A0A3Q0KRN9_SCHMA Loading...

Diacylglycerol kinase

AlphaFold DB , UniProt , Accession A0A3Q0KRN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,310 aa.

						>A0A3Q0KRN9_SCHMA|A0A3Q0KRN9
MDSFTSETEADLVASSGSDSEEDVKQTSSYKSTSTLKGWFQGHSFVKKNLHKPATCHHCSDLLWGILGTTGMVCEVCNFLAHEKCMRSVVTACTCIAPFLTKDPVPHCWSEIGHFKRKFCNVCRKRVDDLLALKCEICEYYSHYECLDFVAADCKQCATSTLTSMAKSPTCIPDAVETRNSYMMSRLLKNFSKSYSSNDPNDVPLIDFTDNELTNKCINNINTTATSAVSSAILSTMFTTSNTNTSVPLISHSSTNTPKTSTQCTSEISELALLEAVKTLSSSSLSVSPQTTLGSSEEQVSCTTKSTTDTSVPPVKSSLISSHVQQSHHWREGNLPVNSKCASCRKTCWSAECLTGLRCEWCGVTAHYSCYRNIPLECDFGVLRNIMLPPYCVSVPRTSLLVEQIIGMCRPQPETLMGVQALTDEFSSNGDSPEESGIERKSNKDKTDRDFDDYVRVYDGWGRFRKKQCRYLSLGRSVSVLKVIELSLKAFQLPPDEARDYYLVEVNEKDGSEHRLHSSGCFKSQLQFETRRPQIIIRSRDRNQDREYIQTFPGTLDQFTDVELSPIQISVTRDTTVHDVILQAQKRFGLEHLDSGRFQLVETNLDRGLVERVMSSGERLWTILERVKRESVRALRLTRFYLQPIEESKGPVVTLFVGNLKKGLSQRLYERILLERLGIENKWDFIEVIYYDFGSLVLVYLNAERADEAYHLLKQSTFEDRPILVMILPRLKPSKLPDDIKPLLVLVNVKSGGCQGADLITSFRKLLNPHQVFNLDYGGPLPGLHCFRHLKQFKILVCGGDGTVGWALSCLDNVGQDAACPTPPMAILPLGTGNDLARVLRWGSGYTGGEEPLTILKILPHSTLFCLSIVVVVVIVVIVNRDVVEAENIRLDRWTVVIKPDQAEKDAQKKQLQIEANSSNTNEDSSRIFVMNNYFGLGIDADLNLDFHMAREENPAKFNSRIHNKSVYLKMGLRKMVNRTKCKDLHQNIIVEVDGRQLDLPPLEGVIILNILSWGAGANPWGVEKDDAFTTPTHFDGQLEIVGVTGVVHMGQIFSGLRTGIRLAQGGHIRITVKCDIPVQVDGEPWIQPPGQIIVLRSALKATMLKKRKRRKVNRRHTEPGLGGSSSSNTTSSNVIHGSTEDPLSSAVFGASGPPPPESVNSLDCGNTTTTTIKQLELDIAKVDLEERNLNDAFCSNDSVKTDDSYPRLYRPGRPVYAKRRGRRLPKPVLVAVPSAPSETCRSPREILENDEFDETSALCLSKSTRLKHVPTNMHSTPDQQSSIIQNIKSSTPTTSMSQLDSTTSKNEID
					

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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	28.8	Very low	26.6	Very low	242 Å²	242	144.7 Å²	144.7	100%	1.192	79%	0.793	S	S	*	*				0	103	0	-92.2	174.2	138	0	0	106.5
2	D	28.1	Very low	26.2	Very low	153 Å²	153	145.5 Å²	145.5	82%	0.818	79%	0.794	S	S	*	*			trans	23.5	144.6	158.8	-56	-26.1	0	0	0	123.9
3	S	31	Very low	26.1	Very low	107 Å²	107	145 Å²	145	75%	0.748	80%	0.798	S	S	*	*			trans	86	101.7	157.3	68.1	0	0	0	0	116.8
4	F	26.2	Very low	25.8	Very low	187 Å²	187	141.1 Å²	141.1	82%	0.82	79%	0.794	S	S	*	*				84.1	121.8	61.4	-96.2	-106.5	0	0	0	113.8
5	T	27.2	Very low	25.8	Very low	119 Å²	119	139.4 Å²	139.4	73%	0.73	80%	0.795	S	S	*	*			trans	63.1	149.1	140.6	53.5	0	0	0	0	117.7
6	S	26.8	Very low	25.5	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	80%	0.799	S	S	*	*			cis	-168.5	135.1	18.6	34.8	0	0	0	0	104.7
7	E	23.8	Very low	25.5	Very low	175 Å²	175	134.9 Å²	134.9	82%	0.818	80%	0.8	S	S	*	*				80.5	148.8	104.6	-64.2	-173.7	148.3	0	0	117.2
8	T	26.2	Very low	25.2	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.693	80%	0.795	S	S	*	*			trans	77.6	111.1	161.9	47.7	0	0	0	0	117.2
9	E	22.4	Very low	25.1	Very low	186 Å²	186	133.5 Å²	133.5	87%	0.869	79%	0.793	S	S	*	*				64.5	137.3	84.1	-76.2	-172.5	164.1	0	0	111
10	A	24.1	Very low	25.1	Very low	79 Å²	79	132.1 Å²	132.1	65%	0.653	79%	0.791	S	S	*	*			cis	-169.4	-171.6	-1.8	0	0	0	0	0	104.9
11	D	27.5	Very low	25	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	79%	0.794	S	S	*	*			trans	81.4	108.2	169.4	-57.9	-21.6	0	0	0	117.2
12	L	22.1	Very low	24.7	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	78%	0.777	S	S	*	*				82.7	136.7	64.1	-78.9	171.3	0	0	0	114.1
13	V	24.9	Very low	24.7	Very low	139 Å²	139	130.7 Å²	130.7	84%	0.842	77%	0.772	S	S	*	*			trans	100.6	118	158.6	-164	0	0	0	0	117
14	A	21.6	Very low	24.3	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	78%	0.779	S	S	*	*			trans	-69.3	150.2	172.9	0	0	0	0	0	113.1
15	S	26.4	Very low	24.2	Very low	115 Å²	115	132 Å²	132	80%	0.804	78%	0.776	S	S	*	*			trans	-158.1	124.8	143.8	55.9	0	0	0	0	110.7
16	S	20.9	Very low	24	Very low	122 Å²	122	134.9 Å²	134.9	85%	0.853	78%	0.781	S	S	*	*			trans	-47.1	139.1	161.1	47.1	0	0	0	0	113.9
17	G	26.3	Very low	23.9	Very low	80 Å²	80	137.8 Å²	137.8	83%	0.825	80%	0.796	S	S	*	*			trans	-163	118.2	166	0	0	0	0	0	109.7
18	S	19.8	Very low	24	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	79%	0.792	S	S	*	*			trans	-79.3	165.2	176.8	51	0	0	0	0	112.3
19	D	23.6	Very low	23.8	Very low	143 Å²	143	134 Å²	134	77%	0.765	79%	0.793	S	S	*	*			trans	101.5	127.1	150.9	-56.2	-43.9	0	0	0	120.6
20	S	24.8	Very low	23.9	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	80%	0.795	S	S	*	*			trans	74.2	101.7	152.5	48	0	0	0	0	120.3
21	E	21.6	Very low	23.8	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	80%	0.803	S	S	*	*				15.8	114.2	122.7	-61.1	-179.9	154.1	0	0	117.7
22	E	24.2	Very low	23.7	Very low	179 Å²	179	139.5 Å²	139.5	84%	0.836	80%	0.801	S	S	*	*				171.4	152.5	107.3	-92.7	-171.8	159.4	0	0	111.1
23	D	26.7	Very low	23.8	Very low	135 Å²	135	138.4 Å²	138.4	72%	0.722	80%	0.801	S	S	*	*			trans	79.7	79	163.4	-71.8	-11.6	0	0	0	121.1	K25	D23-K25 PolarHBondContact O-N 3.48Å
24	V	23.5	Very low	23.8	Very low	148 Å²	148	136.9 Å²	136.9	90%	0.897	80%	0.796	S	S	*	*			trans	-51	104.1	142.8	177.7	0	0	0	0	111.3
25	K	24	Very low	24.3	Very low	174 Å²	174	137.1 Å²	137.1	76%	0.757	79%	0.789	S	S	*	*			trans	-136.6	114.1	154.3	-88.8	-179.2	-176.8	161.2	0	112.1	D23	D23-K25 PolarHBondContact O-N 3.48Å
26	Q	22.5	Very low	24.7	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	77%	0.774	S	S	*	*			trans	56.6	94.4	144.9	-66.8	177.7	-16.5	0	0	118.3
27	T	25.6	Very low	25.5	Very low	150 Å²	150	136.1 Å²	136.1	92%	0.92	76%	0.758	S	S	*	*			trans	-129.4	139	135.8	51.9	0	0	0	0	111.5
28	S	24.5	Very low	26.8	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	73%	0.725	S	S	*	*			trans	-75.5	129.1	-160.9	52.9	0	0	0	0	114.7	Y30	S28-Y30 PolarHBondContact O-N 2.84Å
29	S	23.1	Very low	28.6	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	71%	0.705	S	S	*	*				37.3	74.1	129.9	-134.3	0	0	0	0	117.8	K31	S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 3.49Å; S29-K31 VanDerWaalsContact O-N 3.17Å
30	Y	23.7	Very low	31.1	Very low	233 Å²	233	127.8 Å²	127.8	91%	0.914	68%	0.682	S	S	*	*			trans	-73.1	96.6	145.4	-84.5	-86.4	0	0	0	107.6	S28 S32	S28-Y30 PolarHBondContact O-N 2.84Å; Y30-S32 PolarHBondContact O-N 3.25Å
31	K	22.5	Very low	33.9	Very low	185 Å²	185	123.4 Å²	123.4	80%	0.804	65%	0.649	S	S	*	*			trans	-63	83	163.5	-77.1	-180	177.8	174.8	0	108.4	S29 T33	S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 3.49Å; S29-K31 VanDerWaalsContact O-N 3.17Å; K31-T33 PolarHBondContact O-N 2.78Å
32	S	24.4	Very low	37.1	Very low	105 Å²	105	114.8 Å²	114.8	73%	0.734	61%	0.61	S	S	*	*			trans	-55.2	105.3	157.8	156.7	0	0	0	0	106.6	Y30 S34	Y30-S32 PolarHBondContact O-N 3.25Å; S32-S34 VanDerWaalsContact C-N 3.28Å; S32-S34 PolarHBondContact O-N 3.08Å
33	T	24.2	Very low	40.3	Very low	130 Å²	130	106.2 Å²	106.2	80%	0.798	57%	0.57	S	S	*	*			trans	-58.4	96.1	167.7	24.1	0	0	0	0	107.2	K31 T35	K31-T33 PolarHBondContact O-N 2.78Å; T33-T35 VanDerWaalsContact C-N 3.34Å; T33-T35 PolarHBondContact O-N 3.34Å
34	S	26.3	Very low	43.3	Very low	107 Å²	107	100.2 Å²	100.2	75%	0.748	54%	0.539	S	S	*	.			trans	-59.5	101.3	171.6	51	0	0	0	0	107.2	S32 L36	S32-S34 VanDerWaalsContact C-N 3.28Å; S32-S34 PolarHBondContact O-N 3.08Å; S34-L36 PolarHBondContact O-N 3.39Å
35	T	31	Very low	46.6	Very low	96 Å²	96	93.2 Å²	93.2	59%	0.589	50%	0.496	S	S	*	.			trans	-61.6	114	174.1	4.8	0	0	0	0	106.2	T33 K37	T33-T35 VanDerWaalsContact C-N 3.34Å; T33-T35 PolarHBondContact O-N 3.34Å; T35-K37 PolarHBondContact O-N 3.16Å
36	L	34.8	Very low	49.7	Very low	97 Å²	97	86 Å²	86	51%	0.508	47%	0.467	S	S	.	.			trans	-64.1	79.1	179.3	-164.6	83.5	0	0	0	109.6	S34 G38 M86	S34-L36 PolarHBondContact O-N 3.39Å; L36-G38 PolarHBondContact O-N 2.93Å; L36-M86 HydrophobicContact CD2-CE 4.03Å
37	K	39.1	Very low	52.9	Low	119 Å²	119	82.1 Å²	82.1	52%	0.517	45%	0.447	S	S	.	.			trans	-77.3	109.7	170.4	-79.5	-175	176.5	-179.3	0	107.8	T35	T35-K37 PolarHBondContact O-N 3.16Å
38	G	53.1	Low	55.8	Low	12 Å²	12	80 Å²	80	12%	0.124	43%	0.425	C	S	.	.			trans	-114.6	134.1	173.7	0	0	0	0	0	111	L36	L36-G38 PolarHBondContact O-N 2.93Å
39	W	57.4	Low	58.7	Low	75 Å²	75	80.5 Å²	80.5	28%	0.284	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.4	175.5	-100.8	57.6	0	0	0	109.6	T178 P494 P495 D496	W39-T178 HydrophobicContact CE3-CG2 4.34Å; W39-T178 HydrophobicContact CZ3-CG2 4.25Å; W39-P494 HydrophobicContact CH2-CB 3.88Å; W39-P495 HydrophobicContact CZ2-CG 4.3Å; W39-D496 HydrophobicContact CD2-CB 4.5Å; W39-D496 HydrophobicContact CH2-CB 4.08Å; W39-D496 WeakPolarHBondContact CH2-OD1 3.47Å; W39-D496 HydrophobicContact CZ2-CB 3.47Å; W39-D496 VanDerWaalsContact CZ2-CB 3.47Å; W39-D496 WeakPolarHBondContact CZ2-OD1 3.35Å
40	F	75.5	Confident	61.5	Low	61 Å²	61	77.2 Å²	77.2	27%	0.268	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.2	177.3	-60	-81.4	0	0	0	108.2	G42 H43 M86 R87	F40-G42 PolarHBondContact O-N 3.21Å; F40-G42 VanDerWaalsContact O-N 3.12Å; F40-H43 WeakPolarHBondContact O-CB 3.49Å; F40-H43 PolarHBondContact O-CD2 3.16Å; F40-H43 VanDerWaalsContact O-CD2 3.31Å; F40-H43 PolarHBondContact O-N 3.25Å; F40-M86 HydrophobicContact CD2-CE 4.41Å; F40-M86 HydrophobicContact CD2-CG 3.6Å; F40-M86 HydrophobicContact CD2-SD 4.16Å; F40-M86 HydrophobicContact CE2-CE 3.74Å; F40-M86 HydrophobicContact CE2-CG 3.88Å; F40-M86 HydrophobicContact CE2-SD 4.05Å; F40-R87 HydrophobicContact CE1-CB 4.21Å; F40-R87 HydrophobicContact CE1-CG 3.93Å; F40-R87 HydrophobicContact CE2-CG 4.18Å; F40-R87 HydrophobicContact CZ-CB 4.39Å; F40-R87 HydrophobicContact CZ-CG 3.65Å
41	Q	84.6	Confident	64.1	Low	14 Å²	14	74.8 Å²	74.8	7%	0.065	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.5	-179.4	-61.1	-72.3	4.5	0	0	113.2	H43 V89 V90 T91 C93 I96 P173 A175	Q41-H43 VanDerWaalsContact C-N 3.28Å; Q41-H43 PolarHBondContact O-N 3.41Å; Q41-V89 VanDerWaalsContact CG-O 3.25Å; Q41-V89 WeakPolarHBondContact CG-O 3.41Å; Q41-V90 VanDerWaalsContact CG-O 3.22Å; Q41-V90 WeakPolarHBondContact CG-O 3.24Å; Q41-V90 PolarHBondContact NE2-O 3.21Å; Q41-T91 WeakPolarHBondContact CB-O 3.45Å; Q41-C93 PolarHBondContact O-N 3.04Å; Q41-I96 VanDerWaalsContact O-CD1 3.25Å; Q41-I96 WeakPolarHBondContact O-CD1 3.48Å; Q41-P173 PolarHBondContact NE2-O 2.97Å; Q41-A175 VanDerWaalsContact NE2-CA 3.3Å
42	G	87.8	Confident	66.9	Low	3 Å²	3	72.2 Å²	72.2	3%	0.031	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	1	-179	0	0	0	0	0	115.9	F40 C93 C95	F40-G42 PolarHBondContact O-N 3.21Å; F40-G42 VanDerWaalsContact O-N 3.12Å; G42-C93 VanDerWaalsContact C-CB 3.44Å; G42-C93 WeakPolarHBondContact O-CB 3.39Å; G42-C95 PolarHBondContact O-SG 3.03Å; G42-C95 VanDerWaalsContact O-SG 3.37Å
43	H	92.1	Very high	69.7	Low	0 Å²	0	71 Å²	71	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.6	176.8	-68	-79.3	0	0	0	111.3	F40 Q41 F45 C74 C77 F79 T91 C93	F40-H43 WeakPolarHBondContact O-CB 3.49Å; F40-H43 PolarHBondContact O-CD2 3.16Å; F40-H43 VanDerWaalsContact O-CD2 3.31Å; F40-H43 PolarHBondContact O-N 3.25Å; Q41-H43 VanDerWaalsContact C-N 3.28Å; Q41-H43 PolarHBondContact O-N 3.41Å; H43-F45 HydrophobicContact CB-CD2 3.71Å; H43-F45 HydrophobicContact CB-CE1 4.31Å; H43-F45 HydrophobicContact CB-CE2 3.25Å; H43-F45 HydrophobicContact CB-CG 4.42Å; H43-F45 HydrophobicContact CB-CZ 3.59Å; H43-F45 AromaticContact CG-CE2 3.94Å; H43-F45 AromaticContact CG-CZ 3.85Å; H43-C74 HydrophobicContact CB-CB 4.1Å; H43-C74 PolarHBondContact ND1-SG 3.11Å; H43-C74 VanDerWaalsContact ND1-SG 3.36Å; H43-C77 PolarHBondContact CE1-SG 2.86Å; H43-C77 PolarHBondContact ND1-SG 2.74Å; H43-F79 AromaticContact CE1-CD2 3.63Å; H43-F79 AromaticContact CE1-CG 3.71Å; H43-T91 PolarHBondContact CD2-O 2.98Å; H43-T91 PolarHBondContact NE2-O 3.26Å; H43-C93 HydrophobicContact CB-CB 4.49Å; H43-C93 PolarHBondContact NE2-N 3.44Å
44	S	90.2	Very high	72.7	Confident	9 Å²	9	66 Å²	66	6%	0.063	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	85.9	172.8	-169.9	0	0	0	0	109.5	C74 E75	S44-C74 PolarHBondContact N-SG 3.34Å; S44-C74 WeakPolarHBondContact O-CA 3.48Å; S44-E75 PolarHBondContact O-N 3.1Å
45	F	91.6	Very high	75.7	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.7	-174.9	-73.6	-71	0	0	0	112.9	H43 M72 V73 C74 F79 A81 M86 V89	H43-F45 HydrophobicContact CB-CD2 3.71Å; H43-F45 HydrophobicContact CB-CE1 4.31Å; H43-F45 HydrophobicContact CB-CE2 3.25Å; H43-F45 HydrophobicContact CB-CG 4.42Å; H43-F45 HydrophobicContact CB-CZ 3.59Å; H43-F45 AromaticContact CG-CE2 3.94Å; H43-F45 AromaticContact CG-CZ 3.85Å; F45-M72 HydrophobicContact CB-CB 4.3Å; F45-M72 HydrophobicContact CB-CE 4Å; F45-M72 HydrophobicContact CD1-CB 3.77Å; F45-M72 HydrophobicContact CE1-CB 4.46Å; F45-M72 HydrophobicContact CG-CB 4.27Å; F45-V73 WeakPolarHBondContact CA-O 3.48Å; F45-C74 HydrophobicContact CD1-CB 4.31Å; F45-C74 HydrophobicContact CE1-CB 4.18Å; F45-F79 HydrophobicContact CE1-CB 4.46Å; F45-F79 HydrophobicContact CE1-CD1 4.02Å; F45-F79 HydrophobicContact CZ-CD1 4.01Å; F45-A81 HydrophobicContact CE1-CB 4.27Å; F45-M86 HydrophobicContact CB-SD 3.71Å; F45-M86 HydrophobicContact CD2-CG 3.44Å; F45-M86 VanDerWaalsContact CD2-CG 3.44Å; F45-M86 HydrophobicContact CD2-SD 3.69Å; F45-M86 HydrophobicContact CE2-CG 3.67Å; F45-M86 HydrophobicContact CG-CG 3.98Å; F45-M86 HydrophobicContact CG-SD 3.83Å; F45-M86 HydrophobicContact CZ-CG 4.41Å; F45-V89 HydrophobicContact CZ-CG2 4.16Å
