	Q506 R510 T511 K512	Q506-E508 PolarHBondContact O-N 3.22Å; E508-R510 VanDerWaalsContact C-N 3.35Å; E508-R510 PolarHBondContact O-N 3.13Å; E508-T511 PolarHBondContact O-N 2.97Å; E508-K512 HydrophobicContact CG-CD 4.43Å; E508-K512 WeakPolarHBondContact O-CG 3.12Å; E508-K512 PolarHBondContact O-N 3.17Å; E508-K512 WeakPolarHBondContact OE1-CE 3.46Å; E508-K512 IonicContact OE1-NZ 3.96Å; E508-K512 PolarHBondContact OE1-NZ 3.39Å
509	A	85.7	Confident	90.6	Very high	32 Å²	32	55.9 Å²	55.9	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-45.4	177.8	0	0	0	0	0	110.9	Q506 T507 K512 T513	Q506-A509 PolarHBondContact O-N 2.96Å; T507-A509 PolarHBondContact O-N 3.44Å; A509-K512 PolarHBondContact O-N 2.88Å; A509-T513 PolarHBondContact O-N 2.89Å; A509-T513 PolarHBondContact O-OG1 3.35Å
510	R	86.6	Confident	90.7	Very high	126 Å²	126	58.1 Å²	58.1	48%	0.475	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-46.9	177.2	-175.5	174.9	178.8	179.3	3.1	112	Q506 T507 E508 K512 T513 D514	Q506-R510 WeakPolarHBondContact O-CB 3.35Å; Q506-R510 PolarHBondContact O-N 2.91Å; T507-R510 PolarHBondContact O-N 2.86Å; E508-R510 VanDerWaalsContact C-N 3.35Å; E508-R510 PolarHBondContact O-N 3.13Å; R510-K512 VanDerWaalsContact C-N 3.28Å; R510-K512 PolarHBondContact O-N 2.78Å; R510-T513 PolarHBondContact O-N 3.15Å; R510-D514 IonicContact NE-OD2 3.34Å; R510-D514 WeakPolarHBondContact O-CB 3.47Å; R510-D514 PolarHBondContact O-N 2.91Å
511	T	90.1	Very high	90.8	Very high	87 Å²	87	58.5 Å²	58.5	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-38.7	177.3	-55	0	0	0	0	111.7	T507 E508 T515	T507-T511 PolarHBondContact O-N 3.34Å; T507-T511 PolarHBondContact O-OG1 3.05Å; E508-T511 PolarHBondContact O-N 2.97Å; T511-T515 VanDerWaalsContact O-CB 3.28Å; T511-T515 WeakPolarHBondContact O-CB 3.41Å; T511-T515 PolarHBondContact O-N 3.4Å; T511-T515 PolarHBondContact O-OG1 3.08Å
512	K	90.3	Very high	90.9	Very high	127 Å²	127	58.9 Å²	58.9	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-45	175.1	-73.5	174.4	-176	170.1	0	112	E508 A509 R510 T515 A516	E508-K512 HydrophobicContact CG-CD 4.43Å; E508-K512 WeakPolarHBondContact O-CG 3.12Å; E508-K512 PolarHBondContact O-N 3.17Å; E508-K512 WeakPolarHBondContact OE1-CE 3.46Å; E508-K512 IonicContact OE1-NZ 3.96Å; E508-K512 PolarHBondContact OE1-NZ 3.39Å; A509-K512 PolarHBondContact O-N 2.88Å; R510-K512 VanDerWaalsContact C-N 3.28Å; R510-K512 PolarHBondContact O-N 2.78Å; K512-T515 PolarHBondContact O-N 3.31Å; K512-A516 WeakPolarHBondContact O-CB 3.45Å; K512-A516 PolarHBondContact O-N 3Å
513	T	90.1	Very high	91.1	Very high	29 Å²	29	63 Å²	63	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-46.4	176.8	-59.7	0	0	0	0	111.7	A509 R510 T515 A516 L517 V567	A509-T513 PolarHBondContact O-N 2.89Å; A509-T513 PolarHBondContact O-OG1 3.35Å; R510-T513 PolarHBondContact O-N 3.15Å; T513-T515 VanDerWaalsContact C-N 3.33Å; T513-T515 PolarHBondContact O-N 3.23Å; T513-A516 PolarHBondContact O-N 3.03Å; T513-L517 HydrophobicContact CG2-CD1 4.35Å; T513-L517 WeakPolarHBondContact O-CG 3.43Å; T513-L517 PolarHBondContact O-N 2.89Å; T513-V567 HydrophobicContact CG2-CG1 3.82Å
514	D	90.3	Very high	91.4	Very high	65 Å²	65	61.7 Å²	61.7	35%	0.348	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-40.7	178.4	-71.7	-21.4	0	0	0	111.5	R510 L517 G518 Y601	R510-D514 IonicContact NE-OD2 3.34Å; R510-D514 WeakPolarHBondContact O-CB 3.47Å; R510-D514 PolarHBondContact O-N 2.91Å; D514-L517 PolarHBondContact O-N 3.3Å; D514-G518 PolarHBondContact O-N 3.33Å; D514-Y601 PolarHBondContact OD1-OH 2.92Å
515	T	93.4	Very high	91.7	Very high	75 Å²	75	62 Å²	62	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-43.9	175.7	-58	0	0	0	0	111.3	T511 K512 T513 G518 I519	T511-T515 VanDerWaalsContact O-CB 3.28Å; T511-T515 WeakPolarHBondContact O-CB 3.41Å; T511-T515 PolarHBondContact O-N 3.4Å; T511-T515 PolarHBondContact O-OG1 3.08Å; K512-T515 PolarHBondContact O-N 3.31Å; T513-T515 VanDerWaalsContact C-N 3.33Å; T513-T515 PolarHBondContact O-N 3.23Å; T515-G518 PolarHBondContact O-N 2.99Å; T515-I519 HydrophobicContact CG2-CD1 3.81Å; T515-I519 HydrophobicContact CG2-CG1 4.44Å; T515-I519 WeakPolarHBondContact O-CG1 3.16Å; T515-I519 PolarHBondContact O-N 3.48Å
516	A	94.4	Very high	92.1	Very high	35 Å²	35	63.5 Å²	63.5	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-43.1	177.3	0	0	0	0	0	111.8	K512 T513 L520 V567	K512-A516 WeakPolarHBondContact O-CB 3.45Å; K512-A516 PolarHBondContact O-N 3Å; T513-A516 PolarHBondContact O-N 3.03Å; A516-L520 VanDerWaalsContact O-CB 3.28Å; A516-L520 WeakPolarHBondContact O-CB 3.35Å; A516-L520 WeakPolarHBondContact O-CG 3.5Å; A516-L520 PolarHBondContact O-N 3.44Å; A516-V567 HydrophobicContact CB-CG2 4.25Å
517	L	94.1	Very high	92.5	Very high	25 Å²	25	67.2 Å²	67.2	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-42.5	174.6	-71.6	173.1	0	0	0	111.9	T513 D514 G521 V563 F564 V567 Y601	T513-L517 HydrophobicContact CG2-CD1 4.35Å; T513-L517 WeakPolarHBondContact O-CG 3.43Å; T513-L517 PolarHBondContact O-N 2.89Å; D514-L517 PolarHBondContact O-N 3.3Å; L517-G521 WeakPolarHBondContact O-CA 3.43Å; L517-G521 PolarHBondContact O-N 3.31Å; L517-V563 HydrophobicContact CD2-CG1 4.26Å; L517-F564 HydrophobicContact CD1-CE1 4.28Å; L517-F564 HydrophobicContact CD2-CD1 3.56Å; L517-F564 HydrophobicContact CD2-CE1 3.78Å; L517-V567 HydrophobicContact CD2-CB 3.94Å; L517-V567 HydrophobicContact CD2-CG1 3.98Å; L517-V567 HydrophobicContact CD2-CG2 3.95Å; L517-V567 HydrophobicContact CG-CG1 4.08Å; L517-V567 HydrophobicContact CG-CG2 4.49Å; L517-Y601 HydrophobicContact CD1-CD1 4.34Å; L517-Y601 HydrophobicContact CD1-CE1 4.02Å; L517-Y601 HydrophobicContact CD1-CE2 4.21Å
518	G	94.2	Very high	93	Very high	52 Å²	52	63.2 Å²	63.2	54%	0.536	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-49.4	178.1	0	0	0	0	0	113	D514 T515 G522	D514-G518 PolarHBondContact O-N 3.33Å; T515-G518 PolarHBondContact O-N 2.99Å; G518-G522 PolarHBondContact O-N 2.93Å
519	I	96.3	Very high	93.3	Very high	109 Å²	109	62.4 Å²	62.4	56%	0.559	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-51.8	-178.7	-65.4	171.2	0	0	0	110.9	T515 G521 G522 L523	T515-I519 HydrophobicContact CG2-CD1 3.81Å; T515-I519 HydrophobicContact CG2-CG1 4.44Å; T515-I519 WeakPolarHBondContact O-CG1 3.16Å; T515-I519 PolarHBondContact O-N 3.48Å; I519-G521 VanDerWaalsContact C-N 3.33Å; I519-G521 PolarHBondContact O-N 2.89Å; I519-G522 PolarHBondContact O-N 3.38Å; I519-L523 PolarHBondContact O-N 3.22Å; I519-L523 VanDerWaalsContact O-N 3.08Å
520	L	96.4	Very high	93.6	Very high	61 Å²	61	65.4 Å²	65.4	32%	0.319	36%	0.361	S	S	.	.	H	α-helix	trans	-68.7	-33.8	-178.4	-66.8	177.2	0	0	0	111.8	A516 L523 A524 V563 V567	A516-L520 VanDerWaalsContact O-CB 3.28Å; A516-L520 WeakPolarHBondContact O-CB 3.35Å; A516-L520 WeakPolarHBondContact O-CG 3.5Å; A516-L520 PolarHBondContact O-N 3.44Å; L520-L523 HydrophobicContact CD2-CD1 4.3Å; L520-L523 PolarHBondContact O-N 3.46Å; L520-A524 WeakPolarHBondContact O-CB 3.41Å; L520-A524 PolarHBondContact O-N 2.92Å; L520-V563 HydrophobicContact CB-CB 4.36Å; L520-V563 HydrophobicContact CB-CG1 3.53Å; L520-V563 HydrophobicContact CB-CG2 3.94Å; L520-V563 HydrophobicContact CD1-CG1 4.47Å; L520-V563 WeakPolarHBondContact O-CG2 3.28Å; L520-V567 HydrophobicContact CD1-CG2 3.82Å
521	G	95.7	Very high	93.9	Very high	9 Å²	9	61.4 Å²	61.4	9%	0.093	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-43.9	172.2	0	0	0	0	0	112.1	L517 I519 L523 A524 V525	L517-G521 WeakPolarHBondContact O-CA 3.43Å; L517-G521 PolarHBondContact O-N 3.31Å; I519-G521 VanDerWaalsContact C-N 3.33Å; I519-G521 PolarHBondContact O-N 2.89Å; G521-L523 PolarHBondContact O-N 2.88Å; G521-A524 WeakPolarHBondContact O-CB 3.34Å; G521-A524 PolarHBondContact O-N 3.44Å; G521-A524 VanDerWaalsContact O-N 3.17Å; G521-V525 PolarHBondContact O-N 2.99Å
522	G	95.8	Very high	94	Very high	37 Å²	37	57.9 Å²	57.9	38%	0.381	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-43.5	173.1	0	0	0	0	0	112.9	G518 I519 A524 V525 L526	G518-G522 PolarHBondContact O-N 2.93Å; I519-G522 PolarHBondContact O-N 3.38Å; G522-A524 VanDerWaalsContact C-N 3.33Å; G522-A524 PolarHBondContact O-N 3.41Å; G522-V525 PolarHBondContact O-N 3.43Å; G522-L526 PolarHBondContact O-N 3.22Å
523	L	95.9	Very high	94	Very high	101 Å²	101	55.1 Å²	55.1	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-36.7	174.1	-68.6	174.7	0	0	0	112.4	I519 L520 G521 V525 L526 Y527	I519-L523 PolarHBondContact O-N 3.22Å; I519-L523 VanDerWaalsContact O-N 3.08Å; L520-L523 HydrophobicContact CD2-CD1 4.3Å; L520-L523 PolarHBondContact O-N 3.46Å; G521-L523 PolarHBondContact O-N 2.88Å; L523-V525 VanDerWaalsContact C-N 3.34Å; L523-V525 PolarHBondContact O-N 3.18Å; L523-L526 PolarHBondContact O-N 3.38Å; L523-Y527 WeakPolarHBondContact O-CB 3.44Å; L523-Y527 PolarHBondContact O-N 3.4Å
524	A	96.2	Very high	94	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-37.5	176.1	0	0	0	0	0	112.2	L520 G521 G522 S528 Y556 D559 V563	L520-A524 WeakPolarHBondContact O-CB 3.41Å; L520-A524 PolarHBondContact O-N 2.92Å; G521-A524 WeakPolarHBondContact O-CB 3.34Å; G521-A524 PolarHBondContact O-N 3.44Å; G521-A524 VanDerWaalsContact O-N 3.17Å; G522-A524 VanDerWaalsContact C-N 3.33Å; G522-A524 PolarHBondContact O-N 3.41Å; A524-S528 VanDerWaalsContact O-CB 3.26Å; A524-S528 WeakPolarHBondContact O-CB 3.48Å; A524-S528 PolarHBondContact O-N 2.82Å; A524-S528 PolarHBondContact O-OG 3.32Å; A524-Y556 HydrophobicContact CB-CE2 4.37Å; A524-D559 HydrophobicContact CB-CB 4Å; A524-V563 HydrophobicContact CB-CG2 3.83Å
525	V	96.6	Very high	94	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.285	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-51.5	173	174.1	0	0	0	0	110.5	G521 G522 L523 Y527 S528 L529 F552 Y556	G521-V525 PolarHBondContact O-N 2.99Å; G522-V525 PolarHBondContact O-N 3.43Å; L523-V525 VanDerWaalsContact C-N 3.34Å; L523-V525 PolarHBondContact O-N 3.18Å; V525-Y527 VanDerWaalsContact C-N 3.35Å; V525-Y527 PolarHBondContact O-N 2.91Å; V525-S528 PolarHBondContact O-N 3Å; V525-L529 HydrophobicContact CG1-CD1 4.19Å; V525-L529 WeakPolarHBondContact O-CG 3.29Å; V525-L529 PolarHBondContact O-N 3.34Å; V525-F552 HydrophobicContact CG1-CZ 4.34Å; V525-Y556 HydrophobicContact CB-CE2 4.29Å; V525-Y556 HydrophobicContact CG2-CD2 4.07Å; V525-Y556 HydrophobicContact CG2-CE2 3.35Å
526	L	94.6	Very high	93.9	Very high	105 Å²	105	48.9 Å²	48.9	55%	0.55	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-45	179.9	-67	175	0	0	0	111.7	G522 L523 S528 L529 L530	G522-L526 PolarHBondContact O-N 3.22Å; L523-L526 PolarHBondContact O-N 3.38Å; L526-S528 VanDerWaalsContact C-N 3.33Å; L526-S528 PolarHBondContact O-N 2.91Å; L526-L529 WeakPolarHBondContact O-CB 3.1Å; L526-L529 PolarHBondContact O-N 2.95Å; L526-L530 WeakPolarHBondContact O-CG 3.36Å; L526-L530 PolarHBondContact O-N 3.41Å
527	Y	94.1	Very high	93.5	Very high	102 Å²	102	51.6 Å²	51.6	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-38	178.3	-174.3	-127.3	0	0	0	112.4	L523 V525 L530 K531 D559 M898	L523-Y527 WeakPolarHBondContact O-CB 3.44Å; L523-Y527 PolarHBondContact O-N 3.4Å; V525-Y527 VanDerWaalsContact C-N 3.35Å; V525-Y527 PolarHBondContact O-N 2.91Å; Y527-L530 PolarHBondContact O-N 3.49Å; Y527-K531 HydrophobicContact CE1-CD 4.32Å; Y527-K531 PolarHBondContact O-N 3.04Å; Y527-K531 WeakPolarHBondContact OH-CE 3.38Å; Y527-D559 VanDerWaalsContact CD1-OD2 3.26Å; Y527-D559 WeakPolarHBondContact CD1-OD2 3.3Å; Y527-M898 HydrophobicContact CD2-CE 4.47Å; Y527-M898 HydrophobicContact CE2-CE 4Å
528	S	95.5	Very high	93.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-36.8	175.7	-60.3	0	0	0	0	112.4	A524 V525 L526 K531 T532 Y556 D559	A524-S528 VanDerWaalsContact O-CB 3.26Å; A524-S528 WeakPolarHBondContact O-CB 3.48Å; A524-S528 PolarHBondContact O-N 2.82Å; A524-S528 PolarHBondContact O-OG 3.32Å; V525-S528 PolarHBondContact O-N 3Å; L526-S528 VanDerWaalsContact C-N 3.33Å; L526-S528 PolarHBondContact O-N 2.91Å; S528-K531 PolarHBondContact O-N 2.92Å; S528-T532 PolarHBondContact O-N 2.68Å; S528-T532 PolarHBondContact O-OG1 3.04Å; S528-Y556 VanDerWaalsContact OG-CA 3.22Å; S528-Y556 WeakPolarHBondContact OG-CA 3.21Å; S528-D559 PolarHBondContact OG-OD2 3.42Å; S528-D559 VanDerWaalsContact OG-OD2 3.09Å
529	L	93.9	Very high	93	Very high	81 Å²	81	51.8 Å²	51.8	42%	0.424	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-46.4	172.7	-73.4	170.3	0	0	0	110.8	V525 L526 K531 T532 V533 F552	V525-L529 HydrophobicContact CG1-CD1 4.19Å; V525-L529 WeakPolarHBondContact O-CG 3.29Å; V525-L529 PolarHBondContact O-N 3.34Å; L526-L529 WeakPolarHBondContact O-CB 3.1Å; L526-L529 PolarHBondContact O-N 2.95Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 2.96Å; L529-T532 PolarHBondContact O-N 3Å; L529-T532 VanDerWaalsContact O-N 3.13Å; L529-V533 WeakPolarHBondContact O-CG2 3.4Å; L529-V533 PolarHBondContact O-N 3.5Å; L529-F552 HydrophobicContact CD2-CD2 3.86Å; L529-F552 HydrophobicContact CD2-CE2 3.59Å; L529-F552 HydrophobicContact CD2-CZ 4.2Å; L529-F552 HydrophobicContact CG-CD2 4.31Å; L529-F552 HydrophobicContact CG-CE2 3.7Å; L529-F552 HydrophobicContact CG-CZ 4.39Å
530	L	91.8	Very high	92.4	Very high	95 Å²	95	47.3 Å²	47.3	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-59.2	-42.4	176.5	-67.9	174.2	0	0	0	111.8	L526 Y527 T532 V533 S534 M898	L526-L530 WeakPolarHBondContact O-CG 3.36Å; L526-L530 PolarHBondContact O-N 3.41Å; Y527-L530 PolarHBondContact O-N 3.49Å; L530-T532 PolarHBondContact O-N 3.39Å; L530-V533 PolarHBondContact O-N 2.92Å; L530-S534 WeakPolarHBondContact O-CB 3.46Å; L530-S534 PolarHBondContact O-N 2.86Å; L530-M898 HydrophobicContact CB-CE 3.99Å; L530-M898 HydrophobicContact CB-SD 3.81Å
531	K	92.1	Very high	91.7	Very high	43 Å²	43	46.2 Å²	46.2	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-42.9	173.6	-76.1	178.2	-178.2	166.6	0	112.6	Y527 S528 L529 S534 W535 F555 D559 M898	Y527-K531 HydrophobicContact CE1-CD 4.32Å; Y527-K531 PolarHBondContact O-N 3.04Å; Y527-K531 WeakPolarHBondContact OH-CE 3.38Å; S528-K531 PolarHBondContact O-N 2.92Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 2.96Å; K531-S534 PolarHBondContact O-N 3.32Å; K531-W535 WeakPolarHBondContact O-CB 3.4Å; K531-W535 PolarHBondContact O-N 2.94Å; K531-F555 HydrophobicContact CB-CD2 3.84Å; K531-F555 HydrophobicContact CB-CE2 4.23Å; K531-F555 HydrophobicContact CB-CG 4.22Å; K531-F555 HydrophobicContact CD-CB 4.43Å; K531-F555 HydrophobicContact CD-CG 4.46Å; K531-D559 IonicContact NZ-OD1 3.47Å; K531-D559 PolarHBondContact NZ-OD1 3.05Å; K531-D559 IonicContact NZ-OD2 2.8Å; K531-D559 PolarHBondContact NZ-OD2 3.2Å; K531-M898 HydrophobicContact CB-CE 4.17Å; K531-M898 HydrophobicContact CG-CE 3.43Å; K531-M898 VanDerWaalsContact CG-CE 3.43Å
532	T	92.9	Very high	90.8	Very high	12 Å²	12	52 Å²	52	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-42.2	178.4	-57.9	0	0	0	0	111.4	S528 L529 L530 W535 K536 T548 F552	S528-T532 PolarHBondContact O-N 2.68Å; S528-T532 PolarHBondContact O-OG1 3.04Å; L529-T532 PolarHBondContact O-N 3Å; L529-T532 VanDerWaalsContact O-N 3.13Å; L530-T532 PolarHBondContact O-N 3.39Å; T532-W535 PolarHBondContact O-N 2.88Å; T532-K536 PolarHBondContact O-N 2.85Å; T532-T548 HydrophobicContact CG2-CG2 3.72Å; T532-F552 HydrophobicContact CG2-CB 4.13Å; T532-F552 WeakPolarHBondContact OG1-CA 3.36Å
533	V	89.9	Confident	90.3	Very high	70 Å²	70	55.6 Å²	55.6	42%	0.424	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-47.3	175.3	171.7	0	0	0	0	110.5	L529 L530 W535 K536 R537	L529-V533 WeakPolarHBondContact O-CG2 3.4Å; L529-V533 PolarHBondContact O-N 3.5Å; L530-V533 PolarHBondContact O-N 2.92Å; V533-W535 VanDerWaalsContact C-N 3.35Å; V533-W535 PolarHBondContact O-N 3.4Å; V533-K536 PolarHBondContact O-N 2.97Å; V533-R537 WeakPolarHBondContact O-CG 3.49Å; V533-R537 PolarHBondContact O-N 3.37Å
534	S	89.4	Confident	89.8	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-42.8	175.5	174.3	0	0	0	0	112	L530 K531 K536 R537 R538	L530-S534 WeakPolarHBondContact O-CB 3.46Å; L530-S534 PolarHBondContact O-N 2.86Å; K531-S534 PolarHBondContact O-N 3.32Å; S534-K536 PolarHBondContact O-N 2.9Å; S534-R537 PolarHBondContact O-N 3.47Å; S534-R538 VanDerWaalsContact O-CG 3.28Å; S534-R538 WeakPolarHBondContact O-CG 3.37Å; S534-R538 PolarHBondContact O-N 2.72Å
535	W	91.3	Very high	89.5	Confident	11 Å²	11	59.5 Å²	59.5	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-40.6	176.3	172.1	75.7	0	0	0	112.6	K531 T532 V533 R538 I539 E547 K551 F555	K531-W535 WeakPolarHBondContact O-CB 3.4Å; K531-W535 PolarHBondContact O-N 2.94Å; T532-W535 PolarHBondContact O-N 2.88Å; V533-W535 VanDerWaalsContact C-N 3.35Å; V533-W535 PolarHBondContact O-N 3.4Å; W535-R538 WeakPolarHBondContact O-CB 3.33Å; W535-R538 PolarHBondContact O-N 3.12Å; W535-R538 VanDerWaalsContact O-N 3.14Å; W535-I539 HydrophobicContact CD2-CD1 4Å; W535-I539 HydrophobicContact CH2-CD1 3.77Å; W535-I539 HydrophobicContact CZ2-CD1 3.11Å; W535-I539 HydrophobicContact CZ2-CG1 4.47Å; W535-I539 HydrophobicContact CZ3-CD1 4.42Å; W535-I539 PolarHBondContact O-N 2.9Å; W535-I539 VanDerWaalsContact O-N 3.15Å; W535-E547 HydrophobicContact CH2-CG 4.21Å; W535-K551 HydrophobicContact CD2-CD 4.26Å; W535-K551 HydrophobicContact CD2-CG 3.69Å; W535-K551 HydrophobicContact CE3-CB 4.04Å; W535-K551 HydrophobicContact CE3-CG 3.69Å; W535-K551 HydrophobicContact CG-CG 4.32Å; W535-K551 HydrophobicContact CH2-CB 3.87Å; W535-K551 HydrophobicContact CH2-CD 4.28Å; W535-K551 HydrophobicContact CH2-CG 3.93Å; W535-K551 HydrophobicContact CZ2-CB 4.34Å; W535-K551 HydrophobicContact CZ2-CD 3.89Å; W535-K551 HydrophobicContact CZ2-CG 3.93Å; W535-K551 HydrophobicContact CZ3-CB 3.7Å; W535-K551 HydrophobicContact CZ3-CG 3.8Å; W535-F555 HydrophobicContact CB-CE2 3.91Å; W535-F555 HydrophobicContact CB-CZ 4.25Å; W535-F555 HydrophobicContact CG-CE2 4.23Å; W535-F555 HydrophobicContact CG-CZ 4.34Å
536	K	89.9	Confident	89.2	Confident	24 Å²	24	64.4 Å²	64.4	10%	0.104	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-41.6	175.8	-88.1	-65.1	-173.4	174.5	0	112.6	T532 V533 S534 R538 I539 A540 I543 D545 T548	T532-K536 PolarHBondContact O-N 2.85Å; V533-K536 PolarHBondContact O-N 2.97Å; S534-K536 PolarHBondContact O-N 2.9Å; K536-R538 VanDerWaalsContact C-N 3.26Å; K536-R538 PolarHBondContact O-N 2.96Å; K536-I539 PolarHBondContact O-N 2.87Å; K536-I539 VanDerWaalsContact O-N 3.1Å; K536-A540 PolarHBondContact O-N 2.93Å; K536-A540 VanDerWaalsContact O-N 3.11Å; K536-I543 PolarHBondContact NZ-O 2.95Å; K536-D545 IonicContact NZ-OD1 3.14Å; K536-D545 PolarHBondContact NZ-OD1 2.87Å; K536-D545 IonicContact NZ-OD2 3.87Å; K536-D545 PolarHBondContact NZ-OD2 2.92Å; K536-T548 HydrophobicContact CD-CG2 4.44Å; K536-T548 VanDerWaalsContact CE-CG2 3.5Å; K536-T548 WeakPolarHBondContact CE-OG1 3.49Å; K536-T548 HydrophobicContact CG-CG2 4.04Å; K536-T548 PolarHBondContact NZ-OG1 3.46Å
537	R	86.8	Confident	89	Confident	92 Å²	92	64.9 Å²	64.9	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-57.1	-40.7	171.2	-69.9	175.3	-177.6	168.7	-0.3	111.8	V533 S534 I539 A540 E899 F900	V533-R537 WeakPolarHBondContact O-CG 3.49Å; V533-R537 PolarHBondContact O-N 3.37Å; S534-R537 PolarHBondContact O-N 3.47Å; R537-I539 VanDerWaalsContact C-N 3.26Å; R537-I539 PolarHBondContact O-N 3.28Å; R537-A540 PolarHBondContact O-N 3.46Å; R537-A540 VanDerWaalsContact O-N 3.09Å; R537-E899 PolarHBondContact NH1-O 3.22Å; R537-F900 PolarHBondContact NH1-O 3.46Å
538	R	88.9	Confident	89	Confident	50 Å²	50	60.3 Å²	60.3	19%	0.189	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-16.5	178.5	-70.4	172.9	-179.4	171.1	-3.9	114.6	S534 W535 K536 N771 C773 F774 G897 E899	S534-R538 VanDerWaalsContact O-CG 3.28Å; S534-R538 WeakPolarHBondContact O-CG 3.37Å; S534-R538 PolarHBondContact O-N 2.72Å; W535-R538 WeakPolarHBondContact O-CB 3.33Å; W535-R538 PolarHBondContact O-N 3.12Å; W535-R538 VanDerWaalsContact O-N 3.14Å; K536-R538 VanDerWaalsContact C-N 3.26Å; K536-R538 PolarHBondContact O-N 2.96Å; R538-N771 HydrophobicContact CB-CB 4.1Å; R538-C773 CarbonylContact O-C 3.42Å; R538-C773 WeakPolarHBondContact O-CA 3.32Å; R538-C773 WeakPolarHBondContact O-CB 3.21Å; R538-C773 PolarHBondContact O-N 3.21Å; R538-F774 HydrophobicContact CB-CB 3.62Å; R538-F774 HydrophobicContact CB-CG 4.23Å; R538-F774 HydrophobicContact CG-CB 3.6Å; R538-F774 HydrophobicContact CG-CD1 4.16Å; R538-F774 HydrophobicContact CG-CD2 4.07Å; R538-F774 HydrophobicContact CG-CG 3.67Å; R538-G897 PolarHBondContact NH2-O 2.03Å; R538-E899 IonicContact CZ-OE1 3.73Å; R538-E899 IonicContact CZ-OE2 2.69Å; R538-E899 VanDerWaalsContact CZ-OE2 3.29Å; R538-E899 IonicContact NE-OE1 2.62Å; R538-E899 IonicContact NE-OE2 3.15Å; R538-E899 PolarHBondContact NE-OE2 3.2Å; R538-E899 VanDerWaalsContact NH2-CD 3.33Å; R538-E899 IonicContact NH2-OE1 3.69Å; R538-E899 PolarHBondContact NH2-OE1 3.11Å; R538-E899 IonicContact NH2-OE2 2.77Å; R538-E899 PolarHBondContact NH2-OE2 3.4Å
539	I	88.7	Confident	88.8	Confident	30 Å²	30	64.8 Å²	64.8	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-93.2	-16.9	171.5	-69.1	-179	0	0	0	111.7	W535 K536 R537 S541 R772	W535-I539 HydrophobicContact CD2-CD1 4Å; W535-I539 HydrophobicContact CH2-CD1 3.77Å; W535-I539 HydrophobicContact CZ2-CD1 3.11Å; W535-I539 HydrophobicContact CZ2-CG1 4.47Å; W535-I539 HydrophobicContact CZ3-CD1 4.42Å; W535-I539 PolarHBondContact O-N 2.9Å; W535-I539 VanDerWaalsContact O-N 3.15Å; K536-I539 PolarHBondContact O-N 2.87Å; K536-I539 VanDerWaalsContact O-N 3.1Å; R537-I539 VanDerWaalsContact C-N 3.26Å; R537-I539 PolarHBondContact O-N 3.28Å; I539-S541 VanDerWaalsContact C-N 3.29Å; I539-S541 PolarHBondContact O-N 2.91Å; I539-R772 HydrophobicContact CG1-CB 4.45Å; I539-R772 HydrophobicContact CG2-CB 4.47Å
540	A	84.6	Confident	88.8	Confident	15 Å²	15	65.8 Å²	65.8	12%	0.124	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	42.6	-175.6	0	0	0	0	0	112.7	K536 R537 C773 N826 E902	K536-A540 PolarHBondContact O-N 2.93Å; K536-A540 VanDerWaalsContact O-N 3.11Å; R537-A540 PolarHBondContact O-N 3.46Å; R537-A540 VanDerWaalsContact O-N 3.09Å; A540-C773 HydrophobicContact CB-CB 4.28Å; A540-N826 WeakPolarHBondContact CB-ND2 3.44Å; A540-N826 WeakPolarHBondContact CB-OD1 3.29Å; A540-N826 PolarHBondContact O-ND2 3.48Å; A540-N826 VanDerWaalsContact O-ND2 3.07Å; A540-E902 WeakPolarHBondContact CA-OE1 3.31Å
541	S	81.3	Confident	88.9	Confident	38 Å²	38	62.2 Å²	62.2	27%	0.266	32%	0.323	S	S	.	.			trans	-117.3	124.3	174.2	177.9	0	0	0	0	110.4	I539 I543	I539-S541 VanDerWaalsContact C-N 3.29Å; I539-S541 PolarHBondContact O-N 2.91Å; S541-I543 VanDerWaalsContact C-N 3.32Å
542	P	76.4	Confident	89.1	Confident	131 Å²	131	61.9 Å²	61.9	85%	0.851	32%	0.321	S	S	*	.			trans	-81.6	-9.2	179.8	32.3	-34.6	0	0	0	113.5
543	I	85	Confident	89.2	Confident	113 Å²	113	66 Å²	66	58%	0.579	34%	0.343	S	S	*	.			trans	-88.2	129.1	-171.9	-55.6	172.7	0	0	0	110.5	K536 S541 D545	K536-I543 PolarHBondContact NZ-O 2.95Å; S541-I543 VanDerWaalsContact C-N 3.32Å; I543-D545 PolarHBondContact O-N 3.12Å
544	I	86.4	Confident	89.5	Confident	132 Å²	132	64.6 Å²	64.6	68%	0.677	33%	0.332	S	S	*	.			trans	-85.8	103.4	167.9	-55.5	176.9	0	0	0	107.9	T548 M549	I544-T548 HydrophobicContact CG2-CG2 4.21Å; I544-M549 HydrophobicContact CG2-CE 3.84Å
545	D	89.6	Confident	89.8	Confident	55 Å²	55	66.2 Å²	66.2	29%	0.294	34%	0.339	S	S	.	.			trans	-107.8	173.8	179.4	51.3	14.8	0	0	0	111.8	K536 I543 E547 T548 M549	K536-D545 IonicContact NZ-OD1 3.14Å; K536-D545 PolarHBondContact NZ-OD1 2.87Å; K536-D545 IonicContact NZ-OD2 3.87Å; K536-D545 PolarHBondContact NZ-OD2 2.92Å; I543-D545 PolarHBondContact O-N 3.12Å; D545-E547 PolarHBondContact O-N 3.36Å; D545-T548 PolarHBondContact N-OG1 2.83Å; D545-T548 VanDerWaalsContact N-OG1 3.07Å; D545-T548 WeakPolarHBondContact O-CA 3.39Å; D545-T548 WeakPolarHBondContact O-CB 3.49Å; D545-T548 PolarHBondContact O-N 2.95Å; D545-T548 PolarHBondContact O-OG1 3.28Å; D545-T548 PolarHBondContact OD1-N 3.49Å; D545-T548 PolarHBondContact OD1-OG1 2.89Å; D545-M549 PolarHBondContact O-N 3.41Å
546	L	90.4	Very high	90.1	Very high	151 Å²	151	68.6 Å²	68.6	79%	0.791	35%	0.348	S	S	*	.	H	α-helix	trans	-56.7	-32.5	173.9	-178	62	0	0	0	111.9	T548 M549 L550	L546-T548 VanDerWaalsContact C-N 3.31Å; L546-T548 PolarHBondContact O-N 3.47Å; L546-M549 PolarHBondContact O-N 3.27Å; L546-L550 PolarHBondContact O-N 3.48Å
547	E	90.5	Very high	90.4	Very high	115 Å²	115	67.9 Å²	67.9	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-39.3	174.4	-167.9	-174.3	156.8	0	0	111.6	W535 D545 M549 L550 K551	W535-E547 HydrophobicContact CH2-CG 4.21Å; D545-E547 PolarHBondContact O-N 3.36Å; E547-M549 PolarHBondContact O-N 2.9Å; E547-L550 PolarHBondContact O-N 3.19Å; E547-K551 WeakPolarHBondContact O-CB 3.41Å; E547-K551 PolarHBondContact O-N 2.99Å
548	T	92.6	Very high	90.8	Very high	6 Å²	6	63.5 Å²	63.5	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-59.5	-47.1	173.8	-41.9	0	0	0	0	111.8	T532 K536 I544 D545 L546 K551 F552	T532-T548 HydrophobicContact CG2-CG2 3.72Å; K536-T548 HydrophobicContact CD-CG2 4.44Å; K536-T548 VanDerWaalsContact CE-CG2 3.5Å; K536-T548 WeakPolarHBondContact CE-OG1 3.49Å; K536-T548 HydrophobicContact CG-CG2 4.04Å; K536-T548 PolarHBondContact NZ-OG1 3.46Å; I544-T548 HydrophobicContact CG2-CG2 4.21Å; D545-T548 PolarHBondContact N-OG1 2.83Å; D545-T548 VanDerWaalsContact N-OG1 3.07Å; D545-T548 WeakPolarHBondContact O-CA 3.39Å; D545-T548 WeakPolarHBondContact O-CB 3.49Å; D545-T548 PolarHBondContact O-N 2.95Å; D545-T548 PolarHBondContact O-OG1 3.28Å; D545-T548 PolarHBondContact OD1-N 3.49Å; D545-T548 PolarHBondContact OD1-OG1 2.89Å; L546-T548 VanDerWaalsContact C-N 3.31Å; L546-T548 PolarHBondContact O-N 3.47Å; T548-K551 PolarHBondContact O-N 3.48Å; T548-F552 PolarHBondContact O-N 3.22Å
549	M	92.8	Very high	91.2	Very high	93 Å²	93	61.6 Å²	61.6	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-44.5	-179.3	-67.2	-64	98	0	0	110.6	I544 D545 L546 E547 K551 F552 L553	I544-M549 HydrophobicContact CG2-CE 3.84Å; D545-M549 PolarHBondContact O-N 3.41Å; L546-M549 PolarHBondContact O-N 3.27Å; E547-M549 PolarHBondContact O-N 2.9Å; M549-K551 VanDerWaalsContact C-N 3.34Å; M549-K551 PolarHBondContact O-N 3.33Å; M549-F552 PolarHBondContact O-N 3.39Å; M549-L553 WeakPolarHBondContact O-CG 3.4Å; M549-L553 PolarHBondContact O-N 2.91Å
550	L	93.9	Very high	91.6	Very high	102 Å²	102	61.7 Å²	61.7	53%	0.534	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-42.5	174.9	-176.7	62.4	0	0	0	111.6	L546 E547 F552 L553 L554	L546-L550 PolarHBondContact O-N 3.48Å; E547-L550 PolarHBondContact O-N 3.19Å; L550-F552 PolarHBondContact O-N 3.04Å; L550-L553 PolarHBondContact O-N 2.89Å; L550-L554 HydrophobicContact CG-CD1 4.3Å; L550-L554 WeakPolarHBondContact O-CG 3.48Å; L550-L554 PolarHBondContact O-N 2.76Å
551	K	93.5	Very high	92.2	Very high	20 Å²	20	61 Å²	61	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.2	-162.7	75	168.2	-169.8	0	112.1	W535 E547 T548 M549 L554 F555 H615 M619	W535-K551 HydrophobicContact CD2-CD 4.26Å; W535-K551 HydrophobicContact CD2-CG 3.69Å; W535-K551 HydrophobicContact CE3-CB 4.04Å; W535-K551 HydrophobicContact CE3-CG 3.69Å; W535-K551 HydrophobicContact CG-CG 4.32Å; W535-K551 HydrophobicContact CH2-CB 3.87Å; W535-K551 HydrophobicContact CH2-CD 4.28Å; W535-K551 HydrophobicContact CH2-CG 3.93Å; W535-K551 HydrophobicContact CZ2-CB 4.34Å; W535-K551 HydrophobicContact CZ2-CD 3.89Å; W535-K551 HydrophobicContact CZ2-CG 3.93Å; W535-K551 HydrophobicContact CZ3-CB 3.7Å; W535-K551 HydrophobicContact CZ3-CG 3.8Å; E547-K551 WeakPolarHBondContact O-CB 3.41Å; E547-K551 PolarHBondContact O-N 2.99Å; T548-K551 PolarHBondContact O-N 3.48Å; M549-K551 VanDerWaalsContact C-N 3.34Å; M549-K551 PolarHBondContact O-N 3.33Å; K551-L554 PolarHBondContact O-N 3.26Å; K551-F555 HydrophobicContact CD-CE2 4.43Å; K551-F555 HydrophobicContact CD-CZ 4.27Å; K551-F555 HydrophobicContact CG-CD2 4.17Å; K551-F555 HydrophobicContact CG-CE2 3.67Å; K551-F555 HydrophobicContact CG-CZ 3.99Å; K551-F555 PolarHBondContact O-N 3.1Å; K551-H615 WeakPolarHBondContact CE-NE2 3.12Å; K551-H615 PolarHBondContact NZ-NE2 2.8Å; K551-M619 PolarHBondContact NZ-SD 3.21Å; K551-M619 VanDerWaalsContact NZ-SD 3.37Å
552	F	95.6	Very high	93	Very high	36 Å²	36	61 Å²	61	16%	0.158	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-48	173.5	167.4	-104.7	0	0	0	111.2	V525 L529 T532 T548 M549 L550 L554 F555 Y556	V525-F552 HydrophobicContact CG1-CZ 4.34Å; L529-F552 HydrophobicContact CD2-CD2 3.86Å; L529-F552 HydrophobicContact CD2-CE2 3.59Å; L529-F552 HydrophobicContact CD2-CZ 4.2Å; L529-F552 HydrophobicContact CG-CD2 4.31Å; L529-F552 HydrophobicContact CG-CE2 3.7Å; L529-F552 HydrophobicContact CG-CZ 4.39Å; T532-F552 HydrophobicContact CG2-CB 4.13Å; T532-F552 WeakPolarHBondContact OG1-CA 3.36Å; T548-F552 PolarHBondContact O-N 3.22Å; M549-F552 PolarHBondContact O-N 3.39Å; L550-F552 PolarHBondContact O-N 3.04Å; F552-L554 VanDerWaalsContact C-N 3.28Å; F552-L554 PolarHBondContact O-N 3.46Å; F552-F555 PolarHBondContact O-N 2.76Å; F552-F555 VanDerWaalsContact O-N 3.17Å; F552-Y556 HydrophobicContact CZ-CG 4.48Å; F552-Y556 VanDerWaalsContact O-CB 3.26Å; F552-Y556 WeakPolarHBondContact O-CB 3.47Å; F552-Y556 PolarHBondContact O-N 2.92Å
553	L	96	Very high	94	Very high	100 Å²	100	55.5 Å²	55.5	52%	0.524	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-37.2	177.5	-68.2	174.1	0	0	0	112.4	M549 L550 Y556 S557	M549-L553 WeakPolarHBondContact O-CG 3.4Å; M549-L553 PolarHBondContact O-N 2.91Å; L550-L553 PolarHBondContact O-N 2.89Å; L553-Y556 PolarHBondContact O-N 2.84Å; L553-S557 WeakPolarHBondContact O-CB 3.42Å; L553-S557 PolarHBondContact O-N 3.31Å; L553-S557 PolarHBondContact O-OG 3.01Å
554	L	96.1	Very high	94.6	Very high	40 Å²	40	51.6 Å²	51.6	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-72	-30.1	176.8	-69.4	172.2	0	0	0	113.8	L550 K551 F552 S557 V611 H615	L550-L554 HydrophobicContact CG-CD1 4.3Å; L550-L554 WeakPolarHBondContact O-CG 3.48Å; L550-L554 PolarHBondContact O-N 2.76Å; K551-L554 PolarHBondContact O-N 3.26Å; F552-L554 VanDerWaalsContact C-N 3.28Å; F552-L554 PolarHBondContact O-N 3.46Å; L554-S557 PolarHBondContact O-OG 3.38Å; L554-V611 HydrophobicContact CD2-CG1 3.59Å; L554-H615 HydrophobicContact CD2-CB 4.39Å
555	F	95.8	Very high	95.1	Very high	36 Å²	36	45.9 Å²	45.9	16%	0.158	23%	0.229	C	C	.	.	H	α-helix	trans	-75.6	-42.4	170.6	-69	-34	0	0	0	111.1	K531 W535 K551 F552 G558 D559 H615	K531-F555 HydrophobicContact CB-CD2 3.84Å; K531-F555 HydrophobicContact CB-CE2 4.23Å; K531-F555 HydrophobicContact CB-CG 4.22Å; K531-F555 HydrophobicContact CD-CB 4.43Å; K531-F555 HydrophobicContact CD-CG 4.46Å; W535-F555 HydrophobicContact CB-CE2 3.91Å; W535-F555 HydrophobicContact CB-CZ 4.25Å; W535-F555 HydrophobicContact CG-CE2 4.23Å; W535-F555 HydrophobicContact CG-CZ 4.34Å; K551-F555 HydrophobicContact CD-CE2 4.43Å; K551-F555 HydrophobicContact CD-CZ 4.27Å; K551-F555 HydrophobicContact CG-CD2 4.17Å; K551-F555 HydrophobicContact CG-CE2 3.67Å; K551-F555 HydrophobicContact CG-CZ 3.99Å; K551-F555 PolarHBondContact O-N 3.1Å; F552-F555 PolarHBondContact O-N 2.76Å; F552-F555 VanDerWaalsContact O-N 3.17Å; F555-G558 PolarHBondContact O-N 2.94Å; F555-G558 VanDerWaalsContact O-N 3.16Å; F555-D559 PolarHBondContact O-N 2.96Å; F555-H615 AromaticContact CE1-CE1 3.84Å
556	Y	96.8	Very high	95.4	Very high	61 Å²	61	48.4 Å²	48.4	24%	0.239	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-42.5	178.8	-179.1	-122.4	0	0	0	112.8	A524 V525 S528 F552 L553 G558 D559 L560	A524-Y556 HydrophobicContact CB-CE2 4.37Å; V525-Y556 HydrophobicContact CB-CE2 4.29Å; V525-Y556 HydrophobicContact CG2-CD2 4.07Å; V525-Y556 HydrophobicContact CG2-CE2 3.35Å; S528-Y556 VanDerWaalsContact OG-CA 3.22Å; S528-Y556 WeakPolarHBondContact OG-CA 3.21Å; F552-Y556 HydrophobicContact CZ-CG 4.48Å; F552-Y556 VanDerWaalsContact O-CB 3.26Å; F552-Y556 WeakPolarHBondContact O-CB 3.47Å; F552-Y556 PolarHBondContact O-N 2.92Å; L553-Y556 PolarHBondContact O-N 2.84Å; Y556-G558 PolarHBondContact O-N 3.49Å; Y556-D559 PolarHBondContact O-N 3.17Å; Y556-L560 HydrophobicContact CE1-CD2 4.04Å; Y556-L560 HydrophobicContact CE2-CB 4.23Å; Y556-L560 WeakPolarHBondContact O-CB 3.33Å; Y556-L560 PolarHBondContact O-N 3.22Å
557	S	96.8	Very high	95.7	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-42.2	174.2	63	0	0	0	0	111.6	L553 L554 A561 L608	L553-S557 WeakPolarHBondContact O-CB 3.42Å; L553-S557 PolarHBondContact O-N 3.31Å; L553-S557 PolarHBondContact O-OG 3.01Å; L554-S557 PolarHBondContact O-OG 3.38Å; S557-A561 VanDerWaalsContact O-CB 3.26Å; S557-A561 WeakPolarHBondContact O-CB 3.37Å; S557-A561 PolarHBondContact O-N 2.88Å; S557-L608 WeakPolarHBondContact O-CB 3.44Å
558	G	95.9	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-42.6	178.1	0	0	0	0	0	114.9	F555 Y556 N562	F555-G558 PolarHBondContact O-N 2.94Å; F555-G558 VanDerWaalsContact O-N 3.16Å; Y556-G558 PolarHBondContact O-N 3.49Å; G558-N562 VanDerWaalsContact O-CG 3.29Å; G558-N562 PolarHBondContact O-N 3.16Å; G558-N562 PolarHBondContact O-ND2 3.45Å
559	D	96.7	Very high	96.2	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-73	-39	179	-69.7	-28.2	0	0	0	111.2	A524 Y527 S528 K531 F555 Y556 A561 N562 V563	A524-D559 HydrophobicContact CB-CB 4Å; Y527-D559 VanDerWaalsContact CD1-OD2 3.26Å; Y527-D559 WeakPolarHBondContact CD1-OD2 3.3Å; S528-D559 PolarHBondContact OG-OD2 3.42Å; S528-D559 VanDerWaalsContact OG-OD2 3.09Å; K531-D559 IonicContact NZ-OD1 3.47Å; K531-D559 PolarHBondContact NZ-OD1 3.05Å; K531-D559 IonicContact NZ-OD2 2.8Å; K531-D559 PolarHBondContact NZ-OD2 3.2Å; F555-D559 PolarHBondContact O-N 2.96Å; Y556-D559 PolarHBondContact O-N 3.17Å; D559-A561 PolarHBondContact O-N 3.5Å; D559-N562 WeakPolarHBondContact O-CB 2.96Å; D559-N562 PolarHBondContact O-N 3.28Å; D559-V563 WeakPolarHBondContact O-CG2 3.39Å; D559-V563 PolarHBondContact O-N 3.03Å
560	L	96.9	Very high	96.3	Very high	31 Å²	31	34.4 Å²	34.4	16%	0.162	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-38.2	172.9	-174.2	62.3	0	0	0	112.1	Y556 N562 V563 F564 L608	Y556-L560 HydrophobicContact CE1-CD2 4.04Å; Y556-L560 HydrophobicContact CE2-CB 4.23Å; Y556-L560 WeakPolarHBondContact O-CB 3.33Å; Y556-L560 PolarHBondContact O-N 3.22Å; L560-N562 VanDerWaalsContact C-N 3.3Å; L560-N562 PolarHBondContact O-N 3.03Å; L560-V563 WeakPolarHBondContact O-CB 3.39Å; L560-V563 PolarHBondContact O-N 3.23Å; L560-F564 HydrophobicContact CD1-CD2 4.36Å; L560-F564 HydrophobicContact CD1-CE2 3.96Å; L560-F564 HydrophobicContact CD1-CZ 4.47Å; L560-F564 HydrophobicContact CD2-CE2 4.01Å; L560-F564 HydrophobicContact CG-CD2 3.99Å; L560-F564 HydrophobicContact CG-CE2 3.65Å; L560-F564 WeakPolarHBondContact O-CD2 3.48Å; L560-F564 PolarHBondContact O-N 3.02Å; L560-L608 HydrophobicContact CB-CD1 4.28Å; L560-L608 HydrophobicContact CD2-CD1 3.76Å; L560-L608 HydrophobicContact CG-CD1 3.93Å
561	A	97.8	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-40.4	173	0	0	0	0	0	112.2	S557 D559 V563 F564 F565 L608 K609	S557-A561 VanDerWaalsContact O-CB 3.26Å; S557-A561 WeakPolarHBondContact O-CB 3.37Å; S557-A561 PolarHBondContact O-N 2.88Å; D559-A561 PolarHBondContact O-N 3.5Å; A561-V563 VanDerWaalsContact C-N 3.34Å; A561-F564 PolarHBondContact O-N 3.23Å; A561-F565 VanDerWaalsContact O-CB 3.31Å; A561-F565 WeakPolarHBondContact O-CB 3.34Å; A561-F565 PolarHBondContact O-N 3.43Å; A561-L608 HydrophobicContact CB-CB 3.78Å; A561-K609 HydrophobicContact CB-CB 3.95Å; A561-K609 HydrophobicContact CB-CD 4.04Å
562	N	96.9	Very high	96.3	Very high	40 Å²	40	29.8 Å²	29.8	21%	0.214	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-38	175.7	-64	-29	0	0	0	111.5	G558 D559 L560 F565 I566 K609	G558-N562 VanDerWaalsContact O-CG 3.29Å; G558-N562 PolarHBondContact O-N 3.16Å; G558-N562 PolarHBondContact O-ND2 3.45Å; D559-N562 WeakPolarHBondContact O-CB 2.96Å; D559-N562 PolarHBondContact O-N 3.28Å; L560-N562 VanDerWaalsContact C-N 3.3Å; L560-N562 PolarHBondContact O-N 3.03Å; N562-F565 PolarHBondContact O-N 3.37Å; N562-I566 WeakPolarHBondContact O-CB 3.47Å; N562-I566 VanDerWaalsContact O-CG1 3.26Å; N562-I566 WeakPolarHBondContact O-CG1 3.36Å; N562-I566 PolarHBondContact O-N 2.82Å; N562-K609 PolarHBondContact OD1-NZ 3.38Å
563	V	97.6	Very high	96.2	Very high	14 Å²	14	31 Å²	31	9%	0.085	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-52.8	174.6	170.7	0	0	0	0	110.7	L517 L520 A524 D559 L560 A561 F565 I566 V567	L517-V563 HydrophobicContact CD2-CG1 4.26Å; L520-V563 HydrophobicContact CB-CB 4.36Å; L520-V563 HydrophobicContact CB-CG1 3.53Å; L520-V563 HydrophobicContact CB-CG2 3.94Å; L520-V563 HydrophobicContact CD1-CG1 4.47Å; L520-V563 WeakPolarHBondContact O-CG2 3.28Å; A524-V563 HydrophobicContact CB-CG2 3.83Å; D559-V563 WeakPolarHBondContact O-CG2 3.39Å; D559-V563 PolarHBondContact O-N 3.03Å; L560-V563 WeakPolarHBondContact O-CB 3.39Å; L560-V563 PolarHBondContact O-N 3.23Å; A561-V563 VanDerWaalsContact C-N 3.34Å; V563-F565 VanDerWaalsContact C-N 3.3Å; V563-F565 PolarHBondContact O-N 3.18Å; V563-I566 PolarHBondContact O-N 3.25Å; V563-V567 HydrophobicContact CG1-CG2 4.46Å; V563-V567 WeakPolarHBondContact O-CG2 3.35Å; V563-V567 PolarHBondContact O-N 2.86Å
564	F	97.3	Very high	96.1	Very high	31 Å²	31	30.6 Å²	30.6	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-47	177.3	-76.5	-60.4	0	0	0	111.1	L517 L560 A561 I566 V567 T568 Y601 C604 A605 L608	L517-F564 HydrophobicContact CD1-CE1 4.28Å; L517-F564 HydrophobicContact CD2-CD1 3.56Å; L517-F564 HydrophobicContact CD2-CE1 3.78Å; L560-F564 HydrophobicContact CD1-CD2 4.36Å; L560-F564 HydrophobicContact CD1-CE2 3.96Å; L560-F564 HydrophobicContact CD1-CZ 4.47Å; L560-F564 HydrophobicContact CD2-CE2 4.01Å; L560-F564 HydrophobicContact CG-CD2 3.99Å; L560-F564 HydrophobicContact CG-CE2 3.65Å; L560-F564 WeakPolarHBondContact O-CD2 3.48Å; L560-F564 PolarHBondContact O-N 3.02Å; A561-F564 PolarHBondContact O-N 3.23Å; F564-I566 PolarHBondContact O-N 3.04Å; F564-V567 PolarHBondContact O-N 2.8Å; F564-T568 WeakPolarHBondContact O-CB 3.48Å; F564-T568 VanDerWaalsContact O-CG2 3.32Å; F564-T568 WeakPolarHBondContact O-CG2 3.43Å; F564-T568 PolarHBondContact O-N 3.47Å; F564-T568 PolarHBondContact O-OG1 2.98Å; F564-Y601 HydrophobicContact CD1-CD1 4.27Å; F564-Y601 HydrophobicContact CD1-CG 4.49Å; F564-Y601 AromaticContact CE1-CD1 3.84Å; F564-Y601 HydrophobicContact CE1-CD1 3.84Å; F564-Y601 HydrophobicContact CE1-CE1 4.5Å; F564-Y601 HydrophobicContact CE1-CG 4.49Å; F564-C604 HydrophobicContact CD2-CB 4.43Å; F564-C604 HydrophobicContact CE2-CB 4.24Å; F564-A605 HydrophobicContact CB-CB 3.58Å; F564-L608 HydrophobicContact CD2-CD1 4.09Å; F564-L608 HydrophobicContact CE2-CD1 3.95Å
565	F	97.6	Very high	95.9	Very high	12 Å²	12	29.1 Å²	29.1	5%	0.053	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-48.5	178.1	177.6	-103.1	0	0	0	112.9	A561 N562 V563 V567 T568 V569 L730 I931 I934 L935	A561-F565 VanDerWaalsContact O-CB 3.31Å; A561-F565 WeakPolarHBondContact O-CB 3.34Å; A561-F565 PolarHBondContact O-N 3.43Å; N562-F565 PolarHBondContact O-N 3.37Å; V563-F565 VanDerWaalsContact C-N 3.3Å; V563-F565 PolarHBondContact O-N 3.18Å; F565-V567 PolarHBondContact O-N 2.96Å; F565-T568 PolarHBondContact O-N 3.39Å; F565-T568 PolarHBondContact O-OG1 3.34Å; F565-V569 HydrophobicContact CD2-CG2 3.99Å; F565-V569 HydrophobicContact CE1-CG2 4.22Å; F565-V569 HydrophobicContact CE2-CG2 3.68Å; F565-V569 HydrophobicContact CG-CG2 4.4Å; F565-V569 HydrophobicContact CZ-CG2 3.81Å; F565-V569 VanDerWaalsContact O-CB 3.29Å; F565-V569 WeakPolarHBondContact O-CB 3.39Å; F565-V569 WeakPolarHBondContact O-CG2 3.24Å; F565-V569 PolarHBondContact O-N 3.27Å; F565-L730 HydrophobicContact CE1-CD2 4.45Å; F565-L730 HydrophobicContact CZ-CD1 4.25Å; F565-L730 HydrophobicContact CZ-CD2 4.23Å; F565-I931 HydrophobicContact CB-CG2 4.44Å; F565-I931 HydrophobicContact CD1-CD1 4.29Å; F565-I931 HydrophobicContact CD1-CG1 4.22Å; F565-I931 HydrophobicContact CD1-CG2 4.17Å; F565-I931 HydrophobicContact CD2-CG2 4.06Å; F565-I931 HydrophobicContact CE1-CD1 4.35Å; F565-I931 HydrophobicContact CE1-CG1 3.94Å; F565-I931 HydrophobicContact CE1-CG2 4.45Å; F565-I931 HydrophobicContact CE2-CG2 4.35Å; F565-I931 HydrophobicContact CG-CG2 3.95Å; F565-I931 HydrophobicContact CZ-CG1 4.29Å; F565-I934 HydrophobicContact CE2-CB 4.34Å; F565-I934 HydrophobicContact CE2-CG2 3.8Å; F565-I934 HydrophobicContact CZ-CD1 4.18Å; F565-I934 HydrophobicContact CZ-CG2 4.28Å; F565-L935 HydrophobicContact CD2-CD1 4.34Å; F565-L935 HydrophobicContact CD2-CD2 3.84Å; F565-L935 HydrophobicContact CD2-CG 3.95Å; F565-L935 HydrophobicContact CE2-CG 4.45Å