46	V	89.8	Confident	78.5	Confident	22 Å²	22	57.3 Å²	57.3	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.2	167.5	-64.4	0	0	0	0	110.4	K48 M72 V73 E75	V46-K48 HydrophobicContact CG2-CG 4.26Å; V46-K48 PolarHBondContact O-N 3.5Å; V46-M72 WeakPolarHBondContact O-CA 3.18Å; V46-V73 PolarHBondContact N-O 2.9Å; V46-V73 PolarHBondContact O-N 3.12Å; V46-E75 HydrophobicContact CB-CG 4.26Å; V46-E75 VanDerWaalsContact CG1-CD 3.44Å; V46-E75 HydrophobicContact CG1-CG 3.83Å; V46-E75 VanDerWaalsContact CG1-OE2 3.25Å; V46-E75 WeakPolarHBondContact CG1-OE2 3.33Å; V46-E75 HydrophobicContact CG2-CG 3.43Å; V46-E75 VanDerWaalsContact CG2-CG 3.43Å
47	K	90.3	Very high	81.3	Confident	97 Å²	97	53.5 Å²	53.5	42%	0.422	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.3	175.5	-168.3	163.6	-175	154.4	0	109	T70 G71 M72 E83	K47-T70 VanDerWaalsContact CE-CB 3.46Å; K47-T70 WeakPolarHBondContact CE-OG1 3.22Å; K47-T70 HydrophobicContact CG-CG2 4.4Å; K47-G71 WeakPolarHBondContact CA-O 3.43Å; K47-M72 HydrophobicContact CB-CE 4.39Å; K47-M72 HydrophobicContact CB-SD 3.85Å; K47-M72 HydrophobicContact CG-SD 4.15Å; K47-E83 IonicContact NZ-OE2 2.82Å; K47-E83 PolarHBondContact NZ-OE2 3.45Å
48	K	86.4	Confident	83.7	Confident	105 Å²	105	48.2 Å²	48.2	46%	0.457	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.4	174.3	-71	-167.3	175	-173.3	0	110.4	V46 T70 G71 V73	V46-K48 HydrophobicContact CG2-CG 4.26Å; V46-K48 PolarHBondContact O-N 3.5Å; K48-T70 WeakPolarHBondContact O-CA 3.32Å; K48-G71 PolarHBondContact N-O 3.32Å; K48-G71 PolarHBondContact O-N 2.94Å; K48-V73 HydrophobicContact CB-CG2 4.3Å; K48-V73 HydrophobicContact CD-CB 4.27Å; K48-V73 HydrophobicContact CD-CG2 4.26Å; K48-V73 HydrophobicContact CG-CG2 4.47Å
49	N	85.2	Confident	85.4	Confident	117 Å²	117	48.8 Å²	48.8	63%	0.626	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.2	165.6	-68.1	-15.9	0	0	0	107.9	T69 T70	N49-T69 CarbonylContact C-O 3.57Å; N49-T69 WeakPolarHBondContact CA-O 3.44Å; N49-T70 WeakPolarHBondContact OD1-CG2 3.49Å
50	L	81.5	Confident	86.7	Confident	33 Å²	33	46.6 Å²	46.6	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.8	178	-55.7	166.4	0	0	0	107.9	K52 A54 L63 T69 L80	L50-K52 VanDerWaalsContact C-N 3.34Å; L50-A54 HydrophobicContact CD1-CB 4.09Å; L50-L63 HydrophobicContact CD1-CB 4.15Å; L50-L63 HydrophobicContact CD1-CD1 4.26Å; L50-T69 WeakPolarHBondContact CB-OG1 3.05Å; L50-T69 PolarHBondContact N-O 2.94Å; L50-T69 PolarHBondContact O-OG1 3.25Å; L50-L80 HydrophobicContact CD1-CD1 4.09Å; L50-L80 HydrophobicContact CD1-CD2 4.36Å; L50-L80 HydrophobicContact CD2-CD1 4.28Å
51	H	78.6	Confident	87.3	Confident	183 Å²	183	48.3 Å²	48.3	85%	0.847	25%	0.249	S	C	*	.	S	Bend	trans	-84.6	-11.8	179.7	-61.4	-69.2	0	0	0	113.1
52	K	81.1	Confident	87.4	Confident	131 Å²	131	52 Å²	52	57%	0.57	27%	0.269	S	S	*	.	S	Bend	trans	-128.3	147.3	177.8	-62.5	178.2	-174.6	174.5	0	108.8	L50 A54 E435	L50-K52 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 2.79Å; K52-E435 IonicContact NZ-OE1 3.12Å; K52-E435 PolarHBondContact NZ-OE1 2.75Å
53	P	83.1	Confident	87.2	Confident	80 Å²	80	52.2 Å²	52.2	52%	0.519	27%	0.269	S	S	.	.			trans	-54.5	131.4	169.8	-14.4	22.8	0	0	0	109.9	L62 W64	P53-L62 HydrophobicContact CB-CD1 3.92Å; P53-W64 HydrophobicContact CB-CE3 3.88Å; P53-W64 HydrophobicContact CB-CZ3 4.17Å; P53-W64 HydrophobicContact CG-CE3 3.77Å; P53-W64 HydrophobicContact CG-CH2 4.42Å; P53-W64 HydrophobicContact CG-CZ3 3.57Å
54	A	87.1	Confident	86.3	Confident	23 Å²	23	60 Å²	60	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	164.1	179.1	0	0	0	0	0	110.1	L50 K52 L62 L63 L80	L50-A54 HydrophobicContact CD1-CB 4.09Å; K52-A54 PolarHBondContact O-N 2.79Å; A54-L62 WeakPolarHBondContact O-CD1 3.29Å; A54-L63 HydrophobicContact CB-CD1 4.44Å; A54-L63 WeakPolarHBondContact O-CB 3.41Å; A54-L63 PolarHBondContact O-N 2.97Å; A54-L80 HydrophobicContact CB-CD2 3.44Å; A54-L80 VanDerWaalsContact CB-CD2 3.44Å
55	T	89.2	Confident	85	Confident	22 Å²	22	60.9 Å²	60.9	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.8	-179.2	49.8	0	0	0	0	110.5	H57 L62 E352 C353	T55-H57 PolarHBondContact O-CD2 3.36Å; T55-H57 PolarHBondContact O-N 3.45Å; T55-L62 HydrophobicContact CG2-CD1 4.34Å; T55-E352 HydrophobicContact CG2-CB 4.33Å; T55-C353 WeakPolarHBondContact OG1-CB 3.49Å; T55-C353 PolarHBondContact OG1-SG 2.9Å
56	C	90.9	Very high	83.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.35	C	S	.	.			trans	-68.6	125.2	175.4	174.3	0	0	0	0	109.7	H58 C59 S60 D61 L63 H82	C56-H58 PolarHBondContact O-N 3.21Å; C56-H58 PolarHBondContact SG-N 3.5Å; C56-C59 PolarHBondContact SG-N 3.22Å; C56-C59 VanDerWaalsContact SG-SG 3.64Å; C56-S60 WeakPolarHBondContact O-CA 3.41Å; C56-S60 PolarHBondContact O-N 2.82Å; C56-D61 PolarHBondContact N-O 3.24Å; C56-L63 HydrophobicContact CB-CD1 4.24Å; C56-L63 HydrophobicContact CB-CG 4.3Å; C56-H82 WeakPolarHBondContact CB-CE1 3.49Å; C56-H82 WeakPolarHBondContact CB-ND1 3.47Å; C56-H82 PolarHBondContact SG-ND1 3.06Å
57	H	92.3	Very high	82	Confident	16 Å²	16	76.2 Å²	76.2	7%	0.074	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.6	179	-62.6	-179.9	0	0	0	112.5	T55 N78 F79 L80 C353 T355 Y368	T55-H57 PolarHBondContact O-CD2 3.36Å; T55-H57 PolarHBondContact O-N 3.45Å; H57-N78 PolarHBondContact CE1-O 3.47Å; H57-N78 VanDerWaalsContact CE1-O 3.28Å; H57-F79 HydrophobicContact CB-CD1 4.22Å; H57-F79 HydrophobicContact CB-CD2 4.31Å; H57-F79 HydrophobicContact CB-CE1 3.81Å; H57-F79 HydrophobicContact CB-CE2 3.86Å; H57-F79 HydrophobicContact CB-CG 4.46Å; H57-F79 HydrophobicContact CB-CZ 3.59Å; H57-L80 WeakPolarHBondContact CB-O 3.31Å; H57-L80 PolarHBondContact N-O 3.36Å; H57-L80 PolarHBondContact ND1-N 2.89Å; H57-C353 WeakPolarHBondContact CD2-CB 3.48Å; H57-T355 PolarHBondContact O-OG1 2.86Å; H57-T355 VanDerWaalsContact O-OG1 3.08Å; H57-Y368 VanDerWaalsContact O-CD2 3.23Å; H57-Y368 WeakPolarHBondContact O-CD2 3.33Å; H57-Y368 WeakPolarHBondContact O-CE2 3.16Å
58	H	90.7	Very high	80.6	Confident	8 Å²	8	74.3 Å²	74.3	4%	0.037	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-56.6	179.9	-179.7	67.2	0	0	0	113	C56 F79 C85 S88 V89 Y368	C56-H58 PolarHBondContact O-N 3.21Å; C56-H58 PolarHBondContact SG-N 3.5Å; H58-F79 HydrophobicContact CB-CE1 4.2Å; H58-F79 HydrophobicContact CB-CZ 4.14Å; H58-C85 HydrophobicContact CB-CB 4.31Å; H58-S88 PolarHBondContact CD2-OG 3.47Å; H58-S88 PolarHBondContact CE1-O 3.15Å; H58-S88 PolarHBondContact NE2-O 3.39Å; H58-S88 PolarHBondContact NE2-OG 2.96Å; H58-V89 HydrophobicContact CB-CG2 4.48Å; H58-Y368 WeakPolarHBondContact O-CD2 3.22Å
59	C	87.4	Confident	79.7	Confident	25 Å²	25	69.6 Å²	69.6	17%	0.169	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-8	-177	72	0	0	0	0	113.9	C56 D61 H82	C56-C59 PolarHBondContact SG-N 3.22Å; C56-C59 VanDerWaalsContact SG-SG 3.64Å; C59-D61 PolarHBondContact O-N 3.06Å; C59-D61 PolarHBondContact SG-OD2 3.43Å; C59-H82 PolarHBondContact SG-CE1 2.95Å; C59-H82 PolarHBondContact SG-ND1 3.01Å; C59-H82 VanDerWaalsContact SG-ND1 3.38Å
60	S	86.1	Confident	79.5	Confident	29 Å²	29	67 Å²	67	20%	0.203	36%	0.364	C	S	.	.			trans	65.8	3.8	-175.7	-43	0	0	0	0	115.5	C56 T355	C56-S60 WeakPolarHBondContact O-CA 3.41Å; C56-S60 PolarHBondContact O-N 2.82Å; S60-T355 WeakPolarHBondContact OG-CG2 3.09Å; S60-T355 PolarHBondContact OG-OG1 2.94Å
61	D	86.6	Confident	79.7	Confident	96 Å²	96	65.5 Å²	65.5	51%	0.513	36%	0.356	S	S	.	.			trans	-79.9	157.9	175.7	-58.2	-42.9	0	0	0	111.7	C56 C59	C56-D61 PolarHBondContact N-O 3.24Å; C59-D61 PolarHBondContact O-N 3.06Å; C59-D61 PolarHBondContact SG-OD2 3.43Å
62	L	87.2	Confident	80.4	Confident	93 Å²	93	57 Å²	57	49%	0.487	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	139.3	176.1	-165.2	69.9	0	0	0	111.4	P53 A54 T55 W64 H82	P53-L62 HydrophobicContact CB-CD1 3.92Å; A54-L62 WeakPolarHBondContact O-CD1 3.29Å; T55-L62 HydrophobicContact CG2-CD1 4.34Å; L62-W64 HydrophobicContact CD2-CB 3.52Å; L62-W64 HydrophobicContact CD2-CG 4.22Å; L62-W64 HydrophobicContact CG-CB 3.83Å; L62-W64 PolarHBondContact O-N 2.99Å; L62-H82 PolarHBondContact O-NE2 3.23Å; L62-H82 VanDerWaalsContact O-NE2 3.09Å
63	L	84.5	Confident	80.9	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	86.9	164.9	-69.2	152	0	0	0	106.8	L50 A54 C56 T69 L80 H82	L50-L63 HydrophobicContact CD1-CB 4.15Å; L50-L63 HydrophobicContact CD1-CD1 4.26Å; A54-L63 HydrophobicContact CB-CD1 4.44Å; A54-L63 WeakPolarHBondContact O-CB 3.41Å; A54-L63 PolarHBondContact O-N 2.97Å; C56-L63 HydrophobicContact CB-CD1 4.24Å; C56-L63 HydrophobicContact CB-CG 4.3Å; L63-T69 WeakPolarHBondContact O-CG2 3.31Å; L63-L80 HydrophobicContact CD1-CD1 3.81Å; L63-L80 HydrophobicContact CD1-CD2 3.49Å; L63-L80 VanDerWaalsContact CD1-CD2 3.49Å; L63-L80 HydrophobicContact CD1-CG 3.43Å; L63-L80 VanDerWaalsContact CD1-CG 3.43Å; L63-H82 HydrophobicContact CD2-CB 4.18Å; L63-H82 WeakPolarHBondContact CD2-CD2 3.38Å
64	W	72.3	Confident	81.4	Confident	164 Å²	164	47.6 Å²	47.6	62%	0.621	27%	0.269	S	S	*	.			trans	-132	144.1	179.2	-168.2	-105.7	0	0	0	113.6	P53 L62 T69	P53-W64 HydrophobicContact CB-CE3 3.88Å; P53-W64 HydrophobicContact CB-CZ3 4.17Å; P53-W64 HydrophobicContact CG-CE3 3.77Å; P53-W64 HydrophobicContact CG-CH2 4.42Å; P53-W64 HydrophobicContact CG-CZ3 3.57Å; L62-W64 HydrophobicContact CD2-CB 3.52Å; L62-W64 HydrophobicContact CD2-CG 4.22Å; L62-W64 HydrophobicContact CG-CB 3.83Å; L62-W64 PolarHBondContact O-N 2.99Å; W64-T69 HydrophobicContact CB-CG2 4.41Å; W64-T69 HydrophobicContact CD2-CG2 4.2Å; W64-T69 HydrophobicContact CE3-CG2 3.76Å; W64-T69 HydrophobicContact CG-CG2 4.5Å; W64-T69 HydrophobicContact CZ3-CG2 4.4Å
65	G	62.6	Low	81.5	Confident	27 Å²	27	49.3 Å²	49.3	28%	0.278	27%	0.273	S	S	.	.			trans	-163.5	145.3	-177.1	0	0	0	0	0	111	L67	G65-L67 VanDerWaalsContact C-N 3.3Å; G65-L67 PolarHBondContact O-N 2.94Å
66	I	57.2	Low	81.6	Confident	169 Å²	169	49 Å²	49	87%	0.867	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.7	-168.9	-62.9	167.3	0	0	0	113.1
67	L	61.1	Low	81.7	Confident	177 Å²	177	49 Å²	49	93%	0.927	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	25.1	-174	-72.3	162.4	0	0	0	113.5	G65	G65-L67 VanDerWaalsContact C-N 3.3Å; G65-L67 PolarHBondContact O-N 2.94Å
68	G	60.6	Low	81.8	Confident	56 Å²	56	50.8 Å²	50.8	58%	0.577	28%	0.282	S	S	*	.			trans	93.6	147	-168.3	0	0	0	0	0	111.3
69	T	68.1	Low	81.9	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.2	-170.7	46.7	0	0	0	0	109.8	N49 L50 L63 W64	N49-T69 CarbonylContact C-O 3.57Å; N49-T69 WeakPolarHBondContact CA-O 3.44Å; L50-T69 WeakPolarHBondContact CB-OG1 3.05Å; L50-T69 PolarHBondContact N-O 2.94Å; L50-T69 PolarHBondContact O-OG1 3.25Å; L63-T69 WeakPolarHBondContact O-CG2 3.31Å; W64-T69 HydrophobicContact CB-CG2 4.41Å; W64-T69 HydrophobicContact CD2-CG2 4.2Å; W64-T69 HydrophobicContact CE3-CG2 3.76Å; W64-T69 HydrophobicContact CG-CG2 4.5Å; W64-T69 HydrophobicContact CZ3-CG2 4.4Å
70	T	80.6	Confident	82.2	Confident	63 Å²	63	50 Å²	50	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	170.8	51.3	0	0	0	0	109.2	K47 K48 N49	K47-T70 VanDerWaalsContact CE-CB 3.46Å; K47-T70 WeakPolarHBondContact CE-OG1 3.22Å; K47-T70 HydrophobicContact CG-CG2 4.4Å; K48-T70 WeakPolarHBondContact O-CA 3.32Å; N49-T70 WeakPolarHBondContact OD1-CG2 3.49Å
71	G	87.1	Confident	82.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.3	174.3	0	0	0	0	0	110.8	K47 K48	K47-G71 WeakPolarHBondContact CA-O 3.43Å; K48-G71 PolarHBondContact N-O 3.32Å; K48-G71 PolarHBondContact O-N 2.94Å
72	M	91.6	Very high	82.7	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118	171.4	-57.5	-54.6	-69.8	0	0	108.1	F45 V46 K47 L80 A81 E83 M86	F45-M72 HydrophobicContact CB-CB 4.3Å; F45-M72 HydrophobicContact CB-CE 4Å; F45-M72 HydrophobicContact CD1-CB 3.77Å; F45-M72 HydrophobicContact CE1-CB 4.46Å; F45-M72 HydrophobicContact CG-CB 4.27Å; V46-M72 WeakPolarHBondContact O-CA 3.18Å; K47-M72 HydrophobicContact CB-CE 4.39Å; K47-M72 HydrophobicContact CB-SD 3.85Å; K47-M72 HydrophobicContact CG-SD 4.15Å; M72-L80 CarbonylContact O-C 3.56Å; M72-L80 WeakPolarHBondContact O-CA 3.43Å; M72-A81 PolarHBondContact N-O 3.23Å; M72-A81 PolarHBondContact O-N 3.49Å; M72-E83 HydrophobicContact CG-CB 4.11Å; M72-E83 HydrophobicContact CG-CG 4.39Å; M72-E83 HydrophobicContact SD-CB 4.5Å; M72-E83 HydrophobicContact SD-CG 4.34Å; M72-M86 HydrophobicContact CE-SD 3.98Å; M72-M86 HydrophobicContact CG-SD 4.45Å