566	I	96.9	Very high	95.8	Very high	109 Å²	109	28.6 Å²	28.6	56%	0.559	15%	0.151	S	C	*	.	H	α-helix	trans	-63.2	-44.2	-179.7	-70.4	165.9	0	0	0	110.6	N562 V563 F564 G570	N562-I566 WeakPolarHBondContact O-CB 3.47Å; N562-I566 VanDerWaalsContact O-CG1 3.26Å; N562-I566 WeakPolarHBondContact O-CG1 3.36Å; N562-I566 PolarHBondContact O-N 2.82Å; V563-I566 PolarHBondContact O-N 3.25Å; F564-I566 PolarHBondContact O-N 3.04Å; I566-G570 PolarHBondContact O-N 3.02Å
567	V	96.5	Very high	95.5	Very high	13 Å²	13	29.8 Å²	29.8	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-43.1	-179.2	174.5	0	0	0	0	111.4	T513 A516 L517 L520 V563 F564 F565 G570 T571	T513-V567 HydrophobicContact CG2-CG1 3.82Å; A516-V567 HydrophobicContact CB-CG2 4.25Å; L517-V567 HydrophobicContact CD2-CB 3.94Å; L517-V567 HydrophobicContact CD2-CG1 3.98Å; L517-V567 HydrophobicContact CD2-CG2 3.95Å; L517-V567 HydrophobicContact CG-CG1 4.08Å; L517-V567 HydrophobicContact CG-CG2 4.49Å; L520-V567 HydrophobicContact CD1-CG2 3.82Å; V563-V567 HydrophobicContact CG1-CG2 4.46Å; V563-V567 WeakPolarHBondContact O-CG2 3.35Å; V563-V567 PolarHBondContact O-N 2.86Å; F564-V567 PolarHBondContact O-N 2.8Å; F565-V567 PolarHBondContact O-N 2.96Å; V567-G570 PolarHBondContact O-N 3.45Å; V567-T571 WeakPolarHBondContact O-CB 3.49Å; V567-T571 PolarHBondContact O-N 3.28Å; V567-T571 PolarHBondContact O-OG1 2.84Å
568	T	96	Very high	95.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-41.6	179.5	56.1	0	0	0	0	111.3	F564 F565 T571 G572 F598 I602 Y722	F564-T568 WeakPolarHBondContact O-CB 3.48Å; F564-T568 VanDerWaalsContact O-CG2 3.32Å; F564-T568 WeakPolarHBondContact O-CG2 3.43Å; F564-T568 PolarHBondContact O-N 3.47Å; F564-T568 PolarHBondContact O-OG1 2.98Å; F565-T568 PolarHBondContact O-N 3.39Å; F565-T568 PolarHBondContact O-OG1 3.34Å; T568-T571 PolarHBondContact O-N 3.17Å; T568-G572 PolarHBondContact O-N 3.5Å; T568-F598 HydrophobicContact CG2-CD2 4.49Å; T568-F598 HydrophobicContact CG2-CE2 4.06Å; T568-I602 HydrophobicContact CG2-CG1 3.82Å; T568-Y722 PolarHBondContact OG1-OH 2.97Å
569	V	96.7	Very high	94.8	Very high	15 Å²	15	34.5 Å²	34.5	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-45.2	175.5	171	0	0	0	0	110.6	F565 T571 G572 L573 Y722 A726 L730	F565-V569 HydrophobicContact CD2-CG2 3.99Å; F565-V569 HydrophobicContact CE1-CG2 4.22Å; F565-V569 HydrophobicContact CE2-CG2 3.68Å; F565-V569 HydrophobicContact CG-CG2 4.4Å; F565-V569 HydrophobicContact CZ-CG2 3.81Å; F565-V569 VanDerWaalsContact O-CB 3.29Å; F565-V569 WeakPolarHBondContact O-CB 3.39Å; F565-V569 WeakPolarHBondContact O-CG2 3.24Å; F565-V569 PolarHBondContact O-N 3.27Å; V569-T571 VanDerWaalsContact C-N 3.34Å; V569-T571 PolarHBondContact O-N 2.98Å; V569-G572 PolarHBondContact O-N 3.25Å; V569-L573 VanDerWaalsContact O-CB 3.31Å; V569-L573 WeakPolarHBondContact O-CB 3.23Å; V569-L573 PolarHBondContact O-N 3.41Å; V569-Y722 HydrophobicContact CG2-CE1 4.03Å; V569-Y722 WeakPolarHBondContact CG2-OH 3.4Å; V569-A726 HydrophobicContact CG2-CB 3.84Å; V569-L730 HydrophobicContact CG1-CD1 3.96Å
570	G	95.4	Very high	94.5	Very high	40 Å²	40	34.6 Å²	34.6	41%	0.412	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-41.8	176.6	0	0	0	0	0	112.7	I566 V567 L573 Y574	I566-G570 PolarHBondContact O-N 3.02Å; V567-G570 PolarHBondContact O-N 3.45Å; G570-L573 PolarHBondContact O-N 2.65Å; G570-Y574 WeakPolarHBondContact O-CB 3.36Å; G570-Y574 PolarHBondContact O-N 2.69Å
571	T	93.4	Very high	94	Very high	25 Å²	25	36.2 Å²	36.2	15%	0.153	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-44	176.7	-55.7	0	0	0	0	111.6	V567 T568 V569 Y574 W575 F598	V567-T571 WeakPolarHBondContact O-CB 3.49Å; V567-T571 PolarHBondContact O-N 3.28Å; V567-T571 PolarHBondContact O-OG1 2.84Å; T568-T571 PolarHBondContact O-N 3.17Å; V569-T571 VanDerWaalsContact C-N 3.34Å; V569-T571 PolarHBondContact O-N 2.98Å; T571-Y574 WeakPolarHBondContact O-CB 3.19Å; T571-Y574 PolarHBondContact O-N 2.94Å; T571-W575 VanDerWaalsContact O-CD1 3.28Å; T571-W575 PolarHBondContact O-N 2.99Å; T571-W575 VanDerWaalsContact O-N 3.12Å; T571-F598 HydrophobicContact CG2-CD2 4.24Å; T571-F598 HydrophobicContact CG2-CE2 3.95Å
572	G	94.5	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-42.6	175.7	0	0	0	0	0	112.3	T568 V569 W575 L576	T568-G572 PolarHBondContact O-N 3.5Å; V569-G572 PolarHBondContact O-N 3.25Å; G572-W575 PolarHBondContact O-N 2.99Å; G572-L576 WeakPolarHBondContact O-CB 3.33Å; G572-L576 PolarHBondContact O-N 3.29Å
573	L	93.9	Very high	92.8	Very high	61 Å²	61	39.4 Å²	39.4	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-67	-39.8	176.7	-175	64.3	0	0	0	112.2	V569 G570 L576 I577 T727	V569-L573 VanDerWaalsContact O-CB 3.31Å; V569-L573 WeakPolarHBondContact O-CB 3.23Å; V569-L573 PolarHBondContact O-N 3.41Å; G570-L573 PolarHBondContact O-N 2.65Å; L573-L576 PolarHBondContact O-N 3.02Å; L573-I577 HydrophobicContact CD1-CD1 3.77Å; L573-I577 HydrophobicContact CD1-CG1 4.09Å; L573-I577 HydrophobicContact CD2-CD1 4.43Å; L573-I577 HydrophobicContact CG-CD1 3.79Å; L573-I577 HydrophobicContact CG-CG1 4.41Å; L573-I577 WeakPolarHBondContact O-CG1 3.46Å; L573-I577 PolarHBondContact O-N 3.01Å; L573-T727 HydrophobicContact CD1-CG2 4.26Å
574	Y	92.8	Very high	92.1	Very high	93 Å²	93	42.3 Å²	42.3	37%	0.365	22%	0.223	S	C	.	.	H	α-helix	trans	-54.6	-54.7	173.6	170	-91.5	0	0	0	110.3	G570 T571 L576 I577 F578 V587	G570-Y574 WeakPolarHBondContact O-CB 3.36Å; G570-Y574 PolarHBondContact O-N 2.69Å; T571-Y574 WeakPolarHBondContact O-CB 3.19Å; T571-Y574 PolarHBondContact O-N 2.94Å; Y574-L576 PolarHBondContact O-N 3.41Å; Y574-I577 PolarHBondContact O-N 2.92Å; Y574-F578 AromaticContact CD2-CD2 3.23Å; Y574-F578 HydrophobicContact CD2-CD2 3.23Å; Y574-F578 AromaticContact CD2-CE2 3.43Å; Y574-F578 HydrophobicContact CD2-CE2 3.43Å; Y574-F578 VanDerWaalsContact CD2-CE2 3.43Å; Y574-F578 HydrophobicContact CD2-CG 4.26Å; Y574-F578 AromaticContact CE2-CD2 3.35Å; Y574-F578 HydrophobicContact CE2-CD2 3.35Å; Y574-F578 AromaticContact CE2-CE2 3.61Å; Y574-F578 HydrophobicContact CE2-CE2 3.61Å; Y574-F578 AromaticContact CE2-CG 3.98Å; Y574-F578 HydrophobicContact CE2-CG 3.98Å; Y574-F578 HydrophobicContact CE2-CZ 4.41Å; Y574-F578 AromaticContact CG-CD2 3.89Å; Y574-F578 HydrophobicContact CG-CD2 3.89Å; Y574-F578 HydrophobicContact CG-CE2 4.41Å; Y574-F578 WeakPolarHBondContact O-CB 3.28Å; Y574-F578 VanDerWaalsContact O-CD2 3.27Å; Y574-F578 WeakPolarHBondContact O-CD2 3.48Å; Y574-F578 PolarHBondContact O-N 3.31Å; Y574-V587 HydrophobicContact CE1-CG1 4.35Å
575	W	92.3	Very high	91.5	Very high	8 Å²	8	40.8 Å²	40.8	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-41.6	179	-76.2	112.3	0	0	0	112.4	M504 T571 G572 I577 Y579 V587 L588 L589 P590 I719 L720	M504-W575 HydrophobicContact SD-CH2 3.83Å; M504-W575 HydrophobicContact SD-CZ3 4.45Å; T571-W575 VanDerWaalsContact O-CD1 3.28Å; T571-W575 PolarHBondContact O-N 2.99Å; T571-W575 VanDerWaalsContact O-N 3.12Å; G572-W575 PolarHBondContact O-N 2.99Å; W575-I577 VanDerWaalsContact C-N 3.31Å; W575-I577 PolarHBondContact O-N 2.83Å; W575-Y579 WeakPolarHBondContact O-CB 3.12Å; W575-Y579 PolarHBondContact O-N 3.33Å; W575-V587 HydrophobicContact CE3-CG1 4.01Å; W575-V587 HydrophobicContact CH2-CB 4.35Å; W575-V587 HydrophobicContact CH2-CG1 3.16Å; W575-V587 HydrophobicContact CZ2-CG1 4.18Å; W575-V587 HydrophobicContact CZ3-CB 3.82Å; W575-V587 HydrophobicContact CZ3-CG1 3.05Å; W575-L588 WeakPolarHBondContact CH2-O 3.44Å; W575-L588 VanDerWaalsContact CZ3-C 3.44Å; W575-L588 WeakPolarHBondContact CZ3-O 3.27Å; W575-L589 HydrophobicContact CB-CD2 4.44Å; W575-L589 HydrophobicContact CE3-CD2 4.09Å; W575-P590 HydrophobicContact CZ2-CG 3.96Å; W575-I719 HydrophobicContact CB-CG2 3.85Å; W575-I719 HydrophobicContact CG-CG2 3.94Å; W575-L720 HydrophobicContact CB-CD2 3.92Å
576	L	92.4	Very high	90.9	Very high	26 Å²	26	42.3 Å²	42.3	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-44	177.8	-169.1	73.1	0	0	0	112.3	G572 L573 Y574 K580 L720 L724	G572-L576 WeakPolarHBondContact O-CB 3.33Å; G572-L576 PolarHBondContact O-N 3.29Å; L573-L576 PolarHBondContact O-N 3.02Å; Y574-L576 PolarHBondContact O-N 3.41Å; L576-K580 VanDerWaalsContact O-CB 3.27Å; L576-K580 WeakPolarHBondContact O-CB 3.36Å; L576-K580 PolarHBondContact O-N 3.45Å; L576-L720 HydrophobicContact CB-CD2 4.27Å; L576-L720 HydrophobicContact CD1-CD2 4.22Å; L576-L724 HydrophobicContact CD1-CB 4.33Å; L576-L724 HydrophobicContact CD2-CB 4.44Å
577	I	90.9	Very high	90.4	Very high	86 Å²	86	37.5 Å²	37.5	44%	0.441	20%	0.204	S	C	.	.	H	α-helix	trans	-77.3	-57.6	-179.5	-63.4	171.9	0	0	0	110.5	L573 Y574 W575 Y579 A581	L573-I577 HydrophobicContact CD1-CD1 3.77Å; L573-I577 HydrophobicContact CD1-CG1 4.09Å; L573-I577 HydrophobicContact CD2-CD1 4.43Å; L573-I577 HydrophobicContact CG-CD1 3.79Å; L573-I577 HydrophobicContact CG-CG1 4.41Å; L573-I577 WeakPolarHBondContact O-CG1 3.46Å; L573-I577 PolarHBondContact O-N 3.01Å; Y574-I577 PolarHBondContact O-N 2.92Å; W575-I577 VanDerWaalsContact C-N 3.31Å; W575-I577 PolarHBondContact O-N 2.83Å; I577-Y579 VanDerWaalsContact C-N 3.35Å; I577-Y579 PolarHBondContact O-N 3.05Å; I577-A581 WeakPolarHBondContact O-CA 3.48Å; I577-A581 WeakPolarHBondContact O-CB 3.31Å; I577-A581 PolarHBondContact O-N 2.91Å
578	F	89.4	Confident	90.1	Very high	102 Å²	102	37 Å²	37	45%	0.447	20%	0.201	S	C	.	.	H	α-helix	trans	-70.8	-29	-170.7	-73.1	-78.7	0	0	0	112.9	Y574 Q582 V587	Y574-F578 AromaticContact CD2-CD2 3.23Å; Y574-F578 HydrophobicContact CD2-CD2 3.23Å; Y574-F578 AromaticContact CD2-CE2 3.43Å; Y574-F578 HydrophobicContact CD2-CE2 3.43Å; Y574-F578 VanDerWaalsContact CD2-CE2 3.43Å; Y574-F578 HydrophobicContact CD2-CG 4.26Å; Y574-F578 AromaticContact CE2-CD2 3.35Å; Y574-F578 HydrophobicContact CE2-CD2 3.35Å; Y574-F578 AromaticContact CE2-CE2 3.61Å; Y574-F578 HydrophobicContact CE2-CE2 3.61Å; Y574-F578 AromaticContact CE2-CG 3.98Å; Y574-F578 HydrophobicContact CE2-CG 3.98Å; Y574-F578 HydrophobicContact CE2-CZ 4.41Å; Y574-F578 AromaticContact CG-CD2 3.89Å; Y574-F578 HydrophobicContact CG-CD2 3.89Å; Y574-F578 HydrophobicContact CG-CE2 4.41Å; Y574-F578 WeakPolarHBondContact O-CB 3.28Å; Y574-F578 VanDerWaalsContact O-CD2 3.27Å; Y574-F578 WeakPolarHBondContact O-CD2 3.48Å; Y574-F578 PolarHBondContact O-N 3.31Å; F578-Q582 VanDerWaalsContact O-CB 3.23Å; F578-Q582 WeakPolarHBondContact O-CB 3.46Å; F578-Q582 VanDerWaalsContact O-CD 3.28Å; F578-Q582 WeakPolarHBondContact O-CG 3.46Å; F578-Q582 PolarHBondContact O-NE2 2.9Å; F578-V587 HydrophobicContact CB-CG2 4.21Å
579	Y	89.9	Confident	89.8	Confident	7 Å²	7	37.1 Å²	37.1	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-78.2	-47.1	175	179.1	-110.8	0	0	0	112.4	G362 W575 I577 Q582 L589 D700 L720	G362-Y579 PolarHBondContact O-OH 3.3Å; W575-Y579 WeakPolarHBondContact O-CB 3.12Å; W575-Y579 PolarHBondContact O-N 3.33Å; I577-Y579 VanDerWaalsContact C-N 3.35Å; I577-Y579 PolarHBondContact O-N 3.05Å; Y579-Q582 PolarHBondContact O-NE2 3.24Å; Y579-L589 HydrophobicContact CD1-CD1 3.79Å; Y579-L589 HydrophobicContact CD1-CD2 3.79Å; Y579-L589 HydrophobicContact CD1-CG 3.7Å; Y579-L589 HydrophobicContact CD2-CD2 4.32Å; Y579-L589 HydrophobicContact CD2-CG 3.88Å; Y579-L589 HydrophobicContact CE1-CD1 3.38Å; Y579-L589 HydrophobicContact CE1-CD2 4.26Å; Y579-L589 HydrophobicContact CE1-CG 3.68Å; Y579-L589 HydrophobicContact CE2-CD1 4.31Å; Y579-L589 HydrophobicContact CE2-CG 3.89Å; Y579-L589 HydrophobicContact CG-CD1 4.38Å; Y579-L589 HydrophobicContact CG-CD2 3.81Å; Y579-L589 HydrophobicContact CG-CG 3.78Å; Y579-D700 WeakPolarHBondContact CE1-O 3.45Å; Y579-D700 VanDerWaalsContact OH-CA 3.29Å; Y579-D700 WeakPolarHBondContact OH-CA 3.47Å; Y579-D700 PolarHBondContact OH-N 2.96Å; Y579-D700 PolarHBondContact OH-O 2.97Å; Y579-L720 HydrophobicContact CD1-CD1 4Å; Y579-L720 HydrophobicContact CE1-CD1 4.3Å
580	K	90.4	Very high	89.5	Confident	11 Å²	11	36.8 Å²	36.8	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-82.6	-26.5	-174.4	-64.3	-66.9	-163.1	167.5	0	114.2	R313 L576 L696 L698 D700 W702	R313-K580 PolarHBondContact NH2-O 3.32Å; L576-K580 VanDerWaalsContact O-CB 3.27Å; L576-K580 WeakPolarHBondContact O-CB 3.36Å; L576-K580 PolarHBondContact O-N 3.45Å; K580-L696 WeakPolarHBondContact CE-O 3.35Å; K580-L698 PolarHBondContact NZ-O 3.21Å; K580-D700 WeakPolarHBondContact CD-O 3.4Å; K580-D700 VanDerWaalsContact CE-O 3.31Å; K580-D700 WeakPolarHBondContact CE-O 3.25Å; K580-D700 PolarHBondContact NZ-O 3.07Å; K580-D700 IonicContact NZ-OD1 2.8Å; K580-D700 PolarHBondContact NZ-OD1 2.54Å; K580-W702 PolarHBondContact NZ-O 2.85Å
581	A	86.4	Confident	89.1	Confident	65 Å²	65	36 Å²	36	54%	0.537	19%	0.186	S	C	.	.	S	Bend	trans	-103.1	2.9	-175.7	0	0	0	0	0	114.3	I577	I577-A581 WeakPolarHBondContact O-CA 3.48Å; I577-A581 WeakPolarHBondContact O-CB 3.31Å; I577-A581 PolarHBondContact O-N 2.91Å
582	Q	85.6	Confident	88.8	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.065	21%	0.205	C	C	.	.			trans	-72.5	146.3	179.8	66.3	-166.5	-47.1	0	0	113	F312 F578 Y579 F584 S586 V587	F312-Q582 HydrophobicContact CD2-CG 3.62Å; F312-Q582 HydrophobicContact CE2-CG 4.03Å; F578-Q582 VanDerWaalsContact O-CB 3.23Å; F578-Q582 WeakPolarHBondContact O-CB 3.46Å; F578-Q582 VanDerWaalsContact O-CD 3.28Å; F578-Q582 WeakPolarHBondContact O-CG 3.46Å; F578-Q582 PolarHBondContact O-NE2 2.9Å; Y579-Q582 PolarHBondContact O-NE2 3.24Å; Q582-F584 WeakPolarHBondContact CB-O 3.46Å; Q582-F584 PolarHBondContact OE1-O 2.97Å; Q582-S586 PolarHBondContact OE1-OG 3.45Å; Q582-V587 PolarHBondContact NE2-O 3.41Å; Q582-V587 VanDerWaalsContact OE1-N 3.14Å; Q582-V587 PolarHBondContact OE1-O 2.91Å
583	Q	82.3	Confident	88.4	Confident	93 Å²	93	43 Å²	43	44%	0.435	23%	0.234	S	C	.	.	S	Bend	trans	-87.4	-65.2	171.3	-173.9	-179.9	-26.3	0	0	110	S311 F312 R313	S311-Q583 CarbonylContact C-O 3.54Å; S311-Q583 PolarHBondContact OG-O 3.44Å; F312-Q583 PolarHBondContact N-O 3.32Å; R313-Q583 HydrophobicContact CB-CG 4.32Å; R313-Q583 PolarHBondContact N-O 3.4Å; R313-Q583 VanDerWaalsContact O-CG 3.24Å; R313-Q583 WeakPolarHBondContact O-CG 3.49Å
584	F	83.3	Confident	88	Confident	75 Å²	75	43.9 Å²	43.9	33%	0.329	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-85.7	150.8	171.5	-59.9	-76.5	0	0	0	110.5	Q582 S586	Q582-F584 WeakPolarHBondContact CB-O 3.46Å; Q582-F584 PolarHBondContact OE1-O 2.97Å; F584-S586 PolarHBondContact O-N 2.83Å
585	V	85.4	Confident	87.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.			trans	-73.9	101.3	179.8	-175.5	0	0	0	0	108.6	F310 F312 F361 L463 G470 L588	F310-V585 HydrophobicContact CB-CG2 3.98Å; F310-V585 WeakPolarHBondContact O-CG2 3.35Å; F312-V585 HydrophobicContact CD1-CG2 4.24Å; F312-V585 HydrophobicContact CD2-CG2 4.21Å; F312-V585 HydrophobicContact CE1-CG2 3.89Å; F312-V585 HydrophobicContact CE2-CG1 4.44Å; F312-V585 HydrophobicContact CE2-CG2 3.84Å; F312-V585 HydrophobicContact CG-CG2 4.39Å; F312-V585 HydrophobicContact CZ-CG1 4.34Å; F312-V585 HydrophobicContact CZ-CG2 3.67Å; F361-V585 HydrophobicContact CD1-CG2 4.14Å; F361-V585 HydrophobicContact CE1-CB 4.3Å; F361-V585 HydrophobicContact CE1-CG1 3.95Å; F361-V585 HydrophobicContact CE1-CG2 3.68Å; L463-V585 HydrophobicContact CD1-CB 4.39Å; L463-V585 HydrophobicContact CD1-CG1 3.79Å; L463-V585 HydrophobicContact CD2-CG1 4.37Å; G470-V585 WeakPolarHBondContact CA-O 3.38Å; G470-V585 PolarHBondContact N-O 3.33Å; V585-L588 HydrophobicContact CG1-CD2 3.96Å; V585-L588 HydrophobicContact CG1-CG 4.25Å
586	S	84.5	Confident	87.8	Confident	43 Å²	43	45.7 Å²	45.7	30%	0.301	25%	0.248	S	C	.	.			trans	-111.6	-28.2	178	55.3	0	0	0	0	111.8	Q582 F584	Q582-S586 PolarHBondContact OE1-OG 3.45Å; F584-S586 PolarHBondContact O-N 2.83Å
587	V	87.6	Confident	87.5	Confident	9 Å²	9	48.3 Å²	48.3	6%	0.055	26%	0.26	C	S	.	.			trans	-141.2	134.2	-176.5	-145	0	0	0	0	110.6	M504 Y574 W575 F578 Q582	M504-V587 HydrophobicContact CE-CG1 4Å; M504-V587 HydrophobicContact SD-CB 4.33Å; M504-V587 HydrophobicContact SD-CG1 3.56Å; M504-V587 VanDerWaalsContact SD-CG1 3.56Å; Y574-V587 HydrophobicContact CE1-CG1 4.35Å; W575-V587 HydrophobicContact CE3-CG1 4.01Å; W575-V587 HydrophobicContact CH2-CB 4.35Å; W575-V587 HydrophobicContact CH2-CG1 3.16Å; W575-V587 HydrophobicContact CZ2-CG1 4.18Å; W575-V587 HydrophobicContact CZ3-CB 3.82Å; W575-V587 HydrophobicContact CZ3-CG1 3.05Å; F578-V587 HydrophobicContact CB-CG2 4.21Å; Q582-V587 PolarHBondContact NE2-O 3.41Å; Q582-V587 VanDerWaalsContact OE1-N 3.14Å; Q582-V587 PolarHBondContact OE1-O 2.91Å
588	L	88.9	Confident	87.6	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.242	C	C	.	.			trans	-118.2	144.8	176.8	-68.3	172.6	0	0	0	110.7	L463 E503 M504 Q506 W575 V585	L463-L588 HydrophobicContact CB-CD1 3.86Å; E503-L588 WeakPolarHBondContact O-CD1 3.37Å; M504-L588 HydrophobicContact CB-CB 4.26Å; M504-L588 HydrophobicContact CB-CD1 4.5Å; M504-L588 HydrophobicContact CG-CB 4.09Å; M504-L588 HydrophobicContact SD-CB 4.21Å; M504-L588 PolarHBondContact SD-N 2.94Å; Q506-L588 PolarHBondContact NE2-O 3.45Å; W575-L588 WeakPolarHBondContact CH2-O 3.44Å; W575-L588 VanDerWaalsContact CZ3-C 3.44Å; W575-L588 WeakPolarHBondContact CZ3-O 3.27Å; V585-L588 HydrophobicContact CG1-CD2 3.96Å; V585-L588 HydrophobicContact CG1-CG 4.25Å
589	L	90.1	Very high	87.8	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.3	142.4	-178.4	-66.1	173.8	0	0	0	112.2	W575 Y579 R699 L720	W575-L589 HydrophobicContact CB-CD2 4.44Å; W575-L589 HydrophobicContact CE3-CD2 4.09Å; Y579-L589 HydrophobicContact CD1-CD1 3.79Å; Y579-L589 HydrophobicContact CD1-CD2 3.79Å; Y579-L589 HydrophobicContact CD1-CG 3.7Å; Y579-L589 HydrophobicContact CD2-CD2 4.32Å; Y579-L589 HydrophobicContact CD2-CG 3.88Å; Y579-L589 HydrophobicContact CE1-CD1 3.38Å; Y579-L589 HydrophobicContact CE1-CD2 4.26Å; Y579-L589 HydrophobicContact CE1-CG 3.68Å; Y579-L589 HydrophobicContact CE2-CD1 4.31Å; Y579-L589 HydrophobicContact CE2-CG 3.89Å; Y579-L589 HydrophobicContact CG-CD1 4.38Å; Y579-L589 HydrophobicContact CG-CD2 3.81Å; Y579-L589 HydrophobicContact CG-CG 3.78Å; L589-R699 HydrophobicContact CD1-CB 4.23Å; L589-R699 HydrophobicContact CD1-CG 3.97Å; L589-L720 HydrophobicContact CD1-CD1 3.78Å; L589-L720 HydrophobicContact CD1-CG 4.36Å; L589-L720 HydrophobicContact CD2-CD1 3.91Å; L589-L720 HydrophobicContact CD2-CD2 3.86Å; L589-L720 HydrophobicContact CD2-CG 3.78Å; L589-L720 HydrophobicContact CG-CD1 4.47Å
590	P	90	Very high	88	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.052	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56.7	146.9	170.2	-24.4	35.2	0	0	0	111.9	W575 Q594 E595 R699 I719	W575-P590 HydrophobicContact CZ2-CG 3.96Å; P590-Q594 HydrophobicContact CB-CB 3.92Å; P590-E595 HydrophobicContact CB-CG 4.26Å; P590-R699 VanDerWaalsContact O-CZ 3.31Å; P590-R699 PolarHBondContact O-NH1 3.3Å; P590-R699 PolarHBondContact O-NH2 2.89Å; P590-I719 HydrophobicContact CB-CD1 4.2Å; P590-I719 HydrophobicContact CG-CD1 3.68Å
591	L	86.9	Confident	88.2	Confident	23 Å²	23	47.7 Å²	47.7	12%	0.12	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66	155.4	174.6	-69.3	171.6	0	0	0	110.5	E503 S593 Q594 E595	E503-L591 HydrophobicContact CB-CD1 4.34Å; L591-S593 PolarHBondContact O-N 3.19Å; L591-S593 VanDerWaalsContact O-N 3.1Å; L591-Q594 HydrophobicContact CB-CG 4.43Å; L591-Q594 WeakPolarHBondContact O-CA 3.44Å; L591-Q594 WeakPolarHBondContact O-CB 3.44Å; L591-Q594 PolarHBondContact O-N 3.16Å; L591-E595 PolarHBondContact O-N 3.44Å
592	P	86.7	Confident	88.7	Confident	85 Å²	85	44.7 Å²	44.7	55%	0.552	24%	0.238	S	C	*	.	H	α-helix	trans	-51.2	-38.1	-178.9	-29.7	36.1	0	0	0	114.6	Q594 E595	P592-Q594 VanDerWaalsContact C-N 3.29Å; P592-Q594 PolarHBondContact O-N 2.98Å; P592-E595 PolarHBondContact O-N 3.47Å
593	S	86.3	Confident	89.3	Confident	87 Å²	87	45.6 Å²	45.6	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-65.8	-28.5	176	56.4	0	0	0	0	113.8	L591	L591-S593 PolarHBondContact O-N 3.19Å; L591-S593 VanDerWaalsContact O-N 3.1Å
594	Q	85.8	Confident	89.9	Confident	79 Å²	79	43.7 Å²	43.7	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-80.5	-24.3	177.1	-62.6	173	-28.9	0	0	111.7	P590 L591 P592 E596	P590-Q594 HydrophobicContact CB-CB 3.92Å; L591-Q594 HydrophobicContact CB-CG 4.43Å; L591-Q594 WeakPolarHBondContact O-CA 3.44Å; L591-Q594 WeakPolarHBondContact O-CB 3.44Å; L591-Q594 PolarHBondContact O-N 3.16Å; P592-Q594 VanDerWaalsContact C-N 3.29Å; P592-Q594 PolarHBondContact O-N 2.98Å; Q594-E596 VanDerWaalsContact C-N 3.28Å; Q594-E596 PolarHBondContact O-N 2.98Å
595	E	90.4	Very high	90.6	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.019	23%	0.232	C	C	.	.	H	α-helix	trans	-71.9	-19.5	177	-59.4	-169.7	155.8	0	0	112.5	P590 L591 P592 Q597 F598 V599 R699 S717 L718 I719	P590-E595 HydrophobicContact CB-CG 4.26Å; L591-E595 PolarHBondContact O-N 3.44Å; P592-E595 PolarHBondContact O-N 3.47Å; E595-Q597 PolarHBondContact O-N 3.24Å; E595-F598 WeakPolarHBondContact O-CB 3.33Å; E595-F598 PolarHBondContact O-N 2.98Å; E595-F598 VanDerWaalsContact O-N 3.07Å; E595-V599 WeakPolarHBondContact O-CG2 3.42Å; E595-V599 PolarHBondContact O-N 2.75Å; E595-R699 IonicContact OE1-NH1 3.79Å; E595-R699 PolarHBondContact OE1-NH1 2.61Å; E595-R699 VanDerWaalsContact OE1-NH1 3.15Å; E595-S717 WeakPolarHBondContact OE1-CB 3.27Å; E595-S717 PolarHBondContact OE1-OG 2.88Å; E595-L718 VanDerWaalsContact OE2-CB 3.31Å; E595-L718 WeakPolarHBondContact OE2-CB 3.5Å; E595-L718 WeakPolarHBondContact OE2-CG 3.46Å; E595-L718 PolarHBondContact OE2-N 2.85Å; E595-I719 HydrophobicContact CB-CD1 4.46Å; E595-I719 HydrophobicContact CB-CG1 4.39Å; E595-I719 HydrophobicContact CG-CD1 3.77Å; E595-I719 HydrophobicContact CG-CG1 3.95Å
596	E	89.9	Confident	91.2	Very high	136 Å²	136	42.4 Å²	42.4	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-60.2	-40.5	-178.2	-170.1	-178.6	177.4	0	0	113.2	Q594 F598 V599 T600	Q594-E596 VanDerWaalsContact C-N 3.28Å; Q594-E596 PolarHBondContact O-N 2.98Å; E596-F598 VanDerWaalsContact C-N 3.3Å; E596-F598 PolarHBondContact O-N 2.91Å; E596-V599 PolarHBondContact O-N 3.47Å; E596-T600 PolarHBondContact O-N 3.43Å; E596-T600 PolarHBondContact O-OG1 3.36Å
597	Q	87.8	Confident	91.9	Very high	80 Å²	80	42.9 Å²	42.9	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-39.7	175.4	-70.2	178.1	3.8	0	0	111.3	E595 T600 Y601	E595-Q597 PolarHBondContact O-N 3.24Å; Q597-T600 WeakPolarHBondContact O-CB 3.48Å; Q597-T600 PolarHBondContact O-N 2.89Å; Q597-Y601 WeakPolarHBondContact O-CD2 3.39Å; Q597-Y601 PolarHBondContact O-N 2.65Å
598	F	91.8	Very high	92.4	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-44.3	177.3	177.6	-99.9	0	0	0	111.9	T568 T571 E595 E596 T600 Y601 I602 I719 Y722	T568-F598 HydrophobicContact CG2-CD2 4.49Å; T568-F598 HydrophobicContact CG2-CE2 4.06Å; T571-F598 HydrophobicContact CG2-CD2 4.24Å; T571-F598 HydrophobicContact CG2-CE2 3.95Å; E595-F598 WeakPolarHBondContact O-CB 3.33Å; E595-F598 PolarHBondContact O-N 2.98Å; E595-F598 VanDerWaalsContact O-N 3.07Å; E596-F598 VanDerWaalsContact C-N 3.3Å; E596-F598 PolarHBondContact O-N 2.91Å; F598-T600 VanDerWaalsContact C-N 3.26Å; F598-T600 PolarHBondContact O-N 2.67Å; F598-Y601 PolarHBondContact O-N 2.9Å; F598-I602 HydrophobicContact CD1-CD1 3.83Å; F598-I602 HydrophobicContact CE1-CD1 3.38Å; F598-I602 HydrophobicContact CE1-CG1 4.44Å; F598-I602 HydrophobicContact CZ-CD1 3.85Å; F598-I602 PolarHBondContact O-N 2.65Å; F598-I719 HydrophobicContact CB-CG1 4.42Å; F598-I719 HydrophobicContact CD1-CB 4.44Å; F598-I719 HydrophobicContact CD1-CG1 3.58Å; F598-I719 HydrophobicContact CE1-CB 4.27Å; F598-I719 HydrophobicContact CE1-CG1 3.9Å; F598-I719 HydrophobicContact CE1-CG2 4.42Å; F598-I719 HydrophobicContact CG-CD1 4.47Å; F598-I719 HydrophobicContact CG-CG1 3.98Å; F598-I719 HydrophobicContact CZ-CG2 4.47Å; F598-Y722 AromaticContact CE1-CD1 3.95Å; F598-Y722 HydrophobicContact CE1-CD1 3.95Å; F598-Y722 HydrophobicContact CE1-CG 4.23Å; F598-Y722 AromaticContact CZ-CD1 3.64Å; F598-Y722 HydrophobicContact CZ-CD1 3.64Å; F598-Y722 HydrophobicContact CZ-CE1 4.12Å; F598-Y722 HydrophobicContact CZ-CG 4.37Å
599	V	94.5	Very high	92.8	Very high	46 Å²	46	44.5 Å²	44.5	28%	0.279	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-38.8	174.9	175.3	0	0	0	0	111	E595 E596 Y601 I602 G603 L718	E595-V599 WeakPolarHBondContact O-CG2 3.42Å; E595-V599 PolarHBondContact O-N 2.75Å; E596-V599 PolarHBondContact O-N 3.47Å; V599-Y601 PolarHBondContact O-N 3.1Å; V599-I602 PolarHBondContact O-N 2.87Å; V599-G603 PolarHBondContact O-N 2.89Å; V599-L718 HydrophobicContact CG2-CB 4.29Å; V599-L718 HydrophobicContact CG2-CD1 3.79Å
600	T	93.8	Very high	93.1	Very high	80 Å²	80	45.2 Å²	45.2	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-42.9	176.5	-57.7	0	0	0	0	111.9	E596 Q597 F598 I602 G603 C604	E596-T600 PolarHBondContact O-N 3.43Å; E596-T600 PolarHBondContact O-OG1 3.36Å; Q597-T600 WeakPolarHBondContact O-CB 3.48Å; Q597-T600 PolarHBondContact O-N 2.89Å; F598-T600 VanDerWaalsContact C-N 3.26Å; F598-T600 PolarHBondContact O-N 2.67Å; T600-I602 VanDerWaalsContact C-N 3.31Å; T600-I602 PolarHBondContact O-N 3.45Å; T600-G603 PolarHBondContact O-N 3.13Å; T600-C604 PolarHBondContact O-N 2.94Å; T600-C604 PolarHBondContact O-SG 3.46Å
601	Y	94.7	Very high	93.5	Very high	53 Å²	53	47.9 Å²	47.9	21%	0.208	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-37.7	176	-62.5	-43.6	0	0	0	112.9	D514 L517 F564 Q597 F598 V599 C604 A605	D514-Y601 PolarHBondContact OD1-OH 2.92Å; L517-Y601 HydrophobicContact CD1-CD1 4.34Å; L517-Y601 HydrophobicContact CD1-CE1 4.02Å; L517-Y601 HydrophobicContact CD1-CE2 4.21Å; F564-Y601 HydrophobicContact CD1-CD1 4.27Å; F564-Y601 HydrophobicContact CD1-CG 4.49Å; F564-Y601 AromaticContact CE1-CD1 3.84Å; F564-Y601 HydrophobicContact CE1-CD1 3.84Å; F564-Y601 HydrophobicContact CE1-CE1 4.5Å; F564-Y601 HydrophobicContact CE1-CG 4.49Å; Q597-Y601 WeakPolarHBondContact O-CD2 3.39Å; Q597-Y601 PolarHBondContact O-N 2.65Å; F598-Y601 PolarHBondContact O-N 2.9Å; V599-Y601 PolarHBondContact O-N 3.1Å; Y601-C604 PolarHBondContact O-N 2.99Å; Y601-A605 WeakPolarHBondContact O-CB 3.2Å; Y601-A605 PolarHBondContact O-N 3.43Å
602	I	97	Very high	93.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-42.7	176.2	-62.8	166.2	0	0	0	110.6	T568 F598 V599 T600 C604 A605 F606 Y722 L935 V939 L942	T568-I602 HydrophobicContact CG2-CG1 3.82Å; F598-I602 HydrophobicContact CD1-CD1 3.83Å; F598-I602 HydrophobicContact CE1-CD1 3.38Å; F598-I602 HydrophobicContact CE1-CG1 4.44Å; F598-I602 HydrophobicContact CZ-CD1 3.85Å; F598-I602 PolarHBondContact O-N 2.65Å; V599-I602 PolarHBondContact O-N 2.87Å; T600-I602 VanDerWaalsContact C-N 3.31Å; T600-I602 PolarHBondContact O-N 3.45Å; I602-C604 VanDerWaalsContact C-N 3.35Å; I602-C604 PolarHBondContact O-N 3.48Å; I602-A605 WeakPolarHBondContact O-CB 3.13Å; I602-A605 PolarHBondContact O-N 3.35Å; I602-F606 PolarHBondContact O-N 2.84Å; I602-Y722 HydrophobicContact CD1-CD1 3.85Å; I602-Y722 HydrophobicContact CD1-CD2 3.5Å; I602-Y722 VanDerWaalsContact CD1-CD2 3.5Å; I602-Y722 HydrophobicContact CD1-CE1 4.02Å; I602-Y722 HydrophobicContact CD1-CE2 3.69Å; I602-Y722 HydrophobicContact CD1-CG 3.56Å; I602-Y722 HydrophobicContact CG1-CD2 4.3Å; I602-Y722 HydrophobicContact CG1-CE1 4.37Å; I602-Y722 HydrophobicContact CG1-CE2 3.98Å; I602-Y722 HydrophobicContact CG2-CD2 4.34Å; I602-Y722 HydrophobicContact CG2-CE2 3.86Å; I602-L935 HydrophobicContact CG2-CD2 4.34Å; I602-V939 HydrophobicContact CG2-CG2 4Å; I602-L942 HydrophobicContact CB-CD1 4.47Å; I602-L942 HydrophobicContact CD1-CD1 3.75Å; I602-L942 HydrophobicContact CG2-CD1 4.13Å
603	G	96.9	Very high	94.4	Very high	33 Å²	33	43.8 Å²	43.8	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-45.6	173.8	0	0	0	0	0	112.3	V599 T600 F606 A607	V599-G603 PolarHBondContact O-N 2.89Å; T600-G603 PolarHBondContact O-N 3.13Å; G603-F606 PolarHBondContact O-N 2.94Å; G603-A607 WeakPolarHBondContact O-CB 3.36Å; G603-A607 PolarHBondContact O-N 3.39Å
604	C	96.4	Very high	94.9	Very high	54 Å²	54	44.1 Å²	44.1	37%	0.365	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-44.4	173.7	-72.5	0	0	0	0	112.2	F564 T600 Y601 I602 F606 A607 L608	F564-C604 HydrophobicContact CD2-CB 4.43Å; F564-C604 HydrophobicContact CE2-CB 4.24Å; T600-C604 PolarHBondContact O-N 2.94Å; T600-C604 PolarHBondContact O-SG 3.46Å; Y601-C604 PolarHBondContact O-N 2.99Å; I602-C604 VanDerWaalsContact C-N 3.35Å; I602-C604 PolarHBondContact O-N 3.48Å; C604-F606 VanDerWaalsContact C-N 3.34Å; C604-F606 PolarHBondContact O-N 2.94Å; C604-A607 PolarHBondContact O-N 2.9Å; C604-L608 WeakPolarHBondContact O-CB 3.2Å; C604-L608 VanDerWaalsContact O-CG 3.28Å; C604-L608 WeakPolarHBondContact O-CG 3.37Å; C604-L608 PolarHBondContact O-N 2.9Å
605	A	97.8	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-48.2	176.5	0	0	0	0	0	111.2	F564 Y601 I602 K609 L935	F564-A605 HydrophobicContact CB-CB 3.58Å; Y601-A605 WeakPolarHBondContact O-CB 3.2Å; Y601-A605 PolarHBondContact O-N 3.43Å; I602-A605 WeakPolarHBondContact O-CB 3.13Å; I602-A605 PolarHBondContact O-N 3.35Å; A605-K609 WeakPolarHBondContact O-CB 3.3Å; A605-K609 PolarHBondContact O-N 3.44Å; A605-L935 HydrophobicContact CB-CD1 4.15Å; A605-L935 HydrophobicContact CB-CD2 3.88Å
606	F	98.2	Very high	95.4	Very high	47 Å²	47	44.8 Å²	44.8	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-50.1	179	171.9	-110.6	0	0	0	112.2	I602 G603 C604 L608 K609 A610 F932 L935 F936 V939	I602-F606 PolarHBondContact O-N 2.84Å; G603-F606 PolarHBondContact O-N 2.94Å; C604-F606 VanDerWaalsContact C-N 3.34Å; C604-F606 PolarHBondContact O-N 2.94Å; F606-L608 PolarHBondContact O-N 3.37Å; F606-K609 PolarHBondContact O-N 3.1Å; F606-A610 WeakPolarHBondContact O-CB 3.38Å; F606-A610 PolarHBondContact O-N 3.27Å; F606-F932 HydrophobicContact CD2-CE2 4.47Å; F606-F932 HydrophobicContact CE2-CD2 4.27Å; F606-F932 AromaticContact CE2-CE2 3.71Å; F606-F932 HydrophobicContact CE2-CE2 3.71Å; F606-F932 HydrophobicContact CE2-CZ 4.36Å; F606-F932 HydrophobicContact CZ-CE2 4.42Å; F606-L935 HydrophobicContact CB-CB 4.15Å; F606-L935 HydrophobicContact CD2-CB 4.01Å; F606-F936 HydrophobicContact CD2-CB 4.42Å; F606-F936 HydrophobicContact CE2-CB 3.87Å; F606-F936 AromaticContact CE2-CD2 3.73Å; F606-F936 HydrophobicContact CE2-CD2 3.73Å; F606-F936 HydrophobicContact CE2-CG 4.3Å; F606-F936 AromaticContact CZ-CD2 3.68Å; F606-F936 HydrophobicContact CZ-CD2 3.68Å; F606-F936 HydrophobicContact CZ-CE2 4.43Å; F606-V939 HydrophobicContact CB-CG2 3.76Å; F606-V939 HydrophobicContact CD1-CG2 4.34Å; F606-V939 HydrophobicContact CG-CG2 4.05Å
607	A	98	Very high	95.7	Very high	54 Å²	54	38.9 Å²	38.9	45%	0.446	22%	0.221	S	C	.	.	H	α-helix	trans	-58.8	-47.3	-178.5	0	0	0	0	0	111.7	G603 C604 A610 V611	G603-A607 WeakPolarHBondContact O-CB 3.36Å; G603-A607 PolarHBondContact O-N 3.39Å; C604-A607 PolarHBondContact O-N 2.9Å; A607-A610 PolarHBondContact O-N 3.42Å; A607-V611 WeakPolarHBondContact O-CG2 3.46Å; A607-V611 PolarHBondContact O-N 3.39Å
608	L	98	Very high	96	Very high	44 Å²	44	42.2 Å²	42.2	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-38	177.8	-67.3	173.4	0	0	0	112	S557 L560 A561 F564 C604 F606 V611 Q612	S557-L608 WeakPolarHBondContact O-CB 3.44Å; L560-L608 HydrophobicContact CB-CD1 4.28Å; L560-L608 HydrophobicContact CD2-CD1 3.76Å; L560-L608 HydrophobicContact CG-CD1 3.93Å; A561-L608 HydrophobicContact CB-CB 3.78Å; F564-L608 HydrophobicContact CD2-CD1 4.09Å; F564-L608 HydrophobicContact CE2-CD1 3.95Å; C604-L608 WeakPolarHBondContact O-CB 3.2Å; C604-L608 VanDerWaalsContact O-CG 3.28Å; C604-L608 WeakPolarHBondContact O-CG 3.37Å; C604-L608 PolarHBondContact O-N 2.9Å; F606-L608 PolarHBondContact O-N 3.37Å; L608-V611 PolarHBondContact O-N 2.76Å; L608-Q612 PolarHBondContact O-N 3.44Å
609	K	97.9	Very high	96	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-38.4	176.3	-163.9	67.9	175.1	178.1	0	112.1	A561 N562 A605 F606 V611 Q612 F613 I931 F932 L935	A561-K609 HydrophobicContact CB-CB 3.95Å; A561-K609 HydrophobicContact CB-CD 4.04Å; N562-K609 PolarHBondContact OD1-NZ 3.38Å; A605-K609 WeakPolarHBondContact O-CB 3.3Å; A605-K609 PolarHBondContact O-N 3.44Å; F606-K609 PolarHBondContact O-N 3.1Å; K609-V611 VanDerWaalsContact C-N 3.35Å; K609-Q612 PolarHBondContact O-N 3.28Å; K609-F613 WeakPolarHBondContact O-CB 3.2Å; K609-F613 PolarHBondContact O-N 3.35Å; K609-I931 HydrophobicContact CD-CG2 4.01Å; K609-I931 HydrophobicContact CG-CG2 4.22Å; K609-F932 HydrophobicContact CG-CB 4.22Å; K609-F932 HydrophobicContact CG-CD2 4.46Å; K609-L935 HydrophobicContact CB-CD1 3.82Å; K609-L935 HydrophobicContact CG-CD1 4.05Å
610	A	97.4	Very high	95.9	Very high	20 Å²	20	42.3 Å²	42.3	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-44.6	175.2	0	0	0	0	0	111	F606 A607 Q612 F613 L614 F932	F606-A610 WeakPolarHBondContact O-CB 3.38Å; F606-A610 PolarHBondContact O-N 3.27Å; A607-A610 PolarHBondContact O-N 3.42Å; A610-Q612 PolarHBondContact O-N 2.91Å; A610-F613 PolarHBondContact O-N 3.39Å; A610-L614 WeakPolarHBondContact O-CB 3.45Å; A610-L614 VanDerWaalsContact O-CG 3.29Å; A610-L614 WeakPolarHBondContact O-CG 3.35Å; A610-L614 PolarHBondContact O-N 3.41Å; A610-F932 HydrophobicContact CB-CE2 3.88Å
611	V	97.5	Very high	95.8	Very high	64 Å²	64	39.3 Å²	39.3	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-47.3	174.1	173.8	0	0	0	0	111.2	L554 A607 L608 K609 F613 L614 H615	L554-V611 HydrophobicContact CD2-CG1 3.59Å; A607-V611 WeakPolarHBondContact O-CG2 3.46Å; A607-V611 PolarHBondContact O-N 3.39Å; L608-V611 PolarHBondContact O-N 2.76Å; K609-V611 VanDerWaalsContact C-N 3.35Å; V611-F613 PolarHBondContact O-N 3.39Å; V611-L614 PolarHBondContact O-N 3.44Å; V611-H615 WeakPolarHBondContact O-CB 3.4Å; V611-H615 PolarHBondContact O-N 3.12Å
612	Q	96.3	Very high	95.7	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-45.4	176.8	-175.5	-171.7	38.5	0	0	111.8	L608 K609 A610 H615 K616	L608-Q612 PolarHBondContact O-N 3.44Å; K609-Q612 PolarHBondContact O-N 3.28Å; A610-Q612 PolarHBondContact O-N 2.91Å; Q612-H615 PolarHBondContact O-N 2.87Å; Q612-K616 WeakPolarHBondContact O-CB 3.27Å; Q612-K616 WeakPolarHBondContact O-CG 3.34Å; Q612-K616 PolarHBondContact O-N 2.94Å
613	F	96.3	Very high	95.5	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-45.9	-178.8	171.2	-118.8	0	0	0	111.6	K609 A610 V611 H615 K616 L617 L929 F932 F961	K609-F613 WeakPolarHBondContact O-CB 3.2Å; K609-F613 PolarHBondContact O-N 3.35Å; A610-F613 PolarHBondContact O-N 3.39Å; V611-F613 PolarHBondContact O-N 3.39Å; F613-H615 VanDerWaalsContact C-N 3.35Å; F613-H615 PolarHBondContact O-N 2.63Å; F613-K616 WeakPolarHBondContact O-CB 3.42Å; F613-K616 PolarHBondContact O-N 2.89Å; F613-L617 WeakPolarHBondContact O-CB 3.45Å; F613-L617 PolarHBondContact O-N 3.24Å; F613-L929 HydrophobicContact CD2-CD2 3.92Å; F613-L929 HydrophobicContact CE2-CD2 3.31Å; F613-L929 HydrophobicContact CZ-CD2 4.09Å; F613-F932 HydrophobicContact CB-CD2 4.36Å; F613-F932 HydrophobicContact CB-CG 4.46Å; F613-F932 AromaticContact CD1-CD1 4Å; F613-F932 HydrophobicContact CD1-CD1 4Å; F613-F932 HydrophobicContact CD1-CD2 4.39Å; F613-F932 AromaticContact CD1-CE1 3.83Å; F613-F932 HydrophobicContact CD1-CE1 3.83Å; F613-F932 HydrophobicContact CD1-CE2 4.27Å; F613-F932 HydrophobicContact CD1-CG 4.26Å; F613-F932 AromaticContact CD1-CZ 3.99Å; F613-F932 HydrophobicContact CD1-CZ 3.99Å; F613-F932 HydrophobicContact CE1-CD1 4.23Å; F613-F932 AromaticContact CE1-CE1 3.93Å; F613-F932 HydrophobicContact CE1-CE1 3.93Å; F613-F932 HydrophobicContact CE1-CZ 4.4Å; F613-F932 HydrophobicContact CG-CD1 4.41Å; F613-F932 HydrophobicContact CG-CG 4.36Å; F613-F961 HydrophobicContact CD1-CE1 4.44Å; F613-F961 HydrophobicContact CD1-CZ 4.43Å; F613-F961 HydrophobicContact CE1-CB 4.32Å; F613-F961 AromaticContact CE1-CD1 3.52Å; F613-F961 HydrophobicContact CE1-CD1 3.52Å; F613-F961 AromaticContact CE1-CD2 3.81Å; F613-F961 HydrophobicContact CE1-CD2 3.81Å; F613-F961 AromaticContact CE1-CE1 3.64Å; F613-F961 HydrophobicContact CE1-CE1 3.64Å; F613-F961 AromaticContact CE1-CE2 3.92Å; F613-F961 HydrophobicContact CE1-CE2 3.92Å; F613-F961 AromaticContact CE1-CG 3.61Å; F613-F961 HydrophobicContact CE1-CG 3.61Å; F613-F961 AromaticContact CE1-CZ 3.84Å; F613-F961 HydrophobicContact CE1-CZ 3.84Å; F613-F961 HydrophobicContact CZ-CB 4.09Å; F613-F961 AromaticContact CZ-CD1 3.92Å; F613-F961 HydrophobicContact CZ-CD1 3.92Å; F613-F961 HydrophobicContact CZ-CD2 4.38Å; F613-F961 HydrophobicContact CZ-CE1 4.46Å; F613-F961 AromaticContact CZ-CG 3.88Å; F613-F961 HydrophobicContact CZ-CG 3.88Å
614	L	95.8	Very high	95.2	Very high	93 Å²	93	39 Å²	39	49%	0.487	21%	0.21	S	C	.	.	H	α-helix	trans	-61.7	-42.4	176.2	-70.5	173.6	0	0	0	111.8	A610 V611 L617 Y618 F961	A610-L614 WeakPolarHBondContact O-CB 3.45Å; A610-L614 VanDerWaalsContact O-CG 3.29Å; A610-L614 WeakPolarHBondContact O-CG 3.35Å; A610-L614 PolarHBondContact O-N 3.41Å; V611-L614 PolarHBondContact O-N 3.44Å; L614-L617 PolarHBondContact O-N 3.14Å; L614-Y618 WeakPolarHBondContact O-CB 3.31Å; L614-Y618 PolarHBondContact O-N 2.93Å; L614-F961 HydrophobicContact CD2-CE1 4.04Å; L614-F961 HydrophobicContact CD2-CZ 4.48Å
615	H	95.1	Very high	95	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.3	171.4	-138.8	0	0	0	111.9	K551 L554 F555 V611 Q612 F613 Y618 M619	K551-H615 WeakPolarHBondContact CE-NE2 3.12Å; K551-H615 PolarHBondContact NZ-NE2 2.8Å; L554-H615 HydrophobicContact CD2-CB 4.39Å; F555-H615 AromaticContact CE1-CE1 3.84Å; V611-H615 WeakPolarHBondContact O-CB 3.4Å; V611-H615 PolarHBondContact O-N 3.12Å; Q612-H615 PolarHBondContact O-N 2.87Å; F613-H615 VanDerWaalsContact C-N 3.35Å; F613-H615 PolarHBondContact O-N 2.63Å; H615-Y618 PolarHBondContact O-N 2.99Å; H615-M619 WeakPolarHBondContact O-CG 3.41Å; H615-M619 PolarHBondContact O-N 3.39Å
616	K	93.4	Very high	94.7	Very high	76 Å²	76	37 Å²	37	33%	0.33	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-44	174.8	-81.7	-78.1	-169.5	157.4	0	112	Q612 F613 Y618 M619 Q620 N925	Q612-K616 WeakPolarHBondContact O-CB 3.27Å; Q612-K616 WeakPolarHBondContact O-CG 3.34Å; Q612-K616 PolarHBondContact O-N 2.94Å; F613-K616 WeakPolarHBondContact O-CB 3.42Å; F613-K616 PolarHBondContact O-N 2.89Å; K616-Y618 VanDerWaalsContact C-N 3.34Å; K616-Y618 PolarHBondContact O-N 3.38Å; K616-M619 PolarHBondContact O-N 3.48Å; K616-Q620 WeakPolarHBondContact O-CG 3.38Å; K616-Q620 PolarHBondContact O-N 3.5Å; K616-N925 PolarHBondContact NZ-OD1 3.43Å
617	L	94.6	Very high	94.6	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176.9	-179.3	62.1	0	0	0	110.8	F613 L614 M619 Q620 V621 F922 F961 I964 R965	F613-L617 WeakPolarHBondContact O-CB 3.45Å; F613-L617 PolarHBondContact O-N 3.24Å; L614-L617 PolarHBondContact O-N 3.14Å; L617-M619 PolarHBondContact O-N 3.29Å; L617-Q620 PolarHBondContact O-N 3.18Å; L617-V621 HydrophobicContact CD1-CG1 4.27Å; L617-V621 WeakPolarHBondContact O-CG2 3.23Å; L617-V621 PolarHBondContact O-N 3.44Å; L617-F922 HydrophobicContact CD1-CE1 4.2Å; L617-F922 HydrophobicContact CD1-CZ 4.34Å; L617-F961 HydrophobicContact CD2-CD1 4.02Å; L617-F961 HydrophobicContact CD2-CE1 4.39Å; L617-I964 HydrophobicContact CD2-CG2 4.2Å; L617-R965 HydrophobicContact CD1-CB 4Å; L617-R965 HydrophobicContact CD1-CG 4.34Å
618	Y	94.3	Very high	94.4	Very high	149 Å²	149	32.4 Å²	32.4	58%	0.584	17%	0.165	S	C	*	.	H	α-helix	trans	-57.5	-47.4	175.6	175.4	-99.8	0	0	0	112.3	L614 H615 K616 Q620 V621 S622	L614-Y618 WeakPolarHBondContact O-CB 3.31Å; L614-Y618 PolarHBondContact O-N 2.93Å; H615-Y618 PolarHBondContact O-N 2.99Å; K616-Y618 VanDerWaalsContact C-N 3.34Å; K616-Y618 PolarHBondContact O-N 3.38Å; Y618-Q620 VanDerWaalsContact C-N 3.33Å; Y618-Q620 PolarHBondContact O-N 2.94Å; Y618-V621 WeakPolarHBondContact O-CG2 3.36Å; Y618-V621 PolarHBondContact O-N 2.96Å; Y618-S622 WeakPolarHBondContact O-CB 2.9Å; Y618-S622 PolarHBondContact O-N 3.25Å; Y618-S622 PolarHBondContact O-OG 3.4Å
619	M	91.9	Very high	94.1	Very high	51 Å²	51	31.3 Å²	31.3	25%	0.251	16%	0.159	S	C	.	.	H	α-helix	trans	-62.1	-40.1	177.6	-67.5	-61.1	-57.7	0	0	111.9	K551 H615 K616 L617 S622 V623	K551-M619 PolarHBondContact NZ-SD 3.21Å; K551-M619 VanDerWaalsContact NZ-SD 3.37Å; H615-M619 WeakPolarHBondContact O-CG 3.41Å; H615-M619 PolarHBondContact O-N 3.39Å; K616-M619 PolarHBondContact O-N 3.48Å; L617-M619 PolarHBondContact O-N 3.29Å; M619-S622 PolarHBondContact O-N 3.47Å; M619-V623 WeakPolarHBondContact O-CG2 3.47Å
620	Q	92.6	Very high	93.8	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-69.8	-34.5	-179.8	-73.3	-176.7	-18.3	0	0	113.8	K616 L617 Y618 S622 V920 L921 N925 R965	K616-Q620 WeakPolarHBondContact O-CG 3.38Å; K616-Q620 PolarHBondContact O-N 3.5Å; L617-Q620 PolarHBondContact O-N 3.18Å; Y618-Q620 VanDerWaalsContact C-N 3.33Å; Y618-Q620 PolarHBondContact O-N 2.94Å; Q620-S622 VanDerWaalsContact C-N 3.3Å; Q620-V920 WeakPolarHBondContact CG-O 3.4Å; Q620-L921 PolarHBondContact NE2-O 2.85Å; Q620-N925 PolarHBondContact NE2-ND2 3.36Å; Q620-R965 PolarHBondContact O-NH2 3.24Å
621	V	92.9	Very high	93.5	Very high	17 Å²	17	32.3 Å²	32.3	10%	0.103	16%	0.16	C	C	.	.	H	α-helix	trans	-83.1	-7.6	178.1	-58.6	0	0	0	0	113.2	L617 Y618 L968 N972	L617-V621 HydrophobicContact CD1-CG1 4.27Å; L617-V621 WeakPolarHBondContact O-CG2 3.23Å; L617-V621 PolarHBondContact O-N 3.44Å; Y618-V621 WeakPolarHBondContact O-CG2 3.36Å; Y618-V621 PolarHBondContact O-N 2.96Å; V621-L968 HydrophobicContact CB-CB 4.09Å; V621-L968 HydrophobicContact CG1-CB 3.9Å; V621-L968 HydrophobicContact CG2-CD1 4.48Å; V621-N972 WeakPolarHBondContact O-CB 3.05Å; V621-N972 PolarHBondContact O-ND2 3.2Å; V621-N972 VanDerWaalsContact O-ND2 3.16Å
622	S	91.4	Very high	92.9	Very high	49 Å²	49	36.8 Å²	36.8	34%	0.343	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	7.7	-178	-52.4	0	0	0	0	113.8	Y618 M619 Q620	Y618-S622 WeakPolarHBondContact O-CB 2.9Å; Y618-S622 PolarHBondContact O-N 3.25Å; Y618-S622 PolarHBondContact O-OG 3.4Å; M619-S622 PolarHBondContact O-N 3.47Å; Q620-S622 VanDerWaalsContact C-N 3.3Å
623	V	92	Very high	92.1	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.055	19%	0.189	C	C	.	.			trans	-63.6	134.8	-179.8	171.1	0	0	0	0	111.1	M619 L768 F769 V920 N972	M619-V623 WeakPolarHBondContact O-CG2 3.47Å; V623-L768 HydrophobicContact CG1-CB 4.5Å; V623-L768 HydrophobicContact CG1-CD2 4.29Å; V623-F769 WeakPolarHBondContact CG1-O 3.46Å; V623-V920 HydrophobicContact CB-CG1 4.04Å; V623-V920 HydrophobicContact CG1-CG1 4.02Å; V623-V920 HydrophobicContact CG2-CG1 3.57Å; V623-V920 HydrophobicContact CG2-CG2 4.27Å; V623-N972 PolarHBondContact O-ND2 3.21Å
624	D	90.7	Very high	90.9	Very high	22 Å²	22	44.5 Å²	44.5	12%	0.118	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.7	169.4	-66.5	-41.4	0	0	0	108.8	L768 F769 R829 K976	D624-L768 CarbonylContact O-C 3.59Å; D624-L768 WeakPolarHBondContact O-CA 3.28Å; D624-F769 HydrophobicContact CB-CB 4.13Å; D624-F769 PolarHBondContact N-O 2.97Å; D624-F769 PolarHBondContact O-N 2.87Å; D624-R829 IonicContact OD2-CZ 3.36Å; D624-R829 IonicContact OD2-NH1 3.83Å; D624-R829 IonicContact OD2-NH2 2.59Å; D624-R829 PolarHBondContact OD2-NH2 3.36Å; D624-K976 VanDerWaalsContact OD1-CE 3.29Å; D624-K976 WeakPolarHBondContact OD1-CE 3.5Å; D624-K976 IonicContact OD1-NZ 3.84Å; D624-K976 PolarHBondContact OD1-NZ 2.85Å
625	I	92.4	Very high	89.2	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.2	177.1	179.4	168.3	0	0	0	109.5	W666 V766 L768 L973 K976 T977	I625-W666 HydrophobicContact CD1-CD2 3.93Å; I625-W666 HydrophobicContact CD1-CG 4.01Å; I625-W666 HydrophobicContact CD1-CZ2 4.18Å; I625-V766 HydrophobicContact CD1-CG1 4.02Å; I625-V766 HydrophobicContact CG1-CG1 4.08Å; I625-L768 HydrophobicContact CB-CD2 3.75Å; I625-L768 HydrophobicContact CD1-CD2 3.64Å; I625-L768 HydrophobicContact CG1-CD2 3.59Å; I625-L973 HydrophobicContact CD1-CD1 3.79Å; I625-L973 HydrophobicContact CG1-CD1 4.5Å; I625-L973 HydrophobicContact CG2-CD1 3.74Å; I625-K976 HydrophobicContact CG2-CB 3.88Å; I625-T977 HydrophobicContact CG1-CG2 4.3Å; I625-T977 HydrophobicContact CG2-CG2 3.92Å
626	F	93.1	Very high	87.3	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.5	174.8	-169.7	-93.3	0	0	0	110.3	I628 L767 Y864 M867 N868 L871	F626-I628 HydrophobicContact CD1-CG1 3.71Å; F626-I628 HydrophobicContact CE1-CG1 3.86Å; F626-L767 PolarHBondContact N-O 2.83Å; F626-L767 PolarHBondContact O-N 3.18Å; F626-Y864 AromaticContact CE2-CD2 3.82Å; F626-Y864 HydrophobicContact CE2-CD2 3.82Å; F626-Y864 AromaticContact CE2-CE2 3.73Å; F626-Y864 HydrophobicContact CE2-CE2 3.73Å; F626-Y864 HydrophobicContact CZ-CD2 4.12Å; F626-Y864 AromaticContact CZ-CE2 3.88Å; F626-Y864 HydrophobicContact CZ-CE2 3.88Å; F626-M867 HydrophobicContact CD1-CG 4.41Å; F626-M867 HydrophobicContact CD2-CG 3.95Å; F626-M867 HydrophobicContact CE1-CG 3.94Å; F626-M867 HydrophobicContact CE2-CB 3.88Å; F626-M867 HydrophobicContact CE2-CG 3.41Å; F626-M867 VanDerWaalsContact CE2-CG 3.41Å; F626-M867 HydrophobicContact CG-CG 4.42Å; F626-M867 HydrophobicContact CZ-CB 3.75Å; F626-M867 HydrophobicContact CZ-CG 3.4Å; F626-M867 VanDerWaalsContact CZ-CG 3.4Å; F626-N868 HydrophobicContact CZ-CB 4.38Å; F626-L871 HydrophobicContact CD1-CD1 3.3Å; F626-L871 HydrophobicContact CE1-CD1 3.58Å; F626-L871 HydrophobicContact CG-CD1 4Å; F626-L871 HydrophobicContact CZ-CD1 4.46Å
627	L	94.4	Very high	85	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	178.6	-57.9	177.8	0	0	0	108	T659 V662 A663 I764 V766 Y864 T977	L627-T659 HydrophobicContact CB-CG2 4.23Å; L627-T659 HydrophobicContact CD1-CG2 3.58Å; L627-V662 HydrophobicContact CD2-CG1 4.27Å; L627-A663 HydrophobicContact CD1-CB 4.06Å; L627-I764 HydrophobicContact CB-CG2 4.15Å; L627-I764 HydrophobicContact CD2-CG2 4.48Å; L627-V766 HydrophobicContact CD2-CB 4.36Å; L627-V766 HydrophobicContact CD2-CG1 4.04Å; L627-V766 HydrophobicContact CD2-CG2 3.79Å; L627-Y864 PolarHBondContact O-OH 3.07Å; L627-T977 HydrophobicContact CD1-CG2 4.01Å; L627-T977 HydrophobicContact CG-CG2 3.95Å
628	I	93.8	Very high	82.3	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.1	178.9	-57	170	0	0	0	107.4	F626 W630 I764 S765 Y777 N868 L871	F626-I628 HydrophobicContact CD1-CG1 3.71Å; F626-I628 HydrophobicContact CE1-CG1 3.86Å; I628-W630 HydrophobicContact CG2-CD2 4.36Å; I628-W630 HydrophobicContact CG2-CZ2 4.08Å; I628-I764 CarbonylContact O-C 3.52Å; I628-I764 VanDerWaalsContact O-CA 3.28Å; I628-I764 WeakPolarHBondContact O-CA 3.48Å; I628-S765 PolarHBondContact N-O 3.32Å; I628-S765 PolarHBondContact O-N 3.31Å; I628-Y777 HydrophobicContact CD1-CE2 4.09Å; I628-N868 VanDerWaalsContact CA-OD1 3.24Å; I628-N868 WeakPolarHBondContact CA-OD1 3.3Å; I628-N868 WeakPolarHBondContact CG2-OD1 3.23Å; I628-L871 HydrophobicContact CD1-CB 3.8Å; I628-L871 HydrophobicContact CD1-CD1 4.15Å; I628-L871 HydrophobicContact CG1-CB 4.17Å; I628-L871 HydrophobicContact CG1-CD1 4.09Å
629	D	92.6	Very high	79.8	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.112	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.3	177.6	-169.4	-0.7	0	0	0	109.9	E631 R658 N868	D629-E631 VanDerWaalsContact OD1-CB 3.32Å; D629-E631 WeakPolarHBondContact OD1-CB 2.88Å; D629-E631 PolarHBondContact OD1-N 3.17Å; D629-E631 VanDerWaalsContact OD1-N 3.1Å; D629-R658 VanDerWaalsContact CG-NH2 3.29Å; D629-R658 IonicContact OD1-CZ 3.26Å; D629-R658 VanDerWaalsContact OD1-CZ 3.32Å; D629-R658 IonicContact OD1-NH1 3.81Å; D629-R658 PolarHBondContact OD1-NH1 3.33Å; D629-R658 IonicContact OD1-NH2 2.7Å; D629-R658 PolarHBondContact OD1-NH2 2.87Å; D629-R658 IonicContact OD2-CZ 3.54Å; D629-R658 IonicContact OD2-NH1 3.24Å; D629-R658 IonicContact OD2-NH2 3.84Å; D629-R658 PolarHBondContact OD2-NH2 3.5Å; D629-N868 PolarHBondContact N-OD1 3.47Å; D629-N868 PolarHBondContact O-ND2 2.91Å
630	W	92.1	Very high	77.5	Confident	25 Å²	25	68.3 Å²	68.3	10%	0.095	35%	0.348	C	S	.	.			trans	-88.9	-5	-177.9	-65.8	101.9	0	0	0	113.4	I628 N763 S765 R781 I875	I628-W630 HydrophobicContact CG2-CD2 4.36Å; I628-W630 HydrophobicContact CG2-CZ2 4.08Å; W630-N763 WeakPolarHBondContact CB-OD1 3.35Å; W630-N763 PolarHBondContact N-O 3.46Å; W630-S765 PolarHBondContact NE1-OG 3.42Å; W630-R781 HydrophobicContact CB-CG 4.41Å; W630-R781 HydrophobicContact CD2-CB 4.28Å; W630-R781 HydrophobicContact CD2-CG 4.09Å; W630-R781 HydrophobicContact CE3-CG 4.48Å; W630-R781 HydrophobicContact CG-CB 4.18Å; W630-R781 HydrophobicContact CG-CG 4.04Å; W630-I875 HydrophobicContact CH2-CB 3.88Å; W630-I875 HydrophobicContact CH2-CG2 3.79Å; W630-I875 HydrophobicContact CZ2-CB 4.29Å; W630-I875 HydrophobicContact CZ2-CG2 4.02Å
631	E	90.1	Very high	75	Confident	18 Å²	18	74.4 Å²	74.4	8%	0.084	39%	0.386	C	S	.	.			trans	-69.7	134.5	-176.8	-166	68.3	-141.8	0	0	111.5	D629 V654 R658 N763 H786 A787	D629-E631 VanDerWaalsContact OD1-CB 3.32Å; D629-E631 WeakPolarHBondContact OD1-CB 2.88Å; D629-E631 PolarHBondContact OD1-N 3.17Å; D629-E631 VanDerWaalsContact OD1-N 3.1Å; E631-V654 HydrophobicContact CB-CG1 3.72Å; E631-V654 HydrophobicContact CG-CG1 3.77Å; E631-V654 HydrophobicContact CG-CG2 4.49Å; E631-R658 VanDerWaalsContact CB-CZ 3.48Å; E631-R658 IonicContact OE2-CZ 4Å; E631-R658 IonicContact OE2-NH1 3.41Å; E631-N763 PolarHBondContact OE2-ND2 3.38Å; E631-H786 IonicContact OE1-CE1 2.78Å; E631-H786 IonicContact OE1-CG 2.91Å; E631-H786 IonicContact OE1-ND1 3.62Å; E631-H786 PolarHBondContact OE1-ND1 2.98Å; E631-H786 WeakPolarHBondContact OE2-CA 3.33Å; E631-A787 PolarHBondContact OE2-N 3.25Å
632	R	84.5	Confident	72.6	Confident	157 Å²	157	82.9 Å²	82.9	59%	0.592	42%	0.424	S	S	*	.			trans	-106.8	141.5	-178.8	-63.2	-178.4	-178.7	-174.7	-1.8	110.2	R634	R632-R634 PolarHBondContact O-N 3.42Å
633	P	80.3	Confident	70.1	Confident	73 Å²	73	85.3 Å²	85.3	47%	0.474	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-63.1	130.1	177.7	26.8	-33.6	0	0	0	110.1	S635 P651 S652 V654	P633-S635 PolarHBondContact O-N 3.34Å; P633-P651 HydrophobicContact CB-CB 4.19Å; P633-S652 VanDerWaalsContact CB-O 3.29Å; P633-S652 WeakPolarHBondContact CB-O 3.41Å; P633-V654 HydrophobicContact CB-CG2 4.18Å
634	R	71.9	Confident	67.7	Low	112 Å²	112	94.8 Å²	94.8	42%	0.423	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-71.9	117.4	-178.8	-67.1	-171.2	-178.2	-156.6	2.9	109.8	R632 S652 D788	R632-R634 PolarHBondContact O-N 3.42Å; R634-S652 PolarHBondContact O-N 3.41Å; R634-S652 PolarHBondContact O-OG 2.9Å; R634-D788 PolarHBondContact NH2-O 2.93Å
635	S	60.3	Low	65.4	Low	101 Å²	101	97.1 Å²	97.1	71%	0.706	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-76.2	121.3	160.1	177.4	0	0	0	0	107.6	P633 G637	P633-S635 PolarHBondContact O-N 3.34Å; S635-G637 VanDerWaalsContact C-N 3.28Å; S635-G637 PolarHBondContact O-N 2.82Å
636	K	53.3	Low	63.3	Low	205 Å²	205	105 Å²	105	89%	0.891	56%	0.562	S	S	*	*			trans	-68.4	92.4	168.8	-86.8	-173.9	176.3	177.7	0	108.2
637	G	45	Very low	60.9	Low	56 Å²	56	109.4 Å²	109.4	58%	0.577	59%	0.593	S	S	*	*			trans	-121.9	114.5	172.7	0	0	0	0	0	111.4	S635	S635-G637 VanDerWaalsContact C-N 3.28Å; S635-G637 PolarHBondContact O-N 2.82Å
638	N	39.7	Very low	58.6	Low	158 Å²	158	119.1 Å²	119.1	85%	0.845	64%	0.636	S	S	*	*			trans	84.5	72.3	164.5	-59.5	-7	0	0	0	119
639	R	40.3	Very low	56.6	Low	253 Å²	253	129.5 Å²	129.5	96%	0.955	68%	0.675	S	S	*	*				-103.3	114.1	125.5	-89.3	-176.5	169.4	166.1	-2.5	107.4	V641	R639-V641 PolarHBondContact O-N 2.97Å
640	T	43.5	Very low	54.7	Low	129 Å²	129	135.6 Å²	135.6	79%	0.791	71%	0.707	S	S	*	*			trans	-53.1	121.5	174.3	44.5	0	0	0	0	111.3
641	V	41.2	Very low	53.3	Low	142 Å²	142	137.8 Å²	137.8	86%	0.861	72%	0.724	S	S	*	*				-168.1	130.6	126	171.6	0	0	0	0	106.9	R639	R639-V641 PolarHBondContact O-N 2.97Å
642	Q	42.8	Very low	52.2	Low	194 Å²	194	139.7 Å²	139.7	91%	0.907	74%	0.74	S	S	*	*			trans	-58	133.2	176.2	-75.4	169.3	-20.7	0	0	112.4
643	A	37.5	Very low	51.7	Low	100 Å²	100	138 Å²	138	83%	0.826	75%	0.75	S	S	*	*			trans	-160.6	134.4	143.2	0	0	0	0	0	109.6
644	H	42.5	Very low	51.8	Low	209 Å²	209	137.1 Å²	137.1	97%	0.968	74%	0.743	S	S	*	*			trans	-50.7	143.7	179.8	-94	-0.9	0	0	0	114.8
645	G	42.4	Very low	52.4	Low	71 Å²	71	133.7 Å²	133.7	73%	0.732	74%	0.736	S	S	*	*			trans	140	92.3	164.7	0	0	0	0	0	112.2	S647	G645-S647 PolarHBondContact O-N 3.32Å; G645-S647 VanDerWaalsContact O-N 3.11Å
646	D	47.3	Very low	53.7	Low	170 Å²	170	132.7 Å²	132.7	91%	0.909	72%	0.722	S	S	*	*			trans	-59.1	111.7	175.4	-86.6	-42.1	0	0	0	111.4
647	S	43.6	Very low	55.3	Low	98 Å²	98	130.8 Å²	130.8	69%	0.685	71%	0.709	S	S	*	*			trans	-138	103.4	153.7	-66.5	0	0	0	0	105.4	G645 R649	G645-S647 PolarHBondContact O-N 3.32Å; G645-S647 VanDerWaalsContact O-N 3.11Å; S647-R649 VanDerWaalsContact C-N 3.25Å; S647-R649 PolarHBondContact O-N 3.42Å
648	K	45.5	Very low	57.5	Low	208 Å²	208	128.9 Å²	128.9	90%	0.904	68%	0.684	S	S	*	*			trans	-55.1	97	165.9	-79.6	-178.3	177.3	177.5	0	106.6	D650	K648-D650 PolarHBondContact O-N 3.13Å
649	R	52.1	Low	59.9	Low	220 Å²	220	121.7 Å²	121.7	83%	0.83	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-70.8	119.9	173.3	-75	179.8	176.2	171.2	-1.4	106.5	S647	S647-R649 VanDerWaalsContact C-N 3.25Å; S647-R649 PolarHBondContact O-N 3.42Å
650	D	52.6	Low	62.4	Low	148 Å²	148	111.4 Å²	111.4	79%	0.791	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-53	137.6	175.2	-72.5	-40.1	0	0	0	109.9	K648	K648-D650 PolarHBondContact O-N 3.13Å
651	P	62.2	Low	64.7	Low	71 Å²	71	110.3 Å²	110.3	46%	0.461	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-62.2	143	-179.4	28.8	-35.4	0	0	0	109.8	P633	P633-P651 HydrophobicContact CB-CB 4.19Å
652	S	67.1	Low	67.2	Low	59 Å²	59	103.5 Å²	103.5	41%	0.413	55%	0.551	S	S	.	*	B	Isolated β-bridge	trans	-63	132.4	-178	56.4	0	0	0	0	110.3	P633 R634	P633-S652 VanDerWaalsContact CB-O 3.29Å; P633-S652 WeakPolarHBondContact CB-O 3.41Å; R634-S652 PolarHBondContact O-N 3.41Å; R634-S652 PolarHBondContact O-OG 2.9Å
653	P	75.3	Confident	69.6	Low	122 Å²	122	94.3 Å²	94.3	79%	0.792	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.5	151.6	-178.1	27.3	-34.6	0	0	0	111.6
654	V	82.1	Confident	72.3	Confident	54 Å²	54	90.6 Å²	90.6	33%	0.327	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-73.5	138.9	177.6	176.1	0	0	0	0	110.1	E631 P633	E631-V654 HydrophobicContact CB-CG1 3.72Å; E631-V654 HydrophobicContact CG-CG1 3.77Å; E631-V654 HydrophobicContact CG-CG2 4.49Å; P633-V654 HydrophobicContact CB-CG2 4.18Å
655	S	84.6	Confident	74.7	Confident	40 Å²	40	82.7 Å²	82.7	28%	0.28	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-75.4	134.5	177.6	177.8	0	0	0	0	111.7	W657 R658 D788	S655-W657 PolarHBondContact OG-N 3.04Å; S655-R658 PolarHBondContact O-NH2 3.33Å; S655-D788 WeakPolarHBondContact CB-OD2 3.49Å
656	I	86.6	Confident	77.2	Confident	80 Å²	80	79.7 Å²	79.7	41%	0.41	40%	0.404	S	S	.	.	S	Bend	trans	-83.4	-13.4	177.1	-167.2	162.2	0	0	0	113.7	R658 T659 Y660	I656-R658 VanDerWaalsContact C-N 3.27Å; I656-R658 PolarHBondContact O-N 2.91Å; I656-T659 WeakPolarHBondContact O-CB 3.36Å; I656-T659 PolarHBondContact O-N 3.28Å; I656-Y660 HydrophobicContact CD1-CE1 3.88Å; I656-Y660 HydrophobicContact CD1-CE2 4.45Å; I656-Y660 HydrophobicContact CG1-CD1 4.34Å; I656-Y660 HydrophobicContact CG1-CE1 3.99Å; I656-Y660 HydrophobicContact CG1-CE2 4.28Å; I656-Y660 HydrophobicContact CG2-CD2 4.24Å; I656-Y660 HydrophobicContact CG2-CE2 3.78Å; I656-Y660 PolarHBondContact O-N 3.31Å; I656-Y660 VanDerWaalsContact O-N 3.17Å
657	W	88	Confident	79.4	Confident	164 Å²	164	71.7 Å²	71.7	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-60.8	-32.9	-170.7	-73.1	111.2	0	0	0	113.8	S655 T659 Y660 F661 F983	S655-W657 PolarHBondContact OG-N 3.04Å; W657-T659 VanDerWaalsContact C-N 3.34Å; W657-T659 PolarHBondContact O-N 3.49Å; W657-Y660 AromaticContact CE3-CD2 3.86Å; W657-Y660 HydrophobicContact CE3-CD2 3.86Å; W657-Y660 HydrophobicContact CZ3-CD2 4.07Å; W657-Y660 PolarHBondContact O-N 3.41Å; W657-F661 WeakPolarHBondContact O-CB 3.26Å; W657-F661 PolarHBondContact O-N 3.39Å; W657-F983 AromaticContact CH2-CE1 3.99Å; W657-F983 HydrophobicContact CH2-CE1 3.99Å; W657-F983 HydrophobicContact CZ3-CD1 4.26Å; W657-F983 HydrophobicContact CZ3-CE1 4.06Å
658	R	91	Very high	81.7	Confident	17 Å²	17	71.4 Å²	71.4	6%	0.064	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-44	174.8	-65.1	178.9	-66.2	102.1	15.9	111.1	D629 E631 S655 I656 F661 V662 S762 I764 D788	D629-R658 VanDerWaalsContact CG-NH2 3.29Å; D629-R658 IonicContact OD1-CZ 3.26Å; D629-R658 VanDerWaalsContact OD1-CZ 3.32Å; D629-R658 IonicContact OD1-NH1 3.81Å; D629-R658 PolarHBondContact OD1-NH1 3.33Å; D629-R658 IonicContact OD1-NH2 2.7Å; D629-R658 PolarHBondContact OD1-NH2 2.87Å; D629-R658 IonicContact OD2-CZ 3.54Å; D629-R658 IonicContact OD2-NH1 3.24Å; D629-R658 IonicContact OD2-NH2 3.84Å; D629-R658 PolarHBondContact OD2-NH2 3.5Å; E631-R658 VanDerWaalsContact CB-CZ 3.48Å; E631-R658 IonicContact OE2-CZ 4Å; E631-R658 IonicContact OE2-NH1 3.41Å; S655-R658 PolarHBondContact O-NH2 3.33Å; I656-R658 VanDerWaalsContact C-N 3.27Å; I656-R658 PolarHBondContact O-N 2.91Å; R658-F661 WeakPolarHBondContact O-CB 3.32Å; R658-F661 PolarHBondContact O-N 3.48Å; R658-V662 WeakPolarHBondContact O-CG2 3.46Å; R658-V662 PolarHBondContact O-N 2.94Å; R658-S762 WeakPolarHBondContact CD-O 3.47Å; R658-S762 PolarHBondContact NH1-O 2.81Å; R658-I764 HydrophobicContact CB-CD1 3.66Å; R658-D788 WeakPolarHBondContact CD-OD1 3.46Å; R658-D788 WeakPolarHBondContact CG-OD1 3.47Å; R658-D788 IonicContact CZ-OD2 2.65Å; R658-D788 VanDerWaalsContact NE-CG 3.26Å; R658-D788 IonicContact NE-OD1 2.75Å; R658-D788 PolarHBondContact NE-OD1 3.36Å; R658-D788 IonicContact NE-OD2 2.67Å; R658-D788 PolarHBondContact NE-OD2 2.92Å; R658-D788 IonicContact NH2-OD2 2.91Å
659	T	90.7	Very high	83.9	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-42.1	177.1	-52.6	0	0	0	0	111.7	L627 I656 W657 F661 A663 I764 V979	L627-T659 HydrophobicContact CB-CG2 4.23Å; L627-T659 HydrophobicContact CD1-CG2 3.58Å; I656-T659 WeakPolarHBondContact O-CB 3.36Å; I656-T659 PolarHBondContact O-N 3.28Å; W657-T659 VanDerWaalsContact C-N 3.34Å; W657-T659 PolarHBondContact O-N 3.49Å; T659-F661 VanDerWaalsContact C-N 3.34Å; T659-F661 PolarHBondContact O-N 2.84Å; T659-A663 VanDerWaalsContact O-CB 3.23Å; T659-A663 WeakPolarHBondContact O-CB 3.44Å; T659-A663 PolarHBondContact O-N 3.22Å; T659-I764 VanDerWaalsContact CA-CD1 3.49Å; T659-I764 VanDerWaalsContact N-CD1 3.3Å; T659-V979 HydrophobicContact CG2-CG2 4.3Å
660	Y	91.7	Very high	85.8	Confident	38 Å²	38	51.6 Å²	51.6	15%	0.149	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-39.9	173	-68.1	-21.2	0	0	0	112.6	I656 W657 A663 N664 V979 F983	I656-Y660 HydrophobicContact CD1-CE1 3.88Å; I656-Y660 HydrophobicContact CD1-CE2 4.45Å; I656-Y660 HydrophobicContact CG1-CD1 4.34Å; I656-Y660 HydrophobicContact CG1-CE1 3.99Å; I656-Y660 HydrophobicContact CG1-CE2 4.28Å; I656-Y660 HydrophobicContact CG2-CD2 4.24Å; I656-Y660 HydrophobicContact CG2-CE2 3.78Å; I656-Y660 PolarHBondContact O-N 3.31Å; I656-Y660 VanDerWaalsContact O-N 3.17Å; W657-Y660 AromaticContact CE3-CD2 3.86Å; W657-Y660 HydrophobicContact CE3-CD2 3.86Å; W657-Y660 HydrophobicContact CZ3-CD2 4.07Å; W657-Y660 PolarHBondContact O-N 3.41Å; Y660-A663 PolarHBondContact O-N 3.07Å; Y660-N664 VanDerWaalsContact O-CB 3.23Å; Y660-N664 WeakPolarHBondContact O-CB 2.98Å; Y660-N664 PolarHBondContact O-N 2.91Å; Y660-V979 HydrophobicContact CD1-CB 4.18Å; Y660-V979 HydrophobicContact CD1-CG1 3.48Å; Y660-V979 VanDerWaalsContact CD1-CG1 3.48Å; Y660-V979 HydrophobicContact CD1-CG2 3.83Å; Y660-V979 HydrophobicContact CE1-CB 4.1Å; Y660-V979 HydrophobicContact CE1-CG1 3.62Å; Y660-V979 HydrophobicContact CE1-CG2 3.96Å; Y660-F983 HydrophobicContact CD1-CB 4.44Å; Y660-F983 HydrophobicContact CD2-CB 4.44Å; Y660-F983 HydrophobicContact CD2-CD1 4.14Å; Y660-F983 HydrophobicContact CD2-CD2 4.33Å; Y660-F983 HydrophobicContact CD2-CG 4.06Å; Y660-F983 HydrophobicContact CE1-CD2 4.27Å; Y660-F983 HydrophobicContact CE2-CD1 4.21Å; Y660-F983 AromaticContact CE2-CD2 3.81Å; Y660-F983 HydrophobicContact CE2-CD2 3.81Å; Y660-F983 HydrophobicContact CE2-CE1 4.27Å; Y660-F983 AromaticContact CE2-CE2 3.89Å; Y660-F983 HydrophobicContact CE2-CE2 3.89Å; Y660-F983 AromaticContact CE2-CG 3.99Å; Y660-F983 HydrophobicContact CE2-CG 3.99Å; Y660-F983 HydrophobicContact CE2-CZ 4.12Å; Y660-F983 HydrophobicContact CG-CB 4.3Å; Y660-F983 HydrophobicContact CG-CG 4.39Å; Y660-F983 AromaticContact CZ-CD2 3.76Å; Y660-F983 AromaticContact CZ-CE2 3.99Å
661	F	91.4	Very high	87.7	Confident	105 Å²	105	45.4 Å²	45.4	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-48.7	178.8	-168.3	-98.4	0	0	0	111.9	W657 R658 T659 N664 E665 L758	W657-F661 WeakPolarHBondContact O-CB 3.26Å; W657-F661 PolarHBondContact O-N 3.39Å; R658-F661 WeakPolarHBondContact O-CB 3.32Å; R658-F661 PolarHBondContact O-N 3.48Å; T659-F661 VanDerWaalsContact C-N 3.34Å; T659-F661 PolarHBondContact O-N 2.84Å; F661-N664 PolarHBondContact O-N 2.97Å; F661-E665 HydrophobicContact CE1-CG 4.23Å; F661-E665 HydrophobicContact CZ-CG 4.43Å; F661-E665 PolarHBondContact O-N 2.9Å; F661-L758 HydrophobicContact CD1-CD1 3.65Å; F661-L758 HydrophobicContact CD1-CD2 3.73Å; F661-L758 HydrophobicContact CD1-CG 4.15Å; F661-L758 HydrophobicContact CE1-CD1 3.34Å; F661-L758 HydrophobicContact CE1-CD2 3.47Å; F661-L758 VanDerWaalsContact CE1-CD2 3.47Å; F661-L758 HydrophobicContact CE1-CG 3.99Å
662	V	94.2	Very high	89.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176.6	174.6	0	0	0	0	111.2	L627 R658 N664 E665 W666 F755 L758 I764 V766	L627-V662 HydrophobicContact CD2-CG1 4.27Å; R658-V662 WeakPolarHBondContact O-CG2 3.46Å; R658-V662 PolarHBondContact O-N 2.94Å; V662-N664 VanDerWaalsContact C-N 3.33Å; V662-N664 PolarHBondContact O-N 3.45Å; V662-E665 PolarHBondContact O-N 3.31Å; V662-W666 PolarHBondContact O-N 3.25Å; V662-F755 HydrophobicContact CG1-CE2 4.08Å; V662-F755 HydrophobicContact CG1-CZ 4.01Å; V662-L758 HydrophobicContact CG2-CG 4.5Å; V662-I764 HydrophobicContact CG1-CG2 4.37Å; V662-I764 HydrophobicContact CG2-CB 4.32Å; V662-I764 HydrophobicContact CG2-CD1 4.01Å; V662-V766 HydrophobicContact CG1-CG2 4.27Å
663	A	94.1	Very high	90.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-39.1	177.1	0	0	0	0	0	112.2	L627 T659 Y660 W666 N667 L973 V979 L984	L627-A663 HydrophobicContact CD1-CB 4.06Å; T659-A663 VanDerWaalsContact O-CB 3.23Å; T659-A663 WeakPolarHBondContact O-CB 3.44Å; T659-A663 PolarHBondContact O-N 3.22Å; Y660-A663 PolarHBondContact O-N 3.07Å; A663-W666 PolarHBondContact O-N 3.33Å; A663-N667 PolarHBondContact O-N 3.39Å; A663-L973 WeakPolarHBondContact O-CD2 3.1Å; A663-V979 HydrophobicContact CB-CG1 4.45Å; A663-V979 HydrophobicContact CB-CG2 4.14Å; A663-L984 HydrophobicContact CB-CD2 3.84Å
664	N	93.5	Very high	91	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-67.1	-43	178	-167	33.9	0	0	0	112.1	Y660 F661 V662 W666 N667 K668 I985	Y660-N664 VanDerWaalsContact O-CB 3.23Å; Y660-N664 WeakPolarHBondContact O-CB 2.98Å; Y660-N664 PolarHBondContact O-N 2.91Å; F661-N664 PolarHBondContact O-N 2.97Å; V662-N664 VanDerWaalsContact C-N 3.33Å; V662-N664 PolarHBondContact O-N 3.45Å; N664-W666 VanDerWaalsContact C-N 3.35Å; N664-N667 WeakPolarHBondContact O-CB 3.24Å; N664-N667 PolarHBondContact O-N 3.46Å; N664-K668 WeakPolarHBondContact O-CG 3.32Å; N664-K668 PolarHBondContact O-N 3.41Å; N664-K668 VanDerWaalsContact O-N 3.13Å; N664-I985 PolarHBondContact OD1-N 3.45Å; N664-I985 PolarHBondContact OD1-O 2.85Å
665	E	93.3	Very high	91.4	Very high	43 Å²	43	38.6 Å²	38.6	20%	0.201	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-38.4	174.8	-71.9	-56.8	128.4	0	0	111.8	F661 V662 N667 K668 L669 F755 L758	F661-E665 HydrophobicContact CE1-CG 4.23Å; F661-E665 HydrophobicContact CZ-CG 4.43Å; F661-E665 PolarHBondContact O-N 2.9Å; V662-E665 PolarHBondContact O-N 3.31Å; E665-N667 VanDerWaalsContact C-N 3.33Å; E665-N667 PolarHBondContact O-N 3.01Å; E665-K668 PolarHBondContact O-N 3.17Å; E665-K668 IonicContact OE1-NZ 3.89Å; E665-K668 PolarHBondContact OE1-NZ 3.11Å; E665-L669 WeakPolarHBondContact O-CG 3.38Å; E665-L669 PolarHBondContact O-N 3.21Å; E665-L669 VanDerWaalsContact O-N 3.13Å; E665-F755 HydrophobicContact CB-CD2 4.1Å; E665-F755 HydrophobicContact CB-CE2 4.25Å; E665-L758 HydrophobicContact CB-CD2 3.86Å; E665-L758 HydrophobicContact CG-CD2 3.61Å
666	W	93.7	Very high	91.9	Very high	9 Å²	9	38.3 Å²	38.3	3%	0.034	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-43.4	171.6	-179.3	-97.2	0	0	0	112.1	I625 V662 A663 N664 K668 L669 Q670 F755 L768 F917 V920 L921	I625-W666 HydrophobicContact CD1-CD2 3.93Å; I625-W666 HydrophobicContact CD1-CG 4.01Å; I625-W666 HydrophobicContact CD1-CZ2 4.18Å; V662-W666 PolarHBondContact O-N 3.25Å; A663-W666 PolarHBondContact O-N 3.33Å; N664-W666 VanDerWaalsContact C-N 3.35Å; W666-K668 VanDerWaalsContact C-N 3.29Å; W666-K668 PolarHBondContact O-N 2.87Å; W666-L669 PolarHBondContact O-N 3.1Å; W666-L669 VanDerWaalsContact O-N 3.17Å; W666-Q670 VanDerWaalsContact O-CG 3.3Å; W666-Q670 WeakPolarHBondContact O-CG 3.21Å; W666-Q670 PolarHBondContact O-N 3.22Å; W666-F755 HydrophobicContact CB-CE2 4Å; W666-F755 HydrophobicContact CB-CZ 4.02Å; W666-F755 HydrophobicContact CD2-CZ 4.38Å; W666-F755 HydrophobicContact CE3-CD1 4.33Å; W666-F755 AromaticContact CE3-CE1 3.55Å; W666-F755 HydrophobicContact CE3-CE1 3.55Å; W666-F755 HydrophobicContact CE3-CE2 4.35Å; W666-F755 AromaticContact CE3-CZ 3.57Å; W666-F755 HydrophobicContact CE3-CZ 3.57Å; W666-F755 AromaticContact CZ3-CE1 3.97Å; W666-F755 HydrophobicContact CZ3-CE1 3.97Å; W666-F755 HydrophobicContact CZ3-CZ 4.42Å; W666-L768 HydrophobicContact CH2-CD1 3.46Å; W666-L768 VanDerWaalsContact CH2-CD1 3.46Å; W666-L768 HydrophobicContact CH2-CD2 3.73Å; W666-L768 HydrophobicContact CH2-CG 4.25Å; W666-L768 HydrophobicContact CZ2-CD1 4.22Å; W666-L768 HydrophobicContact CZ2-CD2 3.62Å; W666-L768 HydrophobicContact CZ3-CD1 4.02Å; W666-F917 HydrophobicContact CH2-CD2 4.19Å; W666-F917 AromaticContact CZ3-CD2 3.91Å; W666-F917 HydrophobicContact CZ3-CD2 3.91Å; W666-F917 AromaticContact CZ3-CE2 3.96Å; W666-F917 HydrophobicContact CZ3-CE2 3.96Å; W666-V920 HydrophobicContact CZ2-CG1 4.3Å; W666-L921 HydrophobicContact CH2-CD2 4.1Å; W666-L921 HydrophobicContact CZ2-CD2 3.98Å
667	N	93.4	Very high	92.2	Very high	2 Å²	2	36 Å²	36	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-43.7	177.2	-170.2	57.7	0	0	0	111.6	A663 N664 E665 L669 Q670 R970 L973 I985	A663-N667 PolarHBondContact O-N 3.39Å; N664-N667 WeakPolarHBondContact O-CB 3.24Å; N664-N667 PolarHBondContact O-N 3.46Å; E665-N667 VanDerWaalsContact C-N 3.33Å; E665-N667 PolarHBondContact O-N 3.01Å; N667-L669 PolarHBondContact O-N 2.7Å; N667-Q670 PolarHBondContact O-N 2.68Å; N667-R970 WeakPolarHBondContact OD1-CB 3.45Å; N667-L973 HydrophobicContact CB-CD2 3.91Å; N667-I985 PolarHBondContact ND2-O 2.54Å
668	K	91.8	Very high	92.5	Very high	92 Å²	92	31.4 Å²	31.4	40%	0.4	15%	0.154	S	C	.	.	H	α-helix	trans	-63.6	-38.9	177.3	-67.3	172.3	-168.9	169.2	0	112.6	N664 E665 W666 Q670 I672	N664-K668 WeakPolarHBondContact O-CG 3.32Å; N664-K668 PolarHBondContact O-N 3.41Å; N664-K668 VanDerWaalsContact O-N 3.13Å; E665-K668 PolarHBondContact O-N 3.17Å; E665-K668 IonicContact OE1-NZ 3.89Å; E665-K668 PolarHBondContact OE1-NZ 3.11Å; W666-K668 VanDerWaalsContact C-N 3.29Å; W666-K668 PolarHBondContact O-N 2.87Å; K668-Q670 VanDerWaalsContact C-N 3.27Å; K668-Q670 PolarHBondContact O-N 3.27Å; K668-I672 WeakPolarHBondContact O-CG1 3.35Å
669	L	92.3	Very high	92.8	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-25.3	-178.5	-70.6	173.7	0	0	0	113.9	E665 W666 N667 T671 I672 K751 F755 L921	E665-L669 WeakPolarHBondContact O-CG 3.38Å; E665-L669 PolarHBondContact O-N 3.21Å; E665-L669 VanDerWaalsContact O-N 3.13Å; W666-L669 PolarHBondContact O-N 3.1Å; W666-L669 VanDerWaalsContact O-N 3.17Å; N667-L669 PolarHBondContact O-N 2.7Å; L669-T671 PolarHBondContact O-N 3.38Å; L669-T671 VanDerWaalsContact O-N 3.1Å; L669-I672 HydrophobicContact CD2-CD1 3.82Å; L669-I672 PolarHBondContact O-N 2.94Å; L669-K751 HydrophobicContact CD2-CB 4.1Å; L669-F755 HydrophobicContact CD1-CB 3.63Å; L669-F755 HydrophobicContact CD1-CD1 4.03Å; L669-F755 HydrophobicContact CD1-CD2 3.57Å; L669-F755 HydrophobicContact CD1-CE2 4.27Å; L669-F755 HydrophobicContact CD1-CG 3.44Å; L669-F755 VanDerWaalsContact CD1-CG 3.44Å; L669-L921 HydrophobicContact CB-CD1 4.1Å
670	Q	91.6	Very high	93	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.2	-170.7	-60.4	-168.2	5	0	0	114.7	W666 N667 K668 L921 G969	W666-Q670 VanDerWaalsContact O-CG 3.3Å; W666-Q670 WeakPolarHBondContact O-CG 3.21Å; W666-Q670 PolarHBondContact O-N 3.22Å; N667-Q670 PolarHBondContact O-N 2.68Å; K668-Q670 VanDerWaalsContact C-N 3.27Å; K668-Q670 PolarHBondContact O-N 3.27Å; Q670-L921 HydrophobicContact CG-CD2 4.37Å; Q670-G969 VanDerWaalsContact OE1-C 3.3Å
671	T	92.4	Very high	93.3	Very high	18 Å²	18	34.3 Å²	34.3	11%	0.11	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	5.1	-176.6	62.6	0	0	0	0	114.3	L669 R673 R962 R965 N966	L669-T671 PolarHBondContact O-N 3.38Å; L669-T671 VanDerWaalsContact O-N 3.1Å; T671-R673 PolarHBondContact O-N 3.35Å; T671-R962 HydrophobicContact CG2-CG 4.16Å; T671-R965 HydrophobicContact CG2-CB 4.16Å; T671-R965 HydrophobicContact CG2-CG 3.91Å; T671-N966 HydrophobicContact CG2-CB 3.96Å
672	I	91.8	Very high	93.5	Very high	50 Å²	50	34.2 Å²	34.2	26%	0.256	17%	0.17	S	C	.	.			trans	-71.8	129.3	177.2	-62.1	-179.3	0	0	0	108.9	K668 L669 K751 Y923	K668-I672 WeakPolarHBondContact O-CG1 3.35Å; L669-I672 HydrophobicContact CD2-CD1 3.82Å; L669-I672 PolarHBondContact O-N 2.94Å; I672-K751 HydrophobicContact CD1-CG 4.45Å; I672-Y923 HydrophobicContact CG2-CD2 4.22Å; I672-Y923 PolarHBondContact O-N 3.38Å
673	R	92.6	Very high	93.7	Very high	35 Å²	35	34.8 Å²	34.8	13%	0.132	18%	0.175	C	C	.	.			trans	-104.6	158.5	173.8	-77.6	-174.4	70.4	172.9	4.5	109.9	T671 I675 P677 F922 E926 L929 D933	T671-R673 PolarHBondContact O-N 3.35Å; R673-I675 VanDerWaalsContact C-N 3.34Å; R673-I675 WeakPolarHBondContact CB-O 3.49Å; R673-P677 HydrophobicContact CB-CG 4.5Å; R673-F922 HydrophobicContact CG-CB 4.08Å; R673-F922 HydrophobicContact CG-CD2 4.37Å; R673-E926 VanDerWaalsContact CB-OE2 3.28Å; R673-E926 WeakPolarHBondContact CB-OE2 3.21Å; R673-E926 IonicContact CZ-OE1 3.15Å; R673-E926 VanDerWaalsContact CZ-OE1 3.23Å; R673-E926 IonicContact NE-OE1 3.9Å; R673-E926 PolarHBondContact NE-OE1 2.97Å; R673-E926 IonicContact NE-OE2 2.92Å; R673-E926 PolarHBondContact NE-OE2 3.05Å; R673-E926 IonicContact NH2-OE1 3.93Å; R673-E926 PolarHBondContact NH2-OE1 3.36Å; R673-L929 HydrophobicContact CG-CD1 4.05Å; R673-L929 VanDerWaalsContact NH2-CB 3.33Å; R673-D933 IonicContact CZ-OD2 2.77Å; R673-D933 IonicContact NH1-OD2 3.4Å; R673-D933 PolarHBondContact NH1-OD2 3.39Å; R673-D933 IonicContact NH2-OD2 3.56Å; R673-D933 PolarHBondContact NH2-OD2 3.23Å
674	K	89.7	Confident	93.8	Very high	70 Å²	70	34.8 Å²	34.8	30%	0.304	17%	0.174	S	C	.	.	S	Bend	trans	-72.7	-32.1	177.8	-76.9	-174.9	172.7	-167.2	0	112	F740 Y923 E926	K674-F740 VanDerWaalsContact O-CD2 3.24Å; K674-F740 WeakPolarHBondContact O-CD2 3.39Å; K674-F740 VanDerWaalsContact O-CG 3.31Å; K674-F740 WeakPolarHBondContact O-CG 3.5Å; K674-Y923 HydrophobicContact CB-CE2 4.5Å; K674-Y923 HydrophobicContact CD-CE1 4.36Å; K674-Y923 VanDerWaalsContact CE-O 3.28Å; K674-Y923 WeakPolarHBondContact CE-O 3.42Å; K674-Y923 HydrophobicContact CG-CD1 4.14Å; K674-Y923 HydrophobicContact CG-CD2 3.71Å; K674-Y923 HydrophobicContact CG-CE1 4.04Å; K674-Y923 HydrophobicContact CG-CE2 3.6Å; K674-Y923 HydrophobicContact CG-CG 4Å; K674-E926 HydrophobicContact CB-CB 4.28Å; K674-E926 HydrophobicContact CB-CG 4.03Å; K674-E926 HydrophobicContact CD-CB 4.3Å; K674-E926 HydrophobicContact CG-CB 4.48Å; K674-E926 PolarHBondContact N-OE2 3.1Å
675	I	92.1	Very high	94	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	-108.4	166.9	176.1	72.9	-177.9	0	0	0	110.2	R673 P677 A733 Q736 V737 E926 L930	R673-I675 VanDerWaalsContact C-N 3.34Å; R673-I675 WeakPolarHBondContact CB-O 3.49Å; I675-P677 VanDerWaalsContact O-CD 3.29Å; I675-P677 WeakPolarHBondContact O-CD 3.28Å; I675-A733 HydrophobicContact CD1-CB 4.45Å; I675-Q736 HydrophobicContact CB-CB 4.09Å; I675-Q736 HydrophobicContact CG2-CB 3.82Å; I675-V737 HydrophobicContact CG2-CG2 3.6Å; I675-E926 WeakPolarHBondContact CD1-OE1 3.5Å; I675-E926 VanDerWaalsContact CG1-OE1 3.28Å; I675-E926 WeakPolarHBondContact CG1-OE1 3.19Å; I675-E926 HydrophobicContact CG2-CG 4.48Å; I675-L930 HydrophobicContact CD1-CD1 4.01Å
676	S	94	Very high	94.1	Very high	35 Å²	35	37.8 Å²	37.8	25%	0.245	19%	0.187	C	C	.	.			trans	-90.2	107.8	171.6	178.2	0	0	0	0	110.1	T678 F679 Q680 Q736	S676-T678 VanDerWaalsContact C-N 3.33Å; S676-T678 PolarHBondContact O-N 3.49Å; S676-T678 PolarHBondContact OG-OG1 2.92Å; S676-F679 PolarHBondContact O-N 2.86Å; S676-F679 WeakPolarHBondContact OG-CB 3.08Å; S676-Q680 WeakPolarHBondContact O-CB 3.08Å; S676-Q680 PolarHBondContact O-N 2.94Å; S676-Q736 PolarHBondContact O-OE1 2.87Å
677	P	93.7	Very high	94.3	Very high	31 Å²	31	40.5 Å²	40.5	20%	0.201	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-33.6	-175.7	-19.6	33.9	0	0	0	112.8	R673 I675 Q680 T681	R673-P677 HydrophobicContact CB-CG 4.5Å; I675-P677 VanDerWaalsContact O-CD 3.29Å; I675-P677 WeakPolarHBondContact O-CD 3.28Å; P677-Q680 WeakPolarHBondContact O-CB 3.31Å; P677-Q680 PolarHBondContact O-N 3.15Å; P677-T681 PolarHBondContact O-N 2.96Å; P677-T681 PolarHBondContact O-OG1 2.85Å; P677-T681 VanDerWaalsContact O-OG1 3.1Å
678	T	94.4	Very high	94.4	Very high	68 Å²	68	40.4 Å²	40.4	42%	0.417	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-49.8	176.2	42.4	0	0	0	0	111.3	S676 Q680 T681 M682 Y955	S676-T678 VanDerWaalsContact C-N 3.33Å; S676-T678 PolarHBondContact O-N 3.49Å; S676-T678 PolarHBondContact OG-OG1 2.92Å; T678-Q680 VanDerWaalsContact C-N 3.3Å; T678-Q680 PolarHBondContact O-N 2.84Å; T678-T681 PolarHBondContact O-N 2.62Å; T678-M682 WeakPolarHBondContact O-CB 3.12Å; T678-M682 VanDerWaalsContact O-CG 3.3Å; T678-M682 WeakPolarHBondContact O-CG 3.28Å; T678-M682 PolarHBondContact O-N 2.89Å; T678-Y955 HydrophobicContact CG2-CD2 4.17Å; T678-Y955 HydrophobicContact CG2-CE2 3.62Å
679	F	95.9	Very high	94.5	Very high	121 Å²	121	39.1 Å²	39.1	53%	0.531	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-39.7	177.3	178.3	-104.4	0	0	0	111.1	S676 T681 M682 A683 Q736	S676-F679 PolarHBondContact O-N 2.86Å; S676-F679 WeakPolarHBondContact OG-CB 3.08Å; F679-T681 PolarHBondContact O-N 2.89Å; F679-M682 PolarHBondContact O-N 2.87Å; F679-A683 HydrophobicContact CE1-CB 4.37Å; F679-A683 HydrophobicContact CZ-CB 4.3Å; F679-A683 WeakPolarHBondContact O-CB 3.49Å; F679-A683 PolarHBondContact O-N 3.21Å; F679-Q736 HydrophobicContact CD1-CG 4.25Å; F679-Q736 HydrophobicContact CE1-CG 4.36Å
680	Q	96.3	Very high	94.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-54.4	175.6	-177.7	69.7	25	0	0	111.8	S676 P677 T678 A683 V684 W729	S676-Q680 WeakPolarHBondContact O-CB 3.08Å; S676-Q680 PolarHBondContact O-N 2.94Å; P677-Q680 WeakPolarHBondContact O-CB 3.31Å; P677-Q680 PolarHBondContact O-N 3.15Å; T678-Q680 VanDerWaalsContact C-N 3.3Å; T678-Q680 PolarHBondContact O-N 2.84Å; Q680-A683 PolarHBondContact O-N 3.23Å; Q680-V684 WeakPolarHBondContact O-CG2 3.32Å; Q680-V684 PolarHBondContact O-N 3.1Å; Q680-W729 HydrophobicContact CB-CZ3 4.33Å; Q680-W729 HydrophobicContact CG-CD2 4.46Å; Q680-W729 HydrophobicContact CG-CE3 3.48Å; Q680-W729 VanDerWaalsContact CG-CE3 3.48Å; Q680-W729 HydrophobicContact CG-CH2 4.06Å; Q680-W729 HydrophobicContact CG-CZ3 3.25Å; Q680-W729 PolarHBondContact NE2-O 3.49Å
681	T	96.5	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-43	-179.2	-54.5	0	0	0	0	111.8	P677 T678 F679 L685 A951	P677-T681 PolarHBondContact O-N 2.96Å; P677-T681 PolarHBondContact O-OG1 2.85Å; P677-T681 VanDerWaalsContact O-OG1 3.1Å; T678-T681 PolarHBondContact O-N 2.62Å; F679-T681 PolarHBondContact O-N 2.89Å; T681-L685 WeakPolarHBondContact O-CB 3.19Å; T681-L685 PolarHBondContact O-N 2.83Å; T681-A951 HydrophobicContact CG2-CB 3.88Å; T681-A951 WeakPolarHBondContact CG2-O 3.31Å
682	M	96.8	Very high	94.6	Very high	103 Å²	103	48.7 Å²	48.7	51%	0.507	25%	0.248	S	C	.	.	H	α-helix	trans	-66.9	-40.9	179	-68.5	-62.9	99.5	0	0	112.6	T678 F679 L685 F686	T678-M682 WeakPolarHBondContact O-CB 3.12Å; T678-M682 VanDerWaalsContact O-CG 3.3Å; T678-M682 WeakPolarHBondContact O-CG 3.28Å; T678-M682 PolarHBondContact O-N 2.89Å; F679-M682 PolarHBondContact O-N 2.87Å; M682-L685 PolarHBondContact O-N 2.76Å; M682-F686 WeakPolarHBondContact O-CB 3.31Å; M682-F686 PolarHBondContact O-N 3.45Å
683	A	97.1	Very high	94.8	Very high	12 Å²	12	48.5 Å²	48.5	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-45.6	177.7	0	0	0	0	0	111	F679 Q680 L685 F686 F687 I732	F679-A683 HydrophobicContact CE1-CB 4.37Å; F679-A683 HydrophobicContact CZ-CB 4.3Å; F679-A683 WeakPolarHBondContact O-CB 3.49Å; F679-A683 PolarHBondContact O-N 3.21Å; Q680-A683 PolarHBondContact O-N 3.23Å; A683-L685 VanDerWaalsContact C-N 3.34Å; A683-L685 PolarHBondContact O-N 2.98Å; A683-F686 WeakPolarHBondContact O-CB 3.41Å; A683-F686 PolarHBondContact O-N 3.07Å; A683-F687 VanDerWaalsContact O-CD2 3.23Å; A683-F687 WeakPolarHBondContact O-CD2 3.43Å; A683-F687 PolarHBondContact O-N 2.98Å; A683-I732 HydrophobicContact CB-CD1 4.02Å; A683-I732 HydrophobicContact CB-CG2 4.04Å
684	V	97.3	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.4	-47	175.9	171.7	0	0	0	0	111	Q680 F686 F687 L688 W729 I732 F937	Q680-V684 WeakPolarHBondContact O-CG2 3.32Å; Q680-V684 PolarHBondContact O-N 3.1Å; V684-F686 VanDerWaalsContact C-N 3.32Å; V684-F686 PolarHBondContact O-N 3.36Å; V684-F687 PolarHBondContact O-N 3.44Å; V684-L688 HydrophobicContact CG1-CD1 3.55Å; V684-L688 HydrophobicContact CG1-CG 4.26Å; V684-L688 WeakPolarHBondContact O-CB 3.14Å; V684-L688 WeakPolarHBondContact O-CG 3.4Å; V684-L688 PolarHBondContact O-N 2.89Å; V684-W729 HydrophobicContact CG1-CG 4.45Å; V684-W729 HydrophobicContact CG2-CB 4.4Å; V684-W729 HydrophobicContact CG2-CD2 3.87Å; V684-W729 HydrophobicContact CG2-CG 3.78Å; V684-I732 HydrophobicContact CB-CD1 4.44Å; V684-I732 HydrophobicContact CG2-CD1 3.7Å; V684-F937 HydrophobicContact CG1-CZ 4.34Å
685	L	96.7	Very high	94.9	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-39.1	178.8	-174	63.8	0	0	0	112.2	T681 M682 A683 L688 E689 F947 V948 A951	T681-L685 WeakPolarHBondContact O-CB 3.19Å; T681-L685 PolarHBondContact O-N 2.83Å; M682-L685 PolarHBondContact O-N 2.76Å; A683-L685 VanDerWaalsContact C-N 3.34Å; A683-L685 PolarHBondContact O-N 2.98Å; L685-L688 PolarHBondContact O-N 3.35Å; L685-E689 HydrophobicContact CD1-CB 4.37Å; L685-E689 HydrophobicContact CD1-CG 3.74Å; L685-E689 PolarHBondContact O-N 2.87Å; L685-F947 HydrophobicContact CD1-CB 4.26Å; L685-V948 HydrophobicContact CD1-CG2 4.11Å; L685-A951 HydrophobicContact CB-CB 4.3Å; L685-A951 HydrophobicContact CD1-CB 4.08Å; L685-A951 HydrophobicContact CD2-CB 3.92Å; L685-A951 HydrophobicContact CG-CB 4.33Å
686	F	96.9	Very high	95	Very high	97 Å²	97	45.8 Å²	45.8	43%	0.425	24%	0.237	S	C	.	.	I	π-helix	trans	-59.6	-47.8	175.6	175.5	-96.7	0	0	0	112	M682 A683 V684 V690 L691	M682-F686 WeakPolarHBondContact O-CB 3.31Å; M682-F686 PolarHBondContact O-N 3.45Å; A683-F686 WeakPolarHBondContact O-CB 3.41Å; A683-F686 PolarHBondContact O-N 3.07Å; V684-F686 VanDerWaalsContact C-N 3.32Å; V684-F686 PolarHBondContact O-N 3.36Å; F686-V690 HydrophobicContact CD2-CB 3.67Å; F686-V690 HydrophobicContact CD2-CG1 3.85Å; F686-V690 HydrophobicContact CD2-CG2 3.87Å; F686-V690 HydrophobicContact CE2-CB 3.95Å; F686-V690 HydrophobicContact CE2-CG1 3.62Å; F686-V690 HydrophobicContact CE2-CG2 4.49Å; F686-V690 HydrophobicContact CG-CB 4.3Å; F686-V690 HydrophobicContact CZ-CG1 4.45Å; F686-V690 WeakPolarHBondContact O-CA 3.46Å; F686-V690 VanDerWaalsContact O-CB 3.23Å; F686-V690 WeakPolarHBondContact O-CB 3.28Å; F686-V690 PolarHBondContact O-N 3.28Å; F686-L691 HydrophobicContact CD1-CD1 4.27Å; F686-L691 HydrophobicContact CD1-CG 4.27Å; F686-L691 HydrophobicContact CE1-CD1 3.73Å; F686-L691 HydrophobicContact CE1-CD2 4.1Å; F686-L691 HydrophobicContact CE1-CG 3.8Å; F686-L691 HydrophobicContact CZ-CD1 4.45Å; F686-L691 HydrophobicContact CZ-CD2 3.99Å; F686-L691 HydrophobicContact CZ-CG 4.14Å; F686-L691 PolarHBondContact O-N 2.98Å
687	F	96.4	Very high	95	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.294	23%	0.225	S	C	.	.	I	π-helix	trans	-65.3	-44	177.1	-79.1	-80.6	0	0	0	112.2	A683 V684 L691 F693 L728 I732	A683-F687 VanDerWaalsContact O-CD2 3.23Å; A683-F687 WeakPolarHBondContact O-CD2 3.43Å; A683-F687 PolarHBondContact O-N 2.98Å; V684-F687 PolarHBondContact O-N 3.44Å; F687-L691 HydrophobicContact CD1-CD1 3.5Å; F687-L691 HydrophobicContact CE1-CD1 3.64Å; F687-L691 HydrophobicContact CG-CD1 4.33Å; F687-F693 HydrophobicContact CB-CD2 4.4Å; F687-F693 HydrophobicContact CD1-CD2 4.44Å; F687-F693 HydrophobicContact CD1-CE1 4.46Å; F687-F693 AromaticContact CD1-CE2 3.93Å; F687-F693 HydrophobicContact CD1-CE2 3.93Å; F687-F693 AromaticContact CD1-CZ 3.95Å; F687-F693 HydrophobicContact CD1-CZ 3.95Å; F687-F693 VanDerWaalsContact O-CB 3.24Å; F687-F693 WeakPolarHBondContact O-CB 3.06Å; F687-F693 WeakPolarHBondContact O-CG 3.13Å; F687-F693 PolarHBondContact O-N 3.18Å; F687-L728 HydrophobicContact CB-CD1 4.12Å; F687-L728 HydrophobicContact CB-CD2 4.27Å; F687-L728 HydrophobicContact CG-CD2 4.48Å; F687-I732 HydrophobicContact CD2-CD1 3.95Å; F687-I732 HydrophobicContact CE2-CD1 4.33Å