73	V	92.2	Very high	82.7	Confident	15 Å²	15	45 Å²	45	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.1	179.2	-178.5	0	0	0	0	109	F45 V46 K48 E75 F79 L80	F45-V73 WeakPolarHBondContact CA-O 3.48Å; V46-V73 PolarHBondContact N-O 2.9Å; V46-V73 PolarHBondContact O-N 3.12Å; K48-V73 HydrophobicContact CB-CG2 4.3Å; K48-V73 HydrophobicContact CD-CB 4.27Å; K48-V73 HydrophobicContact CD-CG2 4.26Å; K48-V73 HydrophobicContact CG-CG2 4.47Å; V73-E75 PolarHBondContact O-N 3.15Å; V73-F79 CarbonylContact C-O 3.53Å; V73-F79 WeakPolarHBondContact CA-O 3.31Å; V73-L80 HydrophobicContact CG2-CD1 3.47Å; V73-L80 VanDerWaalsContact CG2-CD1 3.47Å
74	C	93.5	Very high	82.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.4	170	178.6	0	0	0	0	109.9	H43 S44 F45 V76 N78 F79 C93	H43-C74 HydrophobicContact CB-CB 4.1Å; H43-C74 PolarHBondContact ND1-SG 3.11Å; H43-C74 VanDerWaalsContact ND1-SG 3.36Å; S44-C74 PolarHBondContact N-SG 3.34Å; S44-C74 WeakPolarHBondContact O-CA 3.48Å; F45-C74 HydrophobicContact CD1-CB 4.31Å; F45-C74 HydrophobicContact CE1-CB 4.18Å; C74-V76 PolarHBondContact O-N 2.93Å; C74-N78 WeakPolarHBondContact O-CA 3.48Å; C74-N78 PolarHBondContact O-N 3.28Å; C74-F79 HydrophobicContact CB-CB 3.73Å; C74-F79 PolarHBondContact N-O 3.44Å; C74-C93 VanDerWaalsContact SG-SG 3.62Å
75	E	89.5	Confident	83.8	Confident	58 Å²	58	45.1 Å²	45.1	27%	0.271	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.9	-178	-61.5	-175.3	87.1	0	0	114.3	S44 V46 V73 K489	S44-E75 PolarHBondContact O-N 3.1Å; V46-E75 HydrophobicContact CB-CG 4.26Å; V46-E75 VanDerWaalsContact CG1-CD 3.44Å; V46-E75 HydrophobicContact CG1-CG 3.83Å; V46-E75 VanDerWaalsContact CG1-OE2 3.25Å; V46-E75 WeakPolarHBondContact CG1-OE2 3.33Å; V46-E75 HydrophobicContact CG2-CG 3.43Å; V46-E75 VanDerWaalsContact CG2-CG 3.43Å; V73-E75 PolarHBondContact O-N 3.15Å; E75-K489 HydrophobicContact CB-CD 4.06Å; E75-K489 IonicContact OE1-NZ 2.68Å; E75-K489 PolarHBondContact OE1-NZ 3.08Å; E75-K489 IonicContact OE2-NZ 3.27Å; E75-K489 PolarHBondContact OE2-NZ 2.99Å
76	V	91.7	Very high	85	Confident	15 Å²	15	44 Å²	44	9%	0.091	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-61.2	178.7	176.8	0	0	0	0	110.5	C74 C95 K489 Q492 P495	C74-V76 PolarHBondContact O-N 2.93Å; V76-C95 HydrophobicContact CG1-CB 3.77Å; V76-K489 HydrophobicContact CG2-CG 4.03Å; V76-Q492 HydrophobicContact CG1-CB 4.4Å; V76-Q492 HydrophobicContact CG1-CG 4.39Å; V76-P495 HydrophobicContact CG2-CG 4.36Å
77	C	93.2	Very high	86.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.4	-171.1	71.4	0	0	0	0	114	H43 F79 T94 C123 R124	H43-C77 PolarHBondContact CE1-SG 2.86Å; H43-C77 PolarHBondContact ND1-SG 2.74Å; C77-F79 VanDerWaalsContact C-N 3.28Å; C77-F79 PolarHBondContact O-N 3.03Å; C77-T94 HydrophobicContact CB-CG2 4.08Å; C77-T94 WeakPolarHBondContact CB-OG1 3.47Å; C77-C123 CarbonylContact O-C 3.49Å; C77-C123 VanDerWaalsContact O-O 3.1Å; C77-R124 VanDerWaalsContact O-CD 3.22Å; C77-R124 WeakPolarHBondContact O-CD 3.36Å; C77-R124 VanDerWaalsContact O-CG 3.27Å; C77-R124 WeakPolarHBondContact O-CG 3.36Å
78	N	92.9	Very high	87.6	Confident	55 Å²	55	39.4 Å²	39.4	29%	0.294	21%	0.205	S	C	.	.			trans	61.2	29.1	-175.1	-50.8	-60	0	0	0	114.3	H57 C74 L80 C123	H57-N78 PolarHBondContact CE1-O 3.47Å; H57-N78 VanDerWaalsContact CE1-O 3.28Å; C74-N78 WeakPolarHBondContact O-CA 3.48Å; C74-N78 PolarHBondContact O-N 3.28Å; N78-L80 PolarHBondContact O-N 3.13Å; N78-L80 VanDerWaalsContact O-N 3.16Å; N78-C123 PolarHBondContact ND2-O 3.43Å
79	F	93.8	Very high	89	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.			trans	-62.1	117	171.3	-163.1	-76.2	0	0	0	110.1	H43 F45 H57 H58 V73 C74 C77 A81 V89 T91	H43-F79 AromaticContact CE1-CD2 3.63Å; H43-F79 AromaticContact CE1-CG 3.71Å; F45-F79 HydrophobicContact CE1-CB 4.46Å; F45-F79 HydrophobicContact CE1-CD1 4.02Å; F45-F79 HydrophobicContact CZ-CD1 4.01Å; H57-F79 HydrophobicContact CB-CD1 4.22Å; H57-F79 HydrophobicContact CB-CD2 4.31Å; H57-F79 HydrophobicContact CB-CE1 3.81Å; H57-F79 HydrophobicContact CB-CE2 3.86Å; H57-F79 HydrophobicContact CB-CG 4.46Å; H57-F79 HydrophobicContact CB-CZ 3.59Å; H58-F79 HydrophobicContact CB-CE1 4.2Å; H58-F79 HydrophobicContact CB-CZ 4.14Å; V73-F79 CarbonylContact C-O 3.53Å; V73-F79 WeakPolarHBondContact CA-O 3.31Å; C74-F79 HydrophobicContact CB-CB 3.73Å; C74-F79 PolarHBondContact N-O 3.44Å; C77-F79 VanDerWaalsContact C-N 3.28Å; C77-F79 PolarHBondContact O-N 3.03Å; F79-A81 HydrophobicContact CD1-CB 4.16Å; F79-A81 HydrophobicContact CE1-CB 4Å; F79-V89 HydrophobicContact CE1-CG1 4.24Å; F79-V89 HydrophobicContact CE1-CG2 3.92Å; F79-V89 HydrophobicContact CZ-CG1 4.13Å; F79-V89 HydrophobicContact CZ-CG2 4.42Å; F79-T91 HydrophobicContact CE2-CG2 4.39Å; F79-T91 WeakPolarHBondContact CE2-OG1 3.28Å
80	L	93.4	Very high	89.8	Confident	15 Å²	15	37.1 Å²	37.1	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.4	179.4	176.8	64.1	0	0	0	110.2	L50 A54 H57 L63 M72 V73 N78	L50-L80 HydrophobicContact CD1-CD1 4.09Å; L50-L80 HydrophobicContact CD1-CD2 4.36Å; L50-L80 HydrophobicContact CD2-CD1 4.28Å; A54-L80 HydrophobicContact CB-CD2 3.44Å; A54-L80 VanDerWaalsContact CB-CD2 3.44Å; H57-L80 WeakPolarHBondContact CB-O 3.31Å; H57-L80 PolarHBondContact N-O 3.36Å; H57-L80 PolarHBondContact ND1-N 2.89Å; L63-L80 HydrophobicContact CD1-CD1 3.81Å; L63-L80 HydrophobicContact CD1-CD2 3.49Å; L63-L80 VanDerWaalsContact CD1-CD2 3.49Å; L63-L80 HydrophobicContact CD1-CG 3.43Å; L63-L80 VanDerWaalsContact CD1-CG 3.43Å; M72-L80 CarbonylContact O-C 3.56Å; M72-L80 WeakPolarHBondContact O-CA 3.43Å; V73-L80 HydrophobicContact CG2-CD1 3.47Å; V73-L80 VanDerWaalsContact CG2-CD1 3.47Å; N78-L80 PolarHBondContact O-N 3.13Å; N78-L80 VanDerWaalsContact O-N 3.16Å
81	A	92	Very high	90.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.8	-179	0	0	0	0	0	112.4	F45 M72 F79 C85	F45-A81 HydrophobicContact CE1-CB 4.27Å; M72-A81 PolarHBondContact N-O 3.23Å; M72-A81 PolarHBondContact O-N 3.49Å; F79-A81 HydrophobicContact CD1-CB 4.16Å; F79-A81 HydrophobicContact CE1-CB 4Å; A81-C85 HydrophobicContact CB-CB 4.39Å
82	H	90.7	Very high	90.3	Very high	27 Å²	27	35 Å²	35	13%	0.125	17%	0.169	C	C	.	.			trans	-64.2	150	161.7	-57	92.8	0	0	0	109.7	C56 C59 L62 L63 K84 C85 M86	C56-H82 WeakPolarHBondContact CB-CE1 3.49Å; C56-H82 WeakPolarHBondContact CB-ND1 3.47Å; C56-H82 PolarHBondContact SG-ND1 3.06Å; C59-H82 PolarHBondContact SG-CE1 2.95Å; C59-H82 PolarHBondContact SG-ND1 3.01Å; C59-H82 VanDerWaalsContact SG-ND1 3.38Å; L62-H82 PolarHBondContact O-NE2 3.23Å; L62-H82 VanDerWaalsContact O-NE2 3.09Å; L63-H82 HydrophobicContact CD2-CB 4.18Å; L63-H82 WeakPolarHBondContact CD2-CD2 3.38Å; H82-K84 HydrophobicContact CB-CG 3.75Å; H82-K84 PolarHBondContact O-N 3.05Å; H82-C85 HydrophobicContact CB-CB 4.09Å; H82-C85 PolarHBondContact O-N 3.4Å; H82-M86 PolarHBondContact O-N 3.36Å; H82-M86 VanDerWaalsContact O-N 3.14Å
83	E	88.9	Confident	90.4	Very high	86 Å²	86	34.9 Å²	34.9	40%	0.402	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.1	172.3	-167.6	169.1	165.6	0	0	111.7	K47 M72 C85 M86	K47-E83 IonicContact NZ-OE2 2.82Å; K47-E83 PolarHBondContact NZ-OE2 3.45Å; M72-E83 HydrophobicContact CG-CB 4.11Å; M72-E83 HydrophobicContact CG-CG 4.39Å; M72-E83 HydrophobicContact SD-CB 4.5Å; M72-E83 HydrophobicContact SD-CG 4.34Å; E83-C85 PolarHBondContact O-N 3.02Å; E83-M86 WeakPolarHBondContact O-CB 3.48Å; E83-M86 PolarHBondContact O-N 2.81Å
84	K	88	Confident	90.3	Very high	163 Å²	163	34.6 Å²	34.6	71%	0.709	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.4	174.3	66.9	180	-179.4	-179.9	0	114.7	H82	H82-K84 HydrophobicContact CB-CG 3.75Å; H82-K84 PolarHBondContact O-N 3.05Å
85	C	90.1	Very high	90.2	Very high	11 Å²	11	34.7 Å²	34.7	7%	0.074	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.6	-178	-69.9	0	0	0	0	112.3	H58 A81 H82 E83 R87 S88 V89	H58-C85 HydrophobicContact CB-CB 4.31Å; A81-C85 HydrophobicContact CB-CB 4.39Å; H82-C85 HydrophobicContact CB-CB 4.09Å; H82-C85 PolarHBondContact O-N 3.4Å; E83-C85 PolarHBondContact O-N 3.02Å; C85-R87 VanDerWaalsContact C-N 3.26Å; C85-R87 PolarHBondContact O-N 3.47Å; C85-S88 PolarHBondContact O-N 2.85Å; C85-S88 PolarHBondContact O-OG 3.2Å; C85-V89 WeakPolarHBondContact O-CG2 3.43Å; C85-V89 PolarHBondContact O-N 3.47Å
86	M	88.4	Confident	90.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.02	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-52.5	-42.1	-174.8	-175.2	178.9	58.6	0	0	113.1	L36 F40 F45 M72 H82 E83 S88	L36-M86 HydrophobicContact CD2-CE 4.03Å; F40-M86 HydrophobicContact CD2-CE 4.41Å; F40-M86 HydrophobicContact CD2-CG 3.6Å; F40-M86 HydrophobicContact CD2-SD 4.16Å; F40-M86 HydrophobicContact CE2-CE 3.74Å; F40-M86 HydrophobicContact CE2-CG 3.88Å; F40-M86 HydrophobicContact CE2-SD 4.05Å; F45-M86 HydrophobicContact CB-SD 3.71Å; F45-M86 HydrophobicContact CD2-CG 3.44Å; F45-M86 VanDerWaalsContact CD2-CG 3.44Å; F45-M86 HydrophobicContact CD2-SD 3.69Å; F45-M86 HydrophobicContact CE2-CG 3.67Å; F45-M86 HydrophobicContact CG-CG 3.98Å; F45-M86 HydrophobicContact CG-SD 3.83Å; F45-M86 HydrophobicContact CZ-CG 4.41Å; M72-M86 HydrophobicContact CE-SD 3.98Å; M72-M86 HydrophobicContact CG-SD 4.45Å; H82-M86 PolarHBondContact O-N 3.36Å; H82-M86 VanDerWaalsContact O-N 3.14Å; E83-M86 WeakPolarHBondContact O-CB 3.48Å; E83-M86 PolarHBondContact O-N 2.81Å; M86-S88 VanDerWaalsContact C-N 3.32Å; M86-S88 PolarHBondContact O-N 3.29Å
87	R	85.4	Confident	90.1	Very high	190 Å²	190	32.9 Å²	32.9	72%	0.717	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-75.4	-18.7	-178.7	-61.1	-172.3	178.7	169.1	-0.1	114	F40 C85	F40-R87 HydrophobicContact CE1-CB 4.21Å; F40-R87 HydrophobicContact CE1-CG 3.93Å; F40-R87 HydrophobicContact CE2-CG 4.18Å; F40-R87 HydrophobicContact CZ-CB 4.39Å; F40-R87 HydrophobicContact CZ-CG 3.65Å; C85-R87 VanDerWaalsContact C-N 3.26Å; C85-R87 PolarHBondContact O-N 3.47Å
88	S	87.8	Confident	89.7	Confident	58 Å²	58	33.1 Å²	33.1	41%	0.406	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-101.7	1.7	179.6	65.8	0	0	0	0	113	H58 C85 M86 V90	H58-S88 PolarHBondContact CD2-OG 3.47Å; H58-S88 PolarHBondContact CE1-O 3.15Å; H58-S88 PolarHBondContact NE2-O 3.39Å; H58-S88 PolarHBondContact NE2-OG 2.96Å; C85-S88 PolarHBondContact O-N 2.85Å; C85-S88 PolarHBondContact O-OG 3.2Å; M86-S88 VanDerWaalsContact C-N 3.32Å; M86-S88 PolarHBondContact O-N 3.29Å; S88-V90 PolarHBondContact O-N 3.26Å; S88-V90 VanDerWaalsContact O-N 3.16Å
89	V	89.3	Confident	89.2	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.036	16%	0.159	C	C	.	.			trans	-58.6	121.5	175.4	174.7	0	0	0	0	108.6	Q41 F45 H58 F79 C85 T91	Q41-V89 VanDerWaalsContact CG-O 3.25Å; Q41-V89 WeakPolarHBondContact CG-O 3.41Å; F45-V89 HydrophobicContact CZ-CG2 4.16Å; H58-V89 HydrophobicContact CB-CG2 4.48Å; F79-V89 HydrophobicContact CE1-CG1 4.24Å; F79-V89 HydrophobicContact CE1-CG2 3.92Å; F79-V89 HydrophobicContact CZ-CG1 4.13Å; F79-V89 HydrophobicContact CZ-CG2 4.42Å; C85-V89 WeakPolarHBondContact O-CG2 3.43Å; C85-V89 PolarHBondContact O-N 3.47Å; V89-T91 WeakPolarHBondContact CG1-OG1 3.42Å
90	V	84.9	Confident	88.6	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.055	17%	0.172	C	C	.	.			trans	-92.9	-42.7	175.9	-66.1	0	0	0	0	110.4	Q41 S88 A92 I172 Y368 Y371	Q41-V90 VanDerWaalsContact CG-O 3.22Å; Q41-V90 WeakPolarHBondContact CG-O 3.24Å; Q41-V90 PolarHBondContact NE2-O 3.21Å; S88-V90 PolarHBondContact O-N 3.26Å; S88-V90 VanDerWaalsContact O-N 3.16Å; V90-A92 PolarHBondContact O-N 3.42Å; V90-I172 HydrophobicContact CB-CG2 3.94Å; V90-I172 HydrophobicContact CG2-CD1 3.86Å; V90-I172 HydrophobicContact CG2-CG2 4.35Å; V90-I172 WeakPolarHBondContact O-CG2 3.26Å; V90-Y368 HydrophobicContact CG2-CD1 3.66Å; V90-Y368 HydrophobicContact CG2-CG 4.26Å; V90-Y371 HydrophobicContact CB-CE1 4.34Å; V90-Y371 HydrophobicContact CG1-CE1 4.17Å; V90-Y371 HydrophobicContact CG2-CE1 4.03Å
91	T	87.5	Confident	87.9	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.025	17%	0.173	C	C	.	.	S	Bend	trans	-55.3	124.8	-174.8	46.4	0	0	0	0	112.3	Q41 H43 F79 V89 I172 Y368	Q41-T91 WeakPolarHBondContact CB-O 3.45Å; H43-T91 PolarHBondContact CD2-O 2.98Å; H43-T91 PolarHBondContact NE2-O 3.26Å; F79-T91 HydrophobicContact CE2-CG2 4.39Å; F79-T91 WeakPolarHBondContact CE2-OG1 3.28Å; V89-T91 WeakPolarHBondContact CG1-OG1 3.42Å; T91-I172 HydrophobicContact CG2-CD1 4.36Å; T91-Y368 HydrophobicContact CG2-CD1 3.67Å; T91-Y368 HydrophobicContact CG2-CE1 3Å; T91-Y368 HydrophobicContact CG2-CE2 4.22Å; T91-Y368 WeakPolarHBondContact CG2-OH 3.34Å
92	A	90.5	Very high	87	Confident	16 Å²	16	41.2 Å²	41.2	13%	0.132	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-60.1	140.9	169.6	0	0	0	0	0	111.2	V90 I96 A97 L100	V90-A92 PolarHBondContact O-N 3.42Å; A92-I96 HydrophobicContact CB-CD1 4.49Å; A92-I96 HydrophobicContact CB-CG1 4.26Å; A92-A97 HydrophobicContact CB-CB 4.09Å; A92-L100 HydrophobicContact CB-CD1 3.66Å
93	C	93.7	Very high	86.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-67.7	148.7	168.5	-165.9	0	0	0	0	109.7	Q41 G42 H43 C74 C95 I96 A97	Q41-C93 PolarHBondContact O-N 3.04Å; G42-C93 VanDerWaalsContact C-CB 3.44Å; G42-C93 WeakPolarHBondContact O-CB 3.39Å; H43-C93 HydrophobicContact CB-CB 4.49Å; H43-C93 PolarHBondContact NE2-N 3.44Å; C74-C93 VanDerWaalsContact SG-SG 3.62Å; C93-C95 PolarHBondContact O-N 2.88Å; C93-C95 VanDerWaalsContact O-N 3.14Å; C93-I96 HydrophobicContact CB-CG1 4.47Å; C93-I96 WeakPolarHBondContact O-CG1 3.33Å; C93-I96 PolarHBondContact O-N 3.4Å; C93-A97 WeakPolarHBondContact O-CB 3.34Å; C93-A97 PolarHBondContact O-N 2.91Å
94	T	91.4	Very high	85.7	Confident	10 Å²	10	37.6 Å²	37.6	6%	0.061	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	179.9	58.6	0	0	0	0	113.1	C77 I96 P98 V122 Q492	C77-T94 HydrophobicContact CB-CG2 4.08Å; C77-T94 WeakPolarHBondContact CB-OG1 3.47Å; T94-I96 VanDerWaalsContact C-N 3.28Å; T94-I96 PolarHBondContact O-N 2.9Å; T94-P98 WeakPolarHBondContact O-CD 3.43Å; T94-V122 WeakPolarHBondContact CG2-O 3.38Å; T94-Q492 PolarHBondContact OG1-OE1 3.27Å
95	C	90.9	Very high	85.3	Confident	1 Å²	1	31 Å²	31	1%	0.007	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.1	171	59.8	0	0	0	0	114.7	G42 V76 C93 F99 Q492	G42-C95 PolarHBondContact O-SG 3.03Å; G42-C95 VanDerWaalsContact O-SG 3.37Å; V76-C95 HydrophobicContact CG1-CB 3.77Å; C93-C95 PolarHBondContact O-N 2.88Å; C93-C95 VanDerWaalsContact O-N 3.14Å; C95-F99 WeakPolarHBondContact O-CE2 3.29Å; C95-Q492 WeakPolarHBondContact CA-O 3.38Å; C95-Q492 WeakPolarHBondContact CB-O 3.41Å
96	I	89.9	Confident	85	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.067	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-20.3	176.9	67.2	160.3	0	0	0	114.1	Q41 A92 C93 T94 P98 F99 L100 P494	Q41-I96 VanDerWaalsContact O-CD1 3.25Å; Q41-I96 WeakPolarHBondContact O-CD1 3.48Å; A92-I96 HydrophobicContact CB-CD1 4.49Å; A92-I96 HydrophobicContact CB-CG1 4.26Å; C93-I96 HydrophobicContact CB-CG1 4.47Å; C93-I96 WeakPolarHBondContact O-CG1 3.33Å; C93-I96 PolarHBondContact O-N 3.4Å; T94-I96 VanDerWaalsContact C-N 3.28Å; T94-I96 PolarHBondContact O-N 2.9Å; I96-P98 VanDerWaalsContact C-CD 3.48Å; I96-P98 VanDerWaalsContact C-N 3.34Å; I96-F99 VanDerWaalsContact CA-CD2 3.48Å; I96-F99 HydrophobicContact CB-CD2 4.02Å; I96-F99 HydrophobicContact CG2-CD2 4.2Å; I96-F99 HydrophobicContact CG2-CE2 4.38Å; I96-F99 WeakPolarHBondContact O-CA 3.28Å; I96-F99 WeakPolarHBondContact O-CB 3.22Å; I96-F99 PolarHBondContact O-N 2.97Å; I96-L100 HydrophobicContact CB-CD1 4.41Å; I96-L100 HydrophobicContact CD1-CD1 3.64Å; I96-L100 HydrophobicContact CG1-CD1 3.88Å; I96-L100 WeakPolarHBondContact O-CG 3.43Å; I96-L100 PolarHBondContact O-N 3.47Å; I96-P494 HydrophobicContact CG2-CG 4.13Å
97	A	88.7	Confident	84.8	Confident	23 Å²	23	31.9 Å²	31.9	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-52.2	-44.6	-178.1	0	0	0	0	0	113.1	A92 C93 F99 L100 T101	A92-A97 HydrophobicContact CB-CB 4.09Å; C93-A97 WeakPolarHBondContact O-CB 3.34Å; C93-A97 PolarHBondContact O-N 2.91Å; A97-F99 PolarHBondContact O-N 3.28Å; A97-L100 PolarHBondContact O-N 3.03Å; A97-T101 PolarHBondContact O-N 3.47Å; A97-T101 PolarHBondContact O-OG1 3.19Å
98	P	85.5	Confident	84.8	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-24.6	175.4	-24.1	35.3	0	0	0	114.7	T94 I96 A151 L637 R639	T94-P98 WeakPolarHBondContact O-CD 3.43Å; I96-P98 VanDerWaalsContact C-CD 3.48Å; I96-P98 VanDerWaalsContact C-N 3.34Å; P98-A151 HydrophobicContact CG-CB 4.06Å; P98-L637 HydrophobicContact CB-CD2 3.5Å; P98-L637 VanDerWaalsContact CB-CD2 3.5Å; P98-L637 HydrophobicContact CG-CD2 4.49Å; P98-R639 PolarHBondContact O-NH2 2.83Å
99	F	81.5	Confident	84.7	Confident	45 Å²	45	21.9 Å²	21.9	20%	0.197	12%	0.116	C	C	.	.	H	α-helix	trans	-79.2	-24.5	175.8	-48.5	-48.6	0	0	0	112.5	C95 I96 A97 L493 P494 R636 L637 R639	C95-F99 WeakPolarHBondContact O-CE2 3.29Å; I96-F99 VanDerWaalsContact CA-CD2 3.48Å; I96-F99 HydrophobicContact CB-CD2 4.02Å; I96-F99 HydrophobicContact CG2-CD2 4.2Å; I96-F99 HydrophobicContact CG2-CE2 4.38Å; I96-F99 WeakPolarHBondContact O-CA 3.28Å; I96-F99 WeakPolarHBondContact O-CB 3.22Å; I96-F99 PolarHBondContact O-N 2.97Å; A97-F99 PolarHBondContact O-N 3.28Å; F99-L493 HydrophobicContact CZ-CD2 4.21Å; F99-P494 HydrophobicContact CE2-CG 4.17Å; F99-R636 WeakPolarHBondContact CD1-O 3.29Å; F99-R636 HydrophobicContact CE1-CB 3.56Å; F99-R636 VanDerWaalsContact CE1-O 3.31Å; F99-R636 WeakPolarHBondContact CE1-O 3.46Å; F99-R636 HydrophobicContact CZ-CB 3.78Å; F99-L637 HydrophobicContact CD1-CD2 3.58Å; F99-L637 HydrophobicContact CE1-CD2 3.31Å; F99-L637 HydrophobicContact CE1-CG 3.9Å; F99-L637 HydrophobicContact CZ-CD2 4.32Å; F99-R639 PolarHBondContact O-NH2 3.42Å
100	L	81.1	Confident	84.3	Confident	52 Å²	52	22 Å²	22	27%	0.272	12%	0.116	S	C	.	.	H	α-helix	trans	-90.5	-19.7	-175.4	-59.6	166.1	0	0	0	112.6	A92 I96 A97 K102 P173 V176	A92-L100 HydrophobicContact CB-CD1 3.66Å; I96-L100 HydrophobicContact CB-CD1 4.41Å; I96-L100 HydrophobicContact CD1-CD1 3.64Å; I96-L100 HydrophobicContact CG1-CD1 3.88Å; I96-L100 WeakPolarHBondContact O-CG 3.43Å; I96-L100 PolarHBondContact O-N 3.47Å; A97-L100 PolarHBondContact O-N 3.03Å; L100-K102 PolarHBondContact O-N 3.15Å; L100-P173 HydrophobicContact CB-CG 3.67Å; L100-P173 HydrophobicContact CD1-CB 4.2Å; L100-P173 HydrophobicContact CD1-CG 3.56Å; L100-P173 HydrophobicContact CD2-CB 4.4Å; L100-P173 HydrophobicContact CD2-CG 4.17Å; L100-P173 HydrophobicContact CG-CG 3.96Å; L100-V176 HydrophobicContact CD1-CG2 4.29Å; L100-V176 HydrophobicContact CD2-CG2 3.68Å
101	T	79.3	Confident	84	Confident	19 Å²	19	29.2 Å²	29.2	12%	0.117	15%	0.15	C	C	.	.			trans	-60	103.3	174.5	-56.1	0	0	0	0	109.8	A97 D103 P104 A152 D153 R639	A97-T101 PolarHBondContact O-N 3.47Å; A97-T101 PolarHBondContact O-OG1 3.19Å; T101-D103 WeakPolarHBondContact CG2-O 3.17Å; T101-P104 HydrophobicContact CG2-CB 4.44Å; T101-A152 WeakPolarHBondContact CG2-O 3.49Å; T101-D153 HydrophobicContact CG2-CB 4.06Å; T101-R639 PolarHBondContact O-NH1 3.32Å; T101-R639 PolarHBondContact O-NH2 2.97Å
102	K	72.5	Confident	83.8	Confident	124 Å²	124	31.9 Å²	31.9	54%	0.539	16%	0.163	S	C	.	.	S	Bend	trans	-65.3	-51.1	-179.1	-70.5	-175.2	175.7	-176	0	112.1	L100 E563 R639 Y641	L100-K102 PolarHBondContact O-N 3.15Å; K102-E563 IonicContact NZ-OE1 3.86Å; K102-E563 PolarHBondContact NZ-OE1 2.92Å; K102-R639 PolarHBondContact O-NH1 3.3Å; K102-Y641 PolarHBondContact O-OH 3.22Å; K102-Y641 VanDerWaalsContact O-OH 3.05Å
103	D	73.3	Confident	83.5	Confident	32 Å²	32	32 Å²	32	17%	0.171	17%	0.166	C	C	.	.	S	Bend	trans	-110.9	105.3	178.5	-175.4	25.8	0	0	0	109.9	T101 V105 L162 T163	T101-D103 WeakPolarHBondContact CG2-O 3.17Å; D103-V105 PolarHBondContact O-N 3.4Å; D103-L162 WeakPolarHBondContact OD1-CB 3.49Å; D103-T163 HydrophobicContact CB-CG2 4.45Å; D103-T163 WeakPolarHBondContact OD2-CB 3.36Å; D103-T163 VanDerWaalsContact OD2-CG2 3.31Å; D103-T163 WeakPolarHBondContact OD2-CG2 3.3Å; D103-T163 PolarHBondContact OD2-OG1 2.82Å
104	P	79.2	Confident	83	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.026	19%	0.192	C	C	.	.			trans	-74.6	126	-178.4	30.5	-33.7	0	0	0	111.6	T101 A152 L162 T603 L605 L609	T101-P104 HydrophobicContact CG2-CB 4.44Å; P104-A152 CarbonylContact C-O 3.55Å; P104-A152 WeakPolarHBondContact CA-O 3.35Å; P104-A152 HydrophobicContact CB-CB 4.09Å; P104-L162 HydrophobicContact CG-CD1 4.15Å; P104-T603 HydrophobicContact CG-CG2 4.36Å; P104-L605 HydrophobicContact CB-CD2 3.5Å; P104-L605 VanDerWaalsContact CB-CD2 3.5Å; P104-L605 HydrophobicContact CG-CD2 3.91Å; P104-L609 HydrophobicContact CB-CD1 3.92Å; P104-L609 HydrophobicContact CG-CD1 3.74Å; P104-L609 HydrophobicContact CG-CD2 4.49Å; P104-L609 WeakPolarHBondContact O-CD2 3.45Å
105	V	81.6	Confident	82.8	Confident	25 Å²	25	38.7 Å²	38.7	15%	0.152	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-122.2	121.1	173.8	-174.2	0	0	0	0	108.9	D103 A152 D153 C154 Q156	D103-V105 PolarHBondContact O-N 3.4Å; V105-A152 PolarHBondContact N-O 3.2Å; V105-A152 CarbonylContact O-C 3.51Å; V105-D153 PolarHBondContact O-N 3.47Å; V105-C154 HydrophobicContact CB-CB 4.19Å; V105-C154 HydrophobicContact CG1-CB 3.94Å; V105-C154 WeakPolarHBondContact O-CB 3.45Å; V105-C154 PolarHBondContact O-N 3.38Å; V105-Q156 HydrophobicContact CG2-CB 4.21Å; V105-Q156 HydrophobicContact CG2-CG 4.19Å
106	P	81.9	Confident	82.5	Confident	26 Å²	26	47 Å²	47	17%	0.169	23%	0.232	C	C	.	.			trans	-69.1	148.9	-178.9	30	-34.3	0	0	0	111.2	C154 V402 L609	P106-C154 VanDerWaalsContact O-CB 3.23Å; P106-C154 WeakPolarHBondContact O-CB 3.4Å; P106-V402 HydrophobicContact CG-CB 3.89Å; P106-V402 HydrophobicContact CG-CG2 3.41Å; P106-V402 VanDerWaalsContact CG-CG2 3.41Å; P106-L609 HydrophobicContact CB-CB 4.29Å; P106-L609 HydrophobicContact CG-CD2 4.41Å
107	H	85.9	Confident	82.3	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.037	26%	0.26	C	S	.	.			trans	-81.6	147.6	173.1	-67.6	-86	0	0	0	110.7	W109 C135 C138 Y140 A151 D153 C154	H107-W109 HydrophobicContact CB-CD2 4.34Å; H107-W109 HydrophobicContact CB-CH2 4.25Å; H107-W109 HydrophobicContact CB-CZ2 3.65Å; H107-C135 HydrophobicContact CB-CB 4.1Å; H107-C138 VanDerWaalsContact CE1-SG 3.55Å; H107-C138 PolarHBondContact ND1-SG 2.91Å; H107-Y140 AromaticContact CE1-CD2 3.7Å; H107-Y140 AromaticContact CE1-CG 3.83Å; H107-A151 PolarHBondContact CD2-O 3.36Å; H107-A151 PolarHBondContact NE2-O 2.96Å; H107-D153 IonicContact CE1-OD1 2.69Å; H107-D153 IonicContact NE2-OD1 2.63Å; H107-D153 PolarHBondContact NE2-OD1 3.47Å; H107-C154 PolarHBondContact ND1-SG 3.17Å; H107-C154 VanDerWaalsContact ND1-SG 3.41Å
108	C	83.8	Confident	82.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.258	C	S	.	.			trans	-100.8	105.3	173.3	-63.9	0	0	0	0	109.9	C135 E136 I137 E403 M408	C108-C135 CarbonylContact O-C 3.5Å; C108-C135 VanDerWaalsContact O-CA 3.27Å; C108-C135 WeakPolarHBondContact O-CA 3.46Å; C108-E136 PolarHBondContact O-N 3.28Å; C108-I137 HydrophobicContact CB-CD1 3.88Å; C108-I137 HydrophobicContact CB-CG1 4.13Å; C108-I137 WeakPolarHBondContact SG-CD1 3.49Å; C108-E403 HydrophobicContact CB-CG 4.47Å; C108-M408 HydrophobicContact CB-CE 3.59Å; C108-M408 HydrophobicContact CB-SD 3.6Å; C108-M408 VanDerWaalsContact CB-SD 3.6Å
109	W	85.7	Confident	82.9	Confident	38 Å²	38	55.5 Å²	55.5	14%	0.144	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-84.6	141.5	-170.9	-60.5	104.7	0	0	0	113.4	H107 L133 C135 Y140 L147 V150	H107-W109 HydrophobicContact CB-CD2 4.34Å; H107-W109 HydrophobicContact CB-CH2 4.25Å; H107-W109 HydrophobicContact CB-CZ2 3.65Å; W109-L133 HydrophobicContact CB-CD2 4.06Å; W109-L133 HydrophobicContact CD2-CB 4.45Å; W109-L133 HydrophobicContact CE3-CB 3.76Å; W109-L133 HydrophobicContact CG-CD2 4.47Å; W109-L133 HydrophobicContact CZ3-CB 4.37Å; W109-C135 HydrophobicContact CE3-CB 4.4Å; W109-C135 HydrophobicContact CZ3-CB 4.28Å; W109-Y140 AromaticContact CH2-CD1 3.85Å; W109-Y140 HydrophobicContact CH2-CD1 3.85Å; W109-Y140 HydrophobicContact CZ3-CD1 4.42Å; W109-Y140 WeakPolarHBondContact CZ3-O 3.48Å; W109-L147 HydrophobicContact CD2-CD1 3.83Å; W109-L147 HydrophobicContact CE3-CD1 4.3Å; W109-L147 HydrophobicContact CG-CD1 4.38Å; W109-L147 HydrophobicContact CH2-CD1 4Å; W109-L147 HydrophobicContact CZ2-CD1 3.48Å; W109-L147 VanDerWaalsContact CZ2-CD1 3.48Å; W109-L147 HydrophobicContact CZ3-CD1 4.38Å; W109-V150 HydrophobicContact CH2-CB 4.4Å; W109-V150 HydrophobicContact CH2-CG1 3.94Å; W109-V150 HydrophobicContact CH2-CG2 3.89Å; W109-V150 HydrophobicContact CZ2-CB 4.14Å; W109-V150 HydrophobicContact CZ2-CG1 3.78Å; W109-V150 HydrophobicContact CZ2-CG2 3.97Å
110	S	81.5	Confident	83.6	Confident	7 Å²	7	53.3 Å²	53.3	5%	0.049	25%	0.25	C	C	.	.			trans	-70.2	174.6	167.9	71.7	0	0	0	0	112.1	K134	S110-K134 WeakPolarHBondContact CB-O 3.22Å; S110-K134 PolarHBondContact N-O 3.44Å; S110-K134 WeakPolarHBondContact OG-CG 3.29Å; S110-K134 PolarHBondContact OG-N 2.94Å; S110-K134 PolarHBondContact OG-O 3.42Å
111	E	79.1	Confident	84.2	Confident	162 Å²	162	51.1 Å²	51.1	76%	0.757	24%	0.238	S	C	*	.			trans	-56.7	156.4	159.6	-64.4	-174.7	175	0	0	111.9