688	L	95.3	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-66.9	-50.6	-176.6	-72.8	172.6	0	0	0	112.9	V684 L685 N692 F693 S694 L724 L728 F937 F947	V684-L688 HydrophobicContact CG1-CD1 3.55Å; V684-L688 HydrophobicContact CG1-CG 4.26Å; V684-L688 WeakPolarHBondContact O-CB 3.14Å; V684-L688 WeakPolarHBondContact O-CG 3.4Å; V684-L688 PolarHBondContact O-N 2.89Å; L685-L688 PolarHBondContact O-N 3.35Å; L688-N692 CarbonylContact O-C 3.55Å; L688-F693 PolarHBondContact O-N 2.88Å; L688-F693 VanDerWaalsContact O-N 3.16Å; L688-S694 WeakPolarHBondContact O-CB 3.4Å; L688-S694 PolarHBondContact O-N 2.94Å; L688-S694 PolarHBondContact O-OG 2.84Å; L688-L724 HydrophobicContact CD2-CD2 3.66Å; L688-L724 HydrophobicContact CD2-CG 3.88Å; L688-L728 HydrophobicContact CD2-CD1 3.52Å; L688-L728 HydrophobicContact CG-CD1 3.8Å; L688-F937 HydrophobicContact CD1-CE1 4.17Å; L688-F937 HydrophobicContact CD1-CZ 3.92Å; L688-F947 HydrophobicContact CB-CD2 4.08Å; L688-F947 HydrophobicContact CB-CE2 4.44Å; L688-F947 HydrophobicContact CB-CG 4.28Å; L688-F947 HydrophobicContact CD1-CB 4.33Å; L688-F947 HydrophobicContact CD1-CD1 3.68Å; L688-F947 HydrophobicContact CD1-CD2 4.35Å; L688-F947 HydrophobicContact CD1-CE1 3.92Å; L688-F947 HydrophobicContact CD1-CG 3.89Å; L688-F947 HydrophobicContact CD1-CZ 4.35Å; L688-F947 HydrophobicContact CD2-CE1 4.33Å; L688-F947 HydrophobicContact CD2-CE2 4.16Å; L688-F947 HydrophobicContact CD2-CZ 4Å
689	E	93.9	Very high	94.8	Very high	65 Å²	65	40.4 Å²	40.4	30%	0.304	20%	0.2	S	C	.	.	I	π-helix	trans	-100.1	-45.7	-171.9	-67.3	-67.2	172.1	0	0	112.8	L685 N692 F947 V948	L685-E689 HydrophobicContact CD1-CB 4.37Å; L685-E689 HydrophobicContact CD1-CG 3.74Å; L685-E689 PolarHBondContact O-N 2.87Å; E689-N692 PolarHBondContact O-N 3.44Å; E689-F947 HydrophobicContact CG-CB 4.16Å; E689-F947 WeakPolarHBondContact OE1-CB 3.31Å; E689-F947 WeakPolarHBondContact OE1-CD2 3.44Å; E689-V948 HydrophobicContact CG-CG2 4.08Å
690	V	93.4	Very high	94.6	Very high	93 Å²	93	34.7 Å²	34.7	56%	0.564	18%	0.175	S	C	*	.	I	π-helix	trans	-75.1	-40.9	-174.9	-176.2	0	0	0	0	111.5	F686 N692	F686-V690 HydrophobicContact CD2-CB 3.67Å; F686-V690 HydrophobicContact CD2-CG1 3.85Å; F686-V690 HydrophobicContact CD2-CG2 3.87Å; F686-V690 HydrophobicContact CE2-CB 3.95Å; F686-V690 HydrophobicContact CE2-CG1 3.62Å; F686-V690 HydrophobicContact CE2-CG2 4.49Å; F686-V690 HydrophobicContact CG-CB 4.3Å; F686-V690 HydrophobicContact CZ-CG1 4.45Å; F686-V690 WeakPolarHBondContact O-CA 3.46Å; F686-V690 VanDerWaalsContact O-CB 3.23Å; F686-V690 WeakPolarHBondContact O-CB 3.28Å; F686-V690 PolarHBondContact O-N 3.28Å; V690-N692 VanDerWaalsContact C-N 3.31Å
691	L	93.8	Very high	94.2	Very high	67 Å²	67	34.7 Å²	34.7	35%	0.351	18%	0.175	S	C	.	.	S	Bend	trans	-88.6	3.6	174.5	-58.1	-174.5	0	0	0	113.4	F686 F687 F693	F686-L691 HydrophobicContact CD1-CD1 4.27Å; F686-L691 HydrophobicContact CD1-CG 4.27Å; F686-L691 HydrophobicContact CE1-CD1 3.73Å; F686-L691 HydrophobicContact CE1-CD2 4.1Å; F686-L691 HydrophobicContact CE1-CG 3.8Å; F686-L691 HydrophobicContact CZ-CD1 4.45Å; F686-L691 HydrophobicContact CZ-CD2 3.99Å; F686-L691 HydrophobicContact CZ-CG 4.14Å; F686-L691 PolarHBondContact O-N 2.98Å; F687-L691 HydrophobicContact CD1-CD1 3.5Å; F687-L691 HydrophobicContact CE1-CD1 3.64Å; F687-L691 HydrophobicContact CG-CD1 4.33Å; L691-F693 VanDerWaalsContact C-N 3.27Å; L691-F693 HydrophobicContact CB-CD1 3.87Å; L691-F693 HydrophobicContact CB-CE1 3.9Å; L691-F693 HydrophobicContact CD1-CE1 4.34Å; L691-F693 PolarHBondContact O-N 3.23Å
692	N	92.8	Very high	93.8	Very high	69 Å²	69	38.2 Å²	38.2	37%	0.369	19%	0.188	S	C	.	.			trans	55.3	34.2	179.7	-66.4	-69.5	0	0	0	114.5	L688 E689 V690 S694 N695 L705	L688-N692 CarbonylContact O-C 3.55Å; E689-N692 PolarHBondContact O-N 3.44Å; V690-N692 VanDerWaalsContact C-N 3.31Å; N692-S694 PolarHBondContact O-N 2.95Å; N692-N695 WeakPolarHBondContact O-CB 3.45Å; N692-N695 PolarHBondContact O-N 3.02Å; N692-N695 VanDerWaalsContact O-N 3.17Å; N692-L705 WeakPolarHBondContact CB-O 3.26Å
693	F	94.7	Very high	93.2	Very high	46 Å²	46	36 Å²	36	20%	0.202	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-64.5	-21.4	172.9	-77.5	27.1	0	0	0	111.2	F687 L688 L691 N695 L696 L705 L724 L728	F687-F693 HydrophobicContact CB-CD2 4.4Å; F687-F693 HydrophobicContact CD1-CD2 4.44Å; F687-F693 HydrophobicContact CD1-CE1 4.46Å; F687-F693 AromaticContact CD1-CE2 3.93Å; F687-F693 HydrophobicContact CD1-CE2 3.93Å; F687-F693 AromaticContact CD1-CZ 3.95Å; F687-F693 HydrophobicContact CD1-CZ 3.95Å; F687-F693 VanDerWaalsContact O-CB 3.24Å; F687-F693 WeakPolarHBondContact O-CB 3.06Å; F687-F693 WeakPolarHBondContact O-CG 3.13Å; F687-F693 PolarHBondContact O-N 3.18Å; L688-F693 PolarHBondContact O-N 2.88Å; L688-F693 VanDerWaalsContact O-N 3.16Å; L691-F693 VanDerWaalsContact C-N 3.27Å; L691-F693 HydrophobicContact CB-CD1 3.87Å; L691-F693 HydrophobicContact CB-CE1 3.9Å; L691-F693 HydrophobicContact CD1-CE1 4.34Å; L691-F693 PolarHBondContact O-N 3.23Å; F693-N695 PolarHBondContact O-N 2.84Å; F693-N695 VanDerWaalsContact O-N 3.08Å; F693-L696 VanDerWaalsContact O-CB 3.28Å; F693-L696 WeakPolarHBondContact O-CB 3.34Å; F693-L696 PolarHBondContact O-N 3.43Å; F693-L705 HydrophobicContact CD1-CD1 3.97Å; F693-L705 HydrophobicContact CD1-CD2 3.58Å; F693-L705 HydrophobicContact CD1-CG 4.38Å; F693-L705 HydrophobicContact CE1-CD1 3.54Å; F693-L705 HydrophobicContact CE1-CD2 3.96Å; F693-L705 HydrophobicContact CE1-CG 4.4Å; F693-L705 HydrophobicContact CG-CD2 4.2Å; F693-L705 HydrophobicContact CZ-CD1 4.43Å; F693-L724 HydrophobicContact CB-CD1 4.45Å; F693-L724 HydrophobicContact CB-CD2 4.32Å; F693-L724 WeakPolarHBondContact O-CD2 3.4Å; F693-L728 HydrophobicContact CD2-CD1 4.2Å; F693-L728 HydrophobicContact CD2-CD2 4.17Å; F693-L728 HydrophobicContact CE2-CD2 4.34Å
694	S	92.5	Very high	92.6	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.028	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-46.9	-35	170	58.9	0	0	0	0	112.9	L688 N692 L696 A697 Y716	L688-S694 WeakPolarHBondContact O-CB 3.4Å; L688-S694 PolarHBondContact O-N 2.94Å; L688-S694 PolarHBondContact O-OG 2.84Å; N692-S694 PolarHBondContact O-N 2.95Å; S694-L696 PolarHBondContact O-N 2.97Å; S694-L696 VanDerWaalsContact O-N 3.15Å; S694-A697 WeakPolarHBondContact O-CB 3.42Å; S694-A697 PolarHBondContact O-N 2.88Å; S694-Y716 WeakPolarHBondContact O-CE1 3.38Å
695	N	92.6	Very high	92	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.112	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63	-20.5	178	-71.2	-30.2	0	0	0	114	N692 F693 A697 L698 L705	N692-N695 WeakPolarHBondContact O-CB 3.45Å; N692-N695 PolarHBondContact O-N 3.02Å; N692-N695 VanDerWaalsContact O-N 3.17Å; F693-N695 PolarHBondContact O-N 2.84Å; F693-N695 VanDerWaalsContact O-N 3.08Å; N695-A697 PolarHBondContact O-N 2.89Å; N695-L698 HydrophobicContact CB-CD1 3.99Å; N695-L698 WeakPolarHBondContact O-CB 3.46Å; N695-L698 WeakPolarHBondContact O-CG 3.47Å; N695-L698 PolarHBondContact O-N 3.45Å; N695-L698 WeakPolarHBondContact OD1-CD1 3.41Å; N695-L705 PolarHBondContact ND2-O 2.85Å
696	L	93.3	Very high	91.5	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-72.5	-13.5	172	-60	176.3	0	0	0	112.8	K580 F693 S694 L705 L724	K580-L696 WeakPolarHBondContact CE-O 3.35Å; F693-L696 VanDerWaalsContact O-CB 3.28Å; F693-L696 WeakPolarHBondContact O-CB 3.34Å; F693-L696 PolarHBondContact O-N 3.43Å; S694-L696 PolarHBondContact O-N 2.97Å; S694-L696 VanDerWaalsContact O-N 3.15Å; L696-L705 HydrophobicContact CD1-CD2 3.92Å; L696-L705 HydrophobicContact CD2-CD2 4.11Å; L696-L705 HydrophobicContact CG-CD2 3.85Å; L696-L724 HydrophobicContact CB-CD2 4.39Å; L696-L724 HydrophobicContact CD1-CD1 4.29Å
697	A	94.1	Very high	90.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-89.3	-1.9	175.3	0	0	0	0	0	113.6	S694 N695 Y716 S717 L720 R721	S694-A697 WeakPolarHBondContact O-CB 3.42Å; S694-A697 PolarHBondContact O-N 2.88Å; N695-A697 PolarHBondContact O-N 2.89Å; A697-Y716 HydrophobicContact CB-CD1 3.87Å; A697-Y716 HydrophobicContact CB-CE1 4.41Å; A697-S717 PolarHBondContact O-N 3.14Å; A697-L720 HydrophobicContact CB-CB 4.29Å; A697-R721 HydrophobicContact CB-CB 3.86Å; A697-R721 HydrophobicContact CB-CG 4.14Å
698	L	93.4	Very high	90.1	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-74.2	147.6	179.6	-61.1	169.3	0	0	0	111.5	K580 N695 D700 R707 P714 Y716	K580-L698 PolarHBondContact NZ-O 3.21Å; N695-L698 HydrophobicContact CB-CD1 3.99Å; N695-L698 WeakPolarHBondContact O-CB 3.46Å; N695-L698 WeakPolarHBondContact O-CG 3.47Å; N695-L698 PolarHBondContact O-N 3.45Å; N695-L698 WeakPolarHBondContact OD1-CD1 3.41Å; L698-D700 PolarHBondContact O-N 3.42Å; L698-R707 VanDerWaalsContact CD1-NH1 3.32Å; L698-P714 WeakPolarHBondContact CD2-O 3.49Å; L698-Y716 HydrophobicContact CD2-CD1 3.57Å; L698-Y716 HydrophobicContact CD2-CE1 3.42Å; L698-Y716 VanDerWaalsContact CD2-CE1 3.42Å; L698-Y716 HydrophobicContact CD2-CE2 4.45Å; L698-Y716 HydrophobicContact CD2-CG 4.16Å; L698-Y716 HydrophobicContact CG-CD1 4.17Å; L698-Y716 HydrophobicContact CG-CE1 3.95Å
699	R	92.1	Very high	89.5	Confident	17 Å²	17	52.5 Å²	52.5	6%	0.064	28%	0.283	C	S	.	.	S	Bend	trans	-77.2	56.9	-179.2	-66.5	-179	75.4	88.3	6.4	113.2	A364 L589 P590 E595 P714 P715	A364-R699 HydrophobicContact CB-CB 3.7Å; A364-R699 PolarHBondContact N-O 3.23Å; L589-R699 HydrophobicContact CD1-CB 4.23Å; L589-R699 HydrophobicContact CD1-CG 3.97Å; P590-R699 VanDerWaalsContact O-CZ 3.31Å; P590-R699 PolarHBondContact O-NH1 3.3Å; P590-R699 PolarHBondContact O-NH2 2.89Å; E595-R699 IonicContact OE1-NH1 3.79Å; E595-R699 PolarHBondContact OE1-NH1 2.61Å; E595-R699 VanDerWaalsContact OE1-NH1 3.15Å; R699-P714 HydrophobicContact CB-CB 4.35Å; R699-P715 WeakPolarHBondContact CB-O 3.34Å; R699-P715 VanDerWaalsContact CG-O 3.28Å; R699-P715 WeakPolarHBondContact CG-O 3.11Å; R699-P715 PolarHBondContact N-O 3.45Å; R699-P715 VanDerWaalsContact N-O 3.13Å
700	D	90.5	Very high	89	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.298	C	S	.	.	S	Bend	trans	-140.2	161.2	172.2	53.1	51.6	0	0	0	111.1	T363 Y579 K580 L698 W702 R707 P714	T363-D700 HydrophobicContact CG2-CB 4.15Å; Y579-D700 WeakPolarHBondContact CE1-O 3.45Å; Y579-D700 VanDerWaalsContact OH-CA 3.29Å; Y579-D700 WeakPolarHBondContact OH-CA 3.47Å; Y579-D700 PolarHBondContact OH-N 2.96Å; Y579-D700 PolarHBondContact OH-O 2.97Å; K580-D700 WeakPolarHBondContact CD-O 3.4Å; K580-D700 VanDerWaalsContact CE-O 3.31Å; K580-D700 WeakPolarHBondContact CE-O 3.25Å; K580-D700 PolarHBondContact NZ-O 3.07Å; K580-D700 IonicContact NZ-OD1 2.8Å; K580-D700 PolarHBondContact NZ-OD1 2.54Å; L698-D700 PolarHBondContact O-N 3.42Å; D700-W702 PolarHBondContact O-N 2.83Å; D700-W702 PolarHBondContact OD1-N 2.89Å; D700-R707 IonicContact OD1-CZ 2.7Å; D700-R707 IonicContact OD1-NH2 2.73Å; D700-R707 PolarHBondContact OD1-NH2 2.83Å; D700-R707 IonicContact OD2-CZ 2.7Å; D700-R707 IonicContact OD2-NH1 3.09Å; D700-R707 PolarHBondContact OD2-NH1 3.22Å; D700-R707 IonicContact OD2-NH2 3.3Å; D700-R707 PolarHBondContact OD2-NH2 2.96Å; D700-P714 HydrophobicContact CB-CG 4.19Å; D700-P714 WeakPolarHBondContact OD2-CG 3.37Å
701	P	88.4	Confident	88.5	Confident	1 Å²	1	53 Å²	53	1%	0.006	28%	0.284	C	S	.	.	S	Bend	trans	-76.5	-2.3	-178.5	31.3	-37.5	0	0	0	113.6	F312 G362	F312-P701 HydrophobicContact CB-CB 4.17Å; F312-P701 HydrophobicContact CD1-CB 3.64Å; F312-P701 HydrophobicContact CD1-CG 3.65Å; F312-P701 HydrophobicContact CD2-CB 3.47Å; F312-P701 VanDerWaalsContact CD2-CB 3.47Å; F312-P701 HydrophobicContact CD2-CG 4.39Å; F312-P701 HydrophobicContact CE1-CB 3.78Å; F312-P701 HydrophobicContact CE1-CG 3.71Å; F312-P701 HydrophobicContact CE2-CB 3.64Å; F312-P701 HydrophobicContact CE2-CG 4.46Å; F312-P701 HydrophobicContact CG-CB 3.5Å; F312-P701 HydrophobicContact CG-CG 4.02Å; F312-P701 HydrophobicContact CZ-CB 3.79Å; F312-P701 HydrophobicContact CZ-CG 4.14Å; G362-P701 WeakPolarHBondContact O-CD 3.02Å
702	W	87.1	Confident	88.3	Confident	75 Å²	75	51.7 Å²	51.7	28%	0.284	28%	0.275	S	S	.	.			trans	-82.8	136.2	-169.6	-51.7	120.1	0	0	0	111.7	T319 K580 D700	T319-W702 HydrophobicContact CG2-CH2 4.25Å; K580-W702 PolarHBondContact NZ-O 2.85Å; D700-W702 PolarHBondContact O-N 2.83Å; D700-W702 PolarHBondContact OD1-N 2.89Å
703	S	84.8	Confident	88.1	Confident	55 Å²	55	52.6 Å²	52.6	39%	0.385	28%	0.283	S	S	.	.			trans	-101	23.8	174.4	67.2	0	0	0	0	112.6	R313	R313-S703 PolarHBondContact NH2-OG 3.14Å
704	T	84.5	Confident	87.9	Confident	71 Å²	71	50.7 Å²	50.7	44%	0.436	28%	0.275	S	S	.	.			trans	-79.8	121.7	180	50	0	0	0	0	110.3
705	L	85.4	Confident	87.9	Confident	66 Å²	66	53.4 Å²	53.4	35%	0.346	29%	0.293	S	S	.	.	S	Bend	trans	-74.6	-33.4	179	-62.3	177.8	0	0	0	112.6	N692 F693 N695 L696	N692-L705 WeakPolarHBondContact CB-O 3.26Å; F693-L705 HydrophobicContact CD1-CD1 3.97Å; F693-L705 HydrophobicContact CD1-CD2 3.58Å; F693-L705 HydrophobicContact CD1-CG 4.38Å; F693-L705 HydrophobicContact CE1-CD1 3.54Å; F693-L705 HydrophobicContact CE1-CD2 3.96Å; F693-L705 HydrophobicContact CE1-CG 4.4Å; F693-L705 HydrophobicContact CG-CD2 4.2Å; F693-L705 HydrophobicContact CZ-CD1 4.43Å; N695-L705 PolarHBondContact ND2-O 2.85Å; L696-L705 HydrophobicContact CD1-CD2 3.92Å; L696-L705 HydrophobicContact CD2-CD2 4.11Å; L696-L705 HydrophobicContact CG-CD2 3.85Å
706	Q	84.9	Confident	87.9	Confident	169 Å²	169	55.7 Å²	55.7	79%	0.79	30%	0.301	S	S	*	.			trans	-110.2	135.9	179	-165	171.2	-2	0	0	109.7
707	R	81.8	Confident	87.9	Confident	51 Å²	51	54.2 Å²	54.2	19%	0.192	29%	0.293	C	S	.	.			trans	-123.2	150.2	177.4	-65.9	-173.4	-175.6	-158	-1.5	110.2	L698 D700	L698-R707 VanDerWaalsContact CD1-NH1 3.32Å; D700-R707 IonicContact OD1-CZ 2.7Å; D700-R707 IonicContact OD1-NH2 2.73Å; D700-R707 PolarHBondContact OD1-NH2 2.83Å; D700-R707 IonicContact OD2-CZ 2.7Å; D700-R707 IonicContact OD2-NH1 3.09Å; D700-R707 PolarHBondContact OD2-NH1 3.22Å; D700-R707 IonicContact OD2-NH2 3.3Å; D700-R707 PolarHBondContact OD2-NH2 2.96Å
708	S	83.9	Confident	87.9	Confident	70 Å²	70	55.9 Å²	55.9	49%	0.49	30%	0.302	S	S	.	.			trans	-70.5	145.4	171.6	55.4	0	0	0	0	110.1	E710 A711	S708-E710 PolarHBondContact O-N 2.93Å; S708-A711 WeakPolarHBondContact O-CB 3.07Å; S708-A711 PolarHBondContact O-N 3.36Å; S708-A711 VanDerWaalsContact O-N 3.16Å; S708-A711 WeakPolarHBondContact OG-CB 3.11Å
709	P	82.5	Confident	88	Confident	127 Å²	127	56 Å²	56	83%	0.825	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.6	178.1	-22.5	33.1	0	0	0	114
710	E	82.2	Confident	88.1	Confident	133 Å²	133	55.1 Å²	55.1	62%	0.621	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.8	-179.1	-64	172.5	-172.9	0	0	112.7	K354 S708	K354-E710 WeakPolarHBondContact CG-O 3.46Å; S708-E710 PolarHBondContact O-N 2.93Å
711	A	83.3	Confident	88.3	Confident	34 Å²	34	55.2 Å²	55.2	28%	0.281	30%	0.299	S	S	.	.	S	Bend	trans	-72.5	151.2	-179.7	0	0	0	0	0	111.8	S708	S708-A711 WeakPolarHBondContact O-CB 3.07Å; S708-A711 PolarHBondContact O-N 3.36Å; S708-A711 VanDerWaalsContact O-N 3.16Å; S708-A711 WeakPolarHBondContact OG-CB 3.11Å
712	Y	88.8	Confident	88.7	Confident	40 Å²	40	55.2 Å²	55.2	16%	0.157	30%	0.299	C	S	.	.			trans	-68.4	137.2	169.7	179.2	-102.5	0	0	0	110.8	A357 Y365 Q366 P714	A357-Y712 HydrophobicContact CB-CD1 4.21Å; A357-Y712 HydrophobicContact CB-CG 4.15Å; Y365-Y712 AromaticContact CD2-CD1 3.81Å; Y365-Y712 HydrophobicContact CD2-CD1 3.81Å; Y365-Y712 HydrophobicContact CD2-CD2 4.1Å; Y365-Y712 AromaticContact CD2-CE1 3.69Å; Y365-Y712 HydrophobicContact CD2-CE1 3.69Å; Y365-Y712 AromaticContact CD2-CE2 3.98Å; Y365-Y712 HydrophobicContact CD2-CE2 3.98Å; Y365-Y712 HydrophobicContact CD2-CG 4.02Å; Y365-Y712 AromaticContact CD2-CZ 3.78Å; Y365-Y712 HydrophobicContact CE2-CD1 4.24Å; Y365-Y712 AromaticContact CE2-CD2 3.75Å; Y365-Y712 HydrophobicContact CE2-CD2 3.75Å; Y365-Y712 HydrophobicContact CE2-CE1 4.33Å; Y365-Y712 AromaticContact CE2-CE2 3.84Å; Y365-Y712 HydrophobicContact CE2-CE2 3.84Å; Y365-Y712 AromaticContact CE2-CG 3.96Å; Y365-Y712 HydrophobicContact CE2-CG 3.96Å; Y365-Y712 HydrophobicContact CG-CE1 4.4Å; Q366-Y712 PolarHBondContact N-OH 2.8Å; Q366-Y712 PolarHBondContact O-OH 2.76Å; Y712-P714 HydrophobicContact CD1-CG 3.97Å; Y712-P714 HydrophobicContact CE1-CB 4.15Å; Y712-P714 HydrophobicContact CE1-CG 3.86Å
713	T	90.1	Very high	89.2	Confident	89 Å²	89	51.6 Å²	51.6	55%	0.546	29%	0.285	S	S	.	.			trans	-110.5	105.1	175.3	52.2	0	0	0	0	109.4
714	P	90.4	Very high	89.7	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.032	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59.6	159.7	175.4	-25.6	36.4	0	0	0	112.3	T363 A364 L698 R699 D700 Y712	T363-P714 HydrophobicContact CG2-CG 3.77Å; A364-P714 WeakPolarHBondContact O-CB 3.32Å; L698-P714 WeakPolarHBondContact CD2-O 3.49Å; R699-P714 HydrophobicContact CB-CB 4.35Å; D700-P714 HydrophobicContact CB-CG 4.19Å; D700-P714 WeakPolarHBondContact OD2-CG 3.37Å; Y712-P714 HydrophobicContact CD1-CG 3.97Å; Y712-P714 HydrophobicContact CE1-CB 4.15Å; Y712-P714 HydrophobicContact CE1-CG 3.86Å
715	P	91.6	Very high	90.3	Very high	62 Å²	62	46 Å²	46	40%	0.403	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-62.9	156.3	169.9	25.8	-32.3	0	0	0	111.6	R699	R699-P715 WeakPolarHBondContact CB-O 3.34Å; R699-P715 VanDerWaalsContact CG-O 3.28Å; R699-P715 WeakPolarHBondContact CG-O 3.11Å; R699-P715 PolarHBondContact N-O 3.45Å; R699-P715 VanDerWaalsContact N-O 3.13Å
716	Y	92.1	Very high	90.9	Very high	68 Å²	68	42.9 Å²	42.9	27%	0.267	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-69.5	145.7	174.6	-68.5	-71.9	0	0	0	111.6	S694 A697 L698 R721	S694-Y716 WeakPolarHBondContact O-CE1 3.38Å; A697-Y716 HydrophobicContact CB-CD1 3.87Å; A697-Y716 HydrophobicContact CB-CE1 4.41Å; L698-Y716 HydrophobicContact CD2-CD1 3.57Å; L698-Y716 HydrophobicContact CD2-CE1 3.42Å; L698-Y716 VanDerWaalsContact CD2-CE1 3.42Å; L698-Y716 HydrophobicContact CD2-CE2 4.45Å; L698-Y716 HydrophobicContact CD2-CG 4.16Å; L698-Y716 HydrophobicContact CG-CD1 4.17Å; L698-Y716 HydrophobicContact CG-CE1 3.95Å; Y716-R721 VanDerWaalsContact CE2-NH1 3.26Å
717	S	94.1	Very high	91.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-90	130.1	162.4	162.5	0	0	0	0	109.2	E595 A697 I719 L720 R721	E595-S717 WeakPolarHBondContact OE1-CB 3.27Å; E595-S717 PolarHBondContact OE1-OG 2.88Å; A697-S717 PolarHBondContact O-N 3.14Å; S717-I719 VanDerWaalsContact C-N 3.27Å; S717-I719 PolarHBondContact O-N 2.97Å; S717-I719 PolarHBondContact OG-N 2.83Å; S717-L720 PolarHBondContact O-N 3.38Å; S717-L720 PolarHBondContact OG-N 2.92Å; S717-R721 WeakPolarHBondContact O-CB 3.03Å; S717-R721 PolarHBondContact O-N 3.4Å
718	L	94.3	Very high	92.1	Very high	36 Å²	36	35.1 Å²	35.1	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-34.9	-179.6	-59.9	-179	0	0	0	111.3	E595 V599 Y722 L942	E595-L718 VanDerWaalsContact OE2-CB 3.31Å; E595-L718 WeakPolarHBondContact OE2-CB 3.5Å; E595-L718 WeakPolarHBondContact OE2-CG 3.46Å; E595-L718 PolarHBondContact OE2-N 2.85Å; V599-L718 HydrophobicContact CG2-CB 4.29Å; V599-L718 HydrophobicContact CG2-CD1 3.79Å; L718-Y722 WeakPolarHBondContact O-CB 3.31Å; L718-Y722 PolarHBondContact O-N 2.92Å; L718-L942 HydrophobicContact CB-CD2 3.84Å; L718-L942 HydrophobicContact CD2-CD2 4.01Å; L718-L942 HydrophobicContact CG-CD2 4.44Å
719	I	94.8	Very high	92.8	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-49.1	177.4	-65.1	175.3	0	0	0	110.9	W575 P590 E595 F598 S717 R721 G723	W575-I719 HydrophobicContact CB-CG2 3.85Å; W575-I719 HydrophobicContact CG-CG2 3.94Å; P590-I719 HydrophobicContact CB-CD1 4.2Å; P590-I719 HydrophobicContact CG-CD1 3.68Å; E595-I719 HydrophobicContact CB-CD1 4.46Å; E595-I719 HydrophobicContact CB-CG1 4.39Å; E595-I719 HydrophobicContact CG-CD1 3.77Å; E595-I719 HydrophobicContact CG-CG1 3.95Å; F598-I719 HydrophobicContact CB-CG1 4.42Å; F598-I719 HydrophobicContact CD1-CB 4.44Å; F598-I719 HydrophobicContact CD1-CG1 3.58Å; F598-I719 HydrophobicContact CE1-CB 4.27Å; F598-I719 HydrophobicContact CE1-CG1 3.9Å; F598-I719 HydrophobicContact CE1-CG2 4.42Å; F598-I719 HydrophobicContact CG-CD1 4.47Å; F598-I719 HydrophobicContact CG-CG1 3.98Å; F598-I719 HydrophobicContact CZ-CG2 4.47Å; S717-I719 VanDerWaalsContact C-N 3.27Å; S717-I719 PolarHBondContact O-N 2.97Å; S717-I719 PolarHBondContact OG-N 2.83Å; I719-R721 VanDerWaalsContact C-N 3.34Å; I719-G723 PolarHBondContact O-N 2.59Å
720	L	95.1	Very high	93.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-41.1	179.2	-65	-172.1	0	0	0	111.5	W575 L576 Y579 L589 A697 S717 G723 L724	W575-L720 HydrophobicContact CB-CD2 3.92Å; L576-L720 HydrophobicContact CB-CD2 4.27Å; L576-L720 HydrophobicContact CD1-CD2 4.22Å; Y579-L720 HydrophobicContact CD1-CD1 4Å; Y579-L720 HydrophobicContact CE1-CD1 4.3Å; L589-L720 HydrophobicContact CD1-CD1 3.78Å; L589-L720 HydrophobicContact CD1-CG 4.36Å; L589-L720 HydrophobicContact CD2-CD1 3.91Å; L589-L720 HydrophobicContact CD2-CD2 3.86Å; L589-L720 HydrophobicContact CD2-CG 3.78Å; L589-L720 HydrophobicContact CG-CD1 4.47Å; A697-L720 HydrophobicContact CB-CB 4.29Å; S717-L720 PolarHBondContact O-N 3.38Å; S717-L720 PolarHBondContact OG-N 2.92Å; L720-G723 PolarHBondContact O-N 3.43Å; L720-L724 VanDerWaalsContact O-CB 3.29Å; L720-L724 WeakPolarHBondContact O-CB 3.48Å; L720-L724 PolarHBondContact O-N 2.77Å
721	R	95.4	Very high	94.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.3	-161.3	177.7	176.3	114.1	0.5	111.5	A697 Y716 S717 I719 A725 D941 Q945 F947	A697-R721 HydrophobicContact CB-CB 3.86Å; A697-R721 HydrophobicContact CB-CG 4.14Å; Y716-R721 VanDerWaalsContact CE2-NH1 3.26Å; S717-R721 WeakPolarHBondContact O-CB 3.03Å; S717-R721 PolarHBondContact O-N 3.4Å; I719-R721 VanDerWaalsContact C-N 3.34Å; R721-A725 WeakPolarHBondContact O-CB 3.47Å; R721-A725 PolarHBondContact O-N 3.14Å; R721-D941 VanDerWaalsContact CD-OD2 3.3Å; R721-D941 WeakPolarHBondContact CD-OD2 3Å; R721-D941 WeakPolarHBondContact CG-OD2 3.36Å; R721-D941 IonicContact CZ-OD1 3.6Å; R721-D941 VanDerWaalsContact CZ-OD1 3.27Å; R721-D941 IonicContact CZ-OD2 3.01Å; R721-D941 VanDerWaalsContact NE-CG 3.25Å; R721-D941 IonicContact NE-OD1 2.87Å; R721-D941 PolarHBondContact NE-OD1 3.5Å; R721-D941 IonicContact NE-OD2 3.46Å; R721-D941 PolarHBondContact NE-OD2 3.27Å; R721-D941 IonicContact NH2-OD1 3.29Å; R721-D941 PolarHBondContact NH2-OD1 2.85Å; R721-Q945 PolarHBondContact NH2-O 3.37Å; R721-F947 HydrophobicContact CG-CE1 3.89Å; R721-F947 HydrophobicContact CG-CE2 4.45Å; R721-F947 HydrophobicContact CG-CZ 3.48Å; R721-F947 VanDerWaalsContact CG-CZ 3.48Å
722	Y	96.8	Very high	94.9	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-49	173.1	176.2	-99.2	0	0	0	112.3	T568 V569 F598 I602 L718 L724 A725 A726 C938 L942	T568-Y722 PolarHBondContact OG1-OH 2.97Å; V569-Y722 HydrophobicContact CG2-CE1 4.03Å; V569-Y722 WeakPolarHBondContact CG2-OH 3.4Å; F598-Y722 AromaticContact CE1-CD1 3.95Å; F598-Y722 HydrophobicContact CE1-CD1 3.95Å; F598-Y722 HydrophobicContact CE1-CG 4.23Å; F598-Y722 AromaticContact CZ-CD1 3.64Å; F598-Y722 HydrophobicContact CZ-CD1 3.64Å; F598-Y722 HydrophobicContact CZ-CE1 4.12Å; F598-Y722 HydrophobicContact CZ-CG 4.37Å; I602-Y722 HydrophobicContact CD1-CD1 3.85Å; I602-Y722 HydrophobicContact CD1-CD2 3.5Å; I602-Y722 VanDerWaalsContact CD1-CD2 3.5Å; I602-Y722 HydrophobicContact CD1-CE1 4.02Å; I602-Y722 HydrophobicContact CD1-CE2 3.69Å; I602-Y722 HydrophobicContact CD1-CG 3.56Å; I602-Y722 HydrophobicContact CG1-CD2 4.3Å; I602-Y722 HydrophobicContact CG1-CE1 4.37Å; I602-Y722 HydrophobicContact CG1-CE2 3.98Å; I602-Y722 HydrophobicContact CG2-CD2 4.34Å; I602-Y722 HydrophobicContact CG2-CE2 3.86Å; L718-Y722 WeakPolarHBondContact O-CB 3.31Å; L718-Y722 PolarHBondContact O-N 2.92Å; Y722-L724 VanDerWaalsContact C-N 3.33Å; Y722-L724 PolarHBondContact O-N 3.48Å; Y722-A725 PolarHBondContact O-N 2.65Å; Y722-A726 HydrophobicContact CE1-CB 4.43Å; Y722-A726 VanDerWaalsContact O-CB 3.31Å; Y722-A726 WeakPolarHBondContact O-CB 3.4Å; Y722-A726 PolarHBondContact O-N 2.67Å; Y722-C938 HydrophobicContact CD2-CB 3.65Å; Y722-C938 HydrophobicContact CE2-CB 3.68Å; Y722-L942 HydrophobicContact CD2-CD1 4.35Å
723	G	96.2	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-44.5	-179.2	0	0	0	0	0	112.3	I719 L720 T727	I719-G723 PolarHBondContact O-N 2.59Å; L720-G723 PolarHBondContact O-N 3.43Å; G723-T727 WeakPolarHBondContact O-CB 3.06Å; G723-T727 PolarHBondContact O-N 2.77Å; G723-T727 VanDerWaalsContact O-N 3.08Å; G723-T727 PolarHBondContact O-OG1 2.85Å
724	L	96.4	Very high	95.5	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-53	175.9	177.3	68	0	0	0	111.7	L576 L688 F693 L696 L720 Y722 T727 L728	L576-L724 HydrophobicContact CD1-CB 4.33Å; L576-L724 HydrophobicContact CD2-CB 4.44Å; L688-L724 HydrophobicContact CD2-CD2 3.66Å; L688-L724 HydrophobicContact CD2-CG 3.88Å; F693-L724 HydrophobicContact CB-CD1 4.45Å; F693-L724 HydrophobicContact CB-CD2 4.32Å; F693-L724 WeakPolarHBondContact O-CD2 3.4Å; L696-L724 HydrophobicContact CB-CD2 4.39Å; L696-L724 HydrophobicContact CD1-CD1 4.29Å; L720-L724 VanDerWaalsContact O-CB 3.29Å; L720-L724 WeakPolarHBondContact O-CB 3.48Å; L720-L724 PolarHBondContact O-N 2.77Å; Y722-L724 VanDerWaalsContact C-N 3.33Å; Y722-L724 PolarHBondContact O-N 3.48Å; L724-T727 PolarHBondContact O-N 3.08Å; L724-L728 HydrophobicContact CD1-CD1 4.07Å; L724-L728 HydrophobicContact CD1-CG 4.39Å; L724-L728 HydrophobicContact CG-CD1 4.17Å; L724-L728 WeakPolarHBondContact O-CG 3.35Å; L724-L728 PolarHBondContact O-N 3.44Å
725	A	97	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-51.7	-177.8	0	0	0	0	0	111.5	R721 Y722 T727 L728 W729 F937 F947	R721-A725 WeakPolarHBondContact O-CB 3.47Å; R721-A725 PolarHBondContact O-N 3.14Å; Y722-A725 PolarHBondContact O-N 2.65Å; A725-T727 VanDerWaalsContact C-N 3.33Å; A725-T727 PolarHBondContact O-N 3.44Å; A725-L728 PolarHBondContact O-N 3.27Å; A725-W729 VanDerWaalsContact O-CD1 3.26Å; A725-W729 PolarHBondContact O-N 3.27Å; A725-F937 HydrophobicContact CB-CD1 4.43Å; A725-F937 HydrophobicContact CB-CE1 3.98Å; A725-F947 HydrophobicContact CB-CE1 4.24Å
726	A	97.3	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-39.6	-179	0	0	0	0	0	112.2	V569 Y722 W729 L730 I934	V569-A726 HydrophobicContact CG2-CB 3.84Å; Y722-A726 HydrophobicContact CE1-CB 4.43Å; Y722-A726 VanDerWaalsContact O-CB 3.31Å; Y722-A726 WeakPolarHBondContact O-CB 3.4Å; Y722-A726 PolarHBondContact O-N 2.67Å; A726-W729 PolarHBondContact O-N 2.95Å; A726-L730 WeakPolarHBondContact O-CB 3.43Å; A726-L730 VanDerWaalsContact O-CG 3.3Å; A726-L730 WeakPolarHBondContact O-CG 3.13Å; A726-L730 PolarHBondContact O-N 3.27Å; A726-I934 HydrophobicContact CB-CG2 4.19Å
727	T	96	Very high	95.9	Very high	34 Å²	34	25.5 Å²	25.5	21%	0.209	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-45.5	177.4	-57.6	0	0	0	0	111.4	L573 G723 L724 A725 W729 L730 C731	L573-T727 HydrophobicContact CD1-CG2 4.26Å; G723-T727 WeakPolarHBondContact O-CB 3.06Å; G723-T727 PolarHBondContact O-N 2.77Å; G723-T727 VanDerWaalsContact O-N 3.08Å; G723-T727 PolarHBondContact O-OG1 2.85Å; L724-T727 PolarHBondContact O-N 3.08Å; A725-T727 VanDerWaalsContact C-N 3.33Å; A725-T727 PolarHBondContact O-N 3.44Å; T727-W729 VanDerWaalsContact C-N 3.35Å; T727-W729 PolarHBondContact O-N 3.26Å; T727-L730 PolarHBondContact O-N 3.06Å; T727-C731 WeakPolarHBondContact O-CB 3.48Å; T727-C731 PolarHBondContact O-N 2.72Å; T727-C731 PolarHBondContact O-SG 2.83Å
728	L	96.8	Very high	95.8	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.12	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-44.5	176.6	-76.5	172.9	0	0	0	111.9	F687 L688 F693 L724 A725 L730 C731 I732	F687-L728 HydrophobicContact CB-CD1 4.12Å; F687-L728 HydrophobicContact CB-CD2 4.27Å; F687-L728 HydrophobicContact CG-CD2 4.48Å; L688-L728 HydrophobicContact CD2-CD1 3.52Å; L688-L728 HydrophobicContact CG-CD1 3.8Å; F693-L728 HydrophobicContact CD2-CD1 4.2Å; F693-L728 HydrophobicContact CD2-CD2 4.17Å; F693-L728 HydrophobicContact CE2-CD2 4.34Å; L724-L728 HydrophobicContact CD1-CD1 4.07Å; L724-L728 HydrophobicContact CD1-CG 4.39Å; L724-L728 HydrophobicContact CG-CD1 4.17Å; L724-L728 WeakPolarHBondContact O-CG 3.35Å; L724-L728 PolarHBondContact O-N 3.44Å; A725-L728 PolarHBondContact O-N 3.27Å; L728-L730 PolarHBondContact O-N 3.06Å; L728-C731 PolarHBondContact O-N 2.8Å; L728-I732 WeakPolarHBondContact O-CB 3.27Å; L728-I732 VanDerWaalsContact O-CG1 3.26Å; L728-I732 WeakPolarHBondContact O-CG1 3.43Å; L728-I732 PolarHBondContact O-N 2.81Å
729	W	97.6	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.7	-49.4	174.2	-90	93.7	0	0	0	111.7	Q680 V684 A725 A726 T727 A733 L930 D933 I934 F937 T954	Q680-W729 HydrophobicContact CB-CZ3 4.33Å; Q680-W729 HydrophobicContact CG-CD2 4.46Å; Q680-W729 HydrophobicContact CG-CE3 3.48Å; Q680-W729 VanDerWaalsContact CG-CE3 3.48Å; Q680-W729 HydrophobicContact CG-CH2 4.06Å; Q680-W729 HydrophobicContact CG-CZ3 3.25Å; Q680-W729 PolarHBondContact NE2-O 3.49Å; V684-W729 HydrophobicContact CG1-CG 4.45Å; V684-W729 HydrophobicContact CG2-CB 4.4Å; V684-W729 HydrophobicContact CG2-CD2 3.87Å; V684-W729 HydrophobicContact CG2-CG 3.78Å; A725-W729 VanDerWaalsContact O-CD1 3.26Å; A725-W729 PolarHBondContact O-N 3.27Å; A726-W729 PolarHBondContact O-N 2.95Å; T727-W729 VanDerWaalsContact C-N 3.35Å; T727-W729 PolarHBondContact O-N 3.26Å; W729-A733 WeakPolarHBondContact O-CB 3.36Å; W729-A733 PolarHBondContact O-N 2.91Å; W729-L930 HydrophobicContact CE3-CD1 4.01Å; W729-L930 HydrophobicContact CZ3-CD1 4.37Å; W729-D933 HydrophobicContact CH2-CB 4.34Å; W729-D933 HydrophobicContact CZ3-CB 4.13Å; W729-I934 HydrophobicContact CB-CD1 3.76Å; W729-I934 HydrophobicContact CB-CG1 3.59Å; W729-I934 HydrophobicContact CB-CG2 4.43Å; W729-I934 HydrophobicContact CD2-CG1 3.8Å; W729-I934 HydrophobicContact CE3-CG1 3.73Å; W729-I934 HydrophobicContact CG-CD1 4.47Å; W729-I934 HydrophobicContact CG-CG1 3.75Å; W729-F937 HydrophobicContact CZ2-CB 4.12Å; W729-F937 AromaticContact CZ2-CD2 3.95Å; W729-F937 HydrophobicContact CZ2-CD2 3.95Å; W729-F937 HydrophobicContact CZ2-CG 4.07Å; W729-F937 AromaticContact NE1-CD1 3.4Å; W729-F937 AromaticContact NE1-CD2 3.85Å; W729-F937 AromaticContact NE1-CE1 3.82Å; W729-F937 AromaticContact NE1-CG 3.43Å; W729-T954 HydrophobicContact CH2-CG2 4.07Å; W729-T954 HydrophobicContact CZ2-CG2 4.25Å
730	L	97.3	Very high	95.5	Very high	59 Å²	59	34.7 Å²	34.7	31%	0.309	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-43.8	-179.4	-71.4	172.5	0	0	0	112.3	F565 V569 A726 T727 L728 A733 L734 I934	F565-L730 HydrophobicContact CE1-CD2 4.45Å; F565-L730 HydrophobicContact CZ-CD1 4.25Å; F565-L730 HydrophobicContact CZ-CD2 4.23Å; V569-L730 HydrophobicContact CG1-CD1 3.96Å; A726-L730 WeakPolarHBondContact O-CB 3.43Å; A726-L730 VanDerWaalsContact O-CG 3.3Å; A726-L730 WeakPolarHBondContact O-CG 3.13Å; A726-L730 PolarHBondContact O-N 3.27Å; T727-L730 PolarHBondContact O-N 3.06Å; L728-L730 PolarHBondContact O-N 3.06Å; L730-A733 PolarHBondContact O-N 3.03Å; L730-L734 VanDerWaalsContact O-CB 3.31Å; L730-L734 WeakPolarHBondContact O-CB 3.15Å; L730-L734 PolarHBondContact O-N 3.28Å; L730-I934 HydrophobicContact CD2-CD1 3.82Å; L730-I934 HydrophobicContact CG-CD1 4.12Å
731	C	96.8	Very high	95.1	Very high	64 Å²	64	37.7 Å²	37.7	43%	0.432	20%	0.201	S	C	.	.	H	α-helix	trans	-62.7	-48.2	178.5	-72.2	0	0	0	0	111.9	T727 L728 A733 L734 L735	T727-C731 WeakPolarHBondContact O-CB 3.48Å; T727-C731 PolarHBondContact O-N 2.72Å; T727-C731 PolarHBondContact O-SG 2.83Å; L728-C731 PolarHBondContact O-N 2.8Å; C731-A733 VanDerWaalsContact C-N 3.33Å; C731-A733 PolarHBondContact O-N 3.12Å; C731-L734 PolarHBondContact O-N 2.87Å; C731-L735 WeakPolarHBondContact O-CG 3.47Å; C731-L735 PolarHBondContact O-N 2.88Å
732	I	97.4	Very high	94.9	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.082	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-40.3	179.2	-63.9	166.4	0	0	0	110.2	A683 V684 F687 L728 L735 Q736	A683-I732 HydrophobicContact CB-CD1 4.02Å; A683-I732 HydrophobicContact CB-CG2 4.04Å; V684-I732 HydrophobicContact CB-CD1 4.44Å; V684-I732 HydrophobicContact CG2-CD1 3.7Å; F687-I732 HydrophobicContact CD2-CD1 3.95Å; F687-I732 HydrophobicContact CE2-CD1 4.33Å; L728-I732 WeakPolarHBondContact O-CB 3.27Å; L728-I732 VanDerWaalsContact O-CG1 3.26Å; L728-I732 WeakPolarHBondContact O-CG1 3.43Å; L728-I732 PolarHBondContact O-N 2.81Å; I732-L735 PolarHBondContact O-N 2.78Å; I732-Q736 WeakPolarHBondContact O-CG 3.48Å; I732-Q736 PolarHBondContact O-N 2.95Å
733	A	96.2	Very high	94.5	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-40.6	177.9	0	0	0	0	0	111.9	I675 W729 L730 C731 Q736 V737 L930	I675-A733 HydrophobicContact CD1-CB 4.45Å; W729-A733 WeakPolarHBondContact O-CB 3.36Å; W729-A733 PolarHBondContact O-N 2.91Å; L730-A733 PolarHBondContact O-N 3.03Å; C731-A733 VanDerWaalsContact C-N 3.33Å; C731-A733 PolarHBondContact O-N 3.12Å; A733-Q736 PolarHBondContact O-N 2.88Å; A733-V737 WeakPolarHBondContact O-CG2 3.38Å; A733-V737 PolarHBondContact O-N 3.46Å; A733-L930 HydrophobicContact CB-CD1 3.78Å; A733-L930 HydrophobicContact CB-CD2 3.41Å; A733-L930 VanDerWaalsContact CB-CD2 3.41Å; A733-L930 HydrophobicContact CB-CG 4.24Å
734	L	95.4	Very high	94.1	Very high	105 Å²	105	50.4 Å²	50.4	55%	0.55	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.2	180	64.5	0	0	0	111.1	L730 C731 Q736 V737 I738	L730-L734 VanDerWaalsContact O-CB 3.31Å; L730-L734 WeakPolarHBondContact O-CB 3.15Å; L730-L734 PolarHBondContact O-N 3.28Å; C731-L734 PolarHBondContact O-N 2.87Å; L734-Q736 VanDerWaalsContact C-N 3.32Å; L734-Q736 PolarHBondContact O-N 2.91Å; L734-V737 PolarHBondContact O-N 2.05Å; L734-I738 HydrophobicContact CD1-CD1 4.23Å; L734-I738 HydrophobicContact CG-CD1 4.03Å; L734-I738 VanDerWaalsContact O-CG1 3.32Å; L734-I738 WeakPolarHBondContact O-CG1 3.01Å; L734-I738 PolarHBondContact O-N 3.28Å
735	L	95.8	Very high	93.7	Very high	118 Å²	118	52.2 Å²	52.2	62%	0.618	27%	0.27	S	S	*	.	H	α-helix	trans	-60.6	-41.3	175.7	-70.9	172.5	0	0	0	111.7	C731 I732 I738 F739	C731-L735 WeakPolarHBondContact O-CG 3.47Å; C731-L735 PolarHBondContact O-N 2.88Å; I732-L735 PolarHBondContact O-N 2.78Å; L735-I738 PolarHBondContact O-N 2.95Å; L735-F739 WeakPolarHBondContact O-CB 3.19Å; L735-F739 PolarHBondContact O-N 2.92Å
736	Q	94.9	Very high	93.1	Very high	11 Å²	11	59.1 Å²	59.1	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-45.8	174.9	-74.9	-164.6	55.8	0	0	112.2	I675 S676 F679 I732 A733 L734 I738 F739 F740	I675-Q736 HydrophobicContact CB-CB 4.09Å; I675-Q736 HydrophobicContact CG2-CB 3.82Å; S676-Q736 PolarHBondContact O-OE1 2.87Å; F679-Q736 HydrophobicContact CD1-CG 4.25Å; F679-Q736 HydrophobicContact CE1-CG 4.36Å; I732-Q736 WeakPolarHBondContact O-CG 3.48Å; I732-Q736 PolarHBondContact O-N 2.95Å; A733-Q736 PolarHBondContact O-N 2.88Å; L734-Q736 VanDerWaalsContact C-N 3.32Å; L734-Q736 PolarHBondContact O-N 2.91Å; Q736-I738 VanDerWaalsContact C-N 3.34Å; Q736-I738 PolarHBondContact O-N 2.82Å; Q736-F739 PolarHBondContact O-N 3.29Å; Q736-F740 HydrophobicContact CB-CD2 4.34Å; Q736-F740 WeakPolarHBondContact O-CD2 3.38Å; Q736-F740 PolarHBondContact O-N 3.34Å
737	V	92.4	Very high	92.6	Very high	52 Å²	52	66.2 Å²	66.2	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-45	178.2	170.5	0	0	0	0	110.6	I675 A733 L734 F739 F740 T741	I675-V737 HydrophobicContact CG2-CG2 3.6Å; A733-V737 WeakPolarHBondContact O-CG2 3.38Å; A733-V737 PolarHBondContact O-N 3.46Å; L734-V737 PolarHBondContact O-N 2.05Å; V737-F739 VanDerWaalsContact C-N 3.34Å; V737-F739 PolarHBondContact O-N 2.69Å; V737-F740 PolarHBondContact O-N 3.45Å; V737-T741 VanDerWaalsContact O-CB 3.31Å; V737-T741 WeakPolarHBondContact O-CB 3.23Å; V737-T741 PolarHBondContact O-N 2.86Å; V737-T741 PolarHBondContact O-OG1 3.31Å
738	I	92.6	Very high	92.1	Very high	80 Å²	80	69.3 Å²	69.3	41%	0.41	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-47	175.7	-67.6	167	0	0	0	110.2	L734 L735 Q736 V742	L734-I738 HydrophobicContact CD1-CD1 4.23Å; L734-I738 HydrophobicContact CG-CD1 4.03Å; L734-I738 VanDerWaalsContact O-CG1 3.32Å; L734-I738 WeakPolarHBondContact O-CG1 3.01Å; L734-I738 PolarHBondContact O-N 3.28Å; L735-I738 PolarHBondContact O-N 2.95Å; Q736-I738 VanDerWaalsContact C-N 3.34Å; Q736-I738 PolarHBondContact O-N 2.82Å; I738-V742 HydrophobicContact CG2-CG2 4.24Å; I738-V742 WeakPolarHBondContact O-CB 3.3Å; I738-V742 WeakPolarHBondContact O-CG2 3.48Å; I738-V742 PolarHBondContact O-N 2.75Å
739	F	92.7	Very high	91.5	Very high	109 Å²	109	71.8 Å²	71.8	48%	0.478	36%	0.361	S	S	.	.	I	π-helix	trans	-60.3	-50.2	179	178.9	-96.9	0	0	0	112.4	L735 Q736 V737 F743 Y744	L735-F739 WeakPolarHBondContact O-CB 3.19Å; L735-F739 PolarHBondContact O-N 2.92Å; Q736-F739 PolarHBondContact O-N 3.29Å; V737-F739 VanDerWaalsContact C-N 3.34Å; V737-F739 PolarHBondContact O-N 2.69Å; F739-F743 HydrophobicContact CD2-CB 4.44Å; F739-F743 HydrophobicContact CD2-CD2 4.32Å; F739-F743 HydrophobicContact CE2-CB 4.46Å; F739-F743 WeakPolarHBondContact O-CA 3.24Å; F739-F743 WeakPolarHBondContact O-CB 3.46Å; F739-F743 PolarHBondContact O-N 2.89Å; F739-Y744 PolarHBondContact O-N 2.96Å; F739-Y744 VanDerWaalsContact O-N 3.08Å
740	F	90.4	Very high	91	Very high	45 Å²	45	73.6 Å²	73.6	20%	0.197	37%	0.371	C	S	.	.	I	π-helix	trans	-68.3	-43.9	-176.8	-80.3	-69.3	0	0	0	112.1	K674 Q736 V737 Y744 E745	K674-F740 VanDerWaalsContact O-CD2 3.24Å; K674-F740 WeakPolarHBondContact O-CD2 3.39Å; K674-F740 VanDerWaalsContact O-CG 3.31Å; K674-F740 WeakPolarHBondContact O-CG 3.5Å; Q736-F740 HydrophobicContact CB-CD2 4.34Å; Q736-F740 WeakPolarHBondContact O-CD2 3.38Å; Q736-F740 PolarHBondContact O-N 3.34Å; V737-F740 PolarHBondContact O-N 3.45Å; F740-Y744 AromaticContact CD1-CD1 3.92Å; F740-Y744 HydrophobicContact CD1-CD1 3.92Å; F740-Y744 HydrophobicContact CD1-CD2 4.33Å; F740-Y744 AromaticContact CD1-CG 3.74Å; F740-Y744 HydrophobicContact CD1-CG 3.74Å; F740-Y744 HydrophobicContact CE1-CD1 4.38Å; F740-Y744 HydrophobicContact CE1-CD2 4.26Å; F740-Y744 HydrophobicContact CE1-CG 4.12Å; F740-Y744 WeakPolarHBondContact O-CB 3.49Å; F740-Y744 PolarHBondContact O-N 2.75Å; F740-E745 WeakPolarHBondContact O-CB 3.36Å; F740-E745 WeakPolarHBondContact O-CG 3.33Å; F740-E745 PolarHBondContact O-N 2.69Å
741	T	86.9	Confident	90.6	Very high	62 Å²	62	74.2 Å²	74.2	38%	0.38	37%	0.371	S	S	.	.	I	π-helix	trans	-76.5	-41.3	-177.2	-58.8	0	0	0	0	112.8	V737 E745	V737-T741 VanDerWaalsContact O-CB 3.31Å; V737-T741 WeakPolarHBondContact O-CB 3.23Å; V737-T741 PolarHBondContact O-N 2.86Å; V737-T741 PolarHBondContact O-OG1 3.31Å; T741-E745 PolarHBondContact OG1-OE1 3.24Å
742	V	89.4	Confident	90.4	Very high	79 Å²	79	71.4 Å²	71.4	48%	0.479	35%	0.352	S	S	.	.	I	π-helix	trans	-82.1	-41.7	-177	-180	0	0	0	0	111.9	I738 H746	I738-V742 HydrophobicContact CG2-CG2 4.24Å; I738-V742 WeakPolarHBondContact O-CB 3.3Å; I738-V742 WeakPolarHBondContact O-CG2 3.48Å; I738-V742 PolarHBondContact O-N 2.75Å; V742-H746 WeakPolarHBondContact O-CB 3.36Å
743	F	89.2	Confident	90	Very high	107 Å²	107	77.8 Å²	77.8	47%	0.469	38%	0.375	S	S	.	.	I	π-helix	trans	-103	-53.3	-172.8	-61.3	-86.9	0	0	0	112.5	F739 F747	F739-F743 HydrophobicContact CD2-CB 4.44Å; F739-F743 HydrophobicContact CD2-CD2 4.32Å; F739-F743 HydrophobicContact CE2-CB 4.46Å; F739-F743 WeakPolarHBondContact O-CA 3.24Å; F739-F743 WeakPolarHBondContact O-CB 3.46Å; F739-F743 PolarHBondContact O-N 2.89Å; F743-F747 HydrophobicContact CD1-CD2 4.48Å; F743-F747 HydrophobicContact CD1-CE2 4.31Å; F743-F747 WeakPolarHBondContact O-CB 3.48Å; F743-F747 WeakPolarHBondContact O-CD2 3.19Å; F743-F747 PolarHBondContact O-N 3.17Å
744	Y	87.9	Confident	89.8	Confident	84 Å²	84	81.6 Å²	81.6	33%	0.329	39%	0.392	S	S	.	.	I	π-helix	trans	-70.7	-47.5	-170.9	-171	-89.7	0	0	0	113	F739 F740 H746 V748 K749	F739-Y744 PolarHBondContact O-N 2.96Å; F739-Y744 VanDerWaalsContact O-N 3.08Å; F740-Y744 AromaticContact CD1-CD1 3.92Å; F740-Y744 HydrophobicContact CD1-CD1 3.92Å; F740-Y744 HydrophobicContact CD1-CD2 4.33Å; F740-Y744 AromaticContact CD1-CG 3.74Å; F740-Y744 HydrophobicContact CD1-CG 3.74Å; F740-Y744 HydrophobicContact CE1-CD1 4.38Å; F740-Y744 HydrophobicContact CE1-CD2 4.26Å; F740-Y744 HydrophobicContact CE1-CG 4.12Å; F740-Y744 WeakPolarHBondContact O-CB 3.49Å; F740-Y744 PolarHBondContact O-N 2.75Å; Y744-H746 VanDerWaalsContact C-N 3.34Å; Y744-V748 HydrophobicContact CD2-CB 4.01Å; Y744-V748 HydrophobicContact CD2-CG1 4.24Å; Y744-V748 HydrophobicContact CD2-CG2 4.1Å; Y744-V748 HydrophobicContact CE2-CB 4.1Å; Y744-V748 HydrophobicContact CE2-CG1 3.82Å; Y744-V748 HydrophobicContact CE2-CG2 4.48Å; Y744-V748 HydrophobicContact CG-CB 4.29Å; Y744-V748 CarbonylContact O-C 3.55Å; Y744-V748 WeakPolarHBondContact O-CA 3.25Å; Y744-V748 VanDerWaalsContact O-CB 3.26Å; Y744-V748 WeakPolarHBondContact O-CB 3.02Å; Y744-V748 PolarHBondContact O-N 3.01Å; Y744-K749 HydrophobicContact CE1-CB 4.14Å; Y744-K749 PolarHBondContact O-N 2.84Å
745	E	87.1	Confident	89.8	Confident	46 Å²	46	76.9 Å²	76.9	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-38.5	179.5	-74.6	168.5	-144.3	0	0	111.4	F740 T741 Y923	F740-E745 WeakPolarHBondContact O-CB 3.36Å; F740-E745 WeakPolarHBondContact O-CG 3.33Å; F740-E745 PolarHBondContact O-N 2.69Å; T741-E745 PolarHBondContact OG1-OE1 3.24Å; E745-Y923 PolarHBondContact OE1-OH 3.25Å
746	H	85.5	Confident	89.7	Confident	145 Å²	145	71.4 Å²	71.4	67%	0.671	34%	0.339	S	S	*	.	H	α-helix	trans	-77.4	-42.8	-177.4	-163.5	74.8	0	0	0	113.5	V742 Y744	V742-H746 WeakPolarHBondContact O-CB 3.36Å; Y744-H746 VanDerWaalsContact C-N 3.34Å
747	F	85.7	Confident	89.5	Confident	150 Å²	150	73.5 Å²	73.5	66%	0.658	35%	0.35	S	S	*	.	H	α-helix	trans	-103.9	-20.5	-172.7	-61.5	-73.4	0	0	0	114.7	F743	F743-F747 HydrophobicContact CD1-CD2 4.48Å; F743-F747 HydrophobicContact CD1-CE2 4.31Å; F743-F747 WeakPolarHBondContact O-CB 3.48Å; F743-F747 WeakPolarHBondContact O-CD2 3.19Å; F743-F747 PolarHBondContact O-N 3.17Å
748	V	86.9	Confident	89.5	Confident	99 Å²	99	72.5 Å²	72.5	60%	0.6	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-66.7	-173.1	-172.7	0	0	0	0	111.6	Y744	Y744-V748 HydrophobicContact CD2-CB 4.01Å; Y744-V748 HydrophobicContact CD2-CG1 4.24Å; Y744-V748 HydrophobicContact CD2-CG2 4.1Å; Y744-V748 HydrophobicContact CE2-CB 4.1Å; Y744-V748 HydrophobicContact CE2-CG1 3.82Å; Y744-V748 HydrophobicContact CE2-CG2 4.48Å; Y744-V748 HydrophobicContact CG-CB 4.29Å; Y744-V748 CarbonylContact O-C 3.55Å; Y744-V748 WeakPolarHBondContact O-CA 3.25Å; Y744-V748 VanDerWaalsContact O-CB 3.26Å; Y744-V748 WeakPolarHBondContact O-CB 3.02Å; Y744-V748 PolarHBondContact O-N 3.01Å
749	K	84.4	Confident	89.6	Confident	75 Å²	75	68.7 Å²	68.7	33%	0.326	32%	0.324	S	S	.	.			trans	-164.5	113.9	-169.2	-171.5	157.5	-162.6	170.2	0	113.2	Y744 K751	Y744-K749 HydrophobicContact CE1-CB 4.14Å; Y744-K749 PolarHBondContact O-N 2.84Å; K749-K751 HydrophobicContact CD-CD 4.19Å; K749-K751 HydrophobicContact CG-CD 4.23Å; K749-K751 HydrophobicContact CG-CG 4.38Å
750	D	87	Confident	89.5	Confident	38 Å²	38	63.7 Å²	63.7	20%	0.203	30%	0.302	C	S	.	.			trans	-93.3	107.8	163.3	-175.9	-15.4	0	0	0	110.5	I752 R753 Q754	D750-I752 PolarHBondContact OD1-N 2.95Å; D750-R753 HydrophobicContact CB-CB 4.06Å; D750-R753 VanDerWaalsContact CG-CB 3.49Å; D750-R753 PolarHBondContact OD1-N 3.32Å; D750-R753 VanDerWaalsContact OD2-CB 3.28Å; D750-R753 WeakPolarHBondContact OD2-CB 3.4Å; D750-Q754 VanDerWaalsContact O-CB 3.3Å; D750-Q754 WeakPolarHBondContact O-CB 3.44Å; D750-Q754 VanDerWaalsContact O-CD 3.29Å; D750-Q754 WeakPolarHBondContact O-CG 3.24Å; D750-Q754 PolarHBondContact O-N 3.16Å; D750-Q754 VanDerWaalsContact O-N 3.15Å
751	K	88.9	Confident	89.5	Confident	71 Å²	71	63.8 Å²	63.8	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-31	-179.2	-73.3	-70.1	-169.5	164.2	0	113.6	L669 I672 K749 F755	L669-K751 HydrophobicContact CD2-CB 4.1Å; I672-K751 HydrophobicContact CD1-CG 4.45Å; K749-K751 HydrophobicContact CD-CD 4.19Å; K749-K751 HydrophobicContact CG-CD 4.23Å; K749-K751 HydrophobicContact CG-CG 4.38Å; K751-F755 PolarHBondContact O-N 2.69Å
752	I	91.1	Very high	89.7	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-75.9	-47	-177.1	-62.5	-59.3	0	0	0	108.9	D750 F755 V756 H915 F917 L921 Y923	D750-I752 PolarHBondContact OD1-N 2.95Å; I752-F755 WeakPolarHBondContact O-CB 3.21Å; I752-F755 PolarHBondContact O-N 3.08Å; I752-V756 PolarHBondContact O-N 2.04Å; I752-H915 HydrophobicContact CG2-CB 3.48Å; I752-H915 VanDerWaalsContact CG2-CB 3.48Å; I752-F917 HydrophobicContact CG2-CE1 3.75Å; I752-F917 HydrophobicContact CG2-CE2 4.33Å; I752-F917 HydrophobicContact CG2-CZ 3.5Å; I752-F917 VanDerWaalsContact CG2-CZ 3.5Å; I752-L921 HydrophobicContact CD1-CD1 4.09Å; I752-Y923 HydrophobicContact CD1-CD1 4.08Å; I752-Y923 HydrophobicContact CD1-CE1 4.45Å; I752-Y923 HydrophobicContact CD1-CG 4.14Å; I752-Y923 HydrophobicContact CG1-CD1 3.8Å; I752-Y923 HydrophobicContact CG1-CE1 3.68Å; I752-Y923 HydrophobicContact CG1-CE2 4.42Å; I752-Y923 HydrophobicContact CG1-CG 4.22Å
753	R	90.5	Very high	89.9	Confident	149 Å²	149	57.7 Å²	57.7	56%	0.562	27%	0.269	S	S	*	.	H	α-helix	trans	-64.1	-42.3	176.4	-172.8	173.8	-180	170.3	3.4	112.7	D750 F755 V756 D757	D750-R753 HydrophobicContact CB-CB 4.06Å; D750-R753 VanDerWaalsContact CG-CB 3.49Å; D750-R753 PolarHBondContact OD1-N 3.32Å; D750-R753 VanDerWaalsContact OD2-CB 3.28Å; D750-R753 WeakPolarHBondContact OD2-CB 3.4Å; R753-F755 PolarHBondContact O-N 3.25Å; R753-V756 WeakPolarHBondContact O-CB 3.33Å; R753-V756 PolarHBondContact O-N 3.38Å; R753-D757 PolarHBondContact O-N 3.03Å
754	Q	91.8	Very high	90.1	Very high	82 Å²	82	52.6 Å²	52.6	38%	0.383	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-31.2	176.3	-79.2	172.4	5.8	0	0	113.7	D750 L758	D750-Q754 VanDerWaalsContact O-CB 3.3Å; D750-Q754 WeakPolarHBondContact O-CB 3.44Å; D750-Q754 VanDerWaalsContact O-CD 3.29Å; D750-Q754 WeakPolarHBondContact O-CG 3.24Å; D750-Q754 PolarHBondContact O-N 3.16Å; D750-Q754 VanDerWaalsContact O-N 3.15Å; Q754-L758 VanDerWaalsContact O-CB 3.28Å; Q754-L758 WeakPolarHBondContact O-CB 3.25Å; Q754-L758 PolarHBondContact O-N 3.26Å
755	F	94.6	Very high	90.5	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-38.8	175.5	-179.1	-102	0	0	0	112.2	V662 E665 W666 L669 K751 I752 R753 L758 C759 V766 I778 F917	V662-F755 HydrophobicContact CG1-CE2 4.08Å; V662-F755 HydrophobicContact CG1-CZ 4.01Å; E665-F755 HydrophobicContact CB-CD2 4.1Å; E665-F755 HydrophobicContact CB-CE2 4.25Å; W666-F755 HydrophobicContact CB-CE2 4Å; W666-F755 HydrophobicContact CB-CZ 4.02Å; W666-F755 HydrophobicContact CD2-CZ 4.38Å; W666-F755 HydrophobicContact CE3-CD1 4.33Å; W666-F755 AromaticContact CE3-CE1 3.55Å; W666-F755 HydrophobicContact CE3-CE1 3.55Å; W666-F755 HydrophobicContact CE3-CE2 4.35Å; W666-F755 AromaticContact CE3-CZ 3.57Å; W666-F755 HydrophobicContact CE3-CZ 3.57Å; W666-F755 AromaticContact CZ3-CE1 3.97Å; W666-F755 HydrophobicContact CZ3-CE1 3.97Å; W666-F755 HydrophobicContact CZ3-CZ 4.42Å; L669-F755 HydrophobicContact CD1-CB 3.63Å; L669-F755 HydrophobicContact CD1-CD1 4.03Å; L669-F755 HydrophobicContact CD1-CD2 3.57Å; L669-F755 HydrophobicContact CD1-CE2 4.27Å; L669-F755 HydrophobicContact CD1-CG 3.44Å; L669-F755 VanDerWaalsContact CD1-CG 3.44Å; K751-F755 PolarHBondContact O-N 2.69Å; I752-F755 WeakPolarHBondContact O-CB 3.21Å; I752-F755 PolarHBondContact O-N 3.08Å; R753-F755 PolarHBondContact O-N 3.25Å; F755-L758 WeakPolarHBondContact O-CB 3.28Å; F755-L758 PolarHBondContact O-N 3.39Å; F755-C759 PolarHBondContact O-N 3.35Å; F755-C759 PolarHBondContact O-SG 3.14Å; F755-V766 HydrophobicContact CE1-CG2 4.37Å; F755-V766 HydrophobicContact CZ-CG2 4.28Å; F755-I778 HydrophobicContact CD1-CD1 4.16Å; F755-I778 HydrophobicContact CE1-CD1 3.82Å; F755-F917 HydrophobicContact CD1-CE2 4.33Å; F755-F917 HydrophobicContact CD1-CZ 4.28Å
756	V	93.7	Very high	90.9	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-46.7	174.3	179.7	0	0	0	0	110.2	I752 R753 L758 C759 S760 I778 Q818 T819 F917	I752-V756 PolarHBondContact O-N 2.04Å; R753-V756 WeakPolarHBondContact O-CB 3.33Å; R753-V756 PolarHBondContact O-N 3.38Å; V756-L758 VanDerWaalsContact C-N 3.29Å; V756-L758 PolarHBondContact O-N 3.21Å; V756-C759 WeakPolarHBondContact O-CB 3.23Å; V756-C759 PolarHBondContact O-N 2.84Å; V756-S760 PolarHBondContact O-N 2.96Å; V756-I778 HydrophobicContact CB-CG2 4.41Å; V756-I778 HydrophobicContact CG1-CG2 4.07Å; V756-I778 HydrophobicContact CG2-CG2 4.18Å; V756-Q818 HydrophobicContact CG1-CB 3.64Å; V756-Q818 HydrophobicContact CG1-CG 4.42Å; V756-T819 HydrophobicContact CG1-CG2 4.18Å; V756-T819 HydrophobicContact CG2-CG2 3.71Å; V756-F917 HydrophobicContact CG2-CE1 3.83Å; V756-F917 HydrophobicContact CG2-CZ 4.12Å
757	D	91	Very high	91.3	Very high	54 Å²	54	40.1 Å²	40.1	29%	0.289	19%	0.192	S	C	.	.	H	α-helix	trans	-57.4	-44.8	174.6	-73.3	-38.1	0	0	0	111.3	R753 C759 S760 V761 R809	R753-D757 PolarHBondContact O-N 3.03Å; D757-C759 VanDerWaalsContact C-N 3.33Å; D757-C759 PolarHBondContact O-N 2.81Å; D757-S760 PolarHBondContact O-N 2.9Å; D757-S760 VanDerWaalsContact O-N 3.17Å; D757-S760 PolarHBondContact O-OG 2.76Å; D757-V761 WeakPolarHBondContact O-CG2 3.34Å; D757-V761 PolarHBondContact O-N 3.1Å; D757-R809 IonicContact OD1-NH1 2.65Å; D757-R809 PolarHBondContact OD1-NH1 2.96Å
758	L	93	Very high	91.8	Very high	32 Å²	32	33 Å²	33	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-41.8	178.2	175.8	60.7	0	0	0	112.7	F661 V662 E665 Q754 F755 V756 S760 V761 S762	F661-L758 HydrophobicContact CD1-CD1 3.65Å; F661-L758 HydrophobicContact CD1-CD2 3.73Å; F661-L758 HydrophobicContact CD1-CG 4.15Å; F661-L758 HydrophobicContact CE1-CD1 3.34Å; F661-L758 HydrophobicContact CE1-CD2 3.47Å; F661-L758 VanDerWaalsContact CE1-CD2 3.47Å; F661-L758 HydrophobicContact CE1-CG 3.99Å; V662-L758 HydrophobicContact CG2-CG 4.5Å; E665-L758 HydrophobicContact CB-CD2 3.86Å; E665-L758 HydrophobicContact CG-CD2 3.61Å; Q754-L758 VanDerWaalsContact O-CB 3.28Å; Q754-L758 WeakPolarHBondContact O-CB 3.25Å; Q754-L758 PolarHBondContact O-N 3.26Å; F755-L758 WeakPolarHBondContact O-CB 3.28Å; F755-L758 PolarHBondContact O-N 3.39Å; V756-L758 VanDerWaalsContact C-N 3.29Å; V756-L758 PolarHBondContact O-N 3.21Å; L758-S760 VanDerWaalsContact C-N 3.26Å; L758-S760 PolarHBondContact O-N 2.97Å; L758-V761 PolarHBondContact O-N 2.78Å; L758-S762 WeakPolarHBondContact CD1-OG 3.28Å; L758-S762 WeakPolarHBondContact O-CB 3.24Å; L758-S762 PolarHBondContact O-N 3.41Å; L758-S762 PolarHBondContact O-OG 2.97Å
759	C	93.6	Very high	92.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.4	-43.8	177.1	-69.1	0	0	0	0	110.7	F755 V756 D757 S762 N763 I764 I778 G780	F755-C759 PolarHBondContact O-N 3.35Å; F755-C759 PolarHBondContact O-SG 3.14Å; V756-C759 WeakPolarHBondContact O-CB 3.23Å; V756-C759 PolarHBondContact O-N 2.84Å; D757-C759 VanDerWaalsContact C-N 3.33Å; D757-C759 PolarHBondContact O-N 2.81Å; C759-S762 PolarHBondContact O-N 3.03Å; C759-N763 PolarHBondContact O-N 3.17Å; C759-I764 CarbonylContact C-O 3.6Å; C759-I764 VanDerWaalsContact CB-O 3.3Å; C759-I764 WeakPolarHBondContact CB-O 3.37Å; C759-I764 PolarHBondContact O-N 2.04Å; C759-I778 HydrophobicContact CB-CG2 4.27Å; C759-G780 VanDerWaalsContact O-O 3.05Å
760	S	90.7	Very high	92.4	Very high	3 Å²	3	26 Å²	26	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-68.3	-42.2	179.5	69.9	0	0	0	0	114.4	V756 D757 L758 S762 N763 S782 R809	V756-S760 PolarHBondContact O-N 2.96Å; D757-S760 PolarHBondContact O-N 2.9Å; D757-S760 VanDerWaalsContact O-N 3.17Å; D757-S760 PolarHBondContact O-OG 2.76Å; L758-S760 VanDerWaalsContact C-N 3.26Å; L758-S760 PolarHBondContact O-N 2.97Å; S760-S762 VanDerWaalsContact C-N 3.3Å; S760-S762 PolarHBondContact O-N 3.01Å; S760-N763 PolarHBondContact O-N 3.02Å; S760-S782 WeakPolarHBondContact O-CB 3.41Å; S760-R809 PolarHBondContact OG-NH1 3.35Å
761	V	90.3	Very high	92.6	Very high	48 Å²	48	25.4 Å²	25.4	29%	0.291	12%	0.123	S	C	.	.	H	α-helix	trans	-68.9	-32.3	176.4	176.7	0	0	0	0	111.2	D757 L758 N763 A787 M794	D757-V761 WeakPolarHBondContact O-CG2 3.34Å; D757-V761 PolarHBondContact O-N 3.1Å; L758-V761 PolarHBondContact O-N 2.78Å; V761-N763 VanDerWaalsContact C-N 3.29Å; V761-N763 PolarHBondContact O-N 2.87Å; V761-A787 VanDerWaalsContact O-CB 3.26Å; V761-A787 WeakPolarHBondContact O-CB 3.06Å; V761-M794 HydrophobicContact CG1-CE 4.3Å; V761-M794 HydrophobicContact CG1-SD 4.28Å
762	S	91.2	Very high	92.7	Very high	11 Å²	11	27.1 Å²	27.1	8%	0.077	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.3	179	-51.6	0	0	0	0	113.6	R658 L758 C759 S760 I764	R658-S762 WeakPolarHBondContact CD-O 3.47Å; R658-S762 PolarHBondContact NH1-O 2.81Å; L758-S762 WeakPolarHBondContact CD1-OG 3.28Å; L758-S762 WeakPolarHBondContact O-CB 3.24Å; L758-S762 PolarHBondContact O-N 3.41Å; L758-S762 PolarHBondContact O-OG 2.97Å; C759-S762 PolarHBondContact O-N 3.03Å; S760-S762 VanDerWaalsContact C-N 3.3Å; S760-S762 PolarHBondContact O-N 3.01Å; S762-I764 VanDerWaalsContact C-N 3.29Å; S762-I764 PolarHBondContact O-N 2.72Å
763	N	93.2	Very high	92.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	38.1	-176	-159.2	29.7	0	0	0	113.4	W630 E631 C759 S760 V761 G780 S782 G785 A787	W630-N763 WeakPolarHBondContact CB-OD1 3.35Å; W630-N763 PolarHBondContact N-O 3.46Å; E631-N763 PolarHBondContact OE2-ND2 3.38Å; C759-N763 PolarHBondContact O-N 3.17Å; S760-N763 PolarHBondContact O-N 3.02Å; V761-N763 VanDerWaalsContact C-N 3.29Å; V761-N763 PolarHBondContact O-N 2.87Å; N763-G780 CarbonylContact C-O 3.55Å; N763-G780 WeakPolarHBondContact CA-O 3.27Å; N763-S782 PolarHBondContact OD1-N 3.29Å; N763-G785 PolarHBondContact ND2-O 2.94Å; N763-A787 HydrophobicContact CB-CB 3.57Å
764	I	94	Very high	92.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.1	-177.5	-66.8	171.2	0	0	0	110	L627 I628 R658 T659 V662 C759 S762 G780	L627-I764 HydrophobicContact CB-CG2 4.15Å; L627-I764 HydrophobicContact CD2-CG2 4.48Å; I628-I764 CarbonylContact O-C 3.52Å; I628-I764 VanDerWaalsContact O-CA 3.28Å; I628-I764 WeakPolarHBondContact O-CA 3.48Å; R658-I764 HydrophobicContact CB-CD1 3.66Å; T659-I764 VanDerWaalsContact CA-CD1 3.49Å; T659-I764 VanDerWaalsContact N-CD1 3.3Å; V662-I764 HydrophobicContact CG1-CG2 4.37Å; V662-I764 HydrophobicContact CG2-CB 4.32Å; V662-I764 HydrophobicContact CG2-CD1 4.01Å; C759-I764 CarbonylContact C-O 3.6Å; C759-I764 VanDerWaalsContact CB-O 3.3Å; C759-I764 WeakPolarHBondContact CB-O 3.37Å; C759-I764 PolarHBondContact O-N 2.04Å; S762-I764 VanDerWaalsContact C-N 3.29Å; S762-I764 PolarHBondContact O-N 2.72Å; I764-G780 PolarHBondContact N-O 2.91Å; I764-G780 WeakPolarHBondContact O-CA 3.4Å
765	S	95.5	Very high	92.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	151.4	169.4	-66.7	0	0	0	0	111.3	I628 W630 Y777 I778 G780	I628-S765 PolarHBondContact N-O 3.32Å; I628-S765 PolarHBondContact O-N 3.31Å; W630-S765 PolarHBondContact NE1-OG 3.42Å; S765-Y777 PolarHBondContact OG-OH 3.01Å; S765-Y777 VanDerWaalsContact OG-OH 3.05Å; S765-I778 CarbonylContact C-O 3.55Å; S765-I778 VanDerWaalsContact CA-O 3.26Å; S765-I778 WeakPolarHBondContact CA-O 3.35Å; S765-I778 VanDerWaalsContact CB-O 3.25Å; S765-I778 WeakPolarHBondContact CB-O 3.36Å; S765-G780 PolarHBondContact OG-N 3.47Å
766	V	95.6	Very high	92.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.4	178.1	-172.5	0	0	0	0	109.4	I625 L627 V662 F755 L768 Y777 I778	I625-V766 HydrophobicContact CD1-CG1 4.02Å; I625-V766 HydrophobicContact CG1-CG1 4.08Å; L627-V766 HydrophobicContact CD2-CB 4.36Å; L627-V766 HydrophobicContact CD2-CG1 4.04Å; L627-V766 HydrophobicContact CD2-CG2 3.79Å; V662-V766 HydrophobicContact CG1-CG2 4.27Å; F755-V766 HydrophobicContact CE1-CG2 4.37Å; F755-V766 HydrophobicContact CZ-CG2 4.28Å; V766-L768 HydrophobicContact CG1-CD1 4.4Å; V766-L768 HydrophobicContact CG1-CD2 4.11Å; V766-L768 HydrophobicContact CG1-CG 4Å; V766-Y777 WeakPolarHBondContact O-CA 3.39Å; V766-I778 HydrophobicContact CB-CB 4.13Å; V766-I778 HydrophobicContact CB-CD1 4.27Å; V766-I778 HydrophobicContact CB-CG1 4.4Å; V766-I778 PolarHBondContact N-O 3.31Å; V766-I778 PolarHBondContact O-N 2.81Å
767	L	95.4	Very high	93	Very high	13 Å²	13	16.6 Å²	16.6	7%	0.068	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125	172.5	-177.1	64.9	0	0	0	109.5	F626 F769 Y777 L871	F626-L767 PolarHBondContact N-O 2.83Å; F626-L767 PolarHBondContact O-N 3.18Å; L767-F769 HydrophobicContact CD1-CE2 4.45Å; L767-F769 HydrophobicContact CD1-CZ 4.18Å; L767-F769 HydrophobicContact CD2-CE2 3.64Å; L767-F769 HydrophobicContact CD2-CZ 3.83Å; L767-F769 HydrophobicContact CG-CE2 3.87Å; L767-F769 HydrophobicContact CG-CZ 4.08Å; L767-Y777 HydrophobicContact CB-CD2 4.35Å; L767-Y777 HydrophobicContact CD1-CD2 4.05Å; L767-L871 HydrophobicContact CD2-CD1 4.08Å; L767-L871 HydrophobicContact CD2-CD2 3.9Å
768	L	94.9	Very high	93.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.9	-176.2	-62	160.4	0	0	0	108.6	V623 D624 I625 W666 V766 G775 Y776 F917	V623-L768 HydrophobicContact CG1-CB 4.5Å; V623-L768 HydrophobicContact CG1-CD2 4.29Å; D624-L768 CarbonylContact O-C 3.59Å; D624-L768 WeakPolarHBondContact O-CA 3.28Å; I625-L768 HydrophobicContact CB-CD2 3.75Å; I625-L768 HydrophobicContact CD1-CD2 3.64Å; I625-L768 HydrophobicContact CG1-CD2 3.59Å; W666-L768 HydrophobicContact CH2-CD1 3.46Å; W666-L768 VanDerWaalsContact CH2-CD1 3.46Å; W666-L768 HydrophobicContact CH2-CD2 3.73Å; W666-L768 HydrophobicContact CH2-CG 4.25Å; W666-L768 HydrophobicContact CZ2-CD1 4.22Å; W666-L768 HydrophobicContact CZ2-CD2 3.62Å; W666-L768 HydrophobicContact CZ3-CD1 4.02Å; V766-L768 HydrophobicContact CG1-CD1 4.4Å; V766-L768 HydrophobicContact CG1-CD2 4.11Å; V766-L768 HydrophobicContact CG1-CG 4Å; L768-G775 CarbonylContact O-C 3.5Å; L768-G775 WeakPolarHBondContact O-CA 3.35Å; L768-Y776 HydrophobicContact CB-CD2 4.49Å; L768-Y776 PolarHBondContact N-O 2.89Å; L768-Y776 PolarHBondContact O-N 3.46Å; L768-F917 HydrophobicContact CD1-CB 4.25Å
769	F	93.7	Very high	93.4	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.022	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111	167.4	-66.7	-73.2	0	0	0	110.4	V623 D624 L767 I824 R829 Y832	V623-F769 WeakPolarHBondContact CG1-O 3.46Å; D624-F769 HydrophobicContact CB-CB 4.13Å; D624-F769 PolarHBondContact N-O 2.97Å; D624-F769 PolarHBondContact O-N 2.87Å; L767-F769 HydrophobicContact CD1-CE2 4.45Å; L767-F769 HydrophobicContact CD1-CZ 4.18Å; L767-F769 HydrophobicContact CD2-CE2 3.64Å; L767-F769 HydrophobicContact CD2-CZ 3.83Å; L767-F769 HydrophobicContact CG-CE2 3.87Å; L767-F769 HydrophobicContact CG-CZ 4.08Å; F769-I824 HydrophobicContact CD1-CD1 4.31Å; F769-I824 HydrophobicContact CE1-CD1 3.37Å; F769-I824 HydrophobicContact CE1-CG1 3.86Å; F769-I824 HydrophobicContact CE1-CG2 4.1Å; F769-I824 HydrophobicContact CZ-CD1 3.54Å; F769-I824 HydrophobicContact CZ-CG1 4.42Å; F769-I824 HydrophobicContact CZ-CG2 4.38Å; F769-R829 VanDerWaalsContact CG-NH1 3.29Å; F769-Y832 HydrophobicContact CD2-CE1 4.17Å; F769-Y832 HydrophobicContact CE2-CD1 4.41Å; F769-Y832 HydrophobicContact CE2-CD2 4.43Å; F769-Y832 HydrophobicContact CE2-CE1 4.14Å; F769-Y832 HydrophobicContact CE2-CE2 4.18Å
770	S	91.8	Very high	93.4	Very high	23 Å²	23	13.1 Å²	13.1	16%	0.161	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-30.2	176.5	67.2	0	0	0	0	112.3	F774	S770-F774 PolarHBondContact N-O 2.94Å; S770-F774 WeakPolarHBondContact OG-CD1 3.17Å; S770-F774 PolarHBondContact OG-O 2.78Å
771	N	90.8	Very high	93.4	Very high	26 Å²	26	17 Å²	17	14%	0.139	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	171.1	168.6	-56.5	-64.3	0	0	0	107.9	R538 C773 F774	R538-N771 HydrophobicContact CB-CB 4.1Å; N771-C773 PolarHBondContact O-N 2.86Å; N771-F774 HydrophobicContact CB-CB 4.38Å; N771-F774 PolarHBondContact N-O 2.8Å; N771-F774 PolarHBondContact O-N 2.62Å
772	R	89.8	Confident	93.4	Very high	106 Å²	106	15.4 Å²	15.4	40%	0.4	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-51.4	-174.1	-173.9	178.8	-168.9	175	-0.5	114.2	I539 R829 E833	I539-R772 HydrophobicContact CG1-CB 4.45Å; I539-R772 HydrophobicContact CG2-CB 4.47Å; R772-R829 HydrophobicContact CG-CG 3.9Å; R772-R829 WeakPolarHBondContact O-CD 3.35Å; R772-R829 VanDerWaalsContact O-CZ 3.31Å; R772-R829 PolarHBondContact O-NE 2.88Å; R772-R829 VanDerWaalsContact O-NE 3.11Å; R772-R829 PolarHBondContact O-NH1 2.8Å; R772-E833 IonicContact CZ-OE1 3.93Å; R772-E833 IonicContact CZ-OE2 3.32Å; R772-E833 IonicContact NE-OE1 2.92Å; R772-E833 PolarHBondContact NE-OE1 2.96Å; R772-E833 IonicContact NE-OE2 2.88Å; R772-E833 IonicContact NH2-OE1 3.79Å; R772-E833 IonicContact NH2-OE2 3.27Å; R772-E833 PolarHBondContact NH2-OE2 3.14Å
773	C	91.3	Very high	93.2	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.034	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	13.1	-176.5	-62.9	0	0	0	0	112.8	R538 A540 N771 A823 I824 N826	R538-C773 CarbonylContact O-C 3.42Å; R538-C773 WeakPolarHBondContact O-CA 3.32Å; R538-C773 WeakPolarHBondContact O-CB 3.21Å; R538-C773 PolarHBondContact O-N 3.21Å; A540-C773 HydrophobicContact CB-CB 4.28Å; N771-C773 PolarHBondContact O-N 2.86Å; C773-A823 WeakPolarHBondContact O-CA 3.06Å; C773-I824 HydrophobicContact CB-CG1 4.03Å; C773-I824 WeakPolarHBondContact O-CG1 3.48Å; C773-I824 PolarHBondContact O-N 3.11Å; C773-N826 PolarHBondContact SG-OD1 3.45Å; C773-N826 VanDerWaalsContact SG-OD1 3.4Å
774	F	92.8	Very high	92.8	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.3	-176.9	179.7	-92	0	0	0	112.9	R538 S770 N771 Q821 V822 A823 E899	R538-F774 HydrophobicContact CB-CB 3.62Å; R538-F774 HydrophobicContact CB-CG 4.23Å; R538-F774 HydrophobicContact CG-CB 3.6Å; R538-F774 HydrophobicContact CG-CD1 4.16Å; R538-F774 HydrophobicContact CG-CD2 4.07Å; R538-F774 HydrophobicContact CG-CG 3.67Å; S770-F774 PolarHBondContact N-O 2.94Å; S770-F774 WeakPolarHBondContact OG-CD1 3.17Å; S770-F774 PolarHBondContact OG-O 2.78Å; N771-F774 HydrophobicContact CB-CB 4.38Å; N771-F774 PolarHBondContact N-O 2.8Å; N771-F774 PolarHBondContact O-N 2.62Å; F774-Q821 HydrophobicContact CE2-CB 4.4Å; F774-Q821 HydrophobicContact CZ-CB 4.31Å; F774-V822 CarbonylContact C-O 3.59Å; F774-V822 WeakPolarHBondContact CA-O 3.35Å; F774-V822 WeakPolarHBondContact CD2-O 3.41Å; F774-A823 HydrophobicContact CD2-CB 4.32Å; F774-E899 VanDerWaalsContact CE2-OE1 3.3Å; F774-E899 WeakPolarHBondContact CE2-OE1 3.15Å
775	G	93.8	Very high	92.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-152.6	-173.8	0	0	0	0	0	114.2	L768 V822	L768-G775 CarbonylContact O-C 3.5Å; L768-G775 WeakPolarHBondContact O-CA 3.35Å; G775-V822 PolarHBondContact N-O 2.89Å; G775-V822 PolarHBondContact O-N 3.33Å
776	Y	95.5	Very high	91.6	Very high	16 Å²	16	24.1 Å²	24.1	6%	0.063	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.4	-175.7	-51.8	-84.6	0	0	0	109.7	L768 F820 Q821 S916 F917 V920	L768-Y776 HydrophobicContact CB-CD2 4.49Å; L768-Y776 PolarHBondContact N-O 2.89Å; L768-Y776 PolarHBondContact O-N 3.46Å; Y776-F820 CarbonylContact C-O 3.49Å; Y776-F820 WeakPolarHBondContact CA-O 3.24Å; Y776-Q821 HydrophobicContact CD1-CB 4.45Å; Y776-Q821 HydrophobicContact CD1-CG 3.89Å; Y776-Q821 HydrophobicContact CE1-CG 3.86Å; Y776-S916 VanDerWaalsContact CE1-OG 3.26Å; Y776-S916 WeakPolarHBondContact CE1-OG 3.48Å; Y776-F917 HydrophobicContact CD1-CB 3.97Å; Y776-F917 HydrophobicContact CD2-CB 4.21Å; Y776-F917 HydrophobicContact CG-CB 3.69Å; Y776-V920 HydrophobicContact CD2-CG2 4.03Å; Y776-V920 HydrophobicContact CE2-CG2 3.77Å
777	Y	95.9	Very high	91.1	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.4	174.3	177	-106.1	0	0	0	109.3	I628 S765 V766 L767 H779 L811 F820 V822 I875 F909	I628-Y777 HydrophobicContact CD1-CE2 4.09Å; S765-Y777 PolarHBondContact OG-OH 3.01Å; S765-Y777 VanDerWaalsContact OG-OH 3.05Å; V766-Y777 WeakPolarHBondContact O-CA 3.39Å; L767-Y777 HydrophobicContact CB-CD2 4.35Å; L767-Y777 HydrophobicContact CD1-CD2 4.05Å; Y777-H779 HydrophobicContact CD1-CB 4.41Å; Y777-H779 HydrophobicContact CE1-CB 3.73Å; Y777-H779 AromaticContact CE1-ND1 3.82Å; Y777-H779 AromaticContact CZ-ND1 3.96Å; Y777-H779 PolarHBondContact OH-ND1 2.85Å; Y777-L811 HydrophobicContact CE1-CD1 4.42Å; Y777-L811 HydrophobicContact CE1-CD2 4.25Å; Y777-F820 AromaticContact CD1-CD2 3.98Å; Y777-F820 HydrophobicContact CD1-CD2 3.98Å; Y777-F820 PolarHBondContact N-O 2.93Å; Y777-F820 PolarHBondContact O-N 3.06Å; Y777-V822 VanDerWaalsContact CB-CG2 3.42Å; Y777-I875 HydrophobicContact CE1-CD1 4.16Å; Y777-I875 HydrophobicContact CE2-CD1 4.02Å; Y777-I875 HydrophobicContact CE2-CG1 4.4Å; Y777-F909 HydrophobicContact CD1-CD2 4.22Å; Y777-F909 AromaticContact CD1-CE2 3.73Å; Y777-F909 HydrophobicContact CD1-CE2 3.73Å; Y777-F909 HydrophobicContact CE1-CE2 4.32Å; Y777-F909 AromaticContact CG-CE2 3.96Å; Y777-F909 HydrophobicContact CG-CE2 3.96Å
778	I	96.5	Very high	90.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.3	173.8	-51.4	177.9	0	0	0	106.2	F755 V756 C759 S765 V766 G780 T819 F917	F755-I778 HydrophobicContact CD1-CD1 4.16Å; F755-I778 HydrophobicContact CE1-CD1 3.82Å; V756-I778 HydrophobicContact CB-CG2 4.41Å; V756-I778 HydrophobicContact CG1-CG2 4.07Å; V756-I778 HydrophobicContact CG2-CG2 4.18Å; C759-I778 HydrophobicContact CB-CG2 4.27Å; S765-I778 CarbonylContact C-O 3.55Å; S765-I778 VanDerWaalsContact CA-O 3.26Å; S765-I778 WeakPolarHBondContact CA-O 3.35Å; S765-I778 VanDerWaalsContact CB-O 3.25Å; S765-I778 WeakPolarHBondContact CB-O 3.36Å; V766-I778 HydrophobicContact CB-CB 4.13Å; V766-I778 HydrophobicContact CB-CD1 4.27Å; V766-I778 HydrophobicContact CB-CG1 4.4Å; V766-I778 PolarHBondContact N-O 3.31Å; V766-I778 PolarHBondContact O-N 2.81Å; I778-G780 PolarHBondContact O-N 2.93Å; I778-T819 HydrophobicContact CG1-CG2 4.26Å; I778-T819 HydrophobicContact CG2-CG2 4.28Å; I778-F917 HydrophobicContact CD1-CD1 4.1Å; I778-F917 HydrophobicContact CD1-CD2 4.04Å; I778-F917 HydrophobicContact CD1-CE1 4.09Å; I778-F917 HydrophobicContact CD1-CE2 4.04Å; I778-F917 HydrophobicContact CD1-CG 4.07Å; I778-F917 HydrophobicContact CD1-CZ 4.04Å; I778-F917 HydrophobicContact CG1-CD1 4.43Å
779	H	94.6	Very high	89.9	Confident	13 Å²	13	28 Å²	28	6%	0.06	15%	0.146	C	C	.	.			trans	-76.9	116.2	177.2	-171.8	67.4	0	0	0	109.9	Y777 R781 R809 L811 Q818 F820	Y777-H779 HydrophobicContact CD1-CB 4.41Å; Y777-H779 HydrophobicContact CE1-CB 3.73Å; Y777-H779 AromaticContact CE1-ND1 3.82Å; Y777-H779 AromaticContact CZ-ND1 3.96Å; Y777-H779 PolarHBondContact OH-ND1 2.85Å; H779-R781 VanDerWaalsContact CE1-CB 3.44Å; H779-R781 WeakPolarHBondContact CE1-CB 3.28Å; H779-R809 PolarHBondContact CD2-O 2.84Å; H779-L811 HydrophobicContact CB-CB 4.27Å; H779-Q818 WeakPolarHBondContact CB-O 3.01Å; H779-Q818 PolarHBondContact N-O 3.44Å; H779-F820 HydrophobicContact CB-CE2 4.33Å
780	G	93.4	Very high	89.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.			trans	-128	25.8	179.4	0	0	0	0	0	113.2	C759 N763 I764 S765 I778 S782	C759-G780 VanDerWaalsContact O-O 3.05Å; N763-G780 CarbonylContact C-O 3.55Å; N763-G780 WeakPolarHBondContact CA-O 3.27Å; I764-G780 PolarHBondContact N-O 2.91Å; I764-G780 WeakPolarHBondContact O-CA 3.4Å; S765-G780 PolarHBondContact OG-N 3.47Å; I778-G780 PolarHBondContact O-N 2.93Å; G780-S782 PolarHBondContact O-N 2.92Å
781	R	92	Very high	89.4	Confident	86 Å²	86	39.2 Å²	39.2	33%	0.325	20%	0.201	S	C	.	.			trans	-70.9	123.1	172.4	-171.3	176.5	179.5	165.4	-0.4	108.6	W630 H779 D876	W630-R781 HydrophobicContact CB-CG 4.41Å; W630-R781 HydrophobicContact CD2-CB 4.28Å; W630-R781 HydrophobicContact CD2-CG 4.09Å; W630-R781 HydrophobicContact CE3-CG 4.48Å; W630-R781 HydrophobicContact CG-CB 4.18Å; W630-R781 HydrophobicContact CG-CG 4.04Å; H779-R781 VanDerWaalsContact CE1-CB 3.44Å; H779-R781 WeakPolarHBondContact CE1-CB 3.28Å; R781-D876 IonicContact CZ-OD1 2.91Å; R781-D876 IonicContact NH1-OD1 3.07Å; R781-D876 PolarHBondContact NH1-OD1 3.44Å; R781-D876 IonicContact NH1-OD2 3.54Å
782	S	89.6	Confident	89.3	Confident	13 Å²	13	44.7 Å²	44.7	9%	0.091	23%	0.225	C	C	.	.			trans	-69.7	136.7	-179.9	175.3	0	0	0	0	110.6	S760 N763 G780 H784 G785	S760-S782 WeakPolarHBondContact O-CB 3.41Å; N763-S782 PolarHBondContact OD1-N 3.29Å; G780-S782 PolarHBondContact O-N 2.92Å; S782-H784 PolarHBondContact O-N 3.08Å; S782-H784 PolarHBondContact OG-N 3.43Å; S782-G785 PolarHBondContact O-N 3.44Å; S782-G785 VanDerWaalsContact O-N 3.11Å
783	V	86.6	Confident	89.2	Confident	49 Å²	49	43 Å²	43	30%	0.297	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.1	174.7	-59.9	0	0	0	0	112.4	E801 C806 G807 Q808 R809	V783-E801 HydrophobicContact CG2-CG 4.37Å; V783-C806 HydrophobicContact CG2-CB 4.33Å; V783-G807 WeakPolarHBondContact CG1-O 3.48Å; V783-Q808 WeakPolarHBondContact CG1-O 3.41Å; V783-R809 HydrophobicContact CG1-CB 4.49Å; V783-R809 HydrophobicContact CG1-CG 4.15Å
784	H	85.4	Confident	89	Confident	41 Å²	41	45.4 Å²	45.4	19%	0.19	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.2	177.4	-55.5	-67.8	0	0	0	113.1	S782 H786 N797 E801	S782-H784 PolarHBondContact O-N 3.08Å; S782-H784 PolarHBondContact OG-N 3.43Å; H784-H786 PolarHBondContact O-N 3.38Å; H784-N797 PolarHBondContact CE1-O 2.75Å; H784-N797 PolarHBondContact ND1-OD1 2.82Å; H784-N797 WeakPolarHBondContact NE2-CB 3.18Å; H784-N797 PolarHBondContact NE2-O 3.35Å; H784-E801 WeakPolarHBondContact NE2-CG 3.39Å; H784-E801 IonicContact NE2-OE1 3.04Å
785	G	80	Confident	88.8	Confident	38 Å²	38	48.7 Å²	48.7	39%	0.392	26%	0.257	S	S	.	.	S	Bend	trans	76.8	-22.3	178.3	0	0	0	0	0	115.6	N763 S782	N763-G785 PolarHBondContact ND2-O 2.94Å; S782-G785 PolarHBondContact O-N 3.44Å; S782-G785 VanDerWaalsContact O-N 3.11Å
786	H	83.4	Confident	88.6	Confident	67 Å²	67	52.6 Å²	52.6	31%	0.31	28%	0.278	S	S	.	.			trans	-134.5	142	178.1	-66.4	-69.7	0	0	0	110.9	E631 H784 T789	E631-H786 IonicContact OE1-CE1 2.78Å; E631-H786 IonicContact OE1-CG 2.91Å; E631-H786 IonicContact OE1-ND1 3.62Å; E631-H786 PolarHBondContact OE1-ND1 2.98Å; E631-H786 WeakPolarHBondContact OE2-CA 3.33Å; H784-H786 PolarHBondContact O-N 3.38Å; H786-T789 HydrophobicContact CB-CG2 4.44Å
787	A	85.9	Confident	88.3	Confident	8 Å²	8	52.7 Å²	52.7	7%	0.066	28%	0.279	C	S	.	.			trans	-110.8	-32	174.4	0	0	0	0	0	113.3	E631 V761 N763 T789	E631-A787 PolarHBondContact OE2-N 3.25Å; V761-A787 VanDerWaalsContact O-CB 3.26Å; V761-A787 WeakPolarHBondContact O-CB 3.06Å; N763-A787 HydrophobicContact CB-CB 3.57Å; A787-T789 VanDerWaalsContact C-N 3.31Å; A787-T789 PolarHBondContact O-N 2.61Å; A787-T789 PolarHBondContact O-OG1 2.8Å
788	D	81.8	Confident	87.9	Confident	56 Å²	56	56.5 Å²	56.5	30%	0.299	30%	0.3	S	S	.	.			trans	-75.5	83.9	177.2	-73.2	-39	0	0	0	110.3	R634 S655 R658	R634-D788 PolarHBondContact NH2-O 2.93Å; S655-D788 WeakPolarHBondContact CB-OD2 3.49Å; R658-D788 WeakPolarHBondContact CD-OD1 3.46Å; R658-D788 WeakPolarHBondContact CG-OD1 3.47Å; R658-D788 IonicContact CZ-OD2 2.65Å; R658-D788 VanDerWaalsContact NE-CG 3.26Å; R658-D788 IonicContact NE-OD1 2.75Å; R658-D788 PolarHBondContact NE-OD1 3.36Å; R658-D788 IonicContact NE-OD2 2.67Å; R658-D788 PolarHBondContact NE-OD2 2.92Å; R658-D788 IonicContact NH2-OD2 2.91Å
789	T	83.7	Confident	87.6	Confident	32 Å²	32	62 Å²	62	20%	0.196	32%	0.323	C	S	.	.			trans	-129.2	163.1	-174.8	58.2	0	0	0	0	110.8	H786 A787 E793	H786-T789 HydrophobicContact CB-CG2 4.44Å; A787-T789 VanDerWaalsContact C-N 3.31Å; A787-T789 PolarHBondContact O-N 2.61Å; A787-T789 PolarHBondContact O-OG1 2.8Å; T789-E793 VanDerWaalsContact CB-OE2 3.29Å; T789-E793 WeakPolarHBondContact CB-OE2 3.31Å; T789-E793 HydrophobicContact CG2-CG 3.89Å; T789-E793 WeakPolarHBondContact CG2-OE2 3.27Å
790	N	86.8	Confident	87.3	Confident	92 Å²	92	66.9 Å²	66.9	49%	0.492	34%	0.341	S	S	.	.			trans	-76.1	168.7	174.5	70.4	15.7	0	0	0	110.7	E792 E793 M794	N790-E792 VanDerWaalsContact C-N 3.26Å; N790-E792 PolarHBondContact O-N 3.29Å; N790-E792 PolarHBondContact OD1-N 3.16Å; N790-E793 PolarHBondContact O-N 3.03Å; N790-E793 WeakPolarHBondContact OD1-CB 3.46Å; N790-E793 PolarHBondContact OD1-N 3.08Å; N790-M794 PolarHBondContact O-N 2.93Å
791	M	86.9	Confident	87	Confident	171 Å²	171	68.8 Å²	68.8	84%	0.842	35%	0.35	S	S	*	.	H	α-helix	trans	-58.4	-37.3	-177	-175.5	-179.3	-69.4	0	0	113.1	S795	M791-S795 WeakPolarHBondContact O-CB 3.43Å; M791-S795 PolarHBondContact O-N 2.92Å
792	E	90.3	Very high	86.7	Confident	140 Å²	140	75.2 Å²	75.2	65%	0.654	37%	0.374	S	S	*	.	H	α-helix	trans	-67.1	-48	180	-176.4	-178.9	-172.7	0	0	111.7	N790 S795 N796	N790-E792 VanDerWaalsContact C-N 3.26Å; N790-E792 PolarHBondContact O-N 3.29Å; N790-E792 PolarHBondContact OD1-N 3.16Å; E792-S795 PolarHBondContact O-N 3.03Å; E792-N796 WeakPolarHBondContact O-CB 3.42Å; E792-N796 PolarHBondContact O-N 3.07Å; E792-N796 PolarHBondContact O-ND2 3Å
793	E	87.4	Confident	86.7	Confident	71 Å²	71	79.5 Å²	79.5	33%	0.332	39%	0.393	S	S	.	.	H	α-helix	trans	-63.8	-42.6	178.1	-175.6	177	-168	0	0	111.1	T789 N790 S795 N796 N797	T789-E793 VanDerWaalsContact CB-OE2 3.29Å; T789-E793 WeakPolarHBondContact CB-OE2 3.31Å; T789-E793 HydrophobicContact CG2-CG 3.89Å; T789-E793 WeakPolarHBondContact CG2-OE2 3.27Å; N790-E793 PolarHBondContact O-N 3.03Å; N790-E793 WeakPolarHBondContact OD1-CB 3.46Å; N790-E793 PolarHBondContact OD1-N 3.08Å; E793-S795 PolarHBondContact O-N 3.09Å; E793-N796 PolarHBondContact O-N 2.88Å; E793-N797 WeakPolarHBondContact O-CB 2.98Å; E793-N797 PolarHBondContact O-N 3.37Å; E793-N797 PolarHBondContact O-ND2 3.04Å
794	M	87.3	Confident	86.6	Confident	55 Å²	55	82 Å²	82	27%	0.271	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-43.8	174.3	-174.8	63.9	79.7	0	0	112	V761 N790 N796 N797 L798	V761-M794 HydrophobicContact CG1-CE 4.3Å; V761-M794 HydrophobicContact CG1-SD 4.28Å; N790-M794 PolarHBondContact O-N 2.93Å; M794-N796 VanDerWaalsContact C-N 3.34Å; M794-N796 PolarHBondContact O-N 3.3Å; M794-N797 PolarHBondContact O-N 2.79Å; M794-L798 HydrophobicContact CG-CD1 4.4Å; M794-L798 WeakPolarHBondContact O-CG 3.03Å; M794-L798 PolarHBondContact O-N 2.94Å
795	S	88.7	Confident	86.5	Confident	72 Å²	72	85 Å²	85	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-40.5	176.6	-175.3	0	0	0	0	112	M791 E792 E793 K799	M791-S795 WeakPolarHBondContact O-CB 3.43Å; M791-S795 PolarHBondContact O-N 2.92Å; E792-S795 PolarHBondContact O-N 3.03Å; E793-S795 PolarHBondContact O-N 3.09Å; S795-K799 WeakPolarHBondContact O-CB 3.5Å; S795-K799 PolarHBondContact O-N 3.04Å
796	N	89.3	Confident	86.6	Confident	82 Å²	82	84.9 Å²	84.9	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-39	176.8	-73.7	-25.7	0	0	0	111.9	E792 E793 M794 K799 R800	E792-N796 WeakPolarHBondContact O-CB 3.42Å; E792-N796 PolarHBondContact O-N 3.07Å; E792-N796 PolarHBondContact O-ND2 3Å; E793-N796 PolarHBondContact O-N 2.88Å; M794-N796 VanDerWaalsContact C-N 3.34Å; M794-N796 PolarHBondContact O-N 3.3Å; N796-K799 PolarHBondContact O-N 2.03Å; N796-R800 WeakPolarHBondContact O-CG 3.45Å; N796-R800 PolarHBondContact O-N 2.84Å
797	N	88.6	Confident	86.5	Confident	18 Å²	18	84.1 Å²	84.1	10%	0.096	43%	0.433	C	S	.	.	H	α-helix	trans	-60.7	-49.6	174.9	-76.7	-15.2	0	0	0	111.6	H784 E793 M794 K799 R800 E801	H784-N797 PolarHBondContact CE1-O 2.75Å; H784-N797 PolarHBondContact ND1-OD1 2.82Å; H784-N797 WeakPolarHBondContact NE2-CB 3.18Å; H784-N797 PolarHBondContact NE2-O 3.35Å; E793-N797 WeakPolarHBondContact O-CB 2.98Å; E793-N797 PolarHBondContact O-N 3.37Å; E793-N797 PolarHBondContact O-ND2 3.04Å; M794-N797 PolarHBondContact O-N 2.79Å; N797-K799 VanDerWaalsContact C-N 3.3Å; N797-K799 PolarHBondContact O-N 3.41Å; N797-R800 WeakPolarHBondContact O-CB 3.44Å; N797-R800 PolarHBondContact O-N 3.41Å; N797-R800 VanDerWaalsContact O-N 3.14Å; N797-E801 PolarHBondContact O-N 2.85Å
798	L	87.1	Confident	86.6	Confident	83 Å²	83	87.9 Å²	87.9	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-36.3	176.1	-67.4	172.8	0	0	0	112.7	M794 E801 R802	M794-L798 HydrophobicContact CG-CD1 4.4Å; M794-L798 WeakPolarHBondContact O-CG 3.03Å; M794-L798 PolarHBondContact O-N 2.94Å; L798-E801 PolarHBondContact O-N 2.89Å; L798-R802 PolarHBondContact O-N 2.96Å
799	K	89.8	Confident	86.9	Confident	114 Å²	114	87.5 Å²	87.5	50%	0.496	44%	0.444	S	S	.	.	H	α-helix	trans	-64.1	-43.5	174.6	-174.7	178.7	175	-177.3	0	111.3	S795 N796 N797 E801 R802 E803	S795-K799 WeakPolarHBondContact O-CB 3.5Å; S795-K799 PolarHBondContact O-N 3.04Å; N796-K799 PolarHBondContact O-N 2.03Å; N797-K799 VanDerWaalsContact C-N 3.3Å; N797-K799 PolarHBondContact O-N 3.41Å; K799-E801 PolarHBondContact O-N 2.65Å; K799-R802 PolarHBondContact O-N 3.34Å; K799-E803 WeakPolarHBondContact CE-OE1 3.4Å; K799-E803 IonicContact NZ-OE1 3.93Å; K799-E803 WeakPolarHBondContact O-CG 3.44Å; K799-E803 PolarHBondContact O-N 2.91Å
800	R	88.7	Confident	87.1	Confident	116 Å²	116	86.5 Å²	86.5	44%	0.438	44%	0.44	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176.9	-72.3	178.1	65.4	-168	-1.3	112.6	N796 N797 E803 S804 L805	N796-R800 WeakPolarHBondContact O-CG 3.45Å; N796-R800 PolarHBondContact O-N 2.84Å; N797-R800 WeakPolarHBondContact O-CB 3.44Å; N797-R800 PolarHBondContact O-N 3.41Å; N797-R800 VanDerWaalsContact O-N 3.14Å; R800-E803 PolarHBondContact O-N 3.24Å; R800-S804 PolarHBondContact O-N 2.79Å; R800-S804 VanDerWaalsContact O-N 3.14Å; R800-L805 HydrophobicContact CB-CB 4.25Å; R800-L805 HydrophobicContact CG-CB 4.47Å; R800-L805 PolarHBondContact NH2-O 3.35Å; R800-L805 PolarHBondContact O-N 3.15Å
801	E	88	Confident	87.2	Confident	40 Å²	40	83.5 Å²	83.5	19%	0.187	42%	0.423	C	S	.	.	H	α-helix	trans	-63.8	-45.5	172.6	-71.8	-176.4	155	0	0	111.6	V783 H784 N797 L798 K799 E803 S804 C806 R809	V783-E801 HydrophobicContact CG2-CG 4.37Å; H784-E801 WeakPolarHBondContact NE2-CG 3.39Å; H784-E801 IonicContact NE2-OE1 3.04Å; N797-E801 PolarHBondContact O-N 2.85Å; L798-E801 PolarHBondContact O-N 2.89Å; K799-E801 PolarHBondContact O-N 2.65Å; E801-E803 VanDerWaalsContact C-N 3.28Å; E801-E803 PolarHBondContact O-N 3.35Å; E801-S804 PolarHBondContact O-N 3.21Å; E801-C806 VanDerWaalsContact CG-SG 3.57Å; E801-R809 IonicContact OE1-CZ 3.68Å; E801-R809 IonicContact OE1-NE 3.08Å; E801-R809 PolarHBondContact OE1-NE 3.29Å; E801-R809 VanDerWaalsContact OE1-NE 3.08Å; E801-R809 IonicContact OE1-NH2 3.35Å; E801-R809 PolarHBondContact OE1-NH2 3.12Å; E801-R809 IonicContact OE2-CZ 3.72Å; E801-R809 IonicContact OE2-NE 3.63Å; E801-R809 IonicContact OE2-NH2 2.66Å; E801-R809 PolarHBondContact OE2-NH2 2.66Å
802	R	85.6	Confident	87.3	Confident	222 Å²	222	77.9 Å²	77.9	84%	0.838	40%	0.399	S	S	*	.	H	α-helix	trans	-60.3	-37.5	177.1	176.8	-179.3	-82.9	159.2	-5.7	112.5	L798 K799 S804	L798-R802 PolarHBondContact O-N 2.96Å; K799-R802 PolarHBondContact O-N 3.34Å; R802-S804 VanDerWaalsContact C-N 3.27Å
803	E	89.8	Confident	86.9	Confident	102 Å²	102	76.6 Å²	76.6	48%	0.477	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.1	178.4	-67.1	172.9	179.4	0	0	112.8	K799 R800 E801 L805	K799-E803 WeakPolarHBondContact CE-OE1 3.4Å; K799-E803 IonicContact NZ-OE1 3.93Å; K799-E803 WeakPolarHBondContact O-CG 3.44Å; K799-E803 PolarHBondContact O-N 2.91Å; R800-E803 PolarHBondContact O-N 3.24Å; E801-E803 VanDerWaalsContact C-N 3.28Å; E801-E803 PolarHBondContact O-N 3.35Å; E803-L805 HydrophobicContact CB-CD1 3.87Å; E803-L805 HydrophobicContact CB-CG 3.87Å; E803-L805 PolarHBondContact O-N 3.46Å; E803-L805 WeakPolarHBondContact OE2-CD1 3.44Å
804	S	83.4	Confident	86.7	Confident	103 Å²	103	80.3 Å²	80.3	72%	0.72	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.6	-177	-55.3	0	0	0	0	114	R800 E801 R802 C806	R800-S804 PolarHBondContact O-N 2.79Å; R800-S804 VanDerWaalsContact O-N 3.14Å; E801-S804 PolarHBondContact O-N 3.21Å; R802-S804 VanDerWaalsContact C-N 3.27Å; S804-C806 VanDerWaalsContact C-N 3.28Å; S804-C806 PolarHBondContact O-N 3.02Å
805	L	84.3	Confident	86.7	Confident	103 Å²	103	78.9 Å²	78.9	54%	0.539	42%	0.42	S	S	.	.			trans	-90.1	17.1	178.7	-63.1	174.7	0	0	0	113.2	R800 E803	R800-L805 HydrophobicContact CB-CB 4.25Å; R800-L805 HydrophobicContact CG-CB 4.47Å; R800-L805 PolarHBondContact NH2-O 3.35Å; R800-L805 PolarHBondContact O-N 3.15Å; E803-L805 HydrophobicContact CB-CD1 3.87Å; E803-L805 HydrophobicContact CB-CG 3.87Å; E803-L805 PolarHBondContact O-N 3.46Å; E803-L805 WeakPolarHBondContact OE2-CD1 3.44Å
806	C	82.1	Confident	86.6	Confident	35 Å²	35	80.2 Å²	80.2	24%	0.236	42%	0.421	C	S	.	.	S	Bend	trans	-143.7	167.2	176.2	59.9	0	0	0	0	110.1	V783 E801 S804	V783-C806 HydrophobicContact CG2-CB 4.33Å; E801-C806 VanDerWaalsContact CG-SG 3.57Å; S804-C806 VanDerWaalsContact C-N 3.28Å; S804-C806 PolarHBondContact O-N 3.02Å
807	G	81.8	Confident	86.6	Confident	52 Å²	52	78.2 Å²	78.2	54%	0.536	41%	0.41	S	S	.	.			trans	-60.8	159.8	173.3	0	0	0	0	0	112.1	V783	V783-G807 WeakPolarHBondContact CG1-O 3.48Å
808	Q	86.8	Confident	86.8	Confident	87 Å²	87	78.1 Å²	78.1	41%	0.407	41%	0.409	S	S	.	.			trans	-70.5	157.5	172.6	-75	-173.6	-25.9	0	0	111.6	V783 G810 N814 S815 D816	V783-Q808 WeakPolarHBondContact CG1-O 3.41Å; Q808-G810 VanDerWaalsContact C-N 3.34Å; Q808-G810 PolarHBondContact O-N 2.89Å; Q808-N814 PolarHBondContact OE1-O 3.07Å; Q808-N814 VanDerWaalsContact OE1-O 3.05Å; Q808-S815 VanDerWaalsContact CB-O 3.31Å; Q808-S815 WeakPolarHBondContact CB-O 3.4Å; Q808-S815 VanDerWaalsContact OE1-CA 3.24Å; Q808-D816 WeakPolarHBondContact CB-OD1 3.25Å; Q808-D816 VanDerWaalsContact CD-OD1 3.31Å; Q808-D816 WeakPolarHBondContact CG-OD1 3.33Å; Q808-D816 PolarHBondContact NE2-OD2 3.3Å; Q808-D816 VanDerWaalsContact NE2-OD2 3.13Å