112	I	83.6	Confident	84.9	Confident	59 Å²	59	50.2 Å²	50.2	30%	0.303	23%	0.232	S	C	.	.	S	Bend	trans	-68.7	132.1	176.5	-60.5	173.9	0	0	0	109.1	L131 L133 Y144 L416	I112-L131 HydrophobicContact CG2-CB 3.78Å; I112-L131 HydrophobicContact CG2-CD1 4.3Å; I112-L131 HydrophobicContact CG2-CD2 3.95Å; I112-L131 HydrophobicContact CG2-CG 4.22Å; I112-L133 HydrophobicContact CG1-CD1 4.38Å; I112-L133 HydrophobicContact CG1-CD2 4.17Å; I112-L133 HydrophobicContact CG1-CG 4.15Å; I112-Y144 HydrophobicContact CD1-CD2 3.99Å; I112-Y144 HydrophobicContact CD1-CE2 4.26Å; I112-L416 HydrophobicContact CD1-CD1 3.43Å; I112-L416 VanDerWaalsContact CD1-CD1 3.43Å
113	G	83.7	Confident	85.9	Confident	20 Å²	20	45 Å²	45	21%	0.206	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-160	-176.2	179.2	0	0	0	0	0	113.9	A132	G113-A132 PolarHBondContact N-O 3.2Å; G113-A132 PolarHBondContact O-N 3.01Å; G113-A132 VanDerWaalsContact O-O 3.11Å
114	H	83.1	Confident	86.8	Confident	118 Å²	118	43.9 Å²	43.9	55%	0.546	21%	0.205	S	C	.	.			trans	-103.2	126.6	174.8	-68.1	-87	0	0	0	110.1
115	F	86.5	Confident	87.4	Confident	32 Å²	32	47.4 Å²	47.4	14%	0.14	22%	0.219	C	C	.	.			trans	-119.2	104.3	-178.5	-57.7	-78.1	0	0	0	110.5	K118 V127 A132 K134 Y141	F115-K118 HydrophobicContact CB-CB 4.26Å; F115-K118 HydrophobicContact CB-CG 4.23Å; F115-V127 HydrophobicContact CB-CG2 3.83Å; F115-V127 VanDerWaalsContact O-CG2 3.28Å; F115-V127 WeakPolarHBondContact O-CG2 3.45Å; F115-A132 HydrophobicContact CD2-CB 3.92Å; F115-A132 HydrophobicContact CE2-CB 4.35Å; F115-A132 WeakPolarHBondContact CE2-O 2.83Å; F115-K134 HydrophobicContact CD1-CD 4.28Å; F115-K134 HydrophobicContact CE1-CB 4.4Å; F115-K134 HydrophobicContact CE1-CD 3.53Å; F115-K134 HydrophobicContact CE1-CG 3.9Å; F115-K134 HydrophobicContact CE2-CB 4.43Å; F115-K134 HydrophobicContact CE2-CG 4.47Å; F115-K134 HydrophobicContact CZ-CB 4.14Å; F115-K134 HydrophobicContact CZ-CD 3.91Å; F115-K134 HydrophobicContact CZ-CG 3.72Å; F115-Y141 HydrophobicContact CB-CD1 4.07Å; F115-Y141 HydrophobicContact CB-CE1 3.8Å; F115-Y141 AromaticContact CD1-CE1 3.81Å; F115-Y141 HydrophobicContact CD1-CE1 3.81Å; F115-Y141 HydrophobicContact CD2-CD1 4.06Å; F115-Y141 HydrophobicContact CD2-CE1 4.12Å; F115-Y141 HydrophobicContact CE1-CE1 4.44Å; F115-Y141 AromaticContact CG-CD1 3.98Å; F115-Y141 HydrophobicContact CG-CD1 3.98Å; F115-Y141 AromaticContact CG-CE1 3.63Å; F115-Y141 HydrophobicContact CG-CE1 3.63Å
116	K	85	Confident	87.9	Confident	174 Å²	174	50.7 Å²	50.7	76%	0.757	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	143.2	-178.2	-63.5	-174.1	178.4	-175.3	0	112.2	K118	K116-K118 PolarHBondContact O-N 3.14Å
117	R	85.9	Confident	88.3	Confident	175 Å²	175	49.4 Å²	49.4	66%	0.66	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	36.7	177.2	-56.5	178.9	175.2	175.6	-3.5	112.9	D128	R117-D128 VanDerWaalsContact N-CG 3.25Å; R117-D128 PolarHBondContact N-OD1 2.92Å; R117-D128 PolarHBondContact N-OD2 2.84Å
118	K	92.2	Very high	88.3	Confident	35 Å²	35	50.7 Å²	50.7	15%	0.152	23%	0.228	C	C	.	.			trans	-123.7	154.9	176.5	-66	-63.5	-177.2	179.9	0	109.9	F115 K116 R126 V127 D128 Y141 N334	F115-K118 HydrophobicContact CB-CB 4.26Å; F115-K118 HydrophobicContact CB-CG 4.23Å; K116-K118 PolarHBondContact O-N 3.14Å; K118-R126 WeakPolarHBondContact O-CA 3.49Å; K118-V127 HydrophobicContact CB-CG2 3.65Å; K118-V127 PolarHBondContact O-N 2.79Å; K118-D128 PolarHBondContact N-OD1 2.9Å; K118-Y141 HydrophobicContact CB-CD1 4.08Å; K118-Y141 HydrophobicContact CB-CE1 4.19Å; K118-Y141 HydrophobicContact CB-CG 4.3Å; K118-Y141 HydrophobicContact CD-CD2 4.46Å; K118-Y141 HydrophobicContact CD-CE1 4.4Å; K118-Y141 HydrophobicContact CD-CE2 3.96Å; K118-Y141 HydrophobicContact CG-CD1 4.28Å; K118-Y141 HydrophobicContact CG-CE1 3.87Å; K118-Y141 HydrophobicContact CG-CE2 4.3Å; K118-N334 HydrophobicContact CD-CB 4.27Å; K118-N334 PolarHBondContact NZ-O 2.89Å
119	F	94.4	Very high	88.1	Confident	10 Å²	10	57 Å²	57	4%	0.044	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-117	140.8	-179.9	-63.6	-89.6	0	0	0	109.9	N121 R124 K125 R126 Y141 N334 A351 E352 L354	F119-N121 PolarHBondContact O-N 2.85Å; F119-R124 WeakPolarHBondContact CD1-O 3.43Å; F119-K125 CarbonylContact C-O 3.43Å; F119-K125 WeakPolarHBondContact CA-O 3.43Å; F119-R126 HydrophobicContact CD1-CG 3.92Å; F119-R126 HydrophobicContact CE1-CG 3.5Å; F119-R126 HydrophobicContact CZ-CG 4.07Å; F119-Y141 WeakPolarHBondContact O-CB 3.43Å; F119-N334 PolarHBondContact N-OD1 3.19Å; F119-N334 PolarHBondContact O-ND2 2.91Å; F119-A351 WeakPolarHBondContact CZ-O 3.49Å; F119-E352 WeakPolarHBondContact CZ-O 3.48Å; F119-L354 HydrophobicContact CB-CB 3.95Å; F119-L354 HydrophobicContact CB-CD1 3.81Å; F119-L354 HydrophobicContact CB-CG 4.41Å; F119-L354 HydrophobicContact CG-CB 4.25Å
120	C	95.4	Very high	88	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.277	C	S	.	.			trans	-66.7	125.7	170.5	175.3	0	0	0	0	108.9	V122 R124 K125 V127 Y141 H143	C120-V122 PolarHBondContact O-N 3.48Å; C120-V122 VanDerWaalsContact SG-CB 3.58Å; C120-V122 PolarHBondContact SG-N 3.42Å; C120-V122 VanDerWaalsContact SG-N 3.37Å; C120-R124 WeakPolarHBondContact O-CA 3.2Å; C120-R124 PolarHBondContact O-N 3.46Å; C120-K125 PolarHBondContact N-O 2.82Å; C120-V127 HydrophobicContact CB-CG1 3.74Å; C120-Y141 CarbonylContact C-O 3.59Å; C120-Y141 WeakPolarHBondContact CA-O 3.38Å; C120-H143 WeakPolarHBondContact CB-CE1 3.31Å; C120-H143 WeakPolarHBondContact CB-ND1 3.36Å
121	N	94.9	Very high	88.3	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.027	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13	178.5	-77.3	91.6	0	0	0	113.1	F119 Y140 Y141 E332 N334	F119-N121 PolarHBondContact O-N 2.85Å; N121-Y140 HydrophobicContact CB-CD1 3.78Å; N121-Y140 HydrophobicContact CB-CD2 4.06Å; N121-Y140 HydrophobicContact CB-CE1 3.34Å; N121-Y140 HydrophobicContact CB-CE2 3.65Å; N121-Y140 HydrophobicContact CB-CG 4.12Å; N121-Y141 PolarHBondContact N-O 2.9Å; N121-Y141 PolarHBondContact OD1-N 2.96Å; N121-E332 PolarHBondContact ND2-O 2.88Å; N121-N334 PolarHBondContact OD1-ND2 2.84Å; N121-N334 VanDerWaalsContact OD1-ND2 3.09Å
122	V	93.4	Very high	88.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-63.4	178.3	-178.9	0	0	0	0	111.2	T94 C120 Y140 C146 F149 V150 Q492	T94-V122 WeakPolarHBondContact CG2-O 3.38Å; C120-V122 PolarHBondContact O-N 3.48Å; C120-V122 VanDerWaalsContact SG-CB 3.58Å; C120-V122 PolarHBondContact SG-N 3.42Å; C120-V122 VanDerWaalsContact SG-N 3.37Å; V122-Y140 HydrophobicContact CG2-CE1 4.05Å; V122-C146 HydrophobicContact CB-CB 3.91Å; V122-C146 HydrophobicContact CG1-CB 4.03Å; V122-C146 HydrophobicContact CG2-CB 4.21Å; V122-F149 HydrophobicContact CG1-CB 3.82Å; V122-V150 HydrophobicContact CG2-CB 4.5Å; V122-V150 HydrophobicContact CG2-CG2 3.69Å; V122-Q492 VanDerWaalsContact CG1-OE1 3.25Å
123	C	93.3	Very high	89.3	Confident	14 Å²	14	51.2 Å²	51.2	10%	0.095	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-4	-174.3	81.2	0	0	0	0	114.3	C77 N78 K125 H143	C77-C123 CarbonylContact O-C 3.49Å; C77-C123 VanDerWaalsContact O-O 3.1Å; N78-C123 PolarHBondContact ND2-O 3.43Å; C123-K125 PolarHBondContact O-N 2.89Å; C123-H143 PolarHBondContact SG-CE1 2.86Å; C123-H143 PolarHBondContact SG-ND1 3Å
124	R	93.3	Very high	89.6	Confident	10 Å²	10	51.9 Å²	51.9	4%	0.038	24%	0.236	C	C	.	.			trans	62.7	7.7	179	-55.5	178.6	174.9	-92.2	-10.2	116.3	C77 F119 C120 E332 L354	C77-R124 VanDerWaalsContact O-CD 3.22Å; C77-R124 WeakPolarHBondContact O-CD 3.36Å; C77-R124 VanDerWaalsContact O-CG 3.27Å; C77-R124 WeakPolarHBondContact O-CG 3.36Å; F119-R124 WeakPolarHBondContact CD1-O 3.43Å; C120-R124 WeakPolarHBondContact O-CA 3.2Å; C120-R124 PolarHBondContact O-N 3.46Å; R124-E332 IonicContact CZ-OE1 3.75Å; R124-E332 IonicContact CZ-OE2 3.63Å; R124-E332 IonicContact NH1-OE1 3.43Å; R124-E332 PolarHBondContact NH1-OE1 2.82Å; R124-E332 IonicContact NH1-OE2 3.78Å; R124-E332 IonicContact NH2-OE1 3.55Å; R124-E332 PolarHBondContact NH2-OE1 2.93Å; R124-E332 IonicContact NH2-OE2 2.82Å; R124-E332 PolarHBondContact NH2-OE2 3.13Å; R124-L354 HydrophobicContact CG-CD2 4.03Å
125	K	91.7	Very high	89.9	Confident	77 Å²	77	46.3 Å²	46.3	34%	0.335	21%	0.21	S	C	.	.	S	Bend	trans	-85.2	161.7	173.5	-60.5	-175.5	-178.2	-176.7	0	110.9	F119 C120 C123 G430	F119-K125 CarbonylContact C-O 3.43Å; F119-K125 WeakPolarHBondContact CA-O 3.43Å; C120-K125 PolarHBondContact N-O 2.82Å; C123-K125 PolarHBondContact O-N 2.89Å; K125-G430 PolarHBondContact NZ-O 2.81Å
126	R	92.5	Very high	89.8	Confident	94 Å²	94	46.6 Å²	46.6	36%	0.355	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-63.5	147.1	175	-67.4	-176	179.3	-133.2	4.9	111	K118 F119 H143 A351 E352	K118-R126 WeakPolarHBondContact O-CA 3.49Å; F119-R126 HydrophobicContact CD1-CG 3.92Å; F119-R126 HydrophobicContact CE1-CG 3.5Å; F119-R126 HydrophobicContact CZ-CG 4.07Å; R126-H143 PolarHBondContact O-CE1 3.11Å; R126-H143 PolarHBondContact O-NE2 2.93Å; R126-A351 PolarHBondContact NH2-O 3.45Å; R126-E352 IonicContact NH2-OE1 3.4Å; R126-E352 IonicContact NH2-OE2 3.62Å; R126-E352 PolarHBondContact NH2-OE2 2.82Å
127	V	90.4	Very high	89.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.176	C	C	.	.			trans	-103.9	9.9	176.3	-55.2	0	0	0	0	112.4	F115 K118 C120 D129 L130 A132	F115-V127 HydrophobicContact CB-CG2 3.83Å; F115-V127 VanDerWaalsContact O-CG2 3.28Å; F115-V127 WeakPolarHBondContact O-CG2 3.45Å; K118-V127 HydrophobicContact CB-CG2 3.65Å; K118-V127 PolarHBondContact O-N 2.79Å; C120-V127 HydrophobicContact CB-CG1 3.74Å; V127-D129 PolarHBondContact O-N 3.45Å; V127-L130 VanDerWaalsContact O-O 3.09Å; V127-A132 HydrophobicContact CB-CB 3.76Å; V127-A132 HydrophobicContact CG1-CB 4.14Å; V127-A132 HydrophobicContact CG2-CB 4.28Å
128	D	84.7	Confident	90	Very high	34 Å²	34	30.1 Å²	30.1	18%	0.182	15%	0.145	C	C	.	.	S	Bend	trans	-62.3	-43	-172.9	-65.2	21	0	0	0	112.1	R117 K118	R117-D128 VanDerWaalsContact N-CG 3.25Å; R117-D128 PolarHBondContact N-OD1 2.92Å; R117-D128 PolarHBondContact N-OD2 2.84Å; K118-D128 PolarHBondContact N-OD1 2.9Å
129	D	79.3	Confident	89.7	Confident	134 Å²	134	30 Å²	30	72%	0.717	15%	0.145	S	C	*	.	S	Bend	trans	-97.4	-16.8	-170.7	-53.7	-48.3	0	0	0	113.8	V127	V127-D129 PolarHBondContact O-N 3.45Å
130	L	84.2	Confident	89.6	Confident	87 Å²	87	30.2 Å²	30.2	46%	0.455	15%	0.145	S	C	.	.	S	Bend	trans	-109.7	155.5	-176.1	-64.7	178	0	0	0	111.5	V127 A132	V127-L130 VanDerWaalsContact O-O 3.09Å; L130-A132 PolarHBondContact O-N 3.26Å
131	L	88.3	Confident	89.6	Confident	51 Å²	51	30.6 Å²	30.6	27%	0.267	15%	0.147	S	C	.	.			trans	-63.7	130	172.2	-65.2	177.5	0	0	0	110.1	I112 Y144 V419 L422	I112-L131 HydrophobicContact CG2-CB 3.78Å; I112-L131 HydrophobicContact CG2-CD1 4.3Å; I112-L131 HydrophobicContact CG2-CD2 3.95Å; I112-L131 HydrophobicContact CG2-CG 4.22Å; L131-Y144 PolarHBondContact O-N 3.05Å; L131-V419 HydrophobicContact CD1-CG2 4.25Å; L131-L422 HydrophobicContact CD1-CD1 4.05Å
132	A	91.5	Very high	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168	-176.9	0	0	0	0	0	111.5	G113 F115 V127 L130 S142	G113-A132 PolarHBondContact N-O 3.2Å; G113-A132 PolarHBondContact O-N 3.01Å; G113-A132 VanDerWaalsContact O-O 3.11Å; F115-A132 HydrophobicContact CD2-CB 3.92Å; F115-A132 HydrophobicContact CE2-CB 4.35Å; F115-A132 WeakPolarHBondContact CE2-O 2.83Å; V127-A132 HydrophobicContact CB-CB 3.76Å; V127-A132 HydrophobicContact CG1-CB 4.14Å; V127-A132 HydrophobicContact CG2-CB 4.28Å; L130-A132 PolarHBondContact O-N 3.26Å; A132-S142 CarbonylContact C-O 3.51Å; A132-S142 VanDerWaalsContact CA-O 3.24Å; A132-S142 WeakPolarHBondContact CA-O 3.29Å; A132-S142 VanDerWaalsContact CB-O 3.29Å; A132-S142 WeakPolarHBondContact CB-O 3.23Å
133	L	91.2	Very high	89.5	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.5	176.3	-58.6	90.7	0	0	0	108.3	W109 I112 Y141 S142 Y144 L147	W109-L133 HydrophobicContact CB-CD2 4.06Å; W109-L133 HydrophobicContact CD2-CB 4.45Å; W109-L133 HydrophobicContact CE3-CB 3.76Å; W109-L133 HydrophobicContact CG-CD2 4.47Å; W109-L133 HydrophobicContact CZ3-CB 4.37Å; I112-L133 HydrophobicContact CG1-CD1 4.38Å; I112-L133 HydrophobicContact CG1-CD2 4.17Å; I112-L133 HydrophobicContact CG1-CG 4.15Å; L133-Y141 WeakPolarHBondContact O-CA 3.47Å; L133-S142 PolarHBondContact N-O 3.1Å; L133-S142 PolarHBondContact O-N 3.06Å; L133-Y144 HydrophobicContact CD1-CD2 3.94Å; L133-Y144 HydrophobicContact CD1-CG 4.47Å; L133-L147 HydrophobicContact CD1-CD2 4.5Å; L133-L147 HydrophobicContact CD2-CD2 4.45Å