809	R	87.8	Confident	87.2	Confident	48 Å²	48	74.4 Å²	74.4	18%	0.181	39%	0.39	C	S	.	.	S	Bend	trans	-82.2	-3	-170.8	-63.3	-178.5	172.3	175	-0.5	114.9	D757 S760 H779 V783 E801 Q818	D757-R809 IonicContact OD1-NH1 2.65Å; D757-R809 PolarHBondContact OD1-NH1 2.96Å; S760-R809 PolarHBondContact OG-NH1 3.35Å; H779-R809 PolarHBondContact CD2-O 2.84Å; V783-R809 HydrophobicContact CG1-CB 4.49Å; V783-R809 HydrophobicContact CG1-CG 4.15Å; E801-R809 IonicContact OE1-CZ 3.68Å; E801-R809 IonicContact OE1-NE 3.08Å; E801-R809 PolarHBondContact OE1-NE 3.29Å; E801-R809 VanDerWaalsContact OE1-NE 3.08Å; E801-R809 IonicContact OE1-NH2 3.35Å; E801-R809 PolarHBondContact OE1-NH2 3.12Å; E801-R809 IonicContact OE2-CZ 3.72Å; E801-R809 IonicContact OE2-NE 3.63Å; E801-R809 IonicContact OE2-NH2 2.66Å; E801-R809 PolarHBondContact OE2-NH2 2.66Å; R809-Q818 HydrophobicContact CB-CG 4.36Å; R809-Q818 VanDerWaalsContact CB-NE2 3.33Å; R809-Q818 WeakPolarHBondContact O-CG 3.38Å; R809-Q818 PolarHBondContact O-NE2 3.1Å
810	G	88.9	Confident	87.4	Confident	11 Å²	11	69 Å²	69	11%	0.113	37%	0.367	C	S	.	.	S	Bend	trans	-77	166.9	-177.1	0	0	0	0	0	114.2	Q808 S815 I817	Q808-G810 VanDerWaalsContact C-N 3.34Å; Q808-G810 PolarHBondContact O-N 2.89Å; G810-S815 WeakPolarHBondContact CA-O 3.49Å; G810-S815 PolarHBondContact N-O 2.68Å; G810-I817 WeakPolarHBondContact CA-O 3.36Å
811	L	89.1	Confident	87.6	Confident	28 Å²	28	64.9 Å²	64.9	15%	0.147	35%	0.352	C	S	.	.	S	Bend	trans	-70.3	-36.7	179.5	178.9	66.3	0	0	0	112.3	Y777 H779 I817 F820 I875 Y884 F909	Y777-L811 HydrophobicContact CE1-CD1 4.42Å; Y777-L811 HydrophobicContact CE1-CD2 4.25Å; H779-L811 HydrophobicContact CB-CB 4.27Å; L811-I817 PolarHBondContact N-O 3.49Å; L811-F820 HydrophobicContact CB-CE2 3.53Å; L811-F820 HydrophobicContact CB-CZ 3.57Å; L811-F820 HydrophobicContact CD2-CD2 4.26Å; L811-F820 HydrophobicContact CD2-CE1 4.45Å; L811-F820 HydrophobicContact CD2-CE2 3.92Å; L811-F820 HydrophobicContact CD2-CZ 4.03Å; L811-F820 HydrophobicContact CG-CE2 4.39Å; L811-F820 HydrophobicContact CG-CZ 4.42Å; L811-I875 HydrophobicContact CD1-CG2 3.85Å; L811-Y884 HydrophobicContact CD2-CE2 4Å; L811-F909 HydrophobicContact CD2-CD2 4Å; L811-F909 HydrophobicContact CD2-CE2 4.38Å
812	V	88	Confident	87.9	Confident	54 Å²	54	63 Å²	63	33%	0.327	34%	0.343	S	S	.	.	S	Bend	trans	-87.1	138.4	178.6	-179.9	0	0	0	0	108.5	N814 S815 V886	V812-N814 PolarHBondContact O-N 3.24Å; V812-S815 WeakPolarHBondContact O-CB 3.44Å; V812-S815 PolarHBondContact O-N 3.19Å; V812-S815 VanDerWaalsContact O-N 3.17Å; V812-V886 HydrophobicContact CG2-CB 4.26Å; V812-V886 HydrophobicContact CG2-CG1 4.05Å; V812-V886 HydrophobicContact CG2-CG2 3.96Å
813	P	83	Confident	88.2	Confident	112 Å²	112	52.9 Å²	52.9	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	136	176.8	22.6	-34.1	0	0	0	111.2	S815	P813-S815 VanDerWaalsContact C-N 3.3Å; P813-S815 PolarHBondContact O-N 3.15Å
814	N	82.4	Confident	88.3	Confident	149 Å²	149	48.3 Å²	48.3	80%	0.797	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	33.6	-177.3	-51.2	-34.9	0	0	0	114.4	Q808 V812	Q808-N814 PolarHBondContact OE1-O 3.07Å; Q808-N814 VanDerWaalsContact OE1-O 3.05Å; V812-N814 PolarHBondContact O-N 3.24Å
815	S	86.9	Confident	88.6	Confident	25 Å²	25	43.9 Å²	43.9	18%	0.175	26%	0.255	C	S	.	.			trans	-125.1	145.7	169.8	-178.4	0	0	0	0	110.9	Q808 G810 V812 P813 I817	Q808-S815 VanDerWaalsContact CB-O 3.31Å; Q808-S815 WeakPolarHBondContact CB-O 3.4Å; Q808-S815 VanDerWaalsContact OE1-CA 3.24Å; G810-S815 WeakPolarHBondContact CA-O 3.49Å; G810-S815 PolarHBondContact N-O 2.68Å; V812-S815 WeakPolarHBondContact O-CB 3.44Å; V812-S815 PolarHBondContact O-N 3.19Å; V812-S815 VanDerWaalsContact O-N 3.17Å; P813-S815 VanDerWaalsContact C-N 3.3Å; P813-S815 PolarHBondContact O-N 3.15Å; S815-I817 WeakPolarHBondContact OG-CB 3.43Å; S815-I817 WeakPolarHBondContact OG-CG1 3.49Å; S815-I817 PolarHBondContact OG-N 2.85Å; S815-I817 VanDerWaalsContact OG-N 3.11Å
816	D	87.1	Confident	88.8	Confident	101 Å²	101	42 Å²	42	54%	0.54	25%	0.245	S	C	.	.			trans	-92.8	3.8	169.5	-71.7	-40.5	0	0	0	112.7	Q808 Q818	Q808-D816 WeakPolarHBondContact CB-OD1 3.25Å; Q808-D816 VanDerWaalsContact CD-OD1 3.31Å; Q808-D816 WeakPolarHBondContact CG-OD1 3.33Å; Q808-D816 PolarHBondContact NE2-OD2 3.3Å; Q808-D816 VanDerWaalsContact NE2-OD2 3.13Å; D816-Q818 PolarHBondContact O-N 2.88Å
817	I	90.3	Very high	89.1	Confident	39 Å²	39	46.3 Å²	46.3	20%	0.2	26%	0.257	C	S	.	.			trans	-77.4	115.8	-177.5	-59	173.1	0	0	0	110	G810 L811 S815 F820 E913	G810-I817 WeakPolarHBondContact CA-O 3.36Å; L811-I817 PolarHBondContact N-O 3.49Å; S815-I817 WeakPolarHBondContact OG-CB 3.43Å; S815-I817 WeakPolarHBondContact OG-CG1 3.49Å; S815-I817 PolarHBondContact OG-N 2.85Å; S815-I817 VanDerWaalsContact OG-N 3.11Å; I817-F820 HydrophobicContact CG2-CE1 4.19Å; I817-F820 HydrophobicContact CG2-CZ 4.01Å; I817-F820 WeakPolarHBondContact O-CZ 3.18Å; I817-E913 HydrophobicContact CD1-CG 4.43Å
818	Q	92.9	Very high	89.5	Confident	17 Å²	17	44.2 Å²	44.2	8%	0.079	23%	0.233	C	C	.	.			trans	-107.6	-19.2	-177.5	-64.7	179.8	-68.1	0	0	113.6	V756 H779 R809 D816	V756-Q818 HydrophobicContact CG1-CB 3.64Å; V756-Q818 HydrophobicContact CG1-CG 4.42Å; H779-Q818 WeakPolarHBondContact CB-O 3.01Å; H779-Q818 PolarHBondContact N-O 3.44Å; R809-Q818 HydrophobicContact CB-CG 4.36Å; R809-Q818 VanDerWaalsContact CB-NE2 3.33Å; R809-Q818 WeakPolarHBondContact O-CG 3.38Å; R809-Q818 PolarHBondContact O-NE2 3.1Å; D816-Q818 PolarHBondContact O-N 2.88Å
819	T	94.6	Very high	89.8	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	-176.1	39.1	0	0	0	0	111.8	V756 I778 D912 H915 F917	V756-T819 HydrophobicContact CG1-CG2 4.18Å; V756-T819 HydrophobicContact CG2-CG2 3.71Å; I778-T819 HydrophobicContact CG1-CG2 4.26Å; I778-T819 HydrophobicContact CG2-CG2 4.28Å; T819-D912 WeakPolarHBondContact CB-O 3.42Å; T819-D912 WeakPolarHBondContact O-CB 3.03Å; T819-D912 PolarHBondContact O-N 3.23Å; T819-D912 PolarHBondContact OG1-O 2.87Å; T819-H915 PolarHBondContact OG1-ND1 2.93Å; T819-F917 HydrophobicContact CG2-CD1 4.08Å; T819-F917 HydrophobicContact CG2-CE1 4.04Å
820	F	94.5	Very high	89.9	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.9	-176.7	-58.7	-89.8	0	0	0	111.3	Y776 Y777 H779 L811 I817 V822 V886 F909 Y910	Y776-F820 CarbonylContact C-O 3.49Å; Y776-F820 WeakPolarHBondContact CA-O 3.24Å; Y777-F820 AromaticContact CD1-CD2 3.98Å; Y777-F820 HydrophobicContact CD1-CD2 3.98Å; Y777-F820 PolarHBondContact N-O 2.93Å; Y777-F820 PolarHBondContact O-N 3.06Å; H779-F820 HydrophobicContact CB-CE2 4.33Å; L811-F820 HydrophobicContact CB-CE2 3.53Å; L811-F820 HydrophobicContact CB-CZ 3.57Å; L811-F820 HydrophobicContact CD2-CD2 4.26Å; L811-F820 HydrophobicContact CD2-CE1 4.45Å; L811-F820 HydrophobicContact CD2-CE2 3.92Å; L811-F820 HydrophobicContact CD2-CZ 4.03Å; L811-F820 HydrophobicContact CG-CE2 4.39Å; L811-F820 HydrophobicContact CG-CZ 4.42Å; I817-F820 HydrophobicContact CG2-CE1 4.19Å; I817-F820 HydrophobicContact CG2-CZ 4.01Å; I817-F820 WeakPolarHBondContact O-CZ 3.18Å; F820-V822 HydrophobicContact CB-CG2 4.4Å; F820-V886 HydrophobicContact CE1-CG1 4.05Å; F820-F909 HydrophobicContact CB-CB 4.48Å; F820-F909 HydrophobicContact CB-CD2 4.16Å; F820-F909 HydrophobicContact CD1-CB 4.25Å; F820-F909 HydrophobicContact CG-CD2 4.28Å; F820-Y910 CarbonylContact C-O 3.59Å; F820-Y910 WeakPolarHBondContact CA-O 3.15Å
821	Q	93.4	Very high	89.9	Confident	28 Å²	28	45.1 Å²	45.1	13%	0.131	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.6	162.8	-55.9	178.5	25.3	0	0	108.3	F774 Y776 Y910 D912 S916	F774-Q821 HydrophobicContact CE2-CB 4.4Å; F774-Q821 HydrophobicContact CZ-CB 4.31Å; Y776-Q821 HydrophobicContact CD1-CB 4.45Å; Y776-Q821 HydrophobicContact CD1-CG 3.89Å; Y776-Q821 HydrophobicContact CE1-CG 3.86Å; Q821-Y910 PolarHBondContact N-O 3.21Å; Q821-Y910 PolarHBondContact O-N 3.42Å; Q821-D912 HydrophobicContact CG-CB 4.19Å; Q821-S916 VanDerWaalsContact CG-OG 3.25Å; Q821-S916 WeakPolarHBondContact CG-OG 3.22Å; Q821-S916 PolarHBondContact NE2-OG 2.5Å
822	V	92.6	Very high	90	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127	-171.9	-173.4	0	0	0	0	110.3	F774 G775 Y777 F820 I824 Y908 F909	F774-V822 CarbonylContact C-O 3.59Å; F774-V822 WeakPolarHBondContact CA-O 3.35Å; F774-V822 WeakPolarHBondContact CD2-O 3.41Å; G775-V822 PolarHBondContact N-O 2.89Å; G775-V822 PolarHBondContact O-N 3.33Å; Y777-V822 VanDerWaalsContact CB-CG2 3.42Å; F820-V822 HydrophobicContact CB-CG2 4.4Å; V822-I824 HydrophobicContact CG1-CG2 3.48Å; V822-I824 VanDerWaalsContact CG1-CG2 3.48Å; V822-Y908 WeakPolarHBondContact CA-O 3.33Å; V822-F909 HydrophobicContact CB-CE1 4.43Å; V822-F909 HydrophobicContact CG1-CD1 3.77Å; V822-F909 HydrophobicContact CG1-CE1 3.41Å; V822-F909 VanDerWaalsContact CG1-CE1 3.41Å; V822-F909 HydrophobicContact CG1-CG 4.47Å; V822-F909 HydrophobicContact CG1-CZ 3.85Å; V822-F909 HydrophobicContact CG2-CD1 4.19Å; V822-F909 HydrophobicContact CG2-CD2 3.91Å; V822-F909 HydrophobicContact CG2-CE1 4.13Å; V822-F909 HydrophobicContact CG2-CE2 3.85Å; V822-F909 HydrophobicContact CG2-CG 4.08Å; V822-F909 HydrophobicContact CG2-CZ 3.96Å
823	A	92	Very high	90	Very high	10 Å²	10	43.5 Å²	43.5	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.4	166.4	0	0	0	0	0	108.4	C773 F774 P903 S907 Y908 Y910	C773-A823 WeakPolarHBondContact O-CA 3.06Å; F774-A823 HydrophobicContact CD2-CB 4.32Å; A823-P903 HydrophobicContact CB-CG 4.15Å; A823-S907 CarbonylContact O-C 3.57Å; A823-S907 WeakPolarHBondContact O-CA 3.05Å; A823-Y908 PolarHBondContact N-O 2.9Å; A823-Y908 PolarHBondContact O-N 3.25Å; A823-Y910 HydrophobicContact CB-CE2 4.31Å
824	I	91.8	Very high	90.3	Very high	5 Å²	5	45 Å²	45	3%	0.026	21%	0.214	C	C	.	.			trans	-98.5	154.7	-174.8	60.1	166.5	0	0	0	112.4	F769 C773 V822 L828 R829 S907	F769-I824 HydrophobicContact CD1-CD1 4.31Å; F769-I824 HydrophobicContact CE1-CD1 3.37Å; F769-I824 HydrophobicContact CE1-CG1 3.86Å; F769-I824 HydrophobicContact CE1-CG2 4.1Å; F769-I824 HydrophobicContact CZ-CD1 3.54Å; F769-I824 HydrophobicContact CZ-CG1 4.42Å; F769-I824 HydrophobicContact CZ-CG2 4.38Å; C773-I824 HydrophobicContact CB-CG1 4.03Å; C773-I824 WeakPolarHBondContact O-CG1 3.48Å; C773-I824 PolarHBondContact O-N 3.11Å; V822-I824 HydrophobicContact CG1-CG2 3.48Å; V822-I824 VanDerWaalsContact CG1-CG2 3.48Å; I824-L828 HydrophobicContact CB-CD2 3.86Å; I824-L828 HydrophobicContact CD1-CD2 3.61Å; I824-L828 HydrophobicContact CG1-CD2 4.34Å; I824-L828 HydrophobicContact CG2-CD2 3.86Å; I824-R829 HydrophobicContact CD1-CB 3.65Å; I824-R829 HydrophobicContact CD1-CG 4.24Å; I824-R829 HydrophobicContact CG1-CB 4.42Å; I824-S907 WeakPolarHBondContact CA-OG 3.01Å
825	T	91.3	Very high	90.4	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	18%	0.183	C	C	.	.			trans	-71.8	152.8	173.7	63.9	0	0	0	0	111.8	R827 L828 R829 P903 S907	T825-R827 PolarHBondContact O-N 3.32Å; T825-L828 PolarHBondContact O-N 3.26Å; T825-L828 PolarHBondContact OG1-N 3.37Å; T825-R829 PolarHBondContact O-N 3.43Å; T825-P903 HydrophobicContact CG2-CB 4.43Å; T825-S907 PolarHBondContact N-OG 2.81Å
826	N	88.6	Confident	90.2	Very high	64 Å²	64	39.5 Å²	39.5	34%	0.342	18%	0.182	S	C	.	.	H	α-helix	trans	-57.2	-34.6	175.6	-91.7	-25.5	0	0	0	112.6	A540 C773 R829 Q830	A540-N826 WeakPolarHBondContact CB-ND2 3.44Å; A540-N826 WeakPolarHBondContact CB-OD1 3.29Å; A540-N826 PolarHBondContact O-ND2 3.48Å; A540-N826 VanDerWaalsContact O-ND2 3.07Å; C773-N826 PolarHBondContact SG-OD1 3.45Å; C773-N826 VanDerWaalsContact SG-OD1 3.4Å; N826-R829 PolarHBondContact O-N 3.07Å; N826-Q830 VanDerWaalsContact O-CG 3.28Å; N826-Q830 WeakPolarHBondContact O-CG 3.5Å; N826-Q830 PolarHBondContact O-N 3.07Å
827	R	88.6	Confident	89.8	Confident	126 Å²	126	39.9 Å²	39.9	48%	0.475	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-46.5	178	-171.2	175.9	-179.9	-176.3	-5.5	111.7	T825 Q830 Q831 D881 M882	T825-R827 PolarHBondContact O-N 3.32Å; R827-Q830 PolarHBondContact O-N 3.02Å; R827-Q831 PolarHBondContact O-N 2.94Å; R827-D881 IonicContact CZ-OD2 2.84Å; R827-D881 VanDerWaalsContact CZ-OD2 3.3Å; R827-D881 IonicContact NH1-OD2 2.94Å; R827-D881 PolarHBondContact NH1-OD2 3.12Å; R827-D881 VanDerWaalsContact NH1-OD2 3.09Å; R827-D881 IonicContact NH2-OD2 3.27Å; R827-D881 PolarHBondContact NH2-OD2 3.23Å; R827-M882 HydrophobicContact CG-CG 4.24Å; R827-M882 HydrophobicContact CG-SD 4.34Å
828	L	90.1	Very high	89.1	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-42	177.4	-175.4	145.4	0	0	0	111.2	I824 T825 Q830 Q831 Y832 I874 M882	I824-L828 HydrophobicContact CB-CD2 3.86Å; I824-L828 HydrophobicContact CD1-CD2 3.61Å; I824-L828 HydrophobicContact CG1-CD2 4.34Å; I824-L828 HydrophobicContact CG2-CD2 3.86Å; T825-L828 PolarHBondContact O-N 3.26Å; T825-L828 PolarHBondContact OG1-N 3.37Å; L828-Q830 PolarHBondContact O-N 2.8Å; L828-Q831 PolarHBondContact O-N 3.03Å; L828-Y832 PolarHBondContact O-N 3.11Å; L828-I874 HydrophobicContact CD1-CD1 3.51Å; L828-I874 HydrophobicContact CD1-CG1 4.13Å; L828-I874 HydrophobicContact CD1-CG2 3.87Å; L828-I874 HydrophobicContact CG-CD1 3.96Å; L828-M882 HydrophobicContact CB-CB 4.47Å; L828-M882 HydrophobicContact CD1-CB 4.2Å
829	R	91.2	Very high	87.9	Confident	14 Å²	14	41.2 Å²	41.2	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-41.2	177.6	-175.9	55.3	-177.1	-162.1	3.9	112.8	D624 F769 R772 I824 T825 N826 Q831 Y832 E833	D624-R829 IonicContact OD2-CZ 3.36Å; D624-R829 IonicContact OD2-NH1 3.83Å; D624-R829 IonicContact OD2-NH2 2.59Å; D624-R829 PolarHBondContact OD2-NH2 3.36Å; F769-R829 VanDerWaalsContact CG-NH1 3.29Å; R772-R829 HydrophobicContact CG-CG 3.9Å; R772-R829 WeakPolarHBondContact O-CD 3.35Å; R772-R829 VanDerWaalsContact O-CZ 3.31Å; R772-R829 PolarHBondContact O-NE 2.88Å; R772-R829 VanDerWaalsContact O-NE 3.11Å; R772-R829 PolarHBondContact O-NH1 2.8Å; I824-R829 HydrophobicContact CD1-CB 3.65Å; I824-R829 HydrophobicContact CD1-CG 4.24Å; I824-R829 HydrophobicContact CG1-CB 4.42Å; T825-R829 PolarHBondContact O-N 3.43Å; N826-R829 PolarHBondContact O-N 3.07Å; R829-Q831 VanDerWaalsContact C-N 3.33Å; R829-Q831 PolarHBondContact O-N 3.26Å; R829-Y832 WeakPolarHBondContact O-CB 3.48Å; R829-Y832 PolarHBondContact O-N 2.87Å; R829-E833 HydrophobicContact CG-CG 4.35Å; R829-E833 WeakPolarHBondContact CG-OE1 3.39Å; R829-E833 IonicContact CZ-OE1 3.71Å; R829-E833 IonicContact NE-OE1 3.31Å; R829-E833 PolarHBondContact NE-OE1 2.89Å; R829-E833 IonicContact NH2-OE1 2.89Å; R829-E833 WeakPolarHBondContact O-CG 3.43Å; R829-E833 PolarHBondContact O-N 3.07Å
830	Q	90.1	Very high	86.4	Confident	88 Å²	88	44.8 Å²	44.8	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-39.1	177.6	-75.8	175.5	8.9	0	0	112.4	N826 R827 L828 R834	N826-Q830 VanDerWaalsContact O-CG 3.28Å; N826-Q830 WeakPolarHBondContact O-CG 3.5Å; N826-Q830 PolarHBondContact O-N 3.07Å; R827-Q830 PolarHBondContact O-N 3.02Å; L828-Q830 PolarHBondContact O-N 2.8Å; Q830-R834 VanDerWaalsContact O-CG 3.27Å; Q830-R834 WeakPolarHBondContact O-CG 3.41Å; Q830-R834 PolarHBondContact O-N 2.82Å
831	Q	89.9	Confident	84.8	Confident	63 Å²	63	54.5 Å²	54.5	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-42.2	175.7	-66.4	-65.3	-4.9	0	0	111.4	R827 L828 R829 R834 I835 F870 M882	R827-Q831 PolarHBondContact O-N 2.94Å; L828-Q831 PolarHBondContact O-N 3.03Å; R829-Q831 VanDerWaalsContact C-N 3.33Å; R829-Q831 PolarHBondContact O-N 3.26Å; Q831-R834 VanDerWaalsContact NE2-NH1 3.11Å; Q831-R834 PolarHBondContact O-N 2.03Å; Q831-I835 WeakPolarHBondContact O-CG1 3.25Å; Q831-I835 PolarHBondContact O-N 2.77Å; Q831-I835 VanDerWaalsContact O-N 3.14Å; Q831-F870 HydrophobicContact CB-CE1 4.36Å; Q831-F870 HydrophobicContact CB-CE2 4.3Å; Q831-F870 HydrophobicContact CB-CZ 3.72Å; Q831-M882 HydrophobicContact CG-SD 4.02Å
832	Y	89.9	Confident	82.7	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-49.4	173.1	178.7	-91.7	0	0	0	111.7	F769 L828 R829 R834 I835 Q836 M867 L871	F769-Y832 HydrophobicContact CD2-CE1 4.17Å; F769-Y832 HydrophobicContact CE2-CD1 4.41Å; F769-Y832 HydrophobicContact CE2-CD2 4.43Å; F769-Y832 HydrophobicContact CE2-CE1 4.14Å; F769-Y832 HydrophobicContact CE2-CE2 4.18Å; L828-Y832 PolarHBondContact O-N 3.11Å; R829-Y832 WeakPolarHBondContact O-CB 3.48Å; R829-Y832 PolarHBondContact O-N 2.87Å; Y832-R834 PolarHBondContact O-N 2.81Å; Y832-I835 PolarHBondContact O-N 3.01Å; Y832-Q836 WeakPolarHBondContact O-CB 3.47Å; Y832-Q836 PolarHBondContact O-N 3.17Å; Y832-M867 HydrophobicContact CD2-CE 3.56Å; Y832-M867 HydrophobicContact CD2-SD 3.56Å; Y832-M867 VanDerWaalsContact CD2-SD 3.56Å; Y832-M867 HydrophobicContact CE2-CE 3.66Å; Y832-M867 HydrophobicContact CE2-SD 3.79Å; Y832-M867 HydrophobicContact CG-CE 4.11Å; Y832-M867 WeakPolarHBondContact O-CE 3.33Å; Y832-L871 HydrophobicContact CD2-CD2 4.25Å; Y832-L871 HydrophobicContact CE2-CD1 4.27Å
833	E	89.1	Confident	80.4	Confident	43 Å²	43	68.7 Å²	68.7	20%	0.201	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-42.1	178.2	-75.2	171.4	-178.3	0	0	112.1	R772 R829 I835 Q836 D837	R772-E833 IonicContact CZ-OE1 3.93Å; R772-E833 IonicContact CZ-OE2 3.32Å; R772-E833 IonicContact NE-OE1 2.92Å; R772-E833 PolarHBondContact NE-OE1 2.96Å; R772-E833 IonicContact NE-OE2 2.88Å; R772-E833 IonicContact NH2-OE1 3.79Å; R772-E833 IonicContact NH2-OE2 3.27Å; R772-E833 PolarHBondContact NH2-OE2 3.14Å; R829-E833 HydrophobicContact CG-CG 4.35Å; R829-E833 WeakPolarHBondContact CG-OE1 3.39Å; R829-E833 IonicContact CZ-OE1 3.71Å; R829-E833 IonicContact NE-OE1 3.31Å; R829-E833 PolarHBondContact NE-OE1 2.89Å; R829-E833 IonicContact NH2-OE1 2.89Å; R829-E833 WeakPolarHBondContact O-CG 3.43Å; R829-E833 PolarHBondContact O-N 3.07Å; E833-I835 PolarHBondContact O-N 3.47Å; E833-Q836 PolarHBondContact O-N 2.86Å; E833-D837 WeakPolarHBondContact O-CB 3.4Å; E833-D837 PolarHBondContact O-N 2.69Å
834	R	88.6	Confident	78.2	Confident	143 Å²	143	79.4 Å²	79.4	54%	0.54	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-42.9	176.7	-74.3	173.7	-159.9	168.1	4.4	112.9	Q830 Q831 Y832	Q830-R834 VanDerWaalsContact O-CG 3.27Å; Q830-R834 WeakPolarHBondContact O-CG 3.41Å; Q830-R834 PolarHBondContact O-N 2.82Å; Q831-R834 VanDerWaalsContact NE2-NH1 3.11Å; Q831-R834 PolarHBondContact O-N 2.03Å; Y832-R834 PolarHBondContact O-N 2.81Å
835	I	86	Confident	75.8	Confident	26 Å²	26	85 Å²	85	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-70.1	-40.5	177.9	-59.2	166	0	0	0	109.3	Q831 Y832 E833 S838 L839 T866 M867 F870	Q831-I835 WeakPolarHBondContact O-CG1 3.25Å; Q831-I835 PolarHBondContact O-N 2.77Å; Q831-I835 VanDerWaalsContact O-N 3.14Å; Y832-I835 PolarHBondContact O-N 3.01Å; E833-I835 PolarHBondContact O-N 3.47Å; I835-S838 WeakPolarHBondContact O-CB 3.27Å; I835-S838 PolarHBondContact O-N 2.79Å; I835-S838 PolarHBondContact O-OG 3.4Å; I835-L839 PolarHBondContact O-N 3.02Å; I835-T866 HydrophobicContact CG2-CG2 4.37Å; I835-M867 HydrophobicContact CB-CE 3.6Å; I835-M867 HydrophobicContact CB-SD 4.28Å; I835-M867 HydrophobicContact CD1-SD 4.34Å; I835-M867 HydrophobicContact CG2-CB 3.85Å; I835-M867 HydrophobicContact CG2-CE 3.66Å; I835-M867 HydrophobicContact CG2-SD 4.13Å; I835-F870 HydrophobicContact CD1-CB 4.05Å; I835-F870 HydrophobicContact CD1-CD1 3.76Å; I835-F870 HydrophobicContact CD1-CE1 4.32Å; I835-F870 HydrophobicContact CD1-CG 3.85Å
836	Q	82.3	Confident	73.6	Confident	33 Å²	33	89.9 Å²	89.9	15%	0.154	43%	0.432	C	S	.	.	H	α-helix	trans	-66	-37.1	177.9	-170.9	179.4	-6.2	0	0	113.6	Y832 E833 S838 L839 S840 M867	Y832-Q836 WeakPolarHBondContact O-CB 3.47Å; Y832-Q836 PolarHBondContact O-N 3.17Å; E833-Q836 PolarHBondContact O-N 2.86Å; Q836-S838 PolarHBondContact O-N 3.34Å; Q836-L839 WeakPolarHBondContact O-CA 3.37Å; Q836-L839 VanDerWaalsContact O-CB 3.24Å; Q836-L839 WeakPolarHBondContact O-CB 3.19Å; Q836-L839 PolarHBondContact O-N 3.32Å; Q836-S840 PolarHBondContact O-N 3.03Å; Q836-M867 HydrophobicContact CB-CE 4.18Å
837	D	79.2	Confident	71.6	Confident	109 Å²	109	98.4 Å²	98.4	58%	0.583	46%	0.459	S	S	*	.	H	α-helix	trans	-64.2	-30.6	176.8	-78.1	-19.2	0	0	0	111.9	E833 L839 S840	E833-D837 WeakPolarHBondContact O-CB 3.4Å; E833-D837 PolarHBondContact O-N 2.69Å; D837-L839 VanDerWaalsContact C-N 3.3Å; D837-L839 PolarHBondContact O-N 2.71Å; D837-S840 PolarHBondContact O-N 2.69Å
838	S	75	Confident	69.7	Low	60 Å²	60	100 Å²	100	42%	0.42	48%	0.476	S	S	.	.	H	α-helix	trans	-66.9	-31.3	171.7	81	0	0	0	0	112.5	I835 Q836 A863	I835-S838 WeakPolarHBondContact O-CB 3.27Å; I835-S838 PolarHBondContact O-N 2.79Å; I835-S838 PolarHBondContact O-OG 3.4Å; Q836-S838 PolarHBondContact O-N 3.34Å; S838-A863 WeakPolarHBondContact OG-CB 3.21Å
839	L	67.6	Low	67.6	Low	25 Å²	25	106.9 Å²	106.9	13%	0.131	51%	0.51	C	S	.	.	H	α-helix	trans	-72.8	-33.6	173.2	-73.1	147.3	0	0	0	112.3	I835 Q836 D837 A863 L978	I835-L839 PolarHBondContact O-N 3.02Å; Q836-L839 WeakPolarHBondContact O-CA 3.37Å; Q836-L839 VanDerWaalsContact O-CB 3.24Å; Q836-L839 WeakPolarHBondContact O-CB 3.19Å; Q836-L839 PolarHBondContact O-N 3.32Å; D837-L839 VanDerWaalsContact C-N 3.3Å; D837-L839 PolarHBondContact O-N 2.71Å; L839-A863 HydrophobicContact CD1-CB 4.34Å; L839-A863 HydrophobicContact CD2-CB 3.76Å; L839-A863 HydrophobicContact CG-CB 3.58Å; L839-L978 HydrophobicContact CD2-CD1 3.45Å; L839-L978 VanDerWaalsContact CD2-CD1 3.45Å; L839-L978 HydrophobicContact CD2-CG 4.3Å
840	S	62.3	Low	65.2	Low	79 Å²	79	114.2 Å²	114.2	55%	0.552	55%	0.55	S	S	*	.			trans	-91.4	6.5	-168.8	-167.7	0	0	0	0	116.1	Q836 D837 R842	Q836-S840 PolarHBondContact O-N 3.03Å; D837-S840 PolarHBondContact O-N 2.69Å; S840-R842 PolarHBondContact O-N 2.91Å
841	R	61.2	Low	63	Low	206 Å²	206	115 Å²	115	78%	0.777	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	47.3	178	-81.2	-174.3	176.7	-173.7	1.2	114.6
842	R	49.7	Very low	61.1	Low	177 Å²	177	114.2 Å²	114.2	67%	0.668	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-18.5	177.7	-168.8	173.8	178.4	-179.5	0.7	113.6	S840 N975	S840-R842 PolarHBondContact O-N 2.91Å; R842-N975 PolarHBondContact NH1-OD1 2Å
843	N	44.4	Very low	59.2	Low	150 Å²	150	120.2 Å²	120.2	80%	0.802	61%	0.611	S	S	*	*			trans	-123.9	46.1	-163.9	-69.9	-8.7	0	0	0	115.4
844	R	45.4	Very low	57.4	Low	235 Å²	235	121.4 Å²	121.4	89%	0.887	63%	0.628	S	S	*	*	S	Bend	trans	-93.3	138.3	166.7	-141.2	177.1	-172.4	-174.8	1.2	109.3	S846	R844-S846 PolarHBondContact O-N 2.79Å
845	P	41.7	Very low	55.9	Low	121 Å²	121	119.5 Å²	119.5	79%	0.786	63%	0.628	S	S	*	*			trans	-59.5	132.7	-176.4	-21.8	31.6	0	0	0	112.6	R847	P845-R847 VanDerWaalsContact C-N 3.32Å; P845-R847 PolarHBondContact O-N 3.13Å
846	S	45.7	Very low	54.7	Low	114 Å²	114	122.1 Å²	122.1	80%	0.797	64%	0.642	S	S	*	*	S	Bend	trans	-73.8	64.5	-174.6	42.2	0	0	0	0	113.7	R844	R844-S846 PolarHBondContact O-N 2.79Å
847	R	45.3	Very low	53.9	Low	242 Å²	242	122.6 Å²	122.6	91%	0.913	65%	0.649	S	S	*	*	S	Bend	trans	-118.5	8.1	168.8	-82	-169.6	178.5	170.1	0.7	115.3	P845	P845-R847 VanDerWaalsContact C-N 3.32Å; P845-R847 PolarHBondContact O-N 3.13Å
848	L	49.3	Very low	53.4	Low	161 Å²	161	121.4 Å²	121.4	84%	0.843	64%	0.643	S	S	*	*	S	Bend	trans	-147.7	31.9	-175.4	-99.3	160.3	0	0	0	114.5
849	M	46.5	Very low	53.2	Low	151 Å²	151	123.8 Å²	123.8	74%	0.744	65%	0.65	S	S	*	*			trans	-130.5	82.9	-178.8	-72.6	-76.4	142.6	0	0	111.5
850	D	40.3	Very low	53.3	Low	167 Å²	167	125 Å²	125	89%	0.893	66%	0.655	S	S	*	*	S	Bend	trans	-94.2	133.9	151.6	-81.9	-34.1	0	0	0	108.3
851	A	43.7	Very low	54	Low	105 Å²	105	127.3 Å²	127.3	87%	0.868	66%	0.656	S	S	*	*	S	Bend	trans	81.5	32.8	164.2	0	0	0	0	0	122.4
852	S	49.2	Very low	54.8	Low	47 Å²	47	126 Å²	126	33%	0.329	65%	0.651	S	S	.	*			trans	-150.7	47.8	173.1	63.1	0	0	0	0	118.8	A854	S852-A854 VanDerWaalsContact C-N 3.31Å; S852-A854 PolarHBondContact O-N 3.19Å
853	T	50.9	Low	56.2	Low	131 Å²	131	118 Å²	118	80%	0.804	62%	0.622	S	S	*	*	H	α-helix	trans	-66.2	-29.6	169.8	5	0	0	0	0	113.4
854	A	50.4	Low	58.1	Low	68 Å²	68	112.4 Å²	112.4	56%	0.562	59%	0.59	S	S	*	*	H	α-helix	trans	-72.7	-32.2	179.3	0	0	0	0	0	113.6	S852 L856 S857	S852-A854 VanDerWaalsContact C-N 3.31Å; S852-A854 PolarHBondContact O-N 3.19Å; A854-L856 VanDerWaalsContact C-N 3.34Å; A854-S857 PolarHBondContact O-OG 2.91Å; A854-S857 VanDerWaalsContact O-OG 3.07Å
855	N	58.6	Low	60	Low	103 Å²	103	106.2 Å²	106.2	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-75.3	-25.4	-179.8	-69.2	-19.5	0	0	0	112.3	L859	N855-L859 WeakPolarHBondContact O-CB 3.3Å; N855-L859 WeakPolarHBondContact O-CD1 3.47Å; N855-L859 WeakPolarHBondContact O-CG 3.26Å; N855-L859 PolarHBondContact O-N 2.85Å; N855-L859 VanDerWaalsContact O-N 3.12Å
856	L	60.6	Low	62.3	Low	80 Å²	80	104.1 Å²	104.1	42%	0.419	56%	0.56	S	S	.	*	H	α-helix	trans	-73	-41.2	-178.1	-169.8	68.9	0	0	0	112.2	A854 Q860	A854-L856 VanDerWaalsContact C-N 3.34Å; L856-Q860 WeakPolarHBondContact O-CG 3.04Å; L856-Q860 PolarHBondContact O-N 3.13Å
857	S	64.4	Low	64.3	Low	44 Å²	44	98.8 Å²	98.8	31%	0.308	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-42.4	174.5	44.1	0	0	0	0	111.9	A854 L859 Q860 F861	A854-S857 PolarHBondContact O-OG 2.91Å; A854-S857 VanDerWaalsContact O-OG 3.07Å; S857-L859 VanDerWaalsContact C-N 3.35Å; S857-L859 PolarHBondContact O-N 3.48Å; S857-Q860 WeakPolarHBondContact O-CB 3.37Å; S857-Q860 PolarHBondContact O-N 3.18Å; S857-Q860 VanDerWaalsContact O-N 3.1Å; S857-F861 WeakPolarHBondContact O-CD2 3.26Å; S857-F861 PolarHBondContact O-N 3.28Å
858	D	69.1	Low	66.5	Low	83 Å²	83	88.7 Å²	88.7	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-38.4	178.6	-79.4	-4	0	0	0	112.7	Q860 R862	D858-Q860 VanDerWaalsContact C-N 3.32Å; D858-Q860 PolarHBondContact O-N 3.44Å; D858-R862 WeakPolarHBondContact O-CB 3.07Å; D858-R862 VanDerWaalsContact O-CG 3.3Å; D858-R862 WeakPolarHBondContact O-CG 3.08Å; D858-R862 PolarHBondContact O-N 3.29Å; D858-R862 VanDerWaalsContact O-N 3.08Å
859	L	70.4	Confident	68.5	Low	111 Å²	111	88 Å²	88	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-60.8	-39.8	171.8	-88.9	156.1	0	0	0	112	N855 S857 A863	N855-L859 WeakPolarHBondContact O-CB 3.3Å; N855-L859 WeakPolarHBondContact O-CD1 3.47Å; N855-L859 WeakPolarHBondContact O-CG 3.26Å; N855-L859 PolarHBondContact O-N 2.85Å; N855-L859 VanDerWaalsContact O-N 3.12Å; S857-L859 VanDerWaalsContact C-N 3.35Å; S857-L859 PolarHBondContact O-N 3.48Å; L859-A863 WeakPolarHBondContact O-CB 3.13Å; L859-A863 PolarHBondContact O-N 3.24Å
860	Q	70.6	Confident	70.7	Confident	51 Å²	51	81.8 Å²	81.8	24%	0.238	45%	0.447	C	S	.	.	H	α-helix	trans	-68.2	-44.5	178.3	-71.9	170.2	-15.1	0	0	112.4	L856 S857 D858 R862 A863 Y864 L978	L856-Q860 WeakPolarHBondContact O-CG 3.04Å; L856-Q860 PolarHBondContact O-N 3.13Å; S857-Q860 WeakPolarHBondContact O-CB 3.37Å; S857-Q860 PolarHBondContact O-N 3.18Å; S857-Q860 VanDerWaalsContact O-N 3.1Å; D858-Q860 VanDerWaalsContact C-N 3.32Å; D858-Q860 PolarHBondContact O-N 3.44Å; Q860-R862 PolarHBondContact O-N 2.85Å; Q860-A863 PolarHBondContact O-N 3.01Å; Q860-Y864 PolarHBondContact O-N 3.22Å; Q860-L978 HydrophobicContact CB-CD1 4.44Å
861	F	76.1	Confident	73.2	Confident	126 Å²	126	74.2 Å²	74.2	55%	0.553	41%	0.407	S	S	*	.	H	α-helix	trans	-62.4	-42.1	176.8	-69.1	-61.9	0	0	0	112	S857 A863 Y864 N865	S857-F861 WeakPolarHBondContact O-CD2 3.26Å; S857-F861 PolarHBondContact O-N 3.28Å; F861-A863 PolarHBondContact O-N 3.45Å; F861-Y864 PolarHBondContact O-N 3.42Å; F861-N865 PolarHBondContact O-N 3.42Å
862	R	79.2	Confident	75.5	Confident	179 Å²	179	69.6 Å²	69.6	68%	0.675	37%	0.37	S	S	*	.	H	α-helix	trans	-63.1	-41.1	175.8	-72.7	178.5	-171.5	-173.1	4.7	112.1	D858 Q860 N865 T866	D858-R862 WeakPolarHBondContact O-CB 3.07Å; D858-R862 VanDerWaalsContact O-CG 3.3Å; D858-R862 WeakPolarHBondContact O-CG 3.08Å; D858-R862 PolarHBondContact O-N 3.29Å; D858-R862 VanDerWaalsContact O-N 3.08Å; Q860-R862 PolarHBondContact O-N 2.85Å; R862-N865 PolarHBondContact O-N 3.38Å; R862-T866 WeakPolarHBondContact O-CB 3.22Å; R862-T866 PolarHBondContact O-N 3.26Å; R862-T866 PolarHBondContact O-OG1 3.44Å
863	A	78.3	Confident	77.5	Confident	8 Å²	8	68.5 Å²	68.5	7%	0.066	36%	0.362	C	S	.	.	H	α-helix	trans	-70.2	-35.3	179.1	0	0	0	0	0	112.2	S838 L839 L859 Q860 F861 T866 M867	S838-A863 WeakPolarHBondContact OG-CB 3.21Å; L839-A863 HydrophobicContact CD1-CB 4.34Å; L839-A863 HydrophobicContact CD2-CB 3.76Å; L839-A863 HydrophobicContact CG-CB 3.58Å; L859-A863 WeakPolarHBondContact O-CB 3.13Å; L859-A863 PolarHBondContact O-N 3.24Å; Q860-A863 PolarHBondContact O-N 3.01Å; F861-A863 PolarHBondContact O-N 3.45Å; A863-T866 PolarHBondContact O-N 2.91Å; A863-M867 WeakPolarHBondContact O-CB 3.43Å; A863-M867 PolarHBondContact O-N 2.99Å
864	Y	84.1	Confident	79.5	Confident	34 Å²	34	62.7 Å²	62.7	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-47.6	173.2	-177.1	-90.6	0	0	0	111.5	F626 L627 Q860 F861 T866 M867 N868 L978	F626-Y864 AromaticContact CE2-CD2 3.82Å; F626-Y864 HydrophobicContact CE2-CD2 3.82Å; F626-Y864 AromaticContact CE2-CE2 3.73Å; F626-Y864 HydrophobicContact CE2-CE2 3.73Å; F626-Y864 HydrophobicContact CZ-CD2 4.12Å; F626-Y864 AromaticContact CZ-CE2 3.88Å; F626-Y864 HydrophobicContact CZ-CE2 3.88Å; L627-Y864 PolarHBondContact O-OH 3.07Å; Q860-Y864 PolarHBondContact O-N 3.22Å; F861-Y864 PolarHBondContact O-N 3.42Å; Y864-T866 VanDerWaalsContact C-N 3.3Å; Y864-T866 PolarHBondContact O-N 2.86Å; Y864-M867 WeakPolarHBondContact O-CB 3.37Å; Y864-M867 PolarHBondContact O-N 3.41Å; Y864-M867 VanDerWaalsContact O-N 3.15Å; Y864-N868 WeakPolarHBondContact O-CB 3.48Å; Y864-N868 PolarHBondContact O-N 3.02Å; Y864-L978 HydrophobicContact CD2-CD1 4.06Å; Y864-L978 HydrophobicContact CG-CD1 4.39Å
865	N	85.7	Confident	81.5	Confident	104 Å²	104	60.1 Å²	60.1	56%	0.556	30%	0.302	S	S	*	.	H	α-helix	trans	-63.1	-38.7	177.3	-72.7	-14	0	0	0	111.8	F861 R862 N868 H869	F861-N865 PolarHBondContact O-N 3.42Å; R862-N865 PolarHBondContact O-N 3.38Å; N865-N868 PolarHBondContact O-N 2.92Å; N865-H869 WeakPolarHBondContact O-CB 3.29Å; N865-H869 PolarHBondContact O-N 3.12Å
866	T	89.6	Confident	83.1	Confident	78 Å²	78	58.9 Å²	58.9	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-45.5	172.8	-56.4	0	0	0	0	111.2	I835 R862 A863 Y864 F870	I835-T866 HydrophobicContact CG2-CG2 4.37Å; R862-T866 WeakPolarHBondContact O-CB 3.22Å; R862-T866 PolarHBondContact O-N 3.26Å; R862-T866 PolarHBondContact O-OG1 3.44Å; A863-T866 PolarHBondContact O-N 2.91Å; Y864-T866 VanDerWaalsContact C-N 3.3Å; Y864-T866 PolarHBondContact O-N 2.86Å; T866-F870 VanDerWaalsContact O-CB 3.27Å; T866-F870 WeakPolarHBondContact O-CB 3.49Å; T866-F870 PolarHBondContact O-N 2.89Å
867	M	89	Confident	84.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-45.6	177.2	-174.6	63.3	87.4	0	0	112	F626 Y832 I835 Q836 A863 Y864 H869 F870 L871	F626-M867 HydrophobicContact CD1-CG 4.41Å; F626-M867 HydrophobicContact CD2-CG 3.95Å; F626-M867 HydrophobicContact CE1-CG 3.94Å; F626-M867 HydrophobicContact CE2-CB 3.88Å; F626-M867 HydrophobicContact CE2-CG 3.41Å; F626-M867 VanDerWaalsContact CE2-CG 3.41Å; F626-M867 HydrophobicContact CG-CG 4.42Å; F626-M867 HydrophobicContact CZ-CB 3.75Å; F626-M867 HydrophobicContact CZ-CG 3.4Å; F626-M867 VanDerWaalsContact CZ-CG 3.4Å; Y832-M867 HydrophobicContact CD2-CE 3.56Å; Y832-M867 HydrophobicContact CD2-SD 3.56Å; Y832-M867 VanDerWaalsContact CD2-SD 3.56Å; Y832-M867 HydrophobicContact CE2-CE 3.66Å; Y832-M867 HydrophobicContact CE2-SD 3.79Å; Y832-M867 HydrophobicContact CG-CE 4.11Å; Y832-M867 WeakPolarHBondContact O-CE 3.33Å; I835-M867 HydrophobicContact CB-CE 3.6Å; I835-M867 HydrophobicContact CB-SD 4.28Å; I835-M867 HydrophobicContact CD1-SD 4.34Å; I835-M867 HydrophobicContact CG2-CB 3.85Å; I835-M867 HydrophobicContact CG2-CE 3.66Å; I835-M867 HydrophobicContact CG2-SD 4.13Å; Q836-M867 HydrophobicContact CB-CE 4.18Å; A863-M867 WeakPolarHBondContact O-CB 3.43Å; A863-M867 PolarHBondContact O-N 2.99Å; Y864-M867 WeakPolarHBondContact O-CB 3.37Å; Y864-M867 PolarHBondContact O-N 3.41Å; Y864-M867 VanDerWaalsContact O-N 3.15Å; M867-H869 PolarHBondContact O-N 3.42Å; M867-F870 PolarHBondContact O-N 3.14Å; M867-F870 HydrophobicContact SD-CD1 4.1Å; M867-L871 HydrophobicContact CG-CD1 3.93Å; M867-L871 HydrophobicContact CG-CG 4.38Å; M867-L871 WeakPolarHBondContact O-CG 3.27Å; M867-L871 PolarHBondContact O-N 3.15Å; M867-L871 HydrophobicContact SD-CD1 4.04Å; M867-L871 HydrophobicContact SD-CG 4.08Å
868	N	91.4	Very high	85.7	Confident	30 Å²	30	60 Å²	60	16%	0.16	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-45.6	179.6	-167.4	49.5	0	0	0	111.2	F626 I628 D629 Y864 N865 G872	F626-N868 HydrophobicContact CZ-CB 4.38Å; I628-N868 VanDerWaalsContact CA-OD1 3.24Å; I628-N868 WeakPolarHBondContact CA-OD1 3.3Å; I628-N868 WeakPolarHBondContact CG2-OD1 3.23Å; D629-N868 PolarHBondContact N-OD1 3.47Å; D629-N868 PolarHBondContact O-ND2 2.91Å; Y864-N868 WeakPolarHBondContact O-CB 3.48Å; Y864-N868 PolarHBondContact O-N 3.02Å; N865-N868 PolarHBondContact O-N 2.92Å; N868-G872 PolarHBondContact O-N 3.46Å
869	H	90.9	Very high	86.6	Confident	146 Å²	146	59.2 Å²	59.2	68%	0.676	30%	0.299	S	S	*	.	H	α-helix	trans	-64.9	-42.5	175.7	-174.1	-73	0	0	0	112.2	N865 M867 S873	N865-H869 WeakPolarHBondContact O-CB 3.29Å; N865-H869 PolarHBondContact O-N 3.12Å; M867-H869 PolarHBondContact O-N 3.42Å; H869-S873 VanDerWaalsContact O-CB 3.29Å; H869-S873 WeakPolarHBondContact O-CB 3.3Å; H869-S873 PolarHBondContact O-N 3.27Å
870	F	92.6	Very high	87.2	Confident	21 Å²	21	58.8 Å²	58.8	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-50	177.7	169.6	-112.5	0	0	0	112	Q831 I835 T866 M867 S873 I874 M882	Q831-F870 HydrophobicContact CB-CE1 4.36Å; Q831-F870 HydrophobicContact CB-CE2 4.3Å; Q831-F870 HydrophobicContact CB-CZ 3.72Å; I835-F870 HydrophobicContact CD1-CB 4.05Å; I835-F870 HydrophobicContact CD1-CD1 3.76Å; I835-F870 HydrophobicContact CD1-CE1 4.32Å; I835-F870 HydrophobicContact CD1-CG 3.85Å; T866-F870 VanDerWaalsContact O-CB 3.27Å; T866-F870 WeakPolarHBondContact O-CB 3.49Å; T866-F870 PolarHBondContact O-N 2.89Å; M867-F870 PolarHBondContact O-N 3.14Å; M867-F870 HydrophobicContact SD-CD1 4.1Å; F870-S873 PolarHBondContact O-N 3.03Å; F870-I874 HydrophobicContact CD1-CD1 4.02Å; F870-I874 HydrophobicContact CD2-CD1 4.11Å; F870-I874 HydrophobicContact CE1-CD1 3.49Å; F870-I874 VanDerWaalsContact CE1-CD1 3.49Å; F870-I874 HydrophobicContact CE2-CD1 3.59Å; F870-I874 HydrophobicContact CE2-CG1 4.24Å; F870-I874 HydrophobicContact CG-CD1 4.32Å; F870-I874 HydrophobicContact CZ-CD1 3.26Å; F870-I874 HydrophobicContact CZ-CG1 4.36Å; F870-I874 WeakPolarHBondContact O-CG1 3.37Å; F870-I874 PolarHBondContact O-N 2.05Å; F870-M882 HydrophobicContact CE2-CE 3.94Å
871	L	92.1	Very high	87.8	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-39	179.1	-67.9	174.9	0	0	0	112.1	F626 I628 L767 Y832 M867 I874 I875	F626-L871 HydrophobicContact CD1-CD1 3.3Å; F626-L871 HydrophobicContact CE1-CD1 3.58Å; F626-L871 HydrophobicContact CG-CD1 4Å; F626-L871 HydrophobicContact CZ-CD1 4.46Å; I628-L871 HydrophobicContact CD1-CB 3.8Å; I628-L871 HydrophobicContact CD1-CD1 4.15Å; I628-L871 HydrophobicContact CG1-CB 4.17Å; I628-L871 HydrophobicContact CG1-CD1 4.09Å; L767-L871 HydrophobicContact CD2-CD1 4.08Å; L767-L871 HydrophobicContact CD2-CD2 3.9Å; Y832-L871 HydrophobicContact CD2-CD2 4.25Å; Y832-L871 HydrophobicContact CE2-CD1 4.27Å; M867-L871 HydrophobicContact CG-CD1 3.93Å; M867-L871 HydrophobicContact CG-CG 4.38Å; M867-L871 WeakPolarHBondContact O-CG 3.27Å; M867-L871 PolarHBondContact O-N 3.15Å; M867-L871 HydrophobicContact SD-CD1 4.04Å; M867-L871 HydrophobicContact SD-CG 4.08Å; L871-I874 HydrophobicContact CD2-CD1 4.36Å; L871-I874 PolarHBondContact O-N 3.04Å; L871-I875 WeakPolarHBondContact O-CG1 3.45Å; L871-I875 PolarHBondContact O-N 3.47Å; L871-I875 VanDerWaalsContact O-N 3.09Å
872	G	91.6	Very high	88.3	Confident	9 Å²	9	55.8 Å²	55.8	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-45.9	172.7	0	0	0	0	0	112.2	N868 I874 I875 D876	N868-G872 PolarHBondContact O-N 3.46Å; G872-I874 PolarHBondContact O-N 3.28Å; G872-I875 PolarHBondContact O-N 3.27Å; G872-D876 WeakPolarHBondContact O-CB 3.49Å; G872-D876 PolarHBondContact O-N 3.36Å
873	S	92.1	Very high	88.8	Confident	24 Å²	24	48.4 Å²	48.4	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-39.9	175.9	-178.4	0	0	0	0	112.6	H869 F870 D876 H877 G878 H879	H869-S873 VanDerWaalsContact O-CB 3.29Å; H869-S873 WeakPolarHBondContact O-CB 3.3Å; H869-S873 PolarHBondContact O-N 3.27Å; F870-S873 PolarHBondContact O-N 3.03Å; S873-D876 CarbonylContact O-C 3.39Å; S873-D876 PolarHBondContact O-N 3.21Å; S873-H877 PolarHBondContact O-N 3Å; S873-G878 WeakPolarHBondContact O-CA 3.37Å; S873-G878 PolarHBondContact O-N 3.38Å; S873-H879 PolarHBondContact OG-CD2 3.18Å; S873-H879 VanDerWaalsContact OG-CD2 3.25Å; S873-H879 PolarHBondContact OG-NE2 2.03Å; S873-H879 VanDerWaalsContact OG-NE2 3.11Å
874	I	92.7	Very high	89.5	Confident	9 Å²	9	48.7 Å²	48.7	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-47.2	175.6	-73.6	163	0	0	0	111.2	L828 F870 L871 G872 D876 H877 Y884	L828-I874 HydrophobicContact CD1-CD1 3.51Å; L828-I874 HydrophobicContact CD1-CG1 4.13Å; L828-I874 HydrophobicContact CD1-CG2 3.87Å; L828-I874 HydrophobicContact CG-CD1 3.96Å; F870-I874 HydrophobicContact CD1-CD1 4.02Å; F870-I874 HydrophobicContact CD2-CD1 4.11Å; F870-I874 HydrophobicContact CE1-CD1 3.49Å; F870-I874 VanDerWaalsContact CE1-CD1 3.49Å; F870-I874 HydrophobicContact CE2-CD1 3.59Å; F870-I874 HydrophobicContact CE2-CG1 4.24Å; F870-I874 HydrophobicContact CG-CD1 4.32Å; F870-I874 HydrophobicContact CZ-CD1 3.26Å; F870-I874 HydrophobicContact CZ-CG1 4.36Å; F870-I874 WeakPolarHBondContact O-CG1 3.37Å; F870-I874 PolarHBondContact O-N 2.05Å; L871-I874 HydrophobicContact CD2-CD1 4.36Å; L871-I874 PolarHBondContact O-N 3.04Å; G872-I874 PolarHBondContact O-N 3.28Å; I874-D876 VanDerWaalsContact C-N 3.28Å; I874-D876 PolarHBondContact O-N 3.01Å; I874-H877 PolarHBondContact O-N 3.4Å; I874-H877 VanDerWaalsContact O-N 3.08Å; I874-Y884 WeakPolarHBondContact O-CE1 2.96Å
875	I	92.8	Very high	89.8	Confident	13 Å²	13	50.9 Å²	50.9	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-34.9	-179.3	-63.9	-63.6	0	0	0	111.1	W630 Y777 L811 L871 G872 H877 Y884 F909	W630-I875 HydrophobicContact CH2-CB 3.88Å; W630-I875 HydrophobicContact CH2-CG2 3.79Å; W630-I875 HydrophobicContact CZ2-CB 4.29Å; W630-I875 HydrophobicContact CZ2-CG2 4.02Å; Y777-I875 HydrophobicContact CE1-CD1 4.16Å; Y777-I875 HydrophobicContact CE2-CD1 4.02Å; Y777-I875 HydrophobicContact CE2-CG1 4.4Å; L811-I875 HydrophobicContact CD1-CG2 3.85Å; L871-I875 WeakPolarHBondContact O-CG1 3.45Å; L871-I875 PolarHBondContact O-N 3.47Å; L871-I875 VanDerWaalsContact O-N 3.09Å; G872-I875 PolarHBondContact O-N 3.27Å; I875-H877 PolarHBondContact O-N 3.25Å; I875-Y884 PolarHBondContact O-OH 2.91Å; I875-Y884 VanDerWaalsContact O-OH 3.1Å; I875-F909 HydrophobicContact CD1-CE2 3.9Å; I875-F909 HydrophobicContact CD1-CZ 3.91Å
876	D	91.2	Very high	90.1	Very high	78 Å²	78	48.6 Å²	48.6	42%	0.417	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	11.4	174.2	-75.4	-22.1	0	0	0	113.6	R781 G872 S873 I874 G878	R781-D876 IonicContact CZ-OD1 2.91Å; R781-D876 IonicContact NH1-OD1 3.07Å; R781-D876 PolarHBondContact NH1-OD1 3.44Å; R781-D876 IonicContact NH1-OD2 3.54Å; G872-D876 WeakPolarHBondContact O-CB 3.49Å; G872-D876 PolarHBondContact O-N 3.36Å; S873-D876 CarbonylContact O-C 3.39Å; S873-D876 PolarHBondContact O-N 3.21Å; I874-D876 VanDerWaalsContact C-N 3.28Å; I874-D876 PolarHBondContact O-N 3.01Å; D876-G878 PolarHBondContact O-N 3.05Å
877	H	91.5	Very high	90.1	Very high	101 Å²	101	48 Å²	48	47%	0.468	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.6	-178.7	-58.2	-77.8	0	0	0	114.9	S873 I874 I875 H879 D883 Y884	S873-H877 PolarHBondContact O-N 3Å; I874-H877 PolarHBondContact O-N 3.4Å; I874-H877 VanDerWaalsContact O-N 3.08Å; I875-H877 PolarHBondContact O-N 3.25Å; H877-H879 VanDerWaalsContact C-N 3.26Å; H877-H879 PolarHBondContact O-N 3.17Å; H877-D883 IonicContact CE1-OD1 3.65Å; H877-D883 IonicContact CG-OD1 3.85Å; H877-D883 IonicContact ND1-OD1 3.54Å; H877-D883 PolarHBondContact ND1-OD1 2.83Å; H877-Y884 AromaticContact CE1-CD1 3.83Å; H877-Y884 AromaticContact CE1-CE1 3.34Å; H877-Y884 WeakPolarHBondContact CE1-CE1 3.4Å; H877-Y884 AromaticContact CE1-CZ 3.52Å; H877-Y884 AromaticContact ND1-CE1 3.76Å; H877-Y884 AromaticContact NE2-CE1 3.8Å; H877-Y884 AromaticContact NE2-CZ 3.69Å
878	G	88.5	Confident	90	Very high	45 Å²	45	55.1 Å²	55.1	46%	0.464	29%	0.294	S	S	.	.			trans	-73	-9.2	-177.5	0	0	0	0	0	115.6	S873 D876	S873-G878 WeakPolarHBondContact O-CA 3.37Å; S873-G878 PolarHBondContact O-N 3.38Å; D876-G878 PolarHBondContact O-N 3.05Å
879	H	87.6	Confident	89.7	Confident	67 Å²	67	55.2 Å²	55.2	31%	0.31	29%	0.293	S	S	.	.			trans	-125.9	95	178.7	-67	-61.5	0	0	0	111.1	S873 H877 D881 M882 D883	S873-H879 PolarHBondContact OG-CD2 3.18Å; S873-H879 VanDerWaalsContact OG-CD2 3.25Å; S873-H879 PolarHBondContact OG-NE2 2.03Å; S873-H879 VanDerWaalsContact OG-NE2 3.11Å; H877-H879 VanDerWaalsContact C-N 3.26Å; H877-H879 PolarHBondContact O-N 3.17Å; H879-D881 PolarHBondContact O-N 3.32Å; H879-M882 HydrophobicContact CB-CB 4.38Å; H879-M882 HydrophobicContact CB-CE 3.99Å; H879-M882 CarbonylContact O-C 3.22Å; H879-M882 PolarHBondContact O-N 3.33Å; H879-D883 PolarHBondContact O-N 3.45Å
880	P	84	Confident	89.5	Confident	102 Å²	102	53 Å²	53	66%	0.662	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-61	-30.8	-175.8	22.4	-32.5	0	0	0	113.3	M882 D883	P880-M882 VanDerWaalsContact C-N 3.27Å; P880-M882 PolarHBondContact O-N 2.92Å; P880-D883 WeakPolarHBondContact O-CB 3.3Å
881	D	82.7	Confident	89	Confident	96 Å²	96	59.1 Å²	59.1	51%	0.513	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-70.7	-15.7	177.5	-81.8	16.7	0	0	0	115	R827 H879	R827-D881 IonicContact CZ-OD2 2.84Å; R827-D881 VanDerWaalsContact CZ-OD2 3.3Å; R827-D881 IonicContact NH1-OD2 2.94Å; R827-D881 PolarHBondContact NH1-OD2 3.12Å; R827-D881 VanDerWaalsContact NH1-OD2 3.09Å; R827-D881 IonicContact NH2-OD2 3.27Å; R827-D881 PolarHBondContact NH2-OD2 3.23Å; H879-D881 PolarHBondContact O-N 3.32Å
882	M	87.3	Confident	88.6	Confident	19 Å²	19	63.6 Å²	63.6	9%	0.094	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-134.4	33.1	-176.9	-64.4	179.6	-67.3	0	0	110.6	R827 L828 Q831 F870 H879 P880	R827-M882 HydrophobicContact CG-CG 4.24Å; R827-M882 HydrophobicContact CG-SD 4.34Å; L828-M882 HydrophobicContact CB-CB 4.47Å; L828-M882 HydrophobicContact CD1-CB 4.2Å; Q831-M882 HydrophobicContact CG-SD 4.02Å; F870-M882 HydrophobicContact CE2-CE 3.94Å; H879-M882 HydrophobicContact CB-CB 4.38Å; H879-M882 HydrophobicContact CB-CE 3.99Å; H879-M882 CarbonylContact O-C 3.22Å; H879-M882 PolarHBondContact O-N 3.33Å; P880-M882 VanDerWaalsContact C-N 3.27Å; P880-M882 PolarHBondContact O-N 2.92Å
883	D	88.8	Confident	88.2	Confident	24 Å²	24	63.2 Å²	63.2	13%	0.128	34%	0.336	C	S	.	.			trans	-72.8	162.5	-175.7	-168.2	24.8	0	0	0	112.3	H877 H879 P880 K906 S907	H877-D883 IonicContact CE1-OD1 3.65Å; H877-D883 IonicContact CG-OD1 3.85Å; H877-D883 IonicContact ND1-OD1 3.54Å; H877-D883 PolarHBondContact ND1-OD1 2.83Å; H879-D883 PolarHBondContact O-N 3.45Å; P880-D883 WeakPolarHBondContact O-CB 3.3Å; D883-K906 HydrophobicContact CB-CD 4.32Å; D883-K906 IonicContact OD2-NZ 2.76Å; D883-K906 PolarHBondContact OD2-NZ 3.49Å; D883-S907 PolarHBondContact O-N 3.41Å
884	Y	92.5	Very high	87.7	Confident	13 Å²	13	68.4 Å²	68.4	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156	176.6	75	-82	0	0	0	112	L811 I874 I875 H877 V886 S907 F909	L811-Y884 HydrophobicContact CD2-CE2 4Å; I874-Y884 WeakPolarHBondContact O-CE1 2.96Å; I875-Y884 PolarHBondContact O-OH 2.91Å; I875-Y884 VanDerWaalsContact O-OH 3.1Å; H877-Y884 AromaticContact CE1-CD1 3.83Å; H877-Y884 AromaticContact CE1-CE1 3.34Å; H877-Y884 WeakPolarHBondContact CE1-CE1 3.4Å; H877-Y884 AromaticContact CE1-CZ 3.52Å; H877-Y884 AromaticContact ND1-CE1 3.76Å; H877-Y884 AromaticContact NE2-CE1 3.8Å; H877-Y884 AromaticContact NE2-CZ 3.69Å; Y884-V886 HydrophobicContact CD2-CG2 4.36Å; Y884-V886 HydrophobicContact CE2-CG2 3.96Å; Y884-S907 CarbonylContact C-O 3.54Å; Y884-S907 WeakPolarHBondContact CA-O 3.39Å; Y884-F909 HydrophobicContact CD1-CE1 4.43Å; Y884-F909 HydrophobicContact CD2-CB 4.07Å; Y884-F909 AromaticContact CD2-CD1 3.44Å; Y884-F909 HydrophobicContact CD2-CD1 3.44Å; Y884-F909 VanDerWaalsContact CD2-CD1 3.44Å; Y884-F909 HydrophobicContact CD2-CD2 4.03Å; Y884-F909 AromaticContact CD2-CE1 3.78Å; Y884-F909 HydrophobicContact CD2-CE1 3.78Å; Y884-F909 HydrophobicContact CD2-CE2 4.32Å; Y884-F909 AromaticContact CD2-CG 3.58Å; Y884-F909 HydrophobicContact CD2-CG 3.58Å; Y884-F909 HydrophobicContact CD2-CZ 4.22Å; Y884-F909 HydrophobicContact CE2-CD1 4.31Å; Y884-F909 HydrophobicContact CE2-CD2 4.09Å; Y884-F909 HydrophobicContact CE2-CE2 4.35Å; Y884-F909 HydrophobicContact CE2-CG 4.07Å; Y884-F909 AromaticContact CG-CD1 3.75Å; Y884-F909 HydrophobicContact CG-CD1 3.75Å; Y884-F909 AromaticContact CG-CE1 3.7Å; Y884-F909 HydrophobicContact CG-CE1 3.7Å; Y884-F909 HydrophobicContact CG-CG 4.35Å; Y884-F909 HydrophobicContact CG-CZ 4.24Å
885	M	91.6	Very high	87.2	Confident	80 Å²	80	73.7 Å²	73.7	39%	0.394	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.3	169.7	69	174.3	78.3	0	0	110.7	K906 S907 Y908 F909	M885-K906 HydrophobicContact CE-CB 4Å; M885-K906 HydrophobicContact CE-CD 4.01Å; M885-K906 HydrophobicContact CE-CG 4.42Å; M885-S907 PolarHBondContact N-O 3.03Å; M885-Y908 HydrophobicContact CE-CE1 3.89Å; M885-Y908 HydrophobicContact CG-CD1 3.51Å; M885-Y908 HydrophobicContact CG-CE1 3.79Å; M885-Y908 HydrophobicContact SD-CD1 3.88Å; M885-Y908 HydrophobicContact SD-CE1 3.55Å; M885-Y908 VanDerWaalsContact SD-CE1 3.55Å; M885-F909 PolarHBondContact O-N 2.79Å
886	V	91.9	Very high	86.6	Confident	56 Å²	56	75.7 Å²	75.7	34%	0.339	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128	173.3	-176	0	0	0	0	108.8	V812 F820 Y884 F909	V812-V886 HydrophobicContact CG2-CB 4.26Å; V812-V886 HydrophobicContact CG2-CG1 4.05Å; V812-V886 HydrophobicContact CG2-CG2 3.96Å; F820-V886 HydrophobicContact CE1-CG1 4.05Å; Y884-V886 HydrophobicContact CD2-CG2 4.36Å; Y884-V886 HydrophobicContact CE2-CG2 3.96Å; V886-F909 CarbonylContact C-O 3.47Å; V886-F909 VanDerWaalsContact CA-O 3.27Å; V886-F909 WeakPolarHBondContact CA-O 3.2Å; V886-F909 HydrophobicContact CG2-CB 4.18Å
887	K	89	Confident	85.9	Confident	66 Å²	66	73.7 Å²	73.7	29%	0.287	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.8	-176.8	-167.8	-177	172.9	-176.9	0	110.3	F909 Y910 S911	K887-F909 PolarHBondContact N-O 2.92Å; K887-Y910 HydrophobicContact CB-CD1 4.35Å; K887-Y910 HydrophobicContact CB-CE1 4.35Å; K887-Y910 HydrophobicContact CD-CE1 4.23Å; K887-Y910 WeakPolarHBondContact O-CA 3.22Å; K887-S911 PolarHBondContact O-N 2.72Å
888	E	87.3	Confident	85.5	Confident	151 Å²	151	69.6 Å²	69.6	71%	0.706	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-90.7	145.5	167.6	-65.3	-174.7	177.8	0	0	111.3
889	K	85.6	Confident	85.2	Confident	31 Å²	31	67.9 Å²	67.9	14%	0.135	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-73.8	143.9	172.3	-78.8	-170.2	167.8	-167.1	0	110.6	E893 E899 Y910	K889-E893 HydrophobicContact CB-CB 4.25Å; K889-E893 HydrophobicContact CD-CB 4.44Å; K889-E899 IonicContact NZ-OE1 3.57Å; K889-E899 PolarHBondContact NZ-OE1 3.25Å; K889-Y910 HydrophobicContact CB-CD1 4.47Å; K889-Y910 HydrophobicContact CD-CD1 4.46Å; K889-Y910 HydrophobicContact CD-CG 4.36Å; K889-Y910 HydrophobicContact CG-CD1 3.43Å; K889-Y910 VanDerWaalsContact CG-CD1 3.43Å; K889-Y910 HydrophobicContact CG-CE1 4.02Å; K889-Y910 HydrophobicContact CG-CG 3.74Å
890	L	85.9	Confident	84.8	Confident	101 Å²	101	68.9 Å²	68.9	53%	0.529	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62.3	151	168.1	-64.8	167.2	0	0	0	109.6	L892 E893 R894 F900	L890-L892 PolarHBondContact O-N 3.17Å; L890-E893 HydrophobicContact CB-CB 4.36Å; L890-E893 HydrophobicContact CB-CG 3.99Å; L890-E893 PolarHBondContact N-OE2 2.85Å; L890-E893 WeakPolarHBondContact O-CA 3.01Å; L890-E893 WeakPolarHBondContact O-CB 2.98Å; L890-E893 PolarHBondContact O-N 3.2Å; L890-R894 PolarHBondContact O-N 3.35Å; L890-F900 HydrophobicContact CD1-CD2 4.36Å
891	M	82.6	Confident	84.3	Confident	149 Å²	149	68.6 Å²	68.6	73%	0.734	35%	0.348	S	S	*	.	H	α-helix	trans	-57.1	-39.7	-177.6	-172.7	144.3	-84.3	0	0	112.4	R894 V895	M891-R894 WeakPolarHBondContact O-CB 3.49Å; M891-R894 PolarHBondContact O-N 3.07Å; M891-V895 WeakPolarHBondContact O-CG2 3.46Å; M891-V895 PolarHBondContact O-N 3.3Å
892	L	82.6	Confident	83.8	Confident	102 Å²	102	68.8 Å²	68.8	53%	0.534	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-36.9	176.3	-167.8	70.2	0	0	0	112.5	L890 R894 V895 I896 F900	L890-L892 PolarHBondContact O-N 3.17Å; L892-R894 VanDerWaalsContact C-N 3.31Å; L892-R894 PolarHBondContact O-N 2.9Å; L892-V895 PolarHBondContact O-N 3.34Å; L892-I896 HydrophobicContact CD1-CD1 3.74Å; L892-I896 HydrophobicContact CD1-CG1 4.23Å; L892-I896 HydrophobicContact CD2-CD1 4.34Å; L892-I896 HydrophobicContact CG-CD1 3.71Å; L892-I896 HydrophobicContact CG-CG1 4.37Å; L892-I896 WeakPolarHBondContact O-CB 3.46Å; L892-I896 WeakPolarHBondContact O-CG1 3.31Å; L892-I896 PolarHBondContact O-N 3.42Å; L892-F900 HydrophobicContact CB-CE2 4.05Å; L892-F900 HydrophobicContact CB-CZ 4.32Å; L892-F900 HydrophobicContact CD2-CE2 3.82Å; L892-F900 HydrophobicContact CD2-CZ 3.6Å; L892-F900 HydrophobicContact CG-CE2 4.08Å; L892-F900 HydrophobicContact CG-CZ 3.87Å
893	E	83.8	Confident	83.1	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-34.4	173.5	-64.2	178.5	139.5	0	0	111.6	K889 L890 G897 M898 F900	K889-E893 HydrophobicContact CB-CB 4.25Å; K889-E893 HydrophobicContact CD-CB 4.44Å; L890-E893 HydrophobicContact CB-CB 4.36Å; L890-E893 HydrophobicContact CB-CG 3.99Å; L890-E893 PolarHBondContact N-OE2 2.85Å; L890-E893 WeakPolarHBondContact O-CA 3.01Å; L890-E893 WeakPolarHBondContact O-CB 2.98Å; L890-E893 PolarHBondContact O-N 3.2Å; E893-G897 VanDerWaalsContact O-CA 3.27Å; E893-G897 WeakPolarHBondContact O-CA 3.46Å; E893-G897 PolarHBondContact O-N 3.17Å; E893-M898 WeakPolarHBondContact CA-O 3.5Å; E893-M898 VanDerWaalsContact CB-O 3.31Å; E893-M898 WeakPolarHBondContact CB-O 3.15Å; E893-M898 WeakPolarHBondContact CG-O 3.15Å; E893-M898 PolarHBondContact O-N 3.39Å; E893-F900 HydrophobicContact CG-CD2 3.26Å; E893-F900 HydrophobicContact CG-CE2 3.41Å; E893-F900 VanDerWaalsContact CG-CE2 3.41Å; E893-F900 HydrophobicContact CG-CG 3.97Å; E893-F900 HydrophobicContact CG-CZ 4.23Å; E893-F900 WeakPolarHBondContact OE1-CB 3.39Å; E893-F900 PolarHBondContact OE1-N 3.31Å
894	R	81.6	Confident	82.3	Confident	134 Å²	134	71.7 Å²	71.7	51%	0.506	37%	0.374	S	S	.	.	H	α-helix	trans	-69.8	-41.6	176.9	-159.7	175.5	-165.9	171.2	1.4	111.7	L890 M891 L892 E913	L890-R894 PolarHBondContact O-N 3.35Å; M891-R894 WeakPolarHBondContact O-CB 3.49Å; M891-R894 PolarHBondContact O-N 3.07Å; L892-R894 VanDerWaalsContact C-N 3.31Å; L892-R894 PolarHBondContact O-N 2.9Å; R894-E913 IonicContact NH2-OE2 3.99Å; R894-E913 PolarHBondContact NH2-OE2 2.94Å
895	V	81.8	Confident	81.5	Confident	119 Å²	119	78 Å²	78	72%	0.721	41%	0.408	S	S	*	.	H	α-helix	trans	-73.2	-47.8	179.9	172.6	0	0	0	0	112	M891 L892 G897	M891-V895 WeakPolarHBondContact O-CG2 3.46Å; M891-V895 PolarHBondContact O-N 3.3Å; L892-V895 PolarHBondContact O-N 3.34Å; V895-G897 VanDerWaalsContact C-N 3.3Å
896	I	80.2	Confident	81.3	Confident	56 Å²	56	78 Å²	78	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-77.5	-23	-177.8	-56.7	178.2	0	0	0	110.8	L892 M898	L892-I896 HydrophobicContact CD1-CD1 3.74Å; L892-I896 HydrophobicContact CD1-CG1 4.23Å; L892-I896 HydrophobicContact CD2-CD1 4.34Å; L892-I896 HydrophobicContact CG-CD1 3.71Å; L892-I896 HydrophobicContact CG-CG1 4.37Å; L892-I896 WeakPolarHBondContact O-CB 3.46Å; L892-I896 WeakPolarHBondContact O-CG1 3.31Å; L892-I896 PolarHBondContact O-N 3.42Å; I896-M898 VanDerWaalsContact C-N 3.33Å; I896-M898 HydrophobicContact CG2-CB 4.08Å; I896-M898 HydrophobicContact CG2-CE 3.78Å; I896-M898 HydrophobicContact CG2-CG 3.74Å; I896-M898 HydrophobicContact CG2-SD 3.58Å; I896-M898 VanDerWaalsContact CG2-SD 3.58Å
897	G	77.6	Confident	81.3	Confident	36 Å²	36	75.3 Å²	75.3	37%	0.371	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	31.4	-176.2	0	0	0	0	0	112.4	R538 E893 V895	R538-G897 PolarHBondContact NH2-O 2.03Å; E893-G897 VanDerWaalsContact O-CA 3.27Å; E893-G897 WeakPolarHBondContact O-CA 3.46Å; E893-G897 PolarHBondContact O-N 3.17Å; V895-G897 VanDerWaalsContact C-N 3.3Å
898	M	83	Confident	81.4	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.069	38%	0.382	C	S	.	.			trans	-131.4	138	-178.5	-65	-180	-163.7	0	0	110.1	Y527 L530 K531 E893 I896	Y527-M898 HydrophobicContact CD2-CE 4.47Å; Y527-M898 HydrophobicContact CE2-CE 4Å; L530-M898 HydrophobicContact CB-CE 3.99Å; L530-M898 HydrophobicContact CB-SD 3.81Å; K531-M898 HydrophobicContact CB-CE 4.17Å; K531-M898 HydrophobicContact CG-CE 3.43Å; K531-M898 VanDerWaalsContact CG-CE 3.43Å; E893-M898 WeakPolarHBondContact CA-O 3.5Å; E893-M898 VanDerWaalsContact CB-O 3.31Å; E893-M898 WeakPolarHBondContact CB-O 3.15Å; E893-M898 WeakPolarHBondContact CG-O 3.15Å; E893-M898 PolarHBondContact O-N 3.39Å; I896-M898 VanDerWaalsContact C-N 3.33Å; I896-M898 HydrophobicContact CG2-CB 4.08Å; I896-M898 HydrophobicContact CG2-CE 3.78Å; I896-M898 HydrophobicContact CG2-CG 3.74Å; I896-M898 HydrophobicContact CG2-SD 3.58Å; I896-M898 VanDerWaalsContact CG2-SD 3.58Å
899	E	82.4	Confident	81.7	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.047	35%	0.35	C	S	.	.			trans	-89.1	134.7	178.1	-55.7	73	-152.4	0	0	111.2	R537 R538 F774 K889 Y910	R537-E899 PolarHBondContact NH1-O 3.22Å; R538-E899 IonicContact CZ-OE1 3.73Å; R538-E899 IonicContact CZ-OE2 2.69Å; R538-E899 VanDerWaalsContact CZ-OE2 3.29Å; R538-E899 IonicContact NE-OE1 2.62Å; R538-E899 IonicContact NE-OE2 3.15Å; R538-E899 PolarHBondContact NE-OE2 3.2Å; R538-E899 VanDerWaalsContact NH2-CD 3.33Å; R538-E899 IonicContact NH2-OE1 3.69Å; R538-E899 PolarHBondContact NH2-OE1 3.11Å; R538-E899 IonicContact NH2-OE2 2.77Å; R538-E899 PolarHBondContact NH2-OE2 3.4Å; F774-E899 VanDerWaalsContact CE2-OE1 3.3Å; F774-E899 WeakPolarHBondContact CE2-OE1 3.15Å; K889-E899 IonicContact NZ-OE1 3.57Å; K889-E899 PolarHBondContact NZ-OE1 3.25Å; E899-Y910 HydrophobicContact CG-CE2 4.36Å
900	F	78.5	Confident	82	Confident	88 Å²	88	65.4 Å²	65.4	39%	0.386	34%	0.344	S	S	.	.	S	Bend	trans	-87.3	-25.1	177.6	-60.4	-45.3	0	0	0	113.4	R537 L890 L892 E893	R537-F900 PolarHBondContact NH1-O 3.46Å; L890-F900 HydrophobicContact CD1-CD2 4.36Å; L892-F900 HydrophobicContact CB-CE2 4.05Å; L892-F900 HydrophobicContact CB-CZ 4.32Å; L892-F900 HydrophobicContact CD2-CE2 3.82Å; L892-F900 HydrophobicContact CD2-CZ 3.6Å; L892-F900 HydrophobicContact CG-CE2 4.08Å; L892-F900 HydrophobicContact CG-CZ 3.87Å; E893-F900 HydrophobicContact CG-CD2 3.26Å; E893-F900 HydrophobicContact CG-CE2 3.41Å; E893-F900 VanDerWaalsContact CG-CE2 3.41Å; E893-F900 HydrophobicContact CG-CG 3.97Å; E893-F900 HydrophobicContact CG-CZ 4.23Å; E893-F900 WeakPolarHBondContact OE1-CB 3.39Å; E893-F900 PolarHBondContact OE1-N 3.31Å
901	M	74.2	Confident	82.3	Confident	96 Å²	96	62 Å²	62	47%	0.473	33%	0.329	S	S	.	.	S	Bend	trans	-109.8	141.2	-178.4	-60	-174.4	73.7	0	0	112.2
902	E	71.9	Confident	82.5	Confident	100 Å²	100	55.3 Å²	55.3	47%	0.467	30%	0.296	S	S	.	.			trans	-95.7	140.7	172.6	-164.4	170.1	179.7	0	0	110.4	A540 A904	A540-E902 WeakPolarHBondContact CA-OE1 3.31Å; E902-A904 PolarHBondContact O-N 2.88Å; E902-A904 VanDerWaalsContact O-N 3.11Å
903	P	73.4	Confident	82.6	Confident	22 Å²	22	56.3 Å²	56.3	14%	0.143	30%	0.298	C	S	.	.			trans	-71.8	101.4	175.7	27.6	-32.5	0	0	0	110.9	A823 T825 K906 Y908	A823-P903 HydrophobicContact CB-CG 4.15Å; T825-P903 HydrophobicContact CG2-CB 4.43Å; P903-K906 VanDerWaalsContact CB-O 3.3Å; P903-K906 WeakPolarHBondContact CB-O 3.32Å; P903-Y908 VanDerWaalsContact CA-CE2 3.45Å; P903-Y908 HydrophobicContact CB-CD2 3.74Å; P903-Y908 HydrophobicContact CB-CE2 3.79Å; P903-Y908 HydrophobicContact CG-CD2 4.5Å
904	A	70.1	Confident	82.5	Confident	82 Å²	82	59.8 Å²	59.8	68%	0.678	33%	0.327	S	S	*	.	S	Bend	trans	-80.6	-59.4	177.3	0	0	0	0	0	112	E902	E902-A904 PolarHBondContact O-N 2.88Å; E902-A904 VanDerWaalsContact O-N 3.11Å
905	D	77.5	Confident	82.9	Confident	144 Å²	144	55.1 Å²	55.1	77%	0.77	31%	0.31	S	S	*	.	S	Bend	trans	-102.9	-39.1	-171.5	-62.3	-34.8	0	0	0	113.9
906	K	86.8	Confident	83.3	Confident	80 Å²	80	50.1 Å²	50.1	35%	0.348	28%	0.281	S	S	.	.	S	Bend	trans	-126.2	152.9	179.8	-66.6	-167.6	177.8	-160.3	0	111.3	D883 M885 P903	D883-K906 HydrophobicContact CB-CD 4.32Å; D883-K906 IonicContact OD2-NZ 2.76Å; D883-K906 PolarHBondContact OD2-NZ 3.49Å; M885-K906 HydrophobicContact CE-CB 4Å; M885-K906 HydrophobicContact CE-CD 4.01Å; M885-K906 HydrophobicContact CE-CG 4.42Å; P903-K906 VanDerWaalsContact CB-O 3.3Å; P903-K906 WeakPolarHBondContact CB-O 3.32Å
907	S	91.4	Very high	83.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	148.2	173.1	-57.4	0	0	0	0	110.5	A823 I824 T825 D883 Y884 M885	A823-S907 CarbonylContact O-C 3.57Å; A823-S907 WeakPolarHBondContact O-CA 3.05Å; I824-S907 WeakPolarHBondContact CA-OG 3.01Å; T825-S907 PolarHBondContact N-OG 2.81Å; D883-S907 PolarHBondContact O-N 3.41Å; Y884-S907 CarbonylContact C-O 3.54Å; Y884-S907 WeakPolarHBondContact CA-O 3.39Å; M885-S907 PolarHBondContact N-O 3.03Å
908	Y	91.9	Very high	84.5	Confident	28 Å²	28	46.4 Å²	46.4	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.2	179.1	-60.6	-48.7	0	0	0	111.4	V822 A823 M885 P903	V822-Y908 WeakPolarHBondContact CA-O 3.33Å; A823-Y908 PolarHBondContact N-O 2.9Å; A823-Y908 PolarHBondContact O-N 3.25Å; M885-Y908 HydrophobicContact CE-CE1 3.89Å; M885-Y908 HydrophobicContact CG-CD1 3.51Å; M885-Y908 HydrophobicContact CG-CE1 3.79Å; M885-Y908 HydrophobicContact SD-CD1 3.88Å; M885-Y908 HydrophobicContact SD-CE1 3.55Å; M885-Y908 VanDerWaalsContact SD-CE1 3.55Å; P903-Y908 VanDerWaalsContact CA-CE2 3.45Å; P903-Y908 HydrophobicContact CB-CD2 3.74Å; P903-Y908 HydrophobicContact CB-CE2 3.79Å; P903-Y908 HydrophobicContact CG-CD2 4.5Å
909	F	93.1	Very high	84.9	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	105.9	171.6	-81.3	52	0	0	0	107.7	Y777 L811 F820 V822 I875 Y884 M885 V886 K887	Y777-F909 HydrophobicContact CD1-CD2 4.22Å; Y777-F909 AromaticContact CD1-CE2 3.73Å; Y777-F909 HydrophobicContact CD1-CE2 3.73Å; Y777-F909 HydrophobicContact CE1-CE2 4.32Å; Y777-F909 AromaticContact CG-CE2 3.96Å; Y777-F909 HydrophobicContact CG-CE2 3.96Å; L811-F909 HydrophobicContact CD2-CD2 4Å; L811-F909 HydrophobicContact CD2-CE2 4.38Å; F820-F909 HydrophobicContact CB-CB 4.48Å; F820-F909 HydrophobicContact CB-CD2 4.16Å; F820-F909 HydrophobicContact CD1-CB 4.25Å; F820-F909 HydrophobicContact CG-CD2 4.28Å; V822-F909 HydrophobicContact CB-CE1 4.43Å; V822-F909 HydrophobicContact CG1-CD1 3.77Å; V822-F909 HydrophobicContact CG1-CE1 3.41Å; V822-F909 VanDerWaalsContact CG1-CE1 3.41Å; V822-F909 HydrophobicContact CG1-CG 4.47Å; V822-F909 HydrophobicContact CG1-CZ 3.85Å; V822-F909 HydrophobicContact CG2-CD1 4.19Å; V822-F909 HydrophobicContact CG2-CD2 3.91Å; V822-F909 HydrophobicContact CG2-CE1 4.13Å; V822-F909 HydrophobicContact CG2-CE2 3.85Å; V822-F909 HydrophobicContact CG2-CG 4.08Å; V822-F909 HydrophobicContact CG2-CZ 3.96Å; I875-F909 HydrophobicContact CD1-CE2 3.9Å; I875-F909 HydrophobicContact CD1-CZ 3.91Å; Y884-F909 HydrophobicContact CD1-CE1 4.43Å; Y884-F909 HydrophobicContact CD2-CB 4.07Å; Y884-F909 AromaticContact CD2-CD1 3.44Å; Y884-F909 HydrophobicContact CD2-CD1 3.44Å; Y884-F909 VanDerWaalsContact CD2-CD1 3.44Å; Y884-F909 HydrophobicContact CD2-CD2 4.03Å; Y884-F909 AromaticContact CD2-CE1 3.78Å; Y884-F909 HydrophobicContact CD2-CE1 3.78Å; Y884-F909 HydrophobicContact CD2-CE2 4.32Å; Y884-F909 AromaticContact CD2-CG 3.58Å; Y884-F909 HydrophobicContact CD2-CG 3.58Å; Y884-F909 HydrophobicContact CD2-CZ 4.22Å; Y884-F909 HydrophobicContact CE2-CD1 4.31Å; Y884-F909 HydrophobicContact CE2-CD2 4.09Å; Y884-F909 HydrophobicContact CE2-CE2 4.35Å; Y884-F909 HydrophobicContact CE2-CG 4.07Å; Y884-F909 AromaticContact CG-CD1 3.75Å; Y884-F909 HydrophobicContact CG-CD1 3.75Å; Y884-F909 AromaticContact CG-CE1 3.7Å; Y884-F909 HydrophobicContact CG-CE1 3.7Å; Y884-F909 HydrophobicContact CG-CG 4.35Å; Y884-F909 HydrophobicContact CG-CZ 4.24Å; M885-F909 PolarHBondContact O-N 2.79Å; V886-F909 CarbonylContact C-O 3.47Å; V886-F909 VanDerWaalsContact CA-O 3.27Å; V886-F909 WeakPolarHBondContact CA-O 3.2Å; V886-F909 HydrophobicContact CG2-CB 4.18Å; K887-F909 PolarHBondContact N-O 2.92Å
910	Y	91.8	Very high	85.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120	179.2	-61.6	-78.5	0	0	0	110.8	F820 Q821 A823 K887 K889 E899 D912	F820-Y910 CarbonylContact C-O 3.59Å; F820-Y910 WeakPolarHBondContact CA-O 3.15Å; Q821-Y910 PolarHBondContact N-O 3.21Å; Q821-Y910 PolarHBondContact O-N 3.42Å; A823-Y910 HydrophobicContact CB-CE2 4.31Å; K887-Y910 HydrophobicContact CB-CD1 4.35Å; K887-Y910 HydrophobicContact CB-CE1 4.35Å; K887-Y910 HydrophobicContact CD-CE1 4.23Å; K887-Y910 WeakPolarHBondContact O-CA 3.22Å; K889-Y910 HydrophobicContact CB-CD1 4.47Å; K889-Y910 HydrophobicContact CD-CD1 4.46Å; K889-Y910 HydrophobicContact CD-CG 4.36Å; K889-Y910 HydrophobicContact CG-CD1 3.43Å; K889-Y910 VanDerWaalsContact CG-CD1 3.43Å; K889-Y910 HydrophobicContact CG-CE1 4.02Å; K889-Y910 HydrophobicContact CG-CG 3.74Å; E899-Y910 HydrophobicContact CG-CE2 4.36Å; Y910-D912 PolarHBondContact O-N 3.43Å
911	S	91.4	Very high	86.1	Confident	31 Å²	31	45 Å²	45	22%	0.217	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	127.9	174.9	-61.5	0	0	0	0	111.1	K887	K887-S911 PolarHBondContact O-N 2.72Å
912	D	87.9	Confident	87.1	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.037	23%	0.23	C	C	.	.			trans	-131.7	90	-172.7	175.7	35.5	0	0	0	112.3	T819 Q821 Y910 A914 S916	T819-D912 WeakPolarHBondContact CB-O 3.42Å; T819-D912 WeakPolarHBondContact O-CB 3.03Å; T819-D912 PolarHBondContact O-N 3.23Å; T819-D912 PolarHBondContact OG1-O 2.87Å; Q821-D912 HydrophobicContact CG-CB 4.19Å; Y910-D912 PolarHBondContact O-N 3.43Å; D912-A914 VanDerWaalsContact C-N 3.28Å; D912-A914 PolarHBondContact O-N 3.23Å; D912-A914 PolarHBondContact OD1-N 2.99Å; D912-S916 PolarHBondContact OD1-N 3.11Å; D912-S916 PolarHBondContact OD1-OG 3.44Å; D912-S916 WeakPolarHBondContact OD2-CA 3.47Å; D912-S916 VanDerWaalsContact OD2-CB 3.24Å; D912-S916 WeakPolarHBondContact OD2-CB 3.4Å; D912-S916 PolarHBondContact OD2-N 3.49Å; D912-S916 PolarHBondContact OD2-OG 2.91Å
913	E	83.5	Confident	88	Confident	124 Å²	124	37.1 Å²	37.1	58%	0.579	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.9	176.7	-61.3	169.5	149.6	0	0	113.5	I817 R894 H915	I817-E913 HydrophobicContact CD1-CG 4.43Å; R894-E913 IonicContact NH2-OE2 3.99Å; R894-E913 PolarHBondContact NH2-OE2 2.94Å; E913-H915 VanDerWaalsContact C-N 3.31Å; E913-H915 PolarHBondContact O-N 2.83Å
914	A	82.8	Confident	88.9	Confident	72 Å²	72	37.3 Å²	37.3	60%	0.595	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	5.1	-174.2	0	0	0	0	0	113.2	D912 S916	D912-A914 VanDerWaalsContact C-N 3.28Å; D912-A914 PolarHBondContact O-N 3.23Å; D912-A914 PolarHBondContact OD1-N 2.99Å; A914-S916 VanDerWaalsContact C-N 3.33Å; A914-S916 PolarHBondContact O-N 3.43Å
915	H	89.1	Confident	90	Very high	36 Å²	36	34.2 Å²	34.2	17%	0.167	19%	0.19	C	C	.	.			trans	50.6	49.4	-178.4	-54.4	-49	0	0	0	113.1	I752 T819 E913 F917 S918	I752-H915 HydrophobicContact CG2-CB 3.48Å; I752-H915 VanDerWaalsContact CG2-CB 3.48Å; T819-H915 PolarHBondContact OG1-ND1 2.93Å; E913-H915 VanDerWaalsContact C-N 3.31Å; E913-H915 PolarHBondContact O-N 2.83Å; H915-F917 HydrophobicContact CB-CD1 4.08Å; H915-F917 HydrophobicContact CB-CE1 3.76Å; H915-F917 PolarHBondContact O-N 3.18Å; H915-S918 WeakPolarHBondContact O-CB 3.06Å; H915-S918 PolarHBondContact O-N 3.28Å; H915-S918 VanDerWaalsContact O-N 3.09Å; H915-S918 PolarHBondContact O-OG 2.71Å
916	S	89.8	Confident	90.8	Very high	14 Å²	14	28 Å²	28	10%	0.098	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.4	-13.2	-177.3	69	0	0	0	0	114.7	Y776 Q821 D912 A914 S918 N919	Y776-S916 VanDerWaalsContact CE1-OG 3.26Å; Y776-S916 WeakPolarHBondContact CE1-OG 3.48Å; Q821-S916 VanDerWaalsContact CG-OG 3.25Å; Q821-S916 WeakPolarHBondContact CG-OG 3.22Å; Q821-S916 PolarHBondContact NE2-OG 2.5Å; D912-S916 PolarHBondContact OD1-N 3.11Å; D912-S916 PolarHBondContact OD1-OG 3.44Å; D912-S916 WeakPolarHBondContact OD2-CA 3.47Å; D912-S916 VanDerWaalsContact OD2-CB 3.24Å; D912-S916 WeakPolarHBondContact OD2-CB 3.4Å; D912-S916 PolarHBondContact OD2-N 3.49Å; D912-S916 PolarHBondContact OD2-OG 2.91Å; A914-S916 VanDerWaalsContact C-N 3.33Å; A914-S916 PolarHBondContact O-N 3.43Å; S916-S918 PolarHBondContact O-N 2.88Å; S916-S918 VanDerWaalsContact O-N 3.09Å; S916-N919 VanDerWaalsContact O-CB 3.24Å; S916-N919 WeakPolarHBondContact O-CB 3.26Å; S916-N919 VanDerWaalsContact O-CG 3.25Å; S916-N919 PolarHBondContact O-N 3.09Å; S916-N919 PolarHBondContact O-ND2 3.21Å; S916-N919 VanDerWaalsContact O-ND2 3.13Å
917	F	92.4	Very high	91.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-57	-22.7	170.2	77.5	-95.1	0	0	0	112.5	W666 I752 F755 V756 L768 Y776 I778 T819 H915 N919 V920 L921	W666-F917 HydrophobicContact CH2-CD2 4.19Å; W666-F917 AromaticContact CZ3-CD2 3.91Å; W666-F917 HydrophobicContact CZ3-CD2 3.91Å; W666-F917 AromaticContact CZ3-CE2 3.96Å; W666-F917 HydrophobicContact CZ3-CE2 3.96Å; I752-F917 HydrophobicContact CG2-CE1 3.75Å; I752-F917 HydrophobicContact CG2-CE2 4.33Å; I752-F917 HydrophobicContact CG2-CZ 3.5Å; I752-F917 VanDerWaalsContact CG2-CZ 3.5Å; F755-F917 HydrophobicContact CD1-CE2 4.33Å; F755-F917 HydrophobicContact CD1-CZ 4.28Å; V756-F917 HydrophobicContact CG2-CE1 3.83Å; V756-F917 HydrophobicContact CG2-CZ 4.12Å; L768-F917 HydrophobicContact CD1-CB 4.25Å; Y776-F917 HydrophobicContact CD1-CB 3.97Å; Y776-F917 HydrophobicContact CD2-CB 4.21Å; Y776-F917 HydrophobicContact CG-CB 3.69Å; I778-F917 HydrophobicContact CD1-CD1 4.1Å; I778-F917 HydrophobicContact CD1-CD2 4.04Å; I778-F917 HydrophobicContact CD1-CE1 4.09Å; I778-F917 HydrophobicContact CD1-CE2 4.04Å; I778-F917 HydrophobicContact CD1-CG 4.07Å; I778-F917 HydrophobicContact CD1-CZ 4.04Å; I778-F917 HydrophobicContact CG1-CD1 4.43Å; T819-F917 HydrophobicContact CG2-CD1 4.08Å; T819-F917 HydrophobicContact CG2-CE1 4.04Å; H915-F917 HydrophobicContact CB-CD1 4.08Å; H915-F917 HydrophobicContact CB-CE1 3.76Å; H915-F917 PolarHBondContact O-N 3.18Å; F917-N919 PolarHBondContact O-N 2.88Å; F917-V920 WeakPolarHBondContact O-CB 3.06Å; F917-V920 PolarHBondContact O-N 2.61Å; F917-L921 HydrophobicContact CE2-CD1 4.42Å
918	S	92	Very high	91.2	Very high	13 Å²	13	28.4 Å²	28.4	9%	0.091	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-56.3	-17.5	171.4	60.4	0	0	0	0	114	H915 S916 V920 L921 G924	H915-S918 WeakPolarHBondContact O-CB 3.06Å; H915-S918 PolarHBondContact O-N 3.28Å; H915-S918 VanDerWaalsContact O-N 3.09Å; H915-S918 PolarHBondContact O-OG 2.71Å; S916-S918 PolarHBondContact O-N 2.88Å; S916-S918 VanDerWaalsContact O-N 3.09Å; S918-V920 PolarHBondContact O-N 3.05Å; S918-L921 CarbonylContact O-C 3.55Å; S918-L921 WeakPolarHBondContact O-CA 3.49Å; S918-L921 WeakPolarHBondContact O-CB 3.44Å; S918-L921 PolarHBondContact O-N 2.94Å; S918-G924 WeakPolarHBondContact O-CA 3.12Å; S918-G924 PolarHBondContact O-N 3.36Å
919	N	91.2	Very high	91.4	Very high	74 Å²	74	27.5 Å²	27.5	40%	0.396	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-61.6	-20.6	171.9	-73.4	-31	0	0	0	114.1	S916 F917 L921 N925	S916-N919 VanDerWaalsContact O-CB 3.24Å; S916-N919 WeakPolarHBondContact O-CB 3.26Å; S916-N919 VanDerWaalsContact O-CG 3.25Å; S916-N919 PolarHBondContact O-N 3.09Å; S916-N919 PolarHBondContact O-ND2 3.21Å; S916-N919 VanDerWaalsContact O-ND2 3.13Å; F917-N919 PolarHBondContact O-N 2.88Å; N919-L921 VanDerWaalsContact C-N 3.29Å; N919-N925 PolarHBondContact O-ND2 2.95Å
920	V	93.1	Very high	91.6	Very high	7 Å²	7	28 Å²	28	4%	0.042	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-80.4	-14.6	173	174.2	0	0	0	0	112	Q620 V623 W666 Y776 F917 S918 R965	Q620-V920 WeakPolarHBondContact CG-O 3.4Å; V623-V920 HydrophobicContact CB-CG1 4.04Å; V623-V920 HydrophobicContact CG1-CG1 4.02Å; V623-V920 HydrophobicContact CG2-CG1 3.57Å; V623-V920 HydrophobicContact CG2-CG2 4.27Å; W666-V920 HydrophobicContact CZ2-CG1 4.3Å; Y776-V920 HydrophobicContact CD2-CG2 4.03Å; Y776-V920 HydrophobicContact CE2-CG2 3.77Å; F917-V920 WeakPolarHBondContact O-CB 3.06Å; F917-V920 PolarHBondContact O-N 2.61Å; S918-V920 PolarHBondContact O-N 3.05Å; V920-R965 PolarHBondContact O-NH2 3.18Å
921	L	93.6	Very high	91.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-105.5	168.2	-177.9	-48.3	174	0	0	0	110.4	Q620 W666 L669 Q670 I752 F917 S918 N919 Y923 N925	Q620-L921 PolarHBondContact NE2-O 2.85Å; W666-L921 HydrophobicContact CH2-CD2 4.1Å; W666-L921 HydrophobicContact CZ2-CD2 3.98Å; L669-L921 HydrophobicContact CB-CD1 4.1Å; Q670-L921 HydrophobicContact CG-CD2 4.37Å; I752-L921 HydrophobicContact CD1-CD1 4.09Å; F917-L921 HydrophobicContact CE2-CD1 4.42Å; S918-L921 CarbonylContact O-C 3.55Å; S918-L921 WeakPolarHBondContact O-CA 3.49Å; S918-L921 WeakPolarHBondContact O-CB 3.44Å; S918-L921 PolarHBondContact O-N 2.94Å; N919-L921 VanDerWaalsContact C-N 3.29Å; L921-Y923 PolarHBondContact O-N 3.32Å; L921-N925 PolarHBondContact O-ND2 3.2Å; L921-N925 VanDerWaalsContact O-ND2 3.16Å
922	F	94.2	Very high	92.2	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.039	17%	0.17	C	C	.	.	S	Bend	trans	-59.7	-36.5	169.6	-79.8	0.9	0	0	0	112	L617 R673 G924 N925 E926 L929 R965	L617-F922 HydrophobicContact CD1-CE1 4.2Å; L617-F922 HydrophobicContact CD1-CZ 4.34Å; R673-F922 HydrophobicContact CG-CB 4.08Å; R673-F922 HydrophobicContact CG-CD2 4.37Å; F922-G924 VanDerWaalsContact C-N 3.32Å; F922-G924 PolarHBondContact O-N 3.08Å; F922-N925 CarbonylContact O-C 3.58Å; F922-N925 PolarHBondContact O-N 2.91Å; F922-E926 PolarHBondContact O-N 2.92Å; F922-L929 HydrophobicContact CB-CD1 3.82Å; F922-L929 HydrophobicContact CD1-CD1 4.21Å; F922-L929 HydrophobicContact CD2-CD1 4.26Å; F922-L929 HydrophobicContact CE1-CD2 4.49Å; F922-L929 HydrophobicContact CG-CD1 3.87Å; F922-R965 HydrophobicContact CD1-CG 4.25Å; F922-R965 HydrophobicContact CE1-CB 4.07Å; F922-R965 HydrophobicContact CE1-CG 3.63Å; F922-R965 HydrophobicContact CE2-CB 3.96Å; F922-R965 HydrophobicContact CE2-CG 3.96Å; F922-R965 HydrophobicContact CZ-CB 3.46Å; F922-R965 VanDerWaalsContact CZ-CB 3.46Å; F922-R965 HydrophobicContact CZ-CG 3.48Å; F922-R965 VanDerWaalsContact CZ-CG 3.48Å
923	Y	91.9	Very high	92.7	Very high	23 Å²	23	28 Å²	28	9%	0.09	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-49.6	-44.7	179.5	-164.3	-93.8	0	0	0	114.3	I672 K674 E745 I752 L921 N925	I672-Y923 HydrophobicContact CG2-CD2 4.22Å; I672-Y923 PolarHBondContact O-N 3.38Å; K674-Y923 HydrophobicContact CB-CE2 4.5Å; K674-Y923 HydrophobicContact CD-CE1 4.36Å; K674-Y923 VanDerWaalsContact CE-O 3.28Å; K674-Y923 WeakPolarHBondContact CE-O 3.42Å; K674-Y923 HydrophobicContact CG-CD1 4.14Å; K674-Y923 HydrophobicContact CG-CD2 3.71Å; K674-Y923 HydrophobicContact CG-CE1 4.04Å; K674-Y923 HydrophobicContact CG-CE2 3.6Å; K674-Y923 HydrophobicContact CG-CG 4Å; E745-Y923 PolarHBondContact OE1-OH 3.25Å; I752-Y923 HydrophobicContact CD1-CD1 4.08Å; I752-Y923 HydrophobicContact CD1-CE1 4.45Å; I752-Y923 HydrophobicContact CD1-CG 4.14Å; I752-Y923 HydrophobicContact CG1-CD1 3.8Å; I752-Y923 HydrophobicContact CG1-CE1 3.68Å; I752-Y923 HydrophobicContact CG1-CE2 4.42Å; I752-Y923 HydrophobicContact CG1-CG 4.22Å; L921-Y923 PolarHBondContact O-N 3.32Å; Y923-N925 VanDerWaalsContact C-N 3.33Å; Y923-N925 PolarHBondContact O-N 3.38Å
924	G	90.6	Very high	93.4	Very high	25 Å²	25	22.1 Å²	22.1	26%	0.258	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-78.3	-10.4	-179.9	0	0	0	0	0	114.9	S918 F922	S918-G924 WeakPolarHBondContact O-CA 3.12Å; S918-G924 PolarHBondContact O-N 3.36Å; F922-G924 VanDerWaalsContact C-N 3.32Å; F922-G924 PolarHBondContact O-N 3.08Å
925	N	93.8	Very high	94.1	Very high	17 Å²	17	18.7 Å²	18.7	9%	0.091	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-119.6	26.6	-174.9	-62.7	-96.9	0	0	0	112.9	K616 Q620 N919 L921 F922 Y923 A927 T928 L929	K616-N925 PolarHBondContact NZ-OD1 3.43Å; Q620-N925 PolarHBondContact NE2-ND2 3.36Å; N919-N925 PolarHBondContact O-ND2 2.95Å; L921-N925 PolarHBondContact O-ND2 3.2Å; L921-N925 VanDerWaalsContact O-ND2 3.16Å; F922-N925 CarbonylContact O-C 3.58Å; F922-N925 PolarHBondContact O-N 2.91Å; Y923-N925 VanDerWaalsContact C-N 3.33Å; Y923-N925 PolarHBondContact O-N 3.38Å; N925-A927 VanDerWaalsContact C-N 3.31Å; N925-A927 PolarHBondContact O-N 3.14Å; N925-T928 PolarHBondContact O-N 3.25Å; N925-L929 PolarHBondContact O-N 3.3Å
926	E	93.8	Very high	94.5	Very high	14 Å²	14	19 Å²	19	7%	0.065	11%	0.114	C	C	.	.	H	α-helix	trans	-52	-44.6	-176.1	-173.1	59.4	-127.3	0	0	113.2	R673 K674 I675 F922 T928 L929 L930	R673-E926 VanDerWaalsContact CB-OE2 3.28Å; R673-E926 WeakPolarHBondContact CB-OE2 3.21Å; R673-E926 IonicContact CZ-OE1 3.15Å; R673-E926 VanDerWaalsContact CZ-OE1 3.23Å; R673-E926 IonicContact NE-OE1 3.9Å; R673-E926 PolarHBondContact NE-OE1 2.97Å; R673-E926 IonicContact NE-OE2 2.92Å; R673-E926 PolarHBondContact NE-OE2 3.05Å; R673-E926 IonicContact NH2-OE1 3.93Å; R673-E926 PolarHBondContact NH2-OE1 3.36Å; K674-E926 HydrophobicContact CB-CB 4.28Å; K674-E926 HydrophobicContact CB-CG 4.03Å; K674-E926 HydrophobicContact CD-CB 4.3Å; K674-E926 HydrophobicContact CG-CB 4.48Å; K674-E926 PolarHBondContact N-OE2 3.1Å; I675-E926 WeakPolarHBondContact CD1-OE1 3.5Å; I675-E926 VanDerWaalsContact CG1-OE1 3.28Å; I675-E926 WeakPolarHBondContact CG1-OE1 3.19Å; I675-E926 HydrophobicContact CG2-CG 4.48Å; F922-E926 PolarHBondContact O-N 2.92Å; E926-T928 VanDerWaalsContact C-N 3.27Å; E926-T928 PolarHBondContact O-N 3.22Å; E926-L929 PolarHBondContact O-N 3.04Å; E926-L930 WeakPolarHBondContact O-CB 3.24Å; E926-L930 PolarHBondContact O-N 2.64Å
927	A	93.4	Very high	94.9	Very high	67 Å²	67	18.3 Å²	18.3	55%	0.554	11%	0.11	S	C	*	.	H	α-helix	trans	-60.1	-36	-179.9	0	0	0	0	0	113	N925 I931	N925-A927 VanDerWaalsContact C-N 3.31Å; N925-A927 PolarHBondContact O-N 3.14Å; A927-I931 WeakPolarHBondContact O-CB 3.37Å; A927-I931 WeakPolarHBondContact O-CD1 3.38Å; A927-I931 VanDerWaalsContact O-CG1 3.22Å; A927-I931 WeakPolarHBondContact O-CG1 3.43Å; A927-I931 PolarHBondContact O-N 2.83Å
928	T	95.1	Very high	95.2	Very high	22 Å²	22	18.2 Å²	18.2	14%	0.135	11%	0.11	C	C	.	.	H	α-helix	trans	-71.2	-42	178.3	-61.4	0	0	0	0	111	N925 E926 F932	N925-T928 PolarHBondContact O-N 3.25Å; E926-T928 VanDerWaalsContact C-N 3.27Å; E926-T928 PolarHBondContact O-N 3.22Å; T928-F932 WeakPolarHBondContact O-CB 3.37Å; T928-F932 PolarHBondContact O-N 3.39Å; T928-F932 VanDerWaalsContact O-N 3.08Å
929	L	95.8	Very high	95.5	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.052	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-45.6	177.3	-64.3	169.8	0	0	0	111	F613 R673 F922 N925 E926 F932 D933	F613-L929 HydrophobicContact CD2-CD2 3.92Å; F613-L929 HydrophobicContact CE2-CD2 3.31Å; F613-L929 HydrophobicContact CZ-CD2 4.09Å; R673-L929 HydrophobicContact CG-CD1 4.05Å; R673-L929 VanDerWaalsContact NH2-CB 3.33Å; F922-L929 HydrophobicContact CB-CD1 3.82Å; F922-L929 HydrophobicContact CD1-CD1 4.21Å; F922-L929 HydrophobicContact CD2-CD1 4.26Å; F922-L929 HydrophobicContact CE1-CD2 4.49Å; F922-L929 HydrophobicContact CG-CD1 3.87Å; N925-L929 PolarHBondContact O-N 3.3Å; E926-L929 PolarHBondContact O-N 3.04Å; L929-F932 PolarHBondContact O-N 2.97Å; L929-D933 PolarHBondContact O-N 3.45Å
930	L	96.9	Very high	95.8	Very high	20 Å²	20	17.5 Å²	17.5	11%	0.105	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-49.8	178.3	178.8	66.9	0	0	0	111.8	I675 W729 A733 E926 F932 D933 I934	I675-L930 HydrophobicContact CD1-CD1 4.01Å; W729-L930 HydrophobicContact CE3-CD1 4.01Å; W729-L930 HydrophobicContact CZ3-CD1 4.37Å; A733-L930 HydrophobicContact CB-CD1 3.78Å; A733-L930 HydrophobicContact CB-CD2 3.41Å; A733-L930 VanDerWaalsContact CB-CD2 3.41Å; A733-L930 HydrophobicContact CB-CG 4.24Å; E926-L930 WeakPolarHBondContact O-CB 3.24Å; E926-L930 PolarHBondContact O-N 2.64Å; L930-F932 VanDerWaalsContact C-N 3.26Å; L930-F932 PolarHBondContact O-N 2.92Å; L930-D933 PolarHBondContact O-N 3.4Å; L930-I934 HydrophobicContact CD1-CD1 4.08Å; L930-I934 HydrophobicContact CD1-CG1 4.27Å; L930-I934 HydrophobicContact CD2-CD1 4.46Å; L930-I934 HydrophobicContact CG-CD1 3.84Å; L930-I934 HydrophobicContact CG-CG1 4.39Å; L930-I934 WeakPolarHBondContact O-CG1 3.49Å; L930-I934 PolarHBondContact O-N 2.82Å
931	I	97.7	Very high	95.9	Very high	26 Å²	26	17.2 Å²	17.2	13%	0.133	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-38.2	178.8	-68.1	167.8	0	0	0	110.9	F565 K609 A927 I934 L935	F565-I931 HydrophobicContact CB-CG2 4.44Å; F565-I931 HydrophobicContact CD1-CD1 4.29Å; F565-I931 HydrophobicContact CD1-CG1 4.22Å; F565-I931 HydrophobicContact CD1-CG2 4.17Å; F565-I931 HydrophobicContact CD2-CG2 4.06Å; F565-I931 HydrophobicContact CE1-CD1 4.35Å; F565-I931 HydrophobicContact CE1-CG1 3.94Å; F565-I931 HydrophobicContact CE1-CG2 4.45Å; F565-I931 HydrophobicContact CE2-CG2 4.35Å; F565-I931 HydrophobicContact CG-CG2 3.95Å; F565-I931 HydrophobicContact CZ-CG1 4.29Å; K609-I931 HydrophobicContact CD-CG2 4.01Å; K609-I931 HydrophobicContact CG-CG2 4.22Å; A927-I931 WeakPolarHBondContact O-CB 3.37Å; A927-I931 WeakPolarHBondContact O-CD1 3.38Å; A927-I931 VanDerWaalsContact O-CG1 3.22Å; A927-I931 WeakPolarHBondContact O-CG1 3.43Å; A927-I931 PolarHBondContact O-N 2.83Å; I931-I934 PolarHBondContact O-N 3.06Å; I931-L935 HydrophobicContact CG2-CD1 3.75Å; I931-L935 HydrophobicContact CG2-CG 4.31Å; I931-L935 WeakPolarHBondContact O-CB 3.25Å; I931-L935 WeakPolarHBondContact O-CG 3.22Å; I931-L935 PolarHBondContact O-N 2.72Å
932	F	97.9	Very high	96	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.039	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-47.7	175.1	177.6	-107.5	0	0	0	111.9	F606 K609 A610 F613 T928 L929 L930 I934 L935 F936 Q957 F961	F606-F932 HydrophobicContact CD2-CE2 4.47Å; F606-F932 HydrophobicContact CE2-CD2 4.27Å; F606-F932 AromaticContact CE2-CE2 3.71Å; F606-F932 HydrophobicContact CE2-CE2 3.71Å; F606-F932 HydrophobicContact CE2-CZ 4.36Å; F606-F932 HydrophobicContact CZ-CE2 4.42Å; K609-F932 HydrophobicContact CG-CB 4.22Å; K609-F932 HydrophobicContact CG-CD2 4.46Å; A610-F932 HydrophobicContact CB-CE2 3.88Å; F613-F932 HydrophobicContact CB-CD2 4.36Å; F613-F932 HydrophobicContact CB-CG 4.46Å; F613-F932 AromaticContact CD1-CD1 4Å; F613-F932 HydrophobicContact CD1-CD1 4Å; F613-F932 HydrophobicContact CD1-CD2 4.39Å; F613-F932 AromaticContact CD1-CE1 3.83Å; F613-F932 HydrophobicContact CD1-CE1 3.83Å; F613-F932 HydrophobicContact CD1-CE2 4.27Å; F613-F932 HydrophobicContact CD1-CG 4.26Å; F613-F932 AromaticContact CD1-CZ 3.99Å; F613-F932 HydrophobicContact CD1-CZ 3.99Å; F613-F932 HydrophobicContact CE1-CD1 4.23Å; F613-F932 AromaticContact CE1-CE1 3.93Å; F613-F932 HydrophobicContact CE1-CE1 3.93Å; F613-F932 HydrophobicContact CE1-CZ 4.4Å; F613-F932 HydrophobicContact CG-CD1 4.41Å; F613-F932 HydrophobicContact CG-CG 4.36Å; T928-F932 WeakPolarHBondContact O-CB 3.37Å; T928-F932 PolarHBondContact O-N 3.39Å; T928-F932 VanDerWaalsContact O-N 3.08Å; L929-F932 PolarHBondContact O-N 2.97Å; L930-F932 VanDerWaalsContact C-N 3.26Å; L930-F932 PolarHBondContact O-N 2.92Å; F932-I934 VanDerWaalsContact C-N 3.35Å; F932-I934 PolarHBondContact O-N 3.29Å; F932-L935 PolarHBondContact O-N 3.35Å; F932-F936 WeakPolarHBondContact O-CB 3.4Å; F932-F936 PolarHBondContact O-N 2.04Å; F932-Q957 HydrophobicContact CE1-CG 4.01Å; F932-Q957 VanDerWaalsContact CE1-NE2 3.35Å; F932-F961 HydrophobicContact CE1-CD2 4.13Å; F932-F961 AromaticContact CE1-CE2 3.79Å; F932-F961 HydrophobicContact CE1-CE2 3.79Å; F932-F961 AromaticContact CZ-CE2 3.95Å; F932-F961 HydrophobicContact CZ-CE2 3.95Å; F932-F961 HydrophobicContact CZ-CZ 4.45Å
933	D	97.7	Very high	95.9	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177.5	-64.8	-21.9	0	0	0	111.3	R673 W729 L929 L930 F936 F937 T954 Q957 Q958	R673-D933 IonicContact CZ-OD2 2.77Å; R673-D933 IonicContact NH1-OD2 3.4Å; R673-D933 PolarHBondContact NH1-OD2 3.39Å; R673-D933 IonicContact NH2-OD2 3.56Å; R673-D933 PolarHBondContact NH2-OD2 3.23Å; W729-D933 HydrophobicContact CH2-CB 4.34Å; W729-D933 HydrophobicContact CZ3-CB 4.13Å; L929-D933 PolarHBondContact O-N 3.45Å; L930-D933 PolarHBondContact O-N 3.4Å; D933-F936 PolarHBondContact O-N 2.91Å; D933-F937 WeakPolarHBondContact O-CB 3.34Å; D933-F937 PolarHBondContact O-N 3.07Å; D933-T954 HydrophobicContact CB-CG2 4.29Å; D933-Q957 PolarHBondContact OD1-NE2 2.92Å; D933-Q957 PolarHBondContact OD1-OE1 3.18Å; D933-Q958 PolarHBondContact OD2-NE2 3.19Å; D933-Q958 VanDerWaalsContact OD2-NE2 3.11Å