134	K	90.5	Very high	89.2	Confident	34 Å²	34	33.5 Å²	33.5	15%	0.148	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.8	169	66.1	177.4	178.3	-170.6	0	109.3	S110 F115 E136 Y140 Y141	S110-K134 WeakPolarHBondContact CB-O 3.22Å; S110-K134 PolarHBondContact N-O 3.44Å; S110-K134 WeakPolarHBondContact OG-CG 3.29Å; S110-K134 PolarHBondContact OG-N 2.94Å; S110-K134 PolarHBondContact OG-O 3.42Å; F115-K134 HydrophobicContact CD1-CD 4.28Å; F115-K134 HydrophobicContact CE1-CB 4.4Å; F115-K134 HydrophobicContact CE1-CD 3.53Å; F115-K134 HydrophobicContact CE1-CG 3.9Å; F115-K134 HydrophobicContact CE2-CB 4.43Å; F115-K134 HydrophobicContact CE2-CG 4.47Å; F115-K134 HydrophobicContact CZ-CB 4.14Å; F115-K134 HydrophobicContact CZ-CD 3.91Å; F115-K134 HydrophobicContact CZ-CG 3.72Å; K134-E136 PolarHBondContact O-N 3.43Å; K134-Y140 CarbonylContact C-O 3.59Å; K134-Y140 WeakPolarHBondContact CA-O 3.4Å; K134-Y141 HydrophobicContact CB-CD1 3.79Å; K134-Y141 HydrophobicContact CB-CE1 3.56Å; K134-Y141 HydrophobicContact CB-CG 4.37Å; K134-Y141 HydrophobicContact CD-CE1 4.36Å; K134-Y141 HydrophobicContact CG-CE1 4.48Å
135	C	89.2	Confident	88.7	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-70.7	125.5	165.4	179.4	0	0	0	0	108.8	H107 C108 W109 I137 E139 Y140	H107-C135 HydrophobicContact CB-CB 4.1Å; C108-C135 CarbonylContact O-C 3.5Å; C108-C135 VanDerWaalsContact O-CA 3.27Å; C108-C135 WeakPolarHBondContact O-CA 3.46Å; W109-C135 HydrophobicContact CE3-CB 4.4Å; W109-C135 HydrophobicContact CZ3-CB 4.28Å; C135-I137 PolarHBondContact O-N 3.32Å; C135-E139 WeakPolarHBondContact O-CA 3.49Å; C135-E139 PolarHBondContact O-N 2.83Å; C135-Y140 PolarHBondContact N-O 2.98Å
136	E	84.2	Confident	88.7	Confident	38 Å²	38	31.6 Å²	31.6	18%	0.178	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.5	-178.5	-61.4	-162.2	153.6	0	0	112.9	C108 K134 M408 T761 K765	C108-E136 PolarHBondContact O-N 3.28Å; K134-E136 PolarHBondContact O-N 3.43Å; E136-M408 HydrophobicContact CB-CE 4.03Å; E136-M408 HydrophobicContact CG-CE 4.17Å; E136-M408 WeakPolarHBondContact OE2-CE 3.31Å; E136-T761 HydrophobicContact CB-CG2 4.13Å; E136-T761 HydrophobicContact CG-CG2 4.44Å; E136-K765 WeakPolarHBondContact O-CE 3.39Å; E136-K765 VanDerWaalsContact O-CG 3.3Å; E136-K765 WeakPolarHBondContact O-CG 3.26Å
137	I	86	Confident	88.4	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-52.2	179.5	-60.7	177.4	0	0	0	111.7	C108 C135 K155 I406 P769	C108-I137 HydrophobicContact CB-CD1 3.88Å; C108-I137 HydrophobicContact CB-CG1 4.13Å; C108-I137 WeakPolarHBondContact SG-CD1 3.49Å; C135-I137 PolarHBondContact O-N 3.32Å; I137-K155 HydrophobicContact CG2-CB 3.82Å; I137-K155 HydrophobicContact CG2-CD 4.01Å; I137-K155 HydrophobicContact CG2-CG 4.49Å; I137-I406 HydrophobicContact CD1-CD1 3.91Å; I137-P769 HydrophobicContact CD1-CG 4.14Å; I137-P769 HydrophobicContact CG1-CG 4.24Å; I137-P769 HydrophobicContact CG2-CG 3.97Å
138	C	89	Confident	88.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	6.6	-170.3	73	0	0	0	0	115	H107 Y140 K155 E360	H107-C138 VanDerWaalsContact CE1-SG 3.55Å; H107-C138 PolarHBondContact ND1-SG 2.91Å; C138-Y140 PolarHBondContact O-N 3.49Å; C138-K155 HydrophobicContact CB-CB 4.39Å; C138-E360 WeakPolarHBondContact CA-OE2 3.19Å; C138-E360 HydrophobicContact CB-CG 4.28Å
139	E	87.1	Confident	88.4	Confident	32 Å²	32	30.2 Å²	30.2	15%	0.15	15%	0.149	C	C	.	.			trans	54.9	32.6	-178.4	-56	-160.6	133	0	0	114.8	C135 Y141 R358 K765	C135-E139 WeakPolarHBondContact O-CA 3.49Å; C135-E139 PolarHBondContact O-N 2.83Å; E139-Y141 HydrophobicContact CB-CE2 4.13Å; E139-Y141 WeakPolarHBondContact O-CD2 3.48Å; E139-Y141 WeakPolarHBondContact O-CE2 3.24Å; E139-Y141 PolarHBondContact O-N 3.13Å; E139-R358 IonicContact OE2-NH2 3.68Å; E139-K765 HydrophobicContact CG-CD 3.87Å; E139-K765 HydrophobicContact CG-CG 4.42Å; E139-K765 WeakPolarHBondContact OE1-CE 3.05Å; E139-K765 IonicContact OE1-NZ 3.33Å; E139-K765 PolarHBondContact OE1-NZ 3.47Å
140	Y	92.3	Very high	88.9	Confident	14 Å²	14	24.6 Å²	24.6	6%	0.055	12%	0.12	C	C	.	.			trans	-70.2	123.6	167.7	-162	-74.3	0	0	0	109.4	H107 W109 N121 V122 K134 C135 C138 V150	H107-Y140 AromaticContact CE1-CD2 3.7Å; H107-Y140 AromaticContact CE1-CG 3.83Å; W109-Y140 AromaticContact CH2-CD1 3.85Å; W109-Y140 HydrophobicContact CH2-CD1 3.85Å; W109-Y140 HydrophobicContact CZ3-CD1 4.42Å; W109-Y140 WeakPolarHBondContact CZ3-O 3.48Å; N121-Y140 HydrophobicContact CB-CD1 3.78Å; N121-Y140 HydrophobicContact CB-CD2 4.06Å; N121-Y140 HydrophobicContact CB-CE1 3.34Å; N121-Y140 HydrophobicContact CB-CE2 3.65Å; N121-Y140 HydrophobicContact CB-CG 4.12Å; V122-Y140 HydrophobicContact CG2-CE1 4.05Å; K134-Y140 CarbonylContact C-O 3.59Å; K134-Y140 WeakPolarHBondContact CA-O 3.4Å; C135-Y140 PolarHBondContact N-O 2.98Å; C138-Y140 PolarHBondContact O-N 3.49Å; Y140-V150 HydrophobicContact CD1-CG1 4Å; Y140-V150 HydrophobicContact CD1-CG2 4.47Å; Y140-V150 HydrophobicContact CE1-CB 4.24Å; Y140-V150 HydrophobicContact CE1-CG1 3.56Å; Y140-V150 HydrophobicContact CE1-CG2 3.82Å; Y140-V150 HydrophobicContact CE2-CG1 4.46Å
141	Y	94.1	Very high	89.2	Confident	9 Å²	9	20.7 Å²	20.7	4%	0.035	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.1	178.3	-70.4	-98.8	0	0	0	110.3	F115 K118 F119 C120 N121 L133 K134 E139 N334	F115-Y141 HydrophobicContact CB-CD1 4.07Å; F115-Y141 HydrophobicContact CB-CE1 3.8Å; F115-Y141 AromaticContact CD1-CE1 3.81Å; F115-Y141 HydrophobicContact CD1-CE1 3.81Å; F115-Y141 HydrophobicContact CD2-CD1 4.06Å; F115-Y141 HydrophobicContact CD2-CE1 4.12Å; F115-Y141 HydrophobicContact CE1-CE1 4.44Å; F115-Y141 AromaticContact CG-CD1 3.98Å; F115-Y141 HydrophobicContact CG-CD1 3.98Å; F115-Y141 AromaticContact CG-CE1 3.63Å; F115-Y141 HydrophobicContact CG-CE1 3.63Å; K118-Y141 HydrophobicContact CB-CD1 4.08Å; K118-Y141 HydrophobicContact CB-CE1 4.19Å; K118-Y141 HydrophobicContact CB-CG 4.3Å; K118-Y141 HydrophobicContact CD-CD2 4.46Å; K118-Y141 HydrophobicContact CD-CE1 4.4Å; K118-Y141 HydrophobicContact CD-CE2 3.96Å; K118-Y141 HydrophobicContact CG-CD1 4.28Å; K118-Y141 HydrophobicContact CG-CE1 3.87Å; K118-Y141 HydrophobicContact CG-CE2 4.3Å; F119-Y141 WeakPolarHBondContact O-CB 3.43Å; C120-Y141 CarbonylContact C-O 3.59Å; C120-Y141 WeakPolarHBondContact CA-O 3.38Å; N121-Y141 PolarHBondContact N-O 2.9Å; N121-Y141 PolarHBondContact OD1-N 2.96Å; L133-Y141 WeakPolarHBondContact O-CA 3.47Å; K134-Y141 HydrophobicContact CB-CD1 3.79Å; K134-Y141 HydrophobicContact CB-CE1 3.56Å; K134-Y141 HydrophobicContact CB-CG 4.37Å; K134-Y141 HydrophobicContact CD-CE1 4.36Å; K134-Y141 HydrophobicContact CG-CE1 4.48Å; E139-Y141 HydrophobicContact CB-CE2 4.13Å; E139-Y141 WeakPolarHBondContact O-CD2 3.48Å; E139-Y141 WeakPolarHBondContact O-CE2 3.24Å; E139-Y141 PolarHBondContact O-N 3.13Å; Y141-N334 HydrophobicContact CD2-CB 4.32Å; Y141-N334 HydrophobicContact CE2-CB 4.43Å
142	S	93.3	Very high	89.1	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.3	173.5	-163.8	0	0	0	0	110.2	A132 L133 C146 L147 V150	A132-S142 CarbonylContact C-O 3.51Å; A132-S142 VanDerWaalsContact CA-O 3.24Å; A132-S142 WeakPolarHBondContact CA-O 3.29Å; A132-S142 VanDerWaalsContact CB-O 3.29Å; A132-S142 WeakPolarHBondContact CB-O 3.23Å; L133-S142 PolarHBondContact N-O 3.1Å; L133-S142 PolarHBondContact O-N 3.06Å; S142-C146 VanDerWaalsContact OG-C 3.26Å; S142-C146 WeakPolarHBondContact OG-CB 3.41Å; S142-L147 PolarHBondContact OG-N 2.93Å; S142-V150 WeakPolarHBondContact OG-CG2 3.44Å
143	H	92.8	Very high	88.9	Confident	11 Å²	11	20.6 Å²	20.6	5%	0.051	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	149.2	157.9	-62.2	110.2	0	0	0	108.6	C120 C123 R126 E145 C146 L147	C120-H143 WeakPolarHBondContact CB-CE1 3.31Å; C120-H143 WeakPolarHBondContact CB-ND1 3.36Å; C123-H143 PolarHBondContact SG-CE1 2.86Å; C123-H143 PolarHBondContact SG-ND1 3Å; R126-H143 PolarHBondContact O-CE1 3.11Å; R126-H143 PolarHBondContact O-NE2 2.93Å; H143-E145 PolarHBondContact O-N 2.93Å; H143-C146 HydrophobicContact CB-CB 3.96Å; H143-C146 PolarHBondContact O-N 3.24Å; H143-L147 PolarHBondContact O-N 3.42Å
144	Y	87.4	Confident	88.8	Confident	69 Å²	69	20.3 Å²	20.3	27%	0.271	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-53.2	-42.1	175.2	175	-103.7	0	0	0	111.5	I112 L131 L133 C146 L147 L416 V419	I112-Y144 HydrophobicContact CD1-CD2 3.99Å; I112-Y144 HydrophobicContact CD1-CE2 4.26Å; L131-Y144 PolarHBondContact O-N 3.05Å; L133-Y144 HydrophobicContact CD1-CD2 3.94Å; L133-Y144 HydrophobicContact CD1-CG 4.47Å; Y144-C146 VanDerWaalsContact C-N 3.31Å; Y144-C146 PolarHBondContact O-N 3.17Å; Y144-L147 WeakPolarHBondContact O-CB 3.49Å; Y144-L147 PolarHBondContact O-N 3.34Å; Y144-L416 HydrophobicContact CE2-CD1 4.32Å; Y144-L416 HydrophobicContact CE2-CD2 3.64Å; Y144-L416 HydrophobicContact CE2-CG 4.49Å; Y144-L416 VanDerWaalsContact CZ-CD2 3.46Å; Y144-L416 WeakPolarHBondContact OH-CD2 3.49Å; Y144-V419 HydrophobicContact CD1-CG1 3.7Å; Y144-V419 HydrophobicContact CE1-CB 4.49Å; Y144-V419 HydrophobicContact CE1-CG1 3.59Å
145	E	83.4	Confident	88.6	Confident	42 Å²	42	18.8 Å²	18.8	20%	0.196	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-71.6	-20.3	176.7	-62.7	174.4	-160.4	0	0	114.9	H143 F426 R470	H143-E145 PolarHBondContact O-N 2.93Å; E145-F426 VanDerWaalsContact OE2-CD2 3.3Å; E145-F426 WeakPolarHBondContact OE2-CD2 3.35Å; E145-R470 IonicContact OE2-NH1 2.61Å
146	C	90.7	Very high	88.3	Confident	4 Å²	4	20.5 Å²	20.5	3%	0.027	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-87.8	-9.2	177.8	-74.1	0	0	0	0	112.3	V122 S142 H143 Y144 D148 F149	V122-C146 HydrophobicContact CB-CB 3.91Å; V122-C146 HydrophobicContact CG1-CB 4.03Å; V122-C146 HydrophobicContact CG2-CB 4.21Å; S142-C146 VanDerWaalsContact OG-C 3.26Å; S142-C146 WeakPolarHBondContact OG-CB 3.41Å; H143-C146 HydrophobicContact CB-CB 3.96Å; H143-C146 PolarHBondContact O-N 3.24Å; Y144-C146 VanDerWaalsContact C-N 3.31Å; Y144-C146 PolarHBondContact O-N 3.17Å; C146-D148 VanDerWaalsContact C-N 3.31Å; C146-D148 PolarHBondContact O-N 3.01Å; C146-F149 PolarHBondContact O-N 3.46Å
147	L	88.1	Confident	88.3	Confident	45 Å²	45	19.2 Å²	19.2	24%	0.236	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-57	-40.5	-171.6	-172.9	63.2	0	0	0	113	W109 L133 S142 H143 Y144 F149 V150	W109-L147 HydrophobicContact CD2-CD1 3.83Å; W109-L147 HydrophobicContact CE3-CD1 4.3Å; W109-L147 HydrophobicContact CG-CD1 4.38Å; W109-L147 HydrophobicContact CH2-CD1 4Å; W109-L147 HydrophobicContact CZ2-CD1 3.48Å; W109-L147 VanDerWaalsContact CZ2-CD1 3.48Å; W109-L147 HydrophobicContact CZ3-CD1 4.38Å; L133-L147 HydrophobicContact CD1-CD2 4.5Å; L133-L147 HydrophobicContact CD2-CD2 4.45Å; S142-L147 PolarHBondContact OG-N 2.93Å; H143-L147 PolarHBondContact O-N 3.42Å; Y144-L147 WeakPolarHBondContact O-CB 3.49Å; Y144-L147 PolarHBondContact O-N 3.34Å; L147-F149 PolarHBondContact O-N 3.34Å; L147-F149 VanDerWaalsContact O-N 3.08Å; L147-V150 HydrophobicContact CD1-CG2 4.42Å; L147-V150 WeakPolarHBondContact O-CG2 3.41Å; L147-V150 PolarHBondContact O-N 3.28Å
148	D	85.1	Confident	88.1	Confident	52 Å²	52	19.5 Å²	19.5	28%	0.278	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-60.9	-17.1	177	-69.6	-7.4	0	0	0	113.8	C146 R463 D606 R633	C146-D148 VanDerWaalsContact C-N 3.31Å; C146-D148 PolarHBondContact O-N 3.01Å; D148-R463 IonicContact OD2-CZ 3.53Å; D148-R463 IonicContact OD2-NH1 3.9Å; D148-R463 PolarHBondContact OD2-NH1 3.1Å; D148-R463 IonicContact OD2-NH2 3.63Å; D148-R463 PolarHBondContact OD2-NH2 3.33Å; D148-D606 VanDerWaalsContact O-O 3.13Å; D148-R633 PolarHBondContact O-NH2 2.79Å
149	F	89.4	Confident	87.3	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-109.1	5.1	-175.1	-47.6	-65.7	0	0	0	113.5	V122 C146 L147 F491 Q492	V122-F149 HydrophobicContact CG1-CB 3.82Å; C146-F149 PolarHBondContact O-N 3.46Å; L147-F149 PolarHBondContact O-N 3.34Å; L147-F149 VanDerWaalsContact O-N 3.08Å; F149-F491 HydrophobicContact CE1-CB 4.47Å; F149-F491 HydrophobicContact CE1-CD1 4.31Å; F149-F491 HydrophobicContact CZ-CD1 4.39Å; F149-Q492 HydrophobicContact CB-CB 4.43Å; F149-Q492 HydrophobicContact CB-CG 4.16Å; F149-Q492 HydrophobicContact CD1-CB 4.12Å; F149-Q492 HydrophobicContact CD1-CG 4.1Å; F149-Q492 HydrophobicContact CD2-CG 4.39Å; F149-Q492 HydrophobicContact CG-CB 4.36Å; F149-Q492 HydrophobicContact CG-CG 3.96Å
150	V	90.1	Very high	86	Confident	17 Å²	17	21 Å²	21	10%	0.103	11%	0.112	C	C	.	.			trans	-68.6	131.3	176.8	177.2	0	0	0	0	109.7	W109 V122 Y140 S142 L147	W109-V150 HydrophobicContact CH2-CB 4.4Å; W109-V150 HydrophobicContact CH2-CG1 3.94Å; W109-V150 HydrophobicContact CH2-CG2 3.89Å; W109-V150 HydrophobicContact CZ2-CB 4.14Å; W109-V150 HydrophobicContact CZ2-CG1 3.78Å; W109-V150 HydrophobicContact CZ2-CG2 3.97Å; V122-V150 HydrophobicContact CG2-CB 4.5Å; V122-V150 HydrophobicContact CG2-CG2 3.69Å; Y140-V150 HydrophobicContact CD1-CG1 4Å; Y140-V150 HydrophobicContact CD1-CG2 4.47Å; Y140-V150 HydrophobicContact CE1-CB 4.24Å; Y140-V150 HydrophobicContact CE1-CG1 3.56Å; Y140-V150 HydrophobicContact CE1-CG2 3.82Å; Y140-V150 HydrophobicContact CE2-CG1 4.46Å; S142-V150 WeakPolarHBondContact OG-CG2 3.44Å; L147-V150 HydrophobicContact CD1-CG2 4.42Å; L147-V150 WeakPolarHBondContact O-CG2 3.41Å; L147-V150 PolarHBondContact O-N 3.28Å
151	A	88.8	Confident	84	Confident	5 Å²	5	21.9 Å²	21.9	4%	0.041	12%	0.119	C	C	.	.			trans	-69.2	135.3	171.2	0	0	0	0	0	110.3	P98 H107 D153	P98-A151 HydrophobicContact CG-CB 4.06Å; H107-A151 PolarHBondContact CD2-O 3.36Å; H107-A151 PolarHBondContact NE2-O 2.96Å; A151-D153 HydrophobicContact CB-CB 4.44Å; A151-D153 PolarHBondContact O-N 2.93Å
152	A	86.9	Confident	81.7	Confident	10 Å²	10	22.2 Å²	22.2	8%	0.083	12%	0.121	C	C	.	.	S	Bend	trans	-76.5	64	175.3	0	0	0	0	0	110.9	T101 P104 V105 L605	T101-A152 WeakPolarHBondContact CG2-O 3.49Å; P104-A152 CarbonylContact C-O 3.55Å; P104-A152 WeakPolarHBondContact CA-O 3.35Å; P104-A152 HydrophobicContact CB-CB 4.09Å; V105-A152 PolarHBondContact N-O 3.2Å; V105-A152 CarbonylContact O-C 3.51Å; A152-L605 HydrophobicContact CB-CD2 4.36Å
153	D	87.4	Confident	79.3	Confident	38 Å²	38	23.1 Å²	23.1	20%	0.203	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-122.7	33.5	-173	71.7	-14.8	0	0	0	112.2	T101 V105 H107 A151 H329 R331	T101-D153 HydrophobicContact CG2-CB 4.06Å; V105-D153 PolarHBondContact O-N 3.47Å; H107-D153 IonicContact CE1-OD1 2.69Å; H107-D153 IonicContact NE2-OD1 2.63Å; H107-D153 PolarHBondContact NE2-OD1 3.47Å; A151-D153 HydrophobicContact CB-CB 4.44Å; A151-D153 PolarHBondContact O-N 2.93Å; D153-H329 PolarHBondContact O-NE2 3.33Å; D153-R331 PolarHBondContact O-NH1 3.29Å; D153-R331 PolarHBondContact O-NH2 3.14Å; D153-R331 IonicContact OD1-CZ 3.6Å; D153-R331 IonicContact OD1-NH1 3.91Å; D153-R331 PolarHBondContact OD1-NH1 2.99Å; D153-R331 IonicContact OD1-NH2 3.05Å; D153-R331 IonicContact OD2-NH1 2.71Å; D153-R331 PolarHBondContact OD2-NH1 3.41Å; D153-R331 VanDerWaalsContact OD2-NH1 3.1Å
154	C	88.4	Confident	77	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.137	C	C	.	.			trans	-60.2	169.6	-177.7	-155.2	0	0	0	0	112.7	V105 P106 H107 Q156 H329	V105-C154 HydrophobicContact CB-CB 4.19Å; V105-C154 HydrophobicContact CG1-CB 3.94Å; V105-C154 WeakPolarHBondContact O-CB 3.45Å; V105-C154 PolarHBondContact O-N 3.38Å; P106-C154 VanDerWaalsContact O-CB 3.23Å; P106-C154 WeakPolarHBondContact O-CB 3.4Å; H107-C154 PolarHBondContact ND1-SG 3.17Å; H107-C154 VanDerWaalsContact ND1-SG 3.41Å; C154-Q156 PolarHBondContact O-N 3.3Å; C154-Q156 VanDerWaalsContact O-N 3.17Å; C154-H329 PolarHBondContact O-CE1 3.07Å
155	K	87	Confident	74.5	Confident	2 Å²	2	23 Å²	23	1%	0.009	13%	0.133	C	C	.	.			trans	-56.5	120.1	177.1	-177.4	-176	-178.9	175.7	0	109.2	I137 C138 C157 E360 W361 K765 L767	I137-K155 HydrophobicContact CG2-CB 3.82Å; I137-K155 HydrophobicContact CG2-CD 4.01Å; I137-K155 HydrophobicContact CG2-CG 4.49Å; C138-K155 HydrophobicContact CB-CB 4.39Å; K155-C157 PolarHBondContact O-N 3.23Å; K155-C157 PolarHBondContact O-SG 2.9Å; K155-E360 HydrophobicContact CB-CB 4.42Å; K155-E360 HydrophobicContact CD-CB 4.17Å; K155-E360 WeakPolarHBondContact CE-O 3.48Å; K155-E360 HydrophobicContact CG-CB 4.15Å; K155-E360 PolarHBondContact NZ-O 2.85Å; K155-E360 VanDerWaalsContact NZ-O 3.1Å; K155-W361 HydrophobicContact CD-CH2 4.34Å; K155-W361 HydrophobicContact CD-CZ2 4.27Å; K155-W361 HydrophobicContact CG-CH2 4.28Å; K155-W361 HydrophobicContact CG-CZ2 3.77Å; K155-K765 PolarHBondContact NZ-O 3.27Å; K155-K765 VanDerWaalsContact NZ-O 3.13Å; K155-L767 PolarHBondContact NZ-O 3.33Å
156	Q	83	Confident	72.1	Confident	36 Å²	36	23.3 Å²	23.3	17%	0.168	14%	0.143	C	C	.	.			trans	-76.4	93.2	-178.3	-171.7	-163.2	-7.3	0	0	111.6	V105 C154 A158 T163 W361 P390	V105-Q156 HydrophobicContact CG2-CB 4.21Å; V105-Q156 HydrophobicContact CG2-CG 4.19Å; C154-Q156 PolarHBondContact O-N 3.3Å; C154-Q156 VanDerWaalsContact O-N 3.17Å; Q156-A158 WeakPolarHBondContact CG-O 3.47Å; Q156-A158 PolarHBondContact NE2-O 3.45Å; Q156-T163 PolarHBondContact NE2-OG1 3.4Å; Q156-T163 VanDerWaalsContact NE2-OG1 3.07Å; Q156-W361 VanDerWaalsContact O-CZ2 3.24Å; Q156-W361 WeakPolarHBondContact O-CZ2 3.19Å; Q156-P390 WeakPolarHBondContact O-CB 3.48Å
157	C	84.9	Confident	69.6	Low	10 Å²	10	30.4 Å²	30.4	7%	0.068	17%	0.173	C	C	.	.			trans	-86.6	-11.2	-168.9	-59.5	0	0	0	0	115	K155 N768 P769	K155-C157 PolarHBondContact O-N 3.23Å; K155-C157 PolarHBondContact O-SG 2.9Å; C157-N768 PolarHBondContact O-ND2 3.11Å; C157-N768 PolarHBondContact O-OD1 3.32Å; C157-P769 HydrophobicContact CB-CG 4.24Å; C157-P769 WeakPolarHBondContact SG-CD 3.4Å; C157-P769 VanDerWaalsContact SG-CG 3.51Å
158	A	81.2	Confident	67.3	Low	10 Å²	10	30.4 Å²	30.4	8%	0.083	18%	0.177	C	C	.	.	S	Bend	trans	-149.3	159.1	177.8	0	0	0	0	0	109.4	Q156 S160 V393 V395	Q156-A158 WeakPolarHBondContact CG-O 3.47Å; Q156-A158 PolarHBondContact NE2-O 3.45Å; A158-S160 PolarHBondContact O-N 2.88Å; A158-S160 VanDerWaalsContact O-N 3.11Å; A158-V393 HydrophobicContact CB-CB 3.85Å; A158-V393 HydrophobicContact CB-CG1 3.78Å; A158-V395 HydrophobicContact CB-CB 4.49Å; A158-V395 HydrophobicContact CB-CG2 3.69Å
159	T	72	Confident	64.9	Low	21 Å²	21	29.5 Å²	29.5	13%	0.129	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-62.1	111	158.8	47.7	0	0	0	0	108.2	M165 P390 V393	T159-M165 HydrophobicContact CG2-CG 3.67Å; T159-M165 HydrophobicContact CG2-SD 3.41Å; T159-M165 WeakPolarHBondContact CG2-SD 3.36Å; T159-P390 PolarHBondContact N-O 3.31Å; T159-V393 PolarHBondContact N-O 2.77Å; T159-V393 PolarHBondContact OG1-O 2.77Å
160	S	60	Low	62.6	Low	44 Å²	44	32.5 Å²	32.5	31%	0.308	19%	0.193	S	C	.	.			trans	-84.2	159.6	161.4	85.3	0	0	0	0	106.7	A158 L162 T163	A158-S160 PolarHBondContact O-N 2.88Å; A158-S160 VanDerWaalsContact O-N 3.11Å; S160-L162 PolarHBondContact O-N 3.25Å; S160-L162 VanDerWaalsContact O-N 3.07Å; S160-L162 PolarHBondContact OG-N 3.19Å; S160-T163 PolarHBondContact N-OG1 2.86Å; S160-T163 PolarHBondContact O-N 2.87Å; S160-T163 PolarHBondContact O-OG1 3.2Å; S160-T163 PolarHBondContact OG-OG1 3.29Å; S160-T163 VanDerWaalsContact OG-OG1 3.05Å
161	T	49.1	Very low	60.2	Low	31 Å²	31	33.3 Å²	33.3	19%	0.19	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	21.7	178.6	-7.7	0	0	0	0	114	R397 T555 E646	T161-R397 VanDerWaalsContact CB-CZ 3.42Å; T161-R397 WeakPolarHBondContact OG1-CD 3.32Å; T161-R397 WeakPolarHBondContact OG1-CG 3.43Å; T161-R397 PolarHBondContact OG1-NE 3Å; T161-R397 VanDerWaalsContact OG1-NE 3.08Å; T161-T555 HydrophobicContact CG2-CG2 4.05Å; T161-T555 WeakPolarHBondContact O-CG2 3.48Å; T161-T555 PolarHBondContact O-OG1 2.97Å; T161-T555 VanDerWaalsContact O-OG1 3.11Å; T161-E646 WeakPolarHBondContact CG2-OE1 3.48Å
162	L	46.1	Very low	58.1	Low	16 Å²	16	34.2 Å²	34.2	8%	0.084	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-23	153.9	-72.2	175.5	0	0	0	111.9	D103 P104 S160 E611 Y641	D103-L162 WeakPolarHBondContact OD1-CB 3.49Å; P104-L162 HydrophobicContact CG-CD1 4.15Å; S160-L162 PolarHBondContact O-N 3.25Å; S160-L162 VanDerWaalsContact O-N 3.07Å; S160-L162 PolarHBondContact OG-N 3.19Å; L162-E611 WeakPolarHBondContact CD1-OE1 3.47Å; L162-Y641 HydrophobicContact CD2-CD1 3.42Å; L162-Y641 VanDerWaalsContact CD2-CD1 3.42Å; L162-Y641 HydrophobicContact CD2-CD2 4.1Å; L162-Y641 HydrophobicContact CD2-CE1 3.79Å; L162-Y641 HydrophobicContact CD2-CE2 4.44Å; L162-Y641 HydrophobicContact CD2-CG 3.59Å
163	T	44.1	Very low	55.9	Low	19 Å²	19	35.3 Å²	35.3	12%	0.117	21%	0.209	C	C	.	.			trans	-92.8	121.6	-163.6	-22.3	0	0	0	0	114.4	D103 Q156 S160 M165	D103-T163 HydrophobicContact CB-CG2 4.45Å; D103-T163 WeakPolarHBondContact OD2-CB 3.36Å; D103-T163 VanDerWaalsContact OD2-CG2 3.31Å; D103-T163 WeakPolarHBondContact OD2-CG2 3.3Å; D103-T163 PolarHBondContact OD2-OG1 2.82Å; Q156-T163 PolarHBondContact NE2-OG1 3.4Å; Q156-T163 VanDerWaalsContact NE2-OG1 3.07Å; S160-T163 PolarHBondContact N-OG1 2.86Å; S160-T163 PolarHBondContact O-N 2.87Å; S160-T163 PolarHBondContact O-OG1 3.2Å; S160-T163 PolarHBondContact OG-OG1 3.29Å; S160-T163 VanDerWaalsContact OG-OG1 3.05Å; T163-M165 HydrophobicContact CG2-CG 4.49Å
164	S	43.3	Very low	53.5	Low	39 Å²	39	38.6 Å²	38.6	27%	0.273	23%	0.227	S	C	.	.			trans	-77	130.4	149	85.4	0	0	0	0	109	A166 D557	S164-A166 PolarHBondContact O-N 3.06Å; S164-D557 WeakPolarHBondContact CA-OD2 3.37Å; S164-D557 WeakPolarHBondContact CB-OD1 3.27Å; S164-D557 WeakPolarHBondContact CB-OD2 3.49Å
165	M	35.4	Very low	50.8	Low	39 Å²	39	42.4 Å²	42.4	19%	0.192	26%	0.258	C	S	.	.			trans	-88.5	35.3	169.2	-74.8	-159.8	71.5	0	0	112.5	T159 T163 V324 P390 Y391	T159-M165 HydrophobicContact CG2-CG 3.67Å; T159-M165 HydrophobicContact CG2-SD 3.41Å; T159-M165 WeakPolarHBondContact CG2-SD 3.36Å; T163-M165 HydrophobicContact CG2-CG 4.49Å; M165-V324 HydrophobicContact CB-CG1 3.79Å; M165-V324 HydrophobicContact CE-CG1 4.47Å; M165-P390 HydrophobicContact CE-CB 4.28Å; M165-P390 HydrophobicContact CE-CG 3.87Å; M165-P390 HydrophobicContact SD-CB 4.47Å; M165-Y391 HydrophobicContact CE-CD1 3.78Å; M165-Y391 HydrophobicContact CE-CG 4.37Å; M165-Y391 WeakPolarHBondContact SD-CA 3.48Å; M165-Y391 WeakPolarHBondContact SD-CB 3.41Å; M165-Y391 HydrophobicContact SD-CD1 4.32Å; M165-Y391 HydrophobicContact SD-CG 4.32Å; M165-Y391 PolarHBondContact SD-N 3Å
166	A	34.1	Very low	48.3	Very low	48 Å²	48	44.8 Å²	44.8	40%	0.397	27%	0.273	S	S	.	.	S	Bend	trans	-107.1	121.6	179.3	0	0	0	0	0	111.7	S164 S168	S164-A166 PolarHBondContact O-N 3.06Å; A166-S168 PolarHBondContact O-N 3.23Å
167	K	37.7	Very low	45.7	Very low	153 Å²	153	49 Å²	49	67%	0.665	29%	0.293	S	S	*	.	S	Bend	trans	64.5	1.6	148.6	-65.7	-178.6	-179.2	171.1	0	121.4
168	S	39	Very low	43	Very low	46 Å²	46	50.4 Å²	50.4	32%	0.322	30%	0.301	S	S	.	.			trans	-110	123.6	173.7	80.2	0	0	0	0	113.3	A166 S327	A166-S168 PolarHBondContact O-N 3.23Å; S168-S327 PolarHBondContact O-OG 3.1Å
169	P	35.5	Very low	40.6	Very low	33 Å²	33	59.4 Å²	59.4	21%	0.214	33%	0.333	C	S	.	.			trans	-59.4	146.4	161	29.7	-36.8	0	0	0	108.3	C171 S327 L376	P169-C171 HydrophobicContact CB-CB 3.88Å; P169-C171 WeakPolarHBondContact CB-SG 3.48Å; P169-C171 HydrophobicContact CG-CB 3.57Å; P169-C171 WeakPolarHBondContact CG-SG 3.28Å; P169-C171 PolarHBondContact O-N 2.83Å; P169-S327 WeakPolarHBondContact CA-OG 3.37Å; P169-L376 HydrophobicContact CB-CD1 3.74Å; P169-L376 HydrophobicContact CG-CD1 3.67Å
170	T	41	Very low	38.6	Very low	64 Å²	64	62.5 Å²	62.5	39%	0.393	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-67.5	59.5	145.9	-31.5	0	0	0	0	106.7	I172	T170-I172 PolarHBondContact O-N 2.67Å
171	C	40.2	Very low	37.2	Very low	34 Å²	34	61.6 Å²	61.6	23%	0.23	34%	0.342	C	S	.	.			trans	-66.8	132.2	167	-98.2	0	0	0	0	103.6	P169 P173	P169-C171 HydrophobicContact CB-CB 3.88Å; P169-C171 WeakPolarHBondContact CB-SG 3.48Å; P169-C171 HydrophobicContact CG-CB 3.57Å; P169-C171 WeakPolarHBondContact CG-SG 3.28Å; P169-C171 PolarHBondContact O-N 2.83Å; C171-P173 WeakPolarHBondContact O-CD 3.48Å
172	I	44.3	Very low	36.2	Very low	24 Å²	24	68 Å²	68	12%	0.123	36%	0.364	C	S	.	.			trans	-37.5	118.1	145.7	-58.2	174	0	0	0	106.8	V90 T91 T170 D174 L357 Y368	V90-I172 HydrophobicContact CB-CG2 3.94Å; V90-I172 HydrophobicContact CG2-CD1 3.86Å; V90-I172 HydrophobicContact CG2-CG2 4.35Å; V90-I172 WeakPolarHBondContact O-CG2 3.26Å; T91-I172 HydrophobicContact CG2-CD1 4.36Å; T170-I172 PolarHBondContact O-N 2.67Å; I172-D174 PolarHBondContact O-N 2.79Å; I172-L357 HydrophobicContact CD1-CD1 3.69Å; I172-L357 HydrophobicContact CD1-CD2 3.92Å; I172-L357 HydrophobicContact CD1-CG 4.39Å; I172-Y368 HydrophobicContact CD1-CD1 4.22Å; I172-Y368 HydrophobicContact CD1-CE1 4.15Å
173	P	40.5	Very low	35.2	Very low	34 Å²	34	73.8 Å²	73.8	22%	0.221	39%	0.393	C	S	.	.			trans	-51.3	132.6	-169	-32.1	39	0	0	0	110	Q41 L100 C171 V176	Q41-P173 PolarHBondContact NE2-O 2.97Å; L100-P173 HydrophobicContact CB-CG 3.67Å; L100-P173 HydrophobicContact CD1-CB 4.2Å; L100-P173 HydrophobicContact CD1-CG 3.56Å; L100-P173 HydrophobicContact CD2-CB 4.4Å; L100-P173 HydrophobicContact CD2-CG 4.17Å; L100-P173 HydrophobicContact CG-CG 3.96Å; C171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-V176 HydrophobicContact CB-CG2 3.8Å
174	D	36.6	Very low	34.2	Very low	106 Å²	106	78.4 Å²	78.4	57%	0.567	41%	0.414	S	S	*	.	S	Bend	trans	-55.8	148.7	165.1	-77.7	-45	0	0	0	108.6	I172 V176 R372	I172-D174 PolarHBondContact O-N 2.79Å; D174-V176 PolarHBondContact O-N 3.44Å; D174-R372 IonicContact OD1-CZ 3.9Å; D174-R372 IonicContact OD1-NH2 2.95Å; D174-R372 PolarHBondContact OD1-NH2 2.8Å