934	I	98.1	Very high	96	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-49.9	176.9	-65.6	171.4	0	0	0	111	F565 A726 W729 L730 L930 I931 F932 F936 F937 C938	F565-I934 HydrophobicContact CE2-CB 4.34Å; F565-I934 HydrophobicContact CE2-CG2 3.8Å; F565-I934 HydrophobicContact CZ-CD1 4.18Å; F565-I934 HydrophobicContact CZ-CG2 4.28Å; A726-I934 HydrophobicContact CB-CG2 4.19Å; W729-I934 HydrophobicContact CB-CD1 3.76Å; W729-I934 HydrophobicContact CB-CG1 3.59Å; W729-I934 HydrophobicContact CB-CG2 4.43Å; W729-I934 HydrophobicContact CD2-CG1 3.8Å; W729-I934 HydrophobicContact CE3-CG1 3.73Å; W729-I934 HydrophobicContact CG-CD1 4.47Å; W729-I934 HydrophobicContact CG-CG1 3.75Å; L730-I934 HydrophobicContact CD2-CD1 3.82Å; L730-I934 HydrophobicContact CG-CD1 4.12Å; L930-I934 HydrophobicContact CD1-CD1 4.08Å; L930-I934 HydrophobicContact CD1-CG1 4.27Å; L930-I934 HydrophobicContact CD2-CD1 4.46Å; L930-I934 HydrophobicContact CG-CD1 3.84Å; L930-I934 HydrophobicContact CG-CG1 4.39Å; L930-I934 WeakPolarHBondContact O-CG1 3.49Å; L930-I934 PolarHBondContact O-N 2.82Å; I931-I934 PolarHBondContact O-N 3.06Å; F932-I934 VanDerWaalsContact C-N 3.35Å; F932-I934 PolarHBondContact O-N 3.29Å; I934-F936 VanDerWaalsContact C-N 3.34Å; I934-F937 PolarHBondContact O-N 3.5Å; I934-C938 WeakPolarHBondContact O-CB 3.03Å; I934-C938 PolarHBondContact O-N 2.82Å; I934-C938 PolarHBondContact O-SG 3.2Å
935	L	98.3	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-41	-179.1	-76.9	170.1	0	0	0	111.3	F565 I602 A605 F606 K609 I931 F932 C938 V939	F565-L935 HydrophobicContact CD2-CD1 4.34Å; F565-L935 HydrophobicContact CD2-CD2 3.84Å; F565-L935 HydrophobicContact CD2-CG 3.95Å; F565-L935 HydrophobicContact CE2-CG 4.45Å; I602-L935 HydrophobicContact CG2-CD2 4.34Å; A605-L935 HydrophobicContact CB-CD1 4.15Å; A605-L935 HydrophobicContact CB-CD2 3.88Å; F606-L935 HydrophobicContact CB-CB 4.15Å; F606-L935 HydrophobicContact CD2-CB 4.01Å; K609-L935 HydrophobicContact CB-CD1 3.82Å; K609-L935 HydrophobicContact CG-CD1 4.05Å; I931-L935 HydrophobicContact CG2-CD1 3.75Å; I931-L935 HydrophobicContact CG2-CG 4.31Å; I931-L935 WeakPolarHBondContact O-CB 3.25Å; I931-L935 WeakPolarHBondContact O-CG 3.22Å; I931-L935 PolarHBondContact O-N 2.72Å; F932-L935 PolarHBondContact O-N 3.35Å; L935-C938 PolarHBondContact O-N 2.72Å; L935-V939 WeakPolarHBondContact O-CB 3.48Å; L935-V939 VanDerWaalsContact O-CG2 3.31Å; L935-V939 WeakPolarHBondContact O-CG2 3.11Å; L935-V939 PolarHBondContact O-N 3.35Å
936	F	98.3	Very high	96.1	Very high	42 Å²	42	28.3 Å²	28.3	18%	0.184	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-49.2	176	-176.2	-100.4	0	0	0	111.5	F606 F932 D933 I934 C938 V939 V940 L953 T954 Q957	F606-F936 HydrophobicContact CD2-CB 4.42Å; F606-F936 HydrophobicContact CE2-CB 3.87Å; F606-F936 AromaticContact CE2-CD2 3.73Å; F606-F936 HydrophobicContact CE2-CD2 3.73Å; F606-F936 HydrophobicContact CE2-CG 4.3Å; F606-F936 AromaticContact CZ-CD2 3.68Å; F606-F936 HydrophobicContact CZ-CD2 3.68Å; F606-F936 HydrophobicContact CZ-CE2 4.43Å; F932-F936 WeakPolarHBondContact O-CB 3.4Å; F932-F936 PolarHBondContact O-N 2.04Å; D933-F936 PolarHBondContact O-N 2.91Å; I934-F936 VanDerWaalsContact C-N 3.34Å; F936-C938 VanDerWaalsContact C-N 3.32Å; F936-C938 PolarHBondContact O-N 3.23Å; F936-V939 PolarHBondContact O-N 2.8Å; F936-V940 HydrophobicContact CE1-CG2 4.11Å; F936-V940 HydrophobicContact CE2-CG2 4.3Å; F936-V940 HydrophobicContact CZ-CG2 4.02Å; F936-V940 WeakPolarHBondContact O-CG2 3.25Å; F936-V940 PolarHBondContact O-N 2.77Å; F936-V940 VanDerWaalsContact O-N 3.1Å; F936-L953 HydrophobicContact CE1-CB 3.96Å; F936-L953 WeakPolarHBondContact CE1-O 3.42Å; F936-L953 HydrophobicContact CZ-CB 4.29Å; F936-T954 HydrophobicContact CD1-CG2 4.39Å; F936-Q957 HydrophobicContact CD1-CB 4.15Å; F936-Q957 HydrophobicContact CD1-CG 4.22Å; F936-Q957 HydrophobicContact CE1-CB 3.85Å; F936-Q957 HydrophobicContact CE1-CG 4.31Å; F936-Q957 HydrophobicContact CG-CG 4.43Å; F936-Q957 HydrophobicContact CZ-CB 4.24Å
937	F	98.4	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-54.4	-49.5	174.7	179.2	-86.4	0	0	0	111.4	V684 L688 A725 W729 D933 I934 V940 D941 F947 A950 A951 T954	V684-F937 HydrophobicContact CG1-CZ 4.34Å; L688-F937 HydrophobicContact CD1-CE1 4.17Å; L688-F937 HydrophobicContact CD1-CZ 3.92Å; A725-F937 HydrophobicContact CB-CD1 4.43Å; A725-F937 HydrophobicContact CB-CE1 3.98Å; W729-F937 HydrophobicContact CZ2-CB 4.12Å; W729-F937 AromaticContact CZ2-CD2 3.95Å; W729-F937 HydrophobicContact CZ2-CD2 3.95Å; W729-F937 HydrophobicContact CZ2-CG 4.07Å; W729-F937 AromaticContact NE1-CD1 3.4Å; W729-F937 AromaticContact NE1-CD2 3.85Å; W729-F937 AromaticContact NE1-CE1 3.82Å; W729-F937 AromaticContact NE1-CG 3.43Å; D933-F937 WeakPolarHBondContact O-CB 3.34Å; D933-F937 PolarHBondContact O-N 3.07Å; I934-F937 PolarHBondContact O-N 3.5Å; F937-V940 PolarHBondContact O-N 3.15Å; F937-D941 WeakPolarHBondContact O-CB 3.37Å; F937-D941 PolarHBondContact O-N 3.39Å; F937-F947 AromaticContact CE1-CD1 3.96Å; F937-F947 HydrophobicContact CE1-CD1 3.96Å; F937-F947 HydrophobicContact CE1-CE1 4.47Å; F937-F947 HydrophobicContact CZ-CB 4.32Å; F937-F947 AromaticContact CZ-CD1 3.9Å; F937-F947 HydrophobicContact CZ-CD1 3.9Å; F937-A950 HydrophobicContact CD1-CB 4.5Å; F937-A950 HydrophobicContact CD2-CB 3.75Å; F937-A950 HydrophobicContact CE1-CB 4.43Å; F937-A950 HydrophobicContact CE2-CB 3.68Å; F937-A950 HydrophobicContact CG-CB 4.17Å; F937-A950 HydrophobicContact CZ-CB 4.04Å; F937-A950 WeakPolarHBondContact O-CB 3.14Å; F937-A951 HydrophobicContact CE2-CB 4.02Å; F937-T954 WeakPolarHBondContact CA-OG1 3.09Å; F937-T954 HydrophobicContact CB-CG2 4.41Å; F937-T954 WeakPolarHBondContact CB-OG1 3.19Å
938	C	97.7	Very high	96.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-40.3	-177.1	-70.1	0	0	0	0	113	Y722 I934 L935 F936 D941 L942	Y722-C938 HydrophobicContact CD2-CB 3.65Å; Y722-C938 HydrophobicContact CE2-CB 3.68Å; I934-C938 WeakPolarHBondContact O-CB 3.03Å; I934-C938 PolarHBondContact O-N 2.82Å; I934-C938 PolarHBondContact O-SG 3.2Å; L935-C938 PolarHBondContact O-N 2.72Å; F936-C938 VanDerWaalsContact C-N 3.32Å; F936-C938 PolarHBondContact O-N 3.23Å; C938-D941 PolarHBondContact O-N 3Å; C938-L942 WeakPolarHBondContact O-CB 3.39Å; C938-L942 WeakPolarHBondContact O-CG 3.37Å; C938-L942 PolarHBondContact O-N 2.83Å
939	V	97.5	Very high	96.5	Very high	46 Å²	46	30.3 Å²	30.3	28%	0.279	18%	0.181	S	C	.	.	H	α-helix	trans	-66.1	-41.6	178.3	167.2	0	0	0	0	110.9	I602 F606 L935 F936 L942 G943	I602-V939 HydrophobicContact CG2-CG2 4Å; F606-V939 HydrophobicContact CB-CG2 3.76Å; F606-V939 HydrophobicContact CD1-CG2 4.34Å; F606-V939 HydrophobicContact CG-CG2 4.05Å; L935-V939 WeakPolarHBondContact O-CB 3.48Å; L935-V939 VanDerWaalsContact O-CG2 3.31Å; L935-V939 WeakPolarHBondContact O-CG2 3.11Å; L935-V939 PolarHBondContact O-N 3.35Å; F936-V939 PolarHBondContact O-N 2.8Å; V939-L942 PolarHBondContact O-N 2.9Å; V939-G943 PolarHBondContact O-N 3.19Å; V939-G943 VanDerWaalsContact O-N 3.1Å
940	V	97.6	Very high	96.6	Very high	26 Å²	26	29.9 Å²	29.9	16%	0.158	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-44.1	175	174.4	0	0	0	0	110.8	F936 F937 G943 S944 L949 A950 L953	F936-V940 HydrophobicContact CE1-CG2 4.11Å; F936-V940 HydrophobicContact CE2-CG2 4.3Å; F936-V940 HydrophobicContact CZ-CG2 4.02Å; F936-V940 WeakPolarHBondContact O-CG2 3.25Å; F936-V940 PolarHBondContact O-N 2.77Å; F936-V940 VanDerWaalsContact O-N 3.1Å; F937-V940 PolarHBondContact O-N 3.15Å; V940-G943 PolarHBondContact O-N 3.19Å; V940-S944 WeakPolarHBondContact O-CB 3.42Å; V940-S944 PolarHBondContact O-N 3.1Å; V940-S944 PolarHBondContact O-OG 3.03Å; V940-L949 HydrophobicContact CG1-CG 4.47Å; V940-A950 HydrophobicContact CB-CB 4.15Å; V940-A950 HydrophobicContact CG1-CB 3.95Å; V940-L953 HydrophobicContact CG1-CD1 3.86Å; V940-L953 HydrophobicContact CG2-CD1 4.33Å
941	D	96.6	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-42.7	178.1	178.3	60.5	0	0	0	112.3	R721 F937 C938 G943 S944 Q945 N946 F947 A950	R721-D941 VanDerWaalsContact CD-OD2 3.3Å; R721-D941 WeakPolarHBondContact CD-OD2 3Å; R721-D941 WeakPolarHBondContact CG-OD2 3.36Å; R721-D941 IonicContact CZ-OD1 3.6Å; R721-D941 VanDerWaalsContact CZ-OD1 3.27Å; R721-D941 IonicContact CZ-OD2 3.01Å; R721-D941 VanDerWaalsContact NE-CG 3.25Å; R721-D941 IonicContact NE-OD1 2.87Å; R721-D941 PolarHBondContact NE-OD1 3.5Å; R721-D941 IonicContact NE-OD2 3.46Å; R721-D941 PolarHBondContact NE-OD2 3.27Å; R721-D941 IonicContact NH2-OD1 3.29Å; R721-D941 PolarHBondContact NH2-OD1 2.85Å; F937-D941 WeakPolarHBondContact O-CB 3.37Å; F937-D941 PolarHBondContact O-N 3.39Å; C938-D941 PolarHBondContact O-N 3Å; D941-G943 VanDerWaalsContact C-N 3.28Å; D941-G943 PolarHBondContact O-N 2.92Å; D941-S944 PolarHBondContact O-N 2.74Å; D941-Q945 WeakPolarHBondContact O-CA 3.26Å; D941-Q945 PolarHBondContact O-N 3.36Å; D941-N946 PolarHBondContact OD1-N 2.86Å; D941-F947 HydrophobicContact CB-CD1 4.25Å; D941-F947 HydrophobicContact CB-CE1 4.48Å; D941-F947 WeakPolarHBondContact OD1-CD1 3.22Å; D941-F947 WeakPolarHBondContact OD1-CE1 3.37Å; D941-F947 WeakPolarHBondContact OD2-CE1 3.37Å; D941-A950 HydrophobicContact CB-CB 3.93Å
942	L	94.4	Very high	96.6	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-34.9	177.3	-72.8	171.4	0	0	0	112.5	I602 L718 Y722 C938 V939	I602-L942 HydrophobicContact CB-CD1 4.47Å; I602-L942 HydrophobicContact CD1-CD1 3.75Å; I602-L942 HydrophobicContact CG2-CD1 4.13Å; L718-L942 HydrophobicContact CB-CD2 3.84Å; L718-L942 HydrophobicContact CD2-CD2 4.01Å; L718-L942 HydrophobicContact CG-CD2 4.44Å; Y722-L942 HydrophobicContact CD2-CD1 4.35Å; C938-L942 WeakPolarHBondContact O-CB 3.39Å; C938-L942 WeakPolarHBondContact O-CG 3.37Å; C938-L942 PolarHBondContact O-N 2.83Å; V939-L942 PolarHBondContact O-N 2.9Å
943	G	92.8	Very high	96.6	Very high	72 Å²	72	33.9 Å²	33.9	74%	0.742	20%	0.203	S	C	*	.	H	α-helix	trans	-78.9	-32.5	177.7	0	0	0	0	0	114.6	V939 V940 D941	V939-G943 PolarHBondContact O-N 3.19Å; V939-G943 VanDerWaalsContact O-N 3.1Å; V940-G943 PolarHBondContact O-N 3.19Å; D941-G943 VanDerWaalsContact C-N 3.28Å; D941-G943 PolarHBondContact O-N 2.92Å
944	S	93.9	Very high	96.6	Very high	44 Å²	44	33.7 Å²	33.7	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-106.8	-14.8	-174.8	64.1	0	0	0	0	114.9	V940 D941 N946	V940-S944 WeakPolarHBondContact O-CB 3.42Å; V940-S944 PolarHBondContact O-N 3.1Å; V940-S944 PolarHBondContact O-OG 3.03Å; D941-S944 PolarHBondContact O-N 2.74Å; S944-N946 PolarHBondContact O-N 3.39Å; S944-N946 PolarHBondContact OG-N 3.04Å
945	Q	92.1	Very high	96.6	Very high	103 Å²	103	38.1 Å²	38.1	48%	0.481	22%	0.219	S	C	.	.			trans	49.1	36.3	-169.8	-57.2	-173.3	11.7	0	0	113.3	R721 D941	R721-Q945 PolarHBondContact NH2-O 3.37Å; D941-Q945 WeakPolarHBondContact O-CA 3.26Å; D941-Q945 PolarHBondContact O-N 3.36Å
946	N	94.9	Very high	96.5	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	24%	0.241	S	C	.	.			trans	-137.3	109.4	-176.7	-171.7	-40.8	0	0	0	111.7	D941 S944 V948 L949 A950	D941-N946 PolarHBondContact OD1-N 2.86Å; S944-N946 PolarHBondContact O-N 3.39Å; S944-N946 PolarHBondContact OG-N 3.04Å; N946-V948 VanDerWaalsContact C-N 3.33Å; N946-V948 PolarHBondContact O-N 3.49Å; N946-V948 WeakPolarHBondContact OD1-CA 3.48Å; N946-V948 WeakPolarHBondContact OD1-CB 3.48Å; N946-V948 PolarHBondContact OD1-N 3.48Å; N946-L949 HydrophobicContact CB-CB 4.06Å; N946-L949 PolarHBondContact O-N 3.39Å; N946-L949 PolarHBondContact OD1-N 3.08Å; N946-A950 PolarHBondContact O-N 2.84Å; N946-A950 VanDerWaalsContact O-N 3.1Å
947	F	95.6	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.9	-30.4	-178.9	-64.3	-58.6	0	0	0	112.9	L685 L688 E689 R721 A725 F937 D941 A950 A951	L685-F947 HydrophobicContact CD1-CB 4.26Å; L688-F947 HydrophobicContact CB-CD2 4.08Å; L688-F947 HydrophobicContact CB-CE2 4.44Å; L688-F947 HydrophobicContact CB-CG 4.28Å; L688-F947 HydrophobicContact CD1-CB 4.33Å; L688-F947 HydrophobicContact CD1-CD1 3.68Å; L688-F947 HydrophobicContact CD1-CD2 4.35Å; L688-F947 HydrophobicContact CD1-CE1 3.92Å; L688-F947 HydrophobicContact CD1-CG 3.89Å; L688-F947 HydrophobicContact CD1-CZ 4.35Å; L688-F947 HydrophobicContact CD2-CE1 4.33Å; L688-F947 HydrophobicContact CD2-CE2 4.16Å; L688-F947 HydrophobicContact CD2-CZ 4Å; E689-F947 HydrophobicContact CG-CB 4.16Å; E689-F947 WeakPolarHBondContact OE1-CB 3.31Å; E689-F947 WeakPolarHBondContact OE1-CD2 3.44Å; R721-F947 HydrophobicContact CG-CE1 3.89Å; R721-F947 HydrophobicContact CG-CE2 4.45Å; R721-F947 HydrophobicContact CG-CZ 3.48Å; R721-F947 VanDerWaalsContact CG-CZ 3.48Å; A725-F947 HydrophobicContact CB-CE1 4.24Å; F937-F947 AromaticContact CE1-CD1 3.96Å; F937-F947 HydrophobicContact CE1-CD1 3.96Å; F937-F947 HydrophobicContact CE1-CE1 4.47Å; F937-F947 HydrophobicContact CZ-CB 4.32Å; F937-F947 AromaticContact CZ-CD1 3.9Å; F937-F947 HydrophobicContact CZ-CD1 3.9Å; D941-F947 HydrophobicContact CB-CD1 4.25Å; D941-F947 HydrophobicContact CB-CE1 4.48Å; D941-F947 WeakPolarHBondContact OD1-CD1 3.22Å; D941-F947 WeakPolarHBondContact OD1-CE1 3.37Å; D941-F947 WeakPolarHBondContact OD2-CE1 3.37Å; F947-A950 PolarHBondContact O-N 3.17Å; F947-A951 WeakPolarHBondContact O-CB 3.17Å; F947-A951 PolarHBondContact O-N 3.07Å
948	V	96.9	Very high	96.3	Very high	69 Å²	69	41.8 Å²	41.8	42%	0.418	24%	0.239	S	C	.	.	H	α-helix	trans	-66	-47.8	177.5	-176.5	0	0	0	0	110.1	L685 E689 N946 A950 A951 V952	L685-V948 HydrophobicContact CD1-CG2 4.11Å; E689-V948 HydrophobicContact CG-CG2 4.08Å; N946-V948 VanDerWaalsContact C-N 3.33Å; N946-V948 PolarHBondContact O-N 3.49Å; N946-V948 WeakPolarHBondContact OD1-CA 3.48Å; N946-V948 WeakPolarHBondContact OD1-CB 3.48Å; N946-V948 PolarHBondContact OD1-N 3.48Å; V948-A950 VanDerWaalsContact C-N 3.34Å; V948-A950 PolarHBondContact O-N 3.12Å; V948-A951 PolarHBondContact O-N 3.48Å; V948-V952 WeakPolarHBondContact O-CG2 3.21Å; V948-V952 PolarHBondContact O-N 3.29Å
949	L	97.1	Very high	96.2	Very high	77 Å²	77	45.7 Å²	45.7	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-45.1	176.6	-178.4	63.2	0	0	0	110.9	V940 N946 A951 V952 L953	V940-L949 HydrophobicContact CG1-CG 4.47Å; N946-L949 HydrophobicContact CB-CB 4.06Å; N946-L949 PolarHBondContact O-N 3.39Å; N946-L949 PolarHBondContact OD1-N 3.08Å; L949-A951 VanDerWaalsContact C-N 3.34Å; L949-A951 PolarHBondContact O-N 2.84Å; L949-V952 PolarHBondContact O-N 3.15Å; L949-L953 HydrophobicContact CD1-CD1 4.21Å; L949-L953 HydrophobicContact CD1-CG 4.18Å; L949-L953 HydrophobicContact CG-CD1 4.25Å; L949-L953 WeakPolarHBondContact O-CG 3.26Å; L949-L953 PolarHBondContact O-N 2.93Å
950	A	97.4	Very high	96.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-44.1	175.3	0	0	0	0	0	112.5	F937 V940 D941 N946 F947 V948 T954	F937-A950 HydrophobicContact CD1-CB 4.5Å; F937-A950 HydrophobicContact CD2-CB 3.75Å; F937-A950 HydrophobicContact CE1-CB 4.43Å; F937-A950 HydrophobicContact CE2-CB 3.68Å; F937-A950 HydrophobicContact CG-CB 4.17Å; F937-A950 HydrophobicContact CZ-CB 4.04Å; F937-A950 WeakPolarHBondContact O-CB 3.14Å; V940-A950 HydrophobicContact CB-CB 4.15Å; V940-A950 HydrophobicContact CG1-CB 3.95Å; D941-A950 HydrophobicContact CB-CB 3.93Å; N946-A950 PolarHBondContact O-N 2.84Å; N946-A950 VanDerWaalsContact O-N 3.1Å; F947-A950 PolarHBondContact O-N 3.17Å; V948-A950 VanDerWaalsContact C-N 3.34Å; V948-A950 PolarHBondContact O-N 3.12Å; A950-T954 VanDerWaalsContact O-CB 3.29Å; A950-T954 WeakPolarHBondContact O-CB 3.42Å; A950-T954 PolarHBondContact O-N 2.72Å; A950-T954 PolarHBondContact O-OG1 3.02Å
951	A	97.4	Very high	96.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-46.5	178	0	0	0	0	0	112.4	T681 L685 F937 F947 V948 L949 T954 Y955	T681-A951 HydrophobicContact CG2-CB 3.88Å; T681-A951 WeakPolarHBondContact CG2-O 3.31Å; L685-A951 HydrophobicContact CB-CB 4.3Å; L685-A951 HydrophobicContact CD1-CB 4.08Å; L685-A951 HydrophobicContact CD2-CB 3.92Å; L685-A951 HydrophobicContact CG-CB 4.33Å; F937-A951 HydrophobicContact CE2-CB 4.02Å; F947-A951 WeakPolarHBondContact O-CB 3.17Å; F947-A951 PolarHBondContact O-N 3.07Å; V948-A951 PolarHBondContact O-N 3.48Å; L949-A951 VanDerWaalsContact C-N 3.34Å; L949-A951 PolarHBondContact O-N 2.84Å; A951-T954 PolarHBondContact O-N 3.46Å; A951-Y955 WeakPolarHBondContact O-CB 3.08Å; A951-Y955 PolarHBondContact O-N 3Å
952	V	97.7	Very high	96	Very high	75 Å²	75	55.3 Å²	55.3	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-48.4	179.3	171.4	0	0	0	0	110.7	V948 L949 T954 Y955 L956	V948-V952 WeakPolarHBondContact O-CG2 3.21Å; V948-V952 PolarHBondContact O-N 3.29Å; L949-V952 PolarHBondContact O-N 3.15Å; V952-T954 VanDerWaalsContact C-N 3.34Å; V952-T954 PolarHBondContact O-N 3.07Å; V952-Y955 PolarHBondContact O-N 3.12Å; V952-L956 HydrophobicContact CG1-CD1 4.26Å; V952-L956 WeakPolarHBondContact O-CG 3.23Å; V952-L956 PolarHBondContact O-N 2.91Å
953	L	97.9	Very high	96	Very high	64 Å²	64	61.1 Å²	61.1	34%	0.335	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-39.2	179.1	-68	-173.5	0	0	0	111.6	F936 V940 L949 Y955 L956 Q957	F936-L953 HydrophobicContact CE1-CB 3.96Å; F936-L953 WeakPolarHBondContact CE1-O 3.42Å; F936-L953 HydrophobicContact CZ-CB 4.29Å; V940-L953 HydrophobicContact CG1-CD1 3.86Å; V940-L953 HydrophobicContact CG2-CD1 4.33Å; L949-L953 HydrophobicContact CD1-CD1 4.21Å; L949-L953 HydrophobicContact CD1-CG 4.18Å; L949-L953 HydrophobicContact CG-CD1 4.25Å; L949-L953 WeakPolarHBondContact O-CG 3.26Å; L949-L953 PolarHBondContact O-N 2.93Å; L953-Y955 VanDerWaalsContact C-N 3.35Å; L953-L956 HydrophobicContact CD2-CD1 4.28Å; L953-L956 PolarHBondContact O-N 2.94Å; L953-Q957 WeakPolarHBondContact O-CB 3.42Å; L953-Q957 PolarHBondContact O-N 2.87Å
954	T	97.8	Very high	96.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-41.5	177.3	-55.3	0	0	0	0	111.1	W729 D933 F936 F937 A950 A951 V952 Q957 Q958	W729-T954 HydrophobicContact CH2-CG2 4.07Å; W729-T954 HydrophobicContact CZ2-CG2 4.25Å; D933-T954 HydrophobicContact CB-CG2 4.29Å; F936-T954 HydrophobicContact CD1-CG2 4.39Å; F937-T954 WeakPolarHBondContact CA-OG1 3.09Å; F937-T954 HydrophobicContact CB-CG2 4.41Å; F937-T954 WeakPolarHBondContact CB-OG1 3.19Å; A950-T954 VanDerWaalsContact O-CB 3.29Å; A950-T954 WeakPolarHBondContact O-CB 3.42Å; A950-T954 PolarHBondContact O-N 2.72Å; A950-T954 PolarHBondContact O-OG1 3.02Å; A951-T954 PolarHBondContact O-N 3.46Å; V952-T954 VanDerWaalsContact C-N 3.34Å; V952-T954 PolarHBondContact O-N 3.07Å; T954-Q957 WeakPolarHBondContact O-CB 3.42Å; T954-Q957 PolarHBondContact O-N 2.94Å; T954-Q958 VanDerWaalsContact O-CG 3.31Å; T954-Q958 WeakPolarHBondContact O-CG 3.15Å; T954-Q958 PolarHBondContact O-N 3.14Å
955	Y	97.4	Very high	96.2	Very high	92 Å²	92	58.4 Å²	58.4	36%	0.361	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-44.8	174.2	174	-110.6	0	0	0	112.3	T678 A951 V952 L953 Q957 Q958 M959	T678-Y955 HydrophobicContact CG2-CD2 4.17Å; T678-Y955 HydrophobicContact CG2-CE2 3.62Å; A951-Y955 WeakPolarHBondContact O-CB 3.08Å; A951-Y955 PolarHBondContact O-N 3Å; V952-Y955 PolarHBondContact O-N 3.12Å; L953-Y955 VanDerWaalsContact C-N 3.35Å; Y955-Q957 PolarHBondContact O-N 2.96Å; Y955-Q958 PolarHBondContact O-N 3.33Å; Y955-M959 HydrophobicContact CD2-CG 4.35Å; Y955-M959 HydrophobicContact CE1-CG 4.17Å; Y955-M959 HydrophobicContact CE2-CG 3.81Å; Y955-M959 HydrophobicContact CE2-SD 4.19Å; Y955-M959 WeakPolarHBondContact O-CG 3.4Å; Y955-M959 PolarHBondContact O-N 2.95Å
956	L	97.4	Very high	96.2	Very high	85 Å²	85	56.1 Å²	56.1	45%	0.445	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-44	175.5	-70.7	174.6	0	0	0	111.5	V952 L953 Q958 M959 I960	V952-L956 HydrophobicContact CG1-CD1 4.26Å; V952-L956 WeakPolarHBondContact O-CG 3.23Å; V952-L956 PolarHBondContact O-N 2.91Å; L953-L956 HydrophobicContact CD2-CD1 4.28Å; L953-L956 PolarHBondContact O-N 2.94Å; L956-Q958 PolarHBondContact O-N 2.84Å; L956-M959 PolarHBondContact O-N 3.16Å; L956-I960 VanDerWaalsContact O-CG1 3.26Å; L956-I960 WeakPolarHBondContact O-CG1 3.31Å; L956-I960 PolarHBondContact O-N 2.7Å
957	Q	96.8	Very high	96.1	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-57.5	-46.9	175.1	168.6	-100.6	-66.1	0	0	111.6	F932 D933 F936 L953 T954 Y955 M959 I960 F961	F932-Q957 HydrophobicContact CE1-CG 4.01Å; F932-Q957 VanDerWaalsContact CE1-NE2 3.35Å; D933-Q957 PolarHBondContact OD1-NE2 2.92Å; D933-Q957 PolarHBondContact OD1-OE1 3.18Å; F936-Q957 HydrophobicContact CD1-CB 4.15Å; F936-Q957 HydrophobicContact CD1-CG 4.22Å; F936-Q957 HydrophobicContact CE1-CB 3.85Å; F936-Q957 HydrophobicContact CE1-CG 4.31Å; F936-Q957 HydrophobicContact CG-CG 4.43Å; F936-Q957 HydrophobicContact CZ-CB 4.24Å; L953-Q957 WeakPolarHBondContact O-CB 3.42Å; L953-Q957 PolarHBondContact O-N 2.87Å; T954-Q957 WeakPolarHBondContact O-CB 3.42Å; T954-Q957 PolarHBondContact O-N 2.94Å; Y955-Q957 PolarHBondContact O-N 2.96Å; Q957-M959 VanDerWaalsContact C-N 3.34Å; Q957-M959 PolarHBondContact O-N 2.89Å; Q957-I960 PolarHBondContact O-N 2.75Å; Q957-F961 HydrophobicContact CG-CD2 3.84Å; Q957-F961 HydrophobicContact CG-CE2 3.82Å; Q957-F961 VanDerWaalsContact O-CD2 3.25Å; Q957-F961 WeakPolarHBondContact O-CD2 3.33Å; Q957-F961 PolarHBondContact O-N 3.25Å
958	Q	95.7	Very high	96.1	Very high	18 Å²	18	59.5 Å²	59.5	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-43.5	176.2	-72	171	-4.9	0	0	111.9	D933 T954 Y955 L956 R962	D933-Q958 PolarHBondContact OD2-NE2 3.19Å; D933-Q958 VanDerWaalsContact OD2-NE2 3.11Å; T954-Q958 VanDerWaalsContact O-CG 3.31Å; T954-Q958 WeakPolarHBondContact O-CG 3.15Å; T954-Q958 PolarHBondContact O-N 3.14Å; Y955-Q958 PolarHBondContact O-N 3.33Å; L956-Q958 PolarHBondContact O-N 2.84Å; Q958-R962 VanDerWaalsContact O-CB 3.29Å; Q958-R962 WeakPolarHBondContact O-CB 3.4Å; Q958-R962 PolarHBondContact O-N 3.19Å
959	M	95.8	Very high	95.9	Very high	84 Å²	84	56.2 Å²	56.2	41%	0.414	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-44.2	178.4	-74.1	-62.2	-67.6	0	0	112.3	Y955 L956 Q957 R962 F963	Y955-M959 HydrophobicContact CD2-CG 4.35Å; Y955-M959 HydrophobicContact CE1-CG 4.17Å; Y955-M959 HydrophobicContact CE2-CG 3.81Å; Y955-M959 HydrophobicContact CE2-SD 4.19Å; Y955-M959 WeakPolarHBondContact O-CG 3.4Å; Y955-M959 PolarHBondContact O-N 2.95Å; L956-M959 PolarHBondContact O-N 3.16Å; Q957-M959 VanDerWaalsContact C-N 3.34Å; Q957-M959 PolarHBondContact O-N 2.89Å; M959-R962 PolarHBondContact O-N 2.99Å; M959-F963 WeakPolarHBondContact O-CB 3.09Å; M959-F963 PolarHBondContact O-N 2.75Å
960	I	96.2	Very high	95.6	Very high	96 Å²	96	55.9 Å²	55.9	49%	0.492	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-50.2	178.1	-70.3	165.1	0	0	0	110.4	L956 Q957 R962 F963 I964	L956-I960 VanDerWaalsContact O-CG1 3.26Å; L956-I960 WeakPolarHBondContact O-CG1 3.31Å; L956-I960 PolarHBondContact O-N 2.7Å; Q957-I960 PolarHBondContact O-N 2.75Å; I960-R962 VanDerWaalsContact C-N 3.34Å; I960-R962 PolarHBondContact O-N 2.77Å; I960-F963 WeakPolarHBondContact O-CB 3.36Å; I960-F963 PolarHBondContact O-N 3.39Å; I960-I964 HydrophobicContact CG2-CD1 3.7Å; I960-I964 HydrophobicContact CG2-CG1 4.4Å; I960-I964 VanDerWaalsContact O-CG1 3.31Å; I960-I964 WeakPolarHBondContact O-CG1 3.48Å; I960-I964 PolarHBondContact O-N 2.89Å
961	F	95.4	Very high	95.4	Very high	40 Å²	40	63.3 Å²	63.3	18%	0.175	30%	0.296	C	S	.	.	H	α-helix	trans	-69.3	-32.1	-178.9	-76.8	-64.6	0	0	0	113.2	F613 L614 L617 F932 Q957 I964 R965	F613-F961 HydrophobicContact CD1-CE1 4.44Å; F613-F961 HydrophobicContact CD1-CZ 4.43Å; F613-F961 HydrophobicContact CE1-CB 4.32Å; F613-F961 AromaticContact CE1-CD1 3.52Å; F613-F961 HydrophobicContact CE1-CD1 3.52Å; F613-F961 AromaticContact CE1-CD2 3.81Å; F613-F961 HydrophobicContact CE1-CD2 3.81Å; F613-F961 AromaticContact CE1-CE1 3.64Å; F613-F961 HydrophobicContact CE1-CE1 3.64Å; F613-F961 AromaticContact CE1-CE2 3.92Å; F613-F961 HydrophobicContact CE1-CE2 3.92Å; F613-F961 AromaticContact CE1-CG 3.61Å; F613-F961 HydrophobicContact CE1-CG 3.61Å; F613-F961 AromaticContact CE1-CZ 3.84Å; F613-F961 HydrophobicContact CE1-CZ 3.84Å; F613-F961 HydrophobicContact CZ-CB 4.09Å; F613-F961 AromaticContact CZ-CD1 3.92Å; F613-F961 HydrophobicContact CZ-CD1 3.92Å; F613-F961 HydrophobicContact CZ-CD2 4.38Å; F613-F961 HydrophobicContact CZ-CE1 4.46Å; F613-F961 AromaticContact CZ-CG 3.88Å; F613-F961 HydrophobicContact CZ-CG 3.88Å; L614-F961 HydrophobicContact CD2-CE1 4.04Å; L614-F961 HydrophobicContact CD2-CZ 4.48Å; L617-F961 HydrophobicContact CD2-CD1 4.02Å; L617-F961 HydrophobicContact CD2-CE1 4.39Å; F932-F961 HydrophobicContact CE1-CD2 4.13Å; F932-F961 AromaticContact CE1-CE2 3.79Å; F932-F961 HydrophobicContact CE1-CE2 3.79Å; F932-F961 AromaticContact CZ-CE2 3.95Å; F932-F961 HydrophobicContact CZ-CE2 3.95Å; F932-F961 HydrophobicContact CZ-CZ 4.45Å; Q957-F961 HydrophobicContact CG-CD2 3.84Å; Q957-F961 HydrophobicContact CG-CE2 3.82Å; Q957-F961 VanDerWaalsContact O-CD2 3.25Å; Q957-F961 WeakPolarHBondContact O-CD2 3.33Å; Q957-F961 PolarHBondContact O-N 3.25Å; F961-I964 HydrophobicContact CD1-CD1 4.24Å; F961-R965 WeakPolarHBondContact O-CB 3.46Å; F961-R965 PolarHBondContact O-N 2.81Å
962	R	94.9	Very high	95.1	Very high	138 Å²	138	64.6 Å²	64.6	52%	0.521	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-45.2	170	-176.3	178.2	-179.4	-170.5	-1.2	111.2	T671 Q958 M959 I960 R965 N966	T671-R962 HydrophobicContact CG2-CG 4.16Å; Q958-R962 VanDerWaalsContact O-CB 3.29Å; Q958-R962 WeakPolarHBondContact O-CB 3.4Å; Q958-R962 PolarHBondContact O-N 3.19Å; M959-R962 PolarHBondContact O-N 2.99Å; I960-R962 VanDerWaalsContact C-N 3.34Å; I960-R962 PolarHBondContact O-N 2.77Å; R962-R965 PolarHBondContact O-N 2.85Å; R962-N966 WeakPolarHBondContact O-CB 3.37Å; R962-N966 PolarHBondContact O-N 3.43Å
963	F	95.2	Very high	94.8	Very high	141 Å²	141	61 Å²	61	62%	0.618	28%	0.281	S	S	*	.	H	α-helix	trans	-62.5	-45.9	177.3	176.7	-98.2	0	0	0	112	M959 I960 N966 T967	M959-F963 WeakPolarHBondContact O-CB 3.09Å; M959-F963 PolarHBondContact O-N 2.75Å; I960-F963 WeakPolarHBondContact O-CB 3.36Å; I960-F963 PolarHBondContact O-N 3.39Å; F963-N966 PolarHBondContact O-N 2.91Å; F963-T967 WeakPolarHBondContact O-CB 3.47Å; F963-T967 PolarHBondContact O-N 2.81Å; F963-T967 PolarHBondContact O-OG1 3.03Å
964	I	95.4	Very high	94.4	Very high	56 Å²	56	58.5 Å²	58.5	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-49.7	176.6	-68.2	168.1	0	0	0	110.4	L617 I960 F961 N966 T967 L968	L617-I964 HydrophobicContact CD2-CG2 4.2Å; I960-I964 HydrophobicContact CG2-CD1 3.7Å; I960-I964 HydrophobicContact CG2-CG1 4.4Å; I960-I964 VanDerWaalsContact O-CG1 3.31Å; I960-I964 WeakPolarHBondContact O-CG1 3.48Å; I960-I964 PolarHBondContact O-N 2.89Å; F961-I964 HydrophobicContact CD1-CD1 4.24Å; I964-N966 PolarHBondContact O-N 2.82Å; I964-T967 PolarHBondContact O-N 3.03Å; I964-L968 HydrophobicContact CG2-CD1 3.7Å; I964-L968 HydrophobicContact CG2-CG 4.3Å; I964-L968 WeakPolarHBondContact O-CB 3.07Å; I964-L968 WeakPolarHBondContact O-CG 3.07Å; I964-L968 PolarHBondContact O-N 2.85Å
965	R	94.4	Very high	93.8	Very high	3 Å²	3	62 Å²	62	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-43.5	-179.8	177.9	66.4	-175.3	88.5	-5.7	112.2	L617 Q620 T671 V920 F922 F961 R962 G969	L617-R965 HydrophobicContact CD1-CB 4Å; L617-R965 HydrophobicContact CD1-CG 4.34Å; Q620-R965 PolarHBondContact O-NH2 3.24Å; T671-R965 HydrophobicContact CG2-CB 4.16Å; T671-R965 HydrophobicContact CG2-CG 3.91Å; V920-R965 PolarHBondContact O-NH2 3.18Å; F922-R965 HydrophobicContact CD1-CG 4.25Å; F922-R965 HydrophobicContact CE1-CB 4.07Å; F922-R965 HydrophobicContact CE1-CG 3.63Å; F922-R965 HydrophobicContact CE2-CB 3.96Å; F922-R965 HydrophobicContact CE2-CG 3.96Å; F922-R965 HydrophobicContact CZ-CB 3.46Å; F922-R965 VanDerWaalsContact CZ-CB 3.46Å; F922-R965 HydrophobicContact CZ-CG 3.48Å; F922-R965 VanDerWaalsContact CZ-CG 3.48Å; F961-R965 WeakPolarHBondContact O-CB 3.46Å; F961-R965 PolarHBondContact O-N 2.81Å; R962-R965 PolarHBondContact O-N 2.85Å; R965-G969 VanDerWaalsContact NH1-CA 3.32Å; R965-G969 WeakPolarHBondContact O-CA 3.27Å; R965-G969 PolarHBondContact O-N 3.32Å
966	N	93.3	Very high	93.3	Very high	56 Å²	56	60.9 Å²	60.9	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-48.6	179.1	-169.6	16.6	0	0	0	110.8	T671 R962 F963 I964 G969 R970	T671-N966 HydrophobicContact CG2-CB 3.96Å; R962-N966 WeakPolarHBondContact O-CB 3.37Å; R962-N966 PolarHBondContact O-N 3.43Å; F963-N966 PolarHBondContact O-N 2.91Å; I964-N966 PolarHBondContact O-N 2.82Å; N966-G969 PolarHBondContact O-N 3.47Å; N966-R970 WeakPolarHBondContact O-CB 3.17Å; N966-R970 PolarHBondContact O-N 3.35Å
967	T	93.3	Very high	92.7	Very high	60 Å²	60	57 Å²	57	37%	0.368	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-50.1	-175.9	-55.8	0	0	0	0	112.1	F963 I964 R971	F963-T967 WeakPolarHBondContact O-CB 3.47Å; F963-T967 PolarHBondContact O-N 2.81Å; F963-T967 PolarHBondContact O-OG1 3.03Å; I964-T967 PolarHBondContact O-N 3.03Å; T967-R971 WeakPolarHBondContact O-CB 3.21Å; T967-R971 PolarHBondContact O-N 3.01Å; T967-R971 VanDerWaalsContact O-N 3.12Å
968	L	94.3	Very high	91.9	Very high	78 Å²	78	59.5 Å²	59.5	41%	0.408	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-38.6	179	-65.4	-179.1	0	0	0	111.4	V621 I964 R971 N972	V621-L968 HydrophobicContact CB-CB 4.09Å; V621-L968 HydrophobicContact CG1-CB 3.9Å; V621-L968 HydrophobicContact CG2-CD1 4.48Å; I964-L968 HydrophobicContact CG2-CD1 3.7Å; I964-L968 HydrophobicContact CG2-CG 4.3Å; I964-L968 WeakPolarHBondContact O-CB 3.07Å; I964-L968 WeakPolarHBondContact O-CG 3.07Å; I964-L968 PolarHBondContact O-N 2.85Å; L968-R971 PolarHBondContact O-N 3.18Å; L968-N972 WeakPolarHBondContact O-CB 3.16Å; L968-N972 PolarHBondContact O-N 3.43Å
969	G	92.4	Very high	91.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-45.1	177.3	0	0	0	0	0	113.9	Q670 R965 N966 R971 N972 L973	Q670-G969 VanDerWaalsContact OE1-C 3.3Å; R965-G969 VanDerWaalsContact NH1-CA 3.32Å; R965-G969 WeakPolarHBondContact O-CA 3.27Å; R965-G969 PolarHBondContact O-N 3.32Å; N966-G969 PolarHBondContact O-N 3.47Å; G969-R971 VanDerWaalsContact C-N 3.33Å; G969-R971 PolarHBondContact O-N 3.14Å; G969-N972 PolarHBondContact O-N 2.93Å; G969-L973 WeakPolarHBondContact O-CB 3.36Å; G969-L973 PolarHBondContact O-N 2.94Å
970	R	92.5	Very high	90.6	Very high	69 Å²	69	58.5 Å²	58.5	26%	0.26	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-43.2	173.1	-179.6	176.5	170.7	179.4	0	111.5	N667 N966 L973 A974 Q981 L984	N667-R970 WeakPolarHBondContact OD1-CB 3.45Å; N966-R970 WeakPolarHBondContact O-CB 3.17Å; N966-R970 PolarHBondContact O-N 3.35Å; R970-L973 PolarHBondContact O-N 3.01Å; R970-A974 WeakPolarHBondContact O-CB 3.36Å; R970-A974 PolarHBondContact O-N 3.21Å; R970-Q981 HydrophobicContact CG-CG 4.12Å; R970-Q981 PolarHBondContact NE-O 3.02Å; R970-Q981 PolarHBondContact NH2-O 3.47Å; R970-L984 HydrophobicContact CG-CB 3.91Å; R970-L984 HydrophobicContact CG-CD1 3.88Å; R970-L984 PolarHBondContact NE-O 2.89Å; R970-L984 PolarHBondContact NH1-O 3.47Å; R970-L984 PolarHBondContact NH2-O 3.07Å
971	R	91.7	Very high	89.9	Confident	156 Å²	156	58.1 Å²	58.1	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-64.2	-44	177	-174.9	176.8	179.1	176.3	-1.2	111.8	T967 L968 G969 N975	T967-R971 WeakPolarHBondContact O-CB 3.21Å; T967-R971 PolarHBondContact O-N 3.01Å; T967-R971 VanDerWaalsContact O-N 3.12Å; L968-R971 PolarHBondContact O-N 3.18Å; G969-R971 VanDerWaalsContact C-N 3.33Å; G969-R971 PolarHBondContact O-N 3.14Å; R971-N975 WeakPolarHBondContact O-CB 3.25Å; R971-N975 PolarHBondContact O-N 2.05Å; R971-N975 PolarHBondContact O-ND2 3.44Å
972	N	91.6	Very high	89.4	Confident	28 Å²	28	66.3 Å²	66.3	15%	0.15	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-45.1	176.7	-176.1	52.5	0	0	0	111.3	V621 V623 L968 G969 A974 N975 K976	V621-N972 WeakPolarHBondContact O-CB 3.05Å; V621-N972 PolarHBondContact O-ND2 3.2Å; V621-N972 VanDerWaalsContact O-ND2 3.16Å; V623-N972 PolarHBondContact O-ND2 3.21Å; L968-N972 WeakPolarHBondContact O-CB 3.16Å; L968-N972 PolarHBondContact O-N 3.43Å; G969-N972 PolarHBondContact O-N 2.93Å; N972-A974 PolarHBondContact O-N 3.42Å; N972-N975 PolarHBondContact O-N 2.86Å; N972-K976 WeakPolarHBondContact O-CB 3.18Å; N972-K976 VanDerWaalsContact O-CG 3.27Å; N972-K976 WeakPolarHBondContact O-CG 3.41Å; N972-K976 PolarHBondContact O-N 3.38Å; N972-K976 WeakPolarHBondContact OD1-CE 3.41Å; N972-K976 WeakPolarHBondContact OD1-CG 3.08Å
973	L	91.7	Very high	88.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-49.6	177.3	-177.4	62.4	0	0	0	111.9	I625 A663 N667 G969 R970 N975 K976 T977 L984	I625-L973 HydrophobicContact CD1-CD1 3.79Å; I625-L973 HydrophobicContact CG1-CD1 4.5Å; I625-L973 HydrophobicContact CG2-CD1 3.74Å; A663-L973 WeakPolarHBondContact O-CD2 3.1Å; N667-L973 HydrophobicContact CB-CD2 3.91Å; G969-L973 WeakPolarHBondContact O-CB 3.36Å; G969-L973 PolarHBondContact O-N 2.94Å; R970-L973 PolarHBondContact O-N 3.01Å; L973-N975 VanDerWaalsContact C-N 3.35Å; L973-N975 PolarHBondContact O-N 3.19Å; L973-K976 PolarHBondContact O-N 2.91Å; L973-T977 HydrophobicContact CD1-CG2 3.76Å; L973-T977 WeakPolarHBondContact O-CB 3.49Å; L973-T977 PolarHBondContact O-N 2.68Å; L973-T977 PolarHBondContact O-OG1 2.9Å; L973-L984 HydrophobicContact CB-CD1 4.28Å; L973-L984 HydrophobicContact CD2-CD1 4.01Å; L973-L984 HydrophobicContact CD2-CD2 3.87Å; L973-L984 HydrophobicContact CG-CD1 4.16Å
974	A	89.3	Confident	88.4	Confident	10 Å²	10	57 Å²	57	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-44.2	177.1	0	0	0	0	0	112.1	R970 N972 K976 L978 V979 Q981 L984	R970-A974 WeakPolarHBondContact O-CB 3.36Å; R970-A974 PolarHBondContact O-N 3.21Å; N972-A974 PolarHBondContact O-N 3.42Å; A974-K976 PolarHBondContact O-N 2.93Å; A974-L978 WeakPolarHBondContact O-CA 3.31Å; A974-L978 PolarHBondContact O-N 3.06Å; A974-L978 VanDerWaalsContact O-N 3.13Å; A974-V979 WeakPolarHBondContact CA-O 3.33Å; A974-V979 WeakPolarHBondContact CB-O 3.28Å; A974-Q981 HydrophobicContact CB-CB 4.06Å; A974-L984 HydrophobicContact CB-CD1 3.92Å
975	N	85.8	Confident	87.5	Confident	75 Å²	75	61.2 Å²	61.2	40%	0.401	29%	0.287	S	S	.	.	H	α-helix	trans	-66.7	-37.4	-179.6	-73.2	-21.6	0	0	0	113.1	R842 R971 N972 L973	R842-N975 PolarHBondContact NH1-OD1 2Å; R971-N975 WeakPolarHBondContact O-CB 3.25Å; R971-N975 PolarHBondContact O-N 2.05Å; R971-N975 PolarHBondContact O-ND2 3.44Å; N972-N975 PolarHBondContact O-N 2.86Å; L973-N975 VanDerWaalsContact C-N 3.35Å; L973-N975 PolarHBondContact O-N 3.19Å
976	K	86.3	Confident	87.2	Confident	68 Å²	68	64.2 Å²	64.2	30%	0.296	30%	0.3	S	S	.	.	H	α-helix	trans	-85.4	-31.9	-174.9	-63.2	-69.7	179	168.2	0	113.2	D624 I625 N972 L973 A974	D624-K976 VanDerWaalsContact OD1-CE 3.29Å; D624-K976 WeakPolarHBondContact OD1-CE 3.5Å; D624-K976 IonicContact OD1-NZ 3.84Å; D624-K976 PolarHBondContact OD1-NZ 2.85Å; I625-K976 HydrophobicContact CG2-CB 3.88Å; N972-K976 WeakPolarHBondContact O-CB 3.18Å; N972-K976 VanDerWaalsContact O-CG 3.27Å; N972-K976 WeakPolarHBondContact O-CG 3.41Å; N972-K976 PolarHBondContact O-N 3.38Å; N972-K976 WeakPolarHBondContact OD1-CE 3.41Å; N972-K976 WeakPolarHBondContact OD1-CG 3.08Å; L973-K976 PolarHBondContact O-N 2.91Å; A974-K976 PolarHBondContact O-N 2.93Å
977	T	84.7	Confident	86.9	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-97.2	-4.5	-178.6	61.9	0	0	0	0	114.2	I625 L627 L973 V979	I625-T977 HydrophobicContact CG1-CG2 4.3Å; I625-T977 HydrophobicContact CG2-CG2 3.92Å; L627-T977 HydrophobicContact CD1-CG2 4.01Å; L627-T977 HydrophobicContact CG-CG2 3.95Å; L973-T977 HydrophobicContact CD1-CG2 3.76Å; L973-T977 WeakPolarHBondContact O-CB 3.49Å; L973-T977 PolarHBondContact O-N 2.68Å; L973-T977 PolarHBondContact O-OG1 2.9Å; T977-V979 PolarHBondContact O-N 3.07Å; T977-V979 VanDerWaalsContact O-N 3.08Å; T977-V979 WeakPolarHBondContact OG1-CG2 3.3Å
978	L	79.6	Confident	86.5	Confident	67 Å²	67	64.8 Å²	64.8	35%	0.351	30%	0.297	S	S	.	.			trans	59.2	8.2	-171.3	-61.6	177	0	0	0	115.2	L839 Q860 Y864 A974 D980	L839-L978 HydrophobicContact CD2-CD1 3.45Å; L839-L978 VanDerWaalsContact CD2-CD1 3.45Å; L839-L978 HydrophobicContact CD2-CG 4.3Å; Q860-L978 HydrophobicContact CB-CD1 4.44Å; Y864-L978 HydrophobicContact CD2-CD1 4.06Å; Y864-L978 HydrophobicContact CG-CD1 4.39Å; A974-L978 WeakPolarHBondContact O-CA 3.31Å; A974-L978 PolarHBondContact O-N 3.06Å; A974-L978 VanDerWaalsContact O-N 3.13Å; L978-D980 PolarHBondContact O-N 3.31Å
979	V	83.7	Confident	86	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.036	29%	0.29	C	S	.	.			trans	-69.1	128.7	172.1	171.3	0	0	0	0	109.3	T659 Y660 A663 A974 T977 Q981 F983 L984	T659-V979 HydrophobicContact CG2-CG2 4.3Å; Y660-V979 HydrophobicContact CD1-CB 4.18Å; Y660-V979 HydrophobicContact CD1-CG1 3.48Å; Y660-V979 VanDerWaalsContact CD1-CG1 3.48Å; Y660-V979 HydrophobicContact CD1-CG2 3.83Å; Y660-V979 HydrophobicContact CE1-CB 4.1Å; Y660-V979 HydrophobicContact CE1-CG1 3.62Å; Y660-V979 HydrophobicContact CE1-CG2 3.96Å; A663-V979 HydrophobicContact CB-CG1 4.45Å; A663-V979 HydrophobicContact CB-CG2 4.14Å; A974-V979 WeakPolarHBondContact CA-O 3.33Å; A974-V979 WeakPolarHBondContact CB-O 3.28Å; T977-V979 PolarHBondContact O-N 3.07Å; T977-V979 VanDerWaalsContact O-N 3.08Å; T977-V979 WeakPolarHBondContact OG1-CG2 3.3Å; V979-Q981 PolarHBondContact O-N 2.97Å; V979-F983 HydrophobicContact CG1-CB 4.45Å; V979-L984 HydrophobicContact CG1-CD2 3.9Å; V979-L984 HydrophobicContact CG1-CG 4.15Å
980	D	81.1	Confident	85.7	Confident	76 Å²	76	68 Å²	68	41%	0.406	31%	0.308	S	S	.	.			trans	-61.8	130.3	175.9	-174	-34.9	0	0	0	109.8	L978 R982 F983	L978-D980 PolarHBondContact O-N 3.31Å; D980-R982 PolarHBondContact O-N 3.35Å; D980-R982 WeakPolarHBondContact OD1-CB 3.16Å; D980-R982 WeakPolarHBondContact OD1-CG 3.41Å; D980-R982 PolarHBondContact OD1-N 2.77Å; D980-F983 HydrophobicContact CB-CD2 3.95Å; D980-F983 HydrophobicContact CB-CE2 4.28Å; D980-F983 PolarHBondContact O-N 2.04Å
981	Q	82	Confident	85.2	Confident	87 Å²	87	67.9 Å²	67.9	41%	0.407	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-54.2	-26.8	-178	-171.7	174.2	-6.5	0	0	112.8	R970 A974 V979 F983 L984	R970-Q981 HydrophobicContact CG-CG 4.12Å; R970-Q981 PolarHBondContact NE-O 3.02Å; R970-Q981 PolarHBondContact NH2-O 3.47Å; A974-Q981 HydrophobicContact CB-CB 4.06Å; V979-Q981 PolarHBondContact O-N 2.97Å; Q981-F983 PolarHBondContact O-N 2.86Å; Q981-L984 PolarHBondContact O-N 2.91Å
982	R	84.3	Confident	84.7	Confident	212 Å²	212	61.6 Å²	61.6	80%	0.8	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.8	-25.9	177.5	-65.9	175.5	-175.9	-173.8	2.5	113.6	D980	D980-R982 PolarHBondContact O-N 3.35Å; D980-R982 WeakPolarHBondContact OD1-CB 3.16Å; D980-R982 WeakPolarHBondContact OD1-CG 3.41Å; D980-R982 PolarHBondContact OD1-N 2.77Å
983	F	83.8	Confident	84.2	Confident	83 Å²	83	64.2 Å²	64.2	36%	0.364	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-87.4	-11	177.7	-66.8	-75.1	0	0	0	113.8	W657 Y660 V979 D980 Q981	W657-F983 AromaticContact CH2-CE1 3.99Å; W657-F983 HydrophobicContact CH2-CE1 3.99Å; W657-F983 HydrophobicContact CZ3-CD1 4.26Å; W657-F983 HydrophobicContact CZ3-CE1 4.06Å; Y660-F983 HydrophobicContact CD1-CB 4.44Å; Y660-F983 HydrophobicContact CD2-CB 4.44Å; Y660-F983 HydrophobicContact CD2-CD1 4.14Å; Y660-F983 HydrophobicContact CD2-CD2 4.33Å; Y660-F983 HydrophobicContact CD2-CG 4.06Å; Y660-F983 HydrophobicContact CE1-CD2 4.27Å; Y660-F983 HydrophobicContact CE2-CD1 4.21Å; Y660-F983 AromaticContact CE2-CD2 3.81Å; Y660-F983 HydrophobicContact CE2-CD2 3.81Å; Y660-F983 HydrophobicContact CE2-CE1 4.27Å; Y660-F983 AromaticContact CE2-CE2 3.89Å; Y660-F983 HydrophobicContact CE2-CE2 3.89Å; Y660-F983 AromaticContact CE2-CG 3.99Å; Y660-F983 HydrophobicContact CE2-CG 3.99Å; Y660-F983 HydrophobicContact CE2-CZ 4.12Å; Y660-F983 HydrophobicContact CG-CB 4.3Å; Y660-F983 HydrophobicContact CG-CG 4.39Å; Y660-F983 AromaticContact CZ-CD2 3.76Å; Y660-F983 AromaticContact CZ-CE2 3.99Å; V979-F983 HydrophobicContact CG1-CB 4.45Å; D980-F983 HydrophobicContact CB-CD2 3.95Å; D980-F983 HydrophobicContact CB-CE2 4.28Å; D980-F983 PolarHBondContact O-N 2.04Å; Q981-F983 PolarHBondContact O-N 2.86Å
984	L	85.6	Confident	83.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.326	C	S	.	.			trans	-87	111.8	174.7	-57.7	176.8	0	0	0	108.4	A663 R970 L973 A974 V979 Q981	A663-L984 HydrophobicContact CB-CD2 3.84Å; R970-L984 HydrophobicContact CG-CB 3.91Å; R970-L984 HydrophobicContact CG-CD1 3.88Å; R970-L984 PolarHBondContact NE-O 2.89Å; R970-L984 PolarHBondContact NH1-O 3.47Å; R970-L984 PolarHBondContact NH2-O 3.07Å; L973-L984 HydrophobicContact CB-CD1 4.28Å; L973-L984 HydrophobicContact CD2-CD1 4.01Å; L973-L984 HydrophobicContact CD2-CD2 3.87Å; L973-L984 HydrophobicContact CG-CD1 4.16Å; A974-L984 HydrophobicContact CB-CD1 3.92Å; V979-L984 HydrophobicContact CG1-CD2 3.9Å; V979-L984 HydrophobicContact CG1-CG 4.15Å; Q981-L984 PolarHBondContact O-N 2.91Å
985	I	76.8	Confident	83.1	Confident	146 Å²	146	74.9 Å²	74.9	75%	0.749	35%	0.349	S	S	*	.			trans	-100.2	0	-175.4	-58.1	175.6	0	0	0	110	N664 N667	N664-I985 PolarHBondContact OD1-N 3.45Å; N664-I985 PolarHBondContact OD1-O 2.85Å; N667-I985 PolarHBondContact ND2-O 2.54Å

Retrieved 985 of 985 residues in 444.2 ms (Link to these results)

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