175	A	31.6	Very low	33.5	Very low	82 Å²	82	78.7 Å²	78.7	68%	0.678	42%	0.416	S	S	*	.			trans	-32.9	104.9	-169.7	0	0	0	0	0	112.5	Q41 E177	Q41-A175 VanDerWaalsContact NE2-CA 3.3Å; A175-E177 PolarHBondContact O-N 3.1Å
176	V	34	Very low	33.1	Very low	52 Å²	52	85.1 Å²	85.1	32%	0.315	44%	0.438	S	S	.	.			trans	-70.6	106.9	178.3	179.3	0	0	0	0	107.5	L100 P173 D174 T178	L100-V176 HydrophobicContact CD1-CG2 4.29Å; L100-V176 HydrophobicContact CD2-CG2 3.68Å; P173-V176 HydrophobicContact CB-CG2 3.8Å; D174-V176 PolarHBondContact O-N 3.44Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 HydrophobicContact CG1-CG2 4.19Å; V176-T178 PolarHBondContact O-N 3.27Å
177	E	28.3	Very low	32.9	Very low	125 Å²	125	87.1 Å²	87.1	58%	0.584	44%	0.442	S	S	*	.			trans	-65.7	96.1	160.1	-75.3	-159.3	125.5	0	0	107.6	A175 S181	A175-E177 PolarHBondContact O-N 3.1Å; E177-S181 WeakPolarHBondContact CG-OG 3.44Å; E177-S181 PolarHBondContact OE1-OG 2.8Å
178	T	29.3	Very low	32.4	Very low	39 Å²	39	85.4 Å²	85.4	24%	0.239	44%	0.439	C	S	.	.			trans	-63.6	161.6	170.1	56	0	0	0	0	109.4	W39 V176 N180 S181	W39-T178 HydrophobicContact CE3-CG2 4.34Å; W39-T178 HydrophobicContact CZ3-CG2 4.25Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 HydrophobicContact CG1-CG2 4.19Å; V176-T178 PolarHBondContact O-N 3.27Å; T178-N180 PolarHBondContact O-N 2.76Å; T178-S181 WeakPolarHBondContact O-CA 3.24Å; T178-S181 VanDerWaalsContact O-CB 3.25Å; T178-S181 WeakPolarHBondContact O-CB 3.48Å; T178-S181 PolarHBondContact O-N 2.78Å
179	R	31.6	Very low	31.9	Very low	198 Å²	198	90.9 Å²	90.9	75%	0.747	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-25.7	178.9	-146.3	173	179	165.1	0.8	113.3	Y182	R179-Y182 WeakPolarHBondContact O-CB 3.49Å
180	N	30	Very low	31.5	Very low	86 Å²	86	94.9 Å²	94.9	46%	0.46	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-19.8	175.1	-70.4	-27.5	0	0	0	114.7	T178 Y182 M183 M184 D496	T178-N180 PolarHBondContact O-N 2.76Å; N180-Y182 PolarHBondContact O-N 2.79Å; N180-M183 PolarHBondContact O-N 2.85Å; N180-M184 WeakPolarHBondContact O-CB 3.41Å; N180-M184 PolarHBondContact O-N 2.84Å; N180-D496 PolarHBondContact ND2-OD2 2.82Å
181	S	29.8	Very low	30.7	Very low	26 Å²	26	99.8 Å²	99.8	18%	0.182	49%	0.493	C	S	.	.	H	α-helix	trans	-61.8	-36.1	165.6	-171.2	0	0	0	0	110.8	E177 T178 M183 M184 S185	E177-S181 WeakPolarHBondContact CG-OG 3.44Å; E177-S181 PolarHBondContact OE1-OG 2.8Å; T178-S181 WeakPolarHBondContact O-CA 3.24Å; T178-S181 VanDerWaalsContact O-CB 3.25Å; T178-S181 WeakPolarHBondContact O-CB 3.48Å; T178-S181 PolarHBondContact O-N 2.78Å; S181-M183 PolarHBondContact O-N 2.8Å; S181-M184 PolarHBondContact O-N 3.5Å; S181-S185 WeakPolarHBondContact O-CB 3.47Å; S181-S185 PolarHBondContact O-N 2.87Å; S181-S185 PolarHBondContact O-OG 2.93Å
182	Y	27	Very low	30.1	Very low	166 Å²	166	103 Å²	103	65%	0.651	52%	0.516	S	S	*	.	H	α-helix	trans	-60.5	-31.4	175.2	-137.2	-91.7	0	0	0	112.5	R179 N180	R179-Y182 WeakPolarHBondContact O-CB 3.49Å; N180-Y182 PolarHBondContact O-N 2.79Å
183	M	25.9	Very low	29.2	Very low	137 Å²	137	110.6 Å²	110.6	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-85.1	-41	174.5	-72.5	-126.1	170.2	0	0	113	N180 S181 R186 L187	N180-M183 PolarHBondContact O-N 2.85Å; S181-M183 PolarHBondContact O-N 2.8Å; M183-R186 PolarHBondContact O-N 2.85Å; M183-L187 PolarHBondContact O-N 3.16Å
184	M	24.2	Very low	28.5	Very low	115 Å²	115	113.6 Å²	113.6	57%	0.567	57%	0.569	S	S	*	*	H	α-helix	trans	-74.4	-33.3	-179	-75.6	-67.4	-172.3	0	0	113.1	N180 S181 R186 L187 L188	N180-M184 WeakPolarHBondContact O-CB 3.41Å; N180-M184 PolarHBondContact O-N 2.84Å; S181-M184 PolarHBondContact O-N 3.5Å; M184-R186 VanDerWaalsContact C-N 3.27Å; M184-R186 PolarHBondContact O-N 3.24Å; M184-L187 PolarHBondContact O-N 3.29Å; M184-L187 HydrophobicContact SD-CD1 4.07Å; M184-L188 WeakPolarHBondContact O-CB 3.39Å; M184-L188 PolarHBondContact O-N 3.09Å
185	S	28.4	Very low	27.8	Very low	45 Å²	45	120.2 Å²	120.2	32%	0.315	59%	0.588	S	S	.	*	H	α-helix	trans	-67.1	-28.2	172.2	-71	0	0	0	0	111.9	S181 K189	S181-S185 WeakPolarHBondContact O-CB 3.47Å; S181-S185 PolarHBondContact O-N 2.87Å; S181-S185 PolarHBondContact O-OG 2.93Å; S185-K189 VanDerWaalsContact O-CB 3.24Å; S185-K189 WeakPolarHBondContact O-CB 3.49Å; S185-K189 WeakPolarHBondContact O-CG 3.4Å; S185-K189 PolarHBondContact O-N 2.82Å; S185-K189 VanDerWaalsContact O-N 3.14Å
186	R	26.8	Very low	27.6	Very low	174 Å²	174	121.2 Å²	121.2	66%	0.657	59%	0.591	S	S	*	*	H	α-helix	trans	-72.8	-43.9	168.1	-81	-172.3	175.3	-161.9	-0.6	111.9	M183 M184 N190	M183-R186 PolarHBondContact O-N 2.85Å; M184-R186 VanDerWaalsContact C-N 3.27Å; M184-R186 PolarHBondContact O-N 3.24Å; R186-N190 VanDerWaalsContact O-CB 3.26Å; R186-N190 WeakPolarHBondContact O-CB 3.17Å; R186-N190 PolarHBondContact O-N 2.97Å
187	L	28.9	Very low	27.3	Very low	90 Å²	90	124 Å²	124	47%	0.471	61%	0.612	S	S	.	*	H	α-helix	trans	-63.6	-44.9	177.8	-77.4	159.8	0	0	0	111.7	M183 M184 N190 F191	M183-L187 PolarHBondContact O-N 3.16Å; M184-L187 PolarHBondContact O-N 3.29Å; M184-L187 HydrophobicContact SD-CD1 4.07Å; L187-N190 PolarHBondContact O-N 2.92Å; L187-F191 WeakPolarHBondContact O-CD2 3.5Å; L187-F191 PolarHBondContact O-N 2.9Å
188	L	28.4	Very low	27.1	Very low	117 Å²	117	126 Å²	126	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-76.5	-30.8	-178.2	-72.6	164.5	0	0	0	114	M184 N190 F191 S192	M184-L188 WeakPolarHBondContact O-CB 3.39Å; M184-L188 PolarHBondContact O-N 3.09Å; L188-N190 VanDerWaalsContact C-N 3.32Å; L188-F191 PolarHBondContact O-N 3.43Å; L188-S192 PolarHBondContact O-N 3.14Å; L188-S192 PolarHBondContact O-OG 3.34Å; L188-S192 VanDerWaalsContact O-OG 3.07Å
189	K	27.1	Very low	27.1	Very low	162 Å²	162	131 Å²	131	70%	0.704	65%	0.652	S	S	*	*	H	α-helix	trans	-69.7	-31.9	169.5	-81.2	-179.8	175.1	175.1	0	111.9	S185	S185-K189 VanDerWaalsContact O-CB 3.24Å; S185-K189 WeakPolarHBondContact O-CB 3.49Å; S185-K189 WeakPolarHBondContact O-CG 3.4Å; S185-K189 PolarHBondContact O-N 2.82Å; S185-K189 VanDerWaalsContact O-N 3.14Å
190	N	26.9	Very low	27.3	Very low	117 Å²	117	126.8 Å²	126.8	63%	0.626	65%	0.651	S	S	*	*	H	α-helix	trans	-78.3	-27.9	175.3	-69.5	-1.2	0	0	0	112.4	R186 L187 L188 S192	R186-N190 VanDerWaalsContact O-CB 3.26Å; R186-N190 WeakPolarHBondContact O-CB 3.17Å; R186-N190 PolarHBondContact O-N 2.97Å; L187-N190 PolarHBondContact O-N 2.92Å; L188-N190 VanDerWaalsContact C-N 3.32Å; N190-S192 VanDerWaalsContact C-N 3.29Å; N190-S192 PolarHBondContact O-N 2.85Å
191	F	25.9	Very low	27.2	Very low	167 Å²	167	129.8 Å²	129.8	73%	0.732	67%	0.667	S	S	*	*	H	α-helix	trans	-75.4	-13.3	172.4	-91.5	-74.9	0	0	0	114.3	L187 L188	L187-F191 WeakPolarHBondContact O-CD2 3.5Å; L187-F191 PolarHBondContact O-N 2.9Å; L188-F191 PolarHBondContact O-N 3.43Å
192	S	26	Very low	27	Very low	101 Å²	101	136 Å²	136	71%	0.706	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	4.5	179.1	-55.1	0	0	0	0	114.2	L188 N190	L188-S192 PolarHBondContact O-N 3.14Å; L188-S192 PolarHBondContact O-OG 3.34Å; L188-S192 VanDerWaalsContact O-OG 3.07Å; N190-S192 VanDerWaalsContact C-N 3.29Å; N190-S192 PolarHBondContact O-N 2.85Å
193	K	25.8	Very low	26.9	Very low	184 Å²	184	134.7 Å²	134.7	80%	0.8	71%	0.707	S	S	*	*	S	Bend	trans	-141.4	66	176.7	-80.6	-171.6	175.2	-177.4	0	112
194	S	25.5	Very low	26.9	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	71%	0.708	S	S	*	*			trans	-171.7	68.4	157.1	56.2	0	0	0	0	110.8
195	Y	23.5	Very low	26.8	Very low	245 Å²	245	136 Å²	136	96%	0.961	72%	0.724	S	S	*	*			trans	-107.8	84.1	147.8	-96.1	-83.3	0	0	0	105.8
196	S	25.9	Very low	26.6	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	74%	0.744	S	S	*	*	S	Bend	trans	-175.5	135	154.7	-175.9	0	0	0	0	110.1
197	S	28.8	Very low	26.3	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	75%	0.751	S	S	*	*			trans	68	110.2	162.7	50.7	0	0	0	0	119.2
198	N	24.2	Very low	25.9	Very low	166 Å²	166	143.7 Å²	143.7	89%	0.888	77%	0.765	S	S	*	*			trans	-58.6	127.8	162.1	-58.5	-36.3	0	0	0	111.3
199	D	29.4	Very low	25.5	Very low	146 Å²	146	144 Å²	144	78%	0.781	77%	0.772	S	S	*	*			trans	-149.5	118.3	145.4	-153	-18.1	0	0	0	108.7	N201	D199-N201 PolarHBondContact O-N 2.83Å
200	P	35.1	Very low	25.4	Very low	109 Å²	109	143.2 Å²	143.2	71%	0.708	78%	0.776	S	S	*	*			trans	-96.2	81.6	-173.5	35.1	-28.2	0	0	0	110.1
201	N	26.9	Very low	25.2	Very low	149 Å²	149	145.2 Å²	145.2	80%	0.797	79%	0.786	S	S	*	*			trans	-173.9	83.4	159.3	-85.7	-37.8	0	0	0	109.3	D199	D199-N201 PolarHBondContact O-N 2.83Å
202	D	27.4	Very low	25.1	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	79%	0.791	S	S	*	*			trans	-160.7	112.4	153.9	-103.5	-25.7	0	0	0	110.4
203	V	24.3	Very low	25.1	Very low	138 Å²	138	149 Å²	149	84%	0.836	80%	0.799	S	S	*	*			trans	-107.3	104.3	170.8	177.1	0	0	0	0	106.6
204	P	26.1	Very low	24.9	Very low	107 Å²	107	146.2 Å²	146.2	70%	0.695	80%	0.798	S	S	*	*			trans	-94	115.4	176.5	1.5	18.6	0	0	0	110.3
205	L	21.8	Very low	24.8	Very low	173 Å²	173	148.8 Å²	148.8	91%	0.906	80%	0.804	S	S	*	*			trans	-56.1	128.1	161.1	-85.2	132.4	0	0	0	110.1
206	I	23.6	Very low	24.8	Very low	144 Å²	144	146.5 Å²	146.5	74%	0.738	80%	0.799	S	S	*	*			trans	-95.9	103.7	175.4	-60.7	171.7	0	0	0	107.2	F208	I206-F208 HydrophobicContact CG2-CE2 4.42Å
207	D	20.8	Very low	24.6	Very low	150 Å²	150	148 Å²	148	80%	0.802	81%	0.809	S	S	*	*			trans	-96.9	142.5	169.1	-156.3	-0	0	0	0	110.7
208	F	19.6	Very low	24.2	Very low	176 Å²	176	150.2 Å²	150.2	77%	0.772	81%	0.81	S	S	*	*			trans	-106.6	100.6	-170.9	-84.1	-95.4	0	0	0	109.9	I206	I206-F208 HydrophobicContact CG2-CE2 4.42Å
209	T	21.9	Very low	24.2	Very low	123 Å²	123	149.2 Å²	149.2	76%	0.755	81%	0.805	S	S	*	*			trans	-163.9	136.3	153.8	36.5	0	0	0	0	113
210	D	24	Very low	24	Very low	146 Å²	146	150 Å²	150	78%	0.781	81%	0.809	S	S	*	*			trans	79.2	106.9	151.1	-59.4	-23.5	0	0	0	123.3
211	N	22.6	Very low	23.3	Very low	158 Å²	158	152.9 Å²	152.9	85%	0.845	82%	0.817	S	S	*	*			trans	-4.3	118.1	131.3	-77.5	-20.1	0	0	0	116.9
212	E	23.2	Very low	23.1	Very low	179 Å²	179	152.5 Å²	152.5	84%	0.836	82%	0.815	S	S	*	*				171.4	101.6	123.7	-98.7	-175.3	173.4	0	0	108.4
213	L	26.1	Very low	22.9	Very low	168 Å²	168	150.5 Å²	150.5	88%	0.88	81%	0.808	S	S	*	*			trans	-165.7	65.2	152.5	-123.4	106.8	0	0	0	110.3
214	T	22.1	Very low	22.8	Very low	126 Å²	126	149.9 Å²	149.9	77%	0.773	81%	0.805	S	S	*	*			trans	-77.7	139.5	150.6	34.9	0	0	0	0	108.4
215	N	23.3	Very low	22.6	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	81%	0.812	S	S	*	*			trans	88.6	78.3	177.2	-54.9	-23.7	0	0	0	116.9
216	K	23.3	Very low	22.8	Very low	197 Å²	197	148.1 Å²	148.1	86%	0.857	81%	0.81	S	S	*	*			trans	-175.8	86.4	139.8	-102.7	164.5	-173.7	179.3	0	109.7
217	C	22.3	Very low	22.8	Very low	137 Å²	137	146.5 Å²	146.5	93%	0.926	81%	0.811	S	S	*	*			trans	-172.2	65.7	156.7	-102.7	0	0	0	0	109.6
218	I	20.7	Very low	23	Very low	156 Å²	156	143.6 Å²	143.6	80%	0.8	81%	0.808	S	S	*	*			trans	-124.8	137.9	154.8	-64.7	178.4	0	0	0	105
219	N	22.8	Very low	23.3	Very low	144 Å²	144	141.2 Å²	141.2	77%	0.77	81%	0.808	S	S	*	*			trans	93.6	82.8	-178.2	-56.5	-20.1	0	0	0	116.1
220	N	25	Very low	23.4	Very low	162 Å²	162	140.2 Å²	140.2	87%	0.866	81%	0.806	S	S	*	*				-165.1	80.8	120.7	-93.6	-13.2	0	0	0	109.2
221	I	21.2	Very low	23.4	Very low	170 Å²	170	138.7 Å²	138.7	87%	0.872	81%	0.807	S	S	*	*			trans	-107.2	93.4	161.1	-62.4	173.6	0	0	0	105.7
222	N	22	Very low	23.6	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	80%	0.8	S	S	*	*			trans	-162.3	127.6	163.8	-88.3	-20.3	0	0	0	102
223	T	23.9	Very low	23.5	Very low	114 Å²	114	133.9 Å²	133.9	70%	0.699	80%	0.797	S	S	*	*			cis	-174.4	145.8	32.8	4.5	0	0	0	0	107.3
224	T	22.9	Very low	23.4	Very low	126 Å²	126	133.4 Å²	133.4	77%	0.773	79%	0.794	S	S	*	*			trans	47.2	118.7	147.6	44.6	0	0	0	0	121.5
225	A	20.7	Very low	23.5	Very low	101 Å²	101	132 Å²	132	84%	0.835	79%	0.789	S	S	*	*			trans	-49.9	132	149.7	0	0	0	0	0	112.7
226	T	27.1	Very low	23.5	Very low	141 Å²	141	130.9 Å²	130.9	87%	0.865	79%	0.789	S	S	*	*			trans	-137.7	136.1	148.8	41.8	0	0	0	0	110.1
227	S	23.7	Very low	23.4	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	79%	0.786	S	S	*	*			trans	-68.2	146.7	-177.1	52.3	0	0	0	0	115
228	A	24.4	Very low	23.5	Very low	89 Å²	89	131 Å²	131	74%	0.736	78%	0.778	S	S	*	*				77.6	147.7	128.9	0	0	0	0	0	122
229	V	25.9	Very low	23.4	Very low	126 Å²	126	128.8 Å²	128.8	76%	0.764	77%	0.772	S	S	*	*			trans	98.6	94.4	151.4	-162.6	0	0	0	0	117.7
230	S	24	Very low	23.3	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	77%	0.772	S	S	*	*				44.6	127.6	115.7	-48.5	0	0	0	0	122
231	S	25	Very low	23.1	Very low	115 Å²	115	124.8 Å²	124.8	80%	0.804	76%	0.763	S	S	*	*			trans	80.3	116.6	131.3	-55.9	0	0	0	0	121.1
232	A	25.2	Very low	23.1	Very low	84 Å²	84	123.2 Å²	123.2	69%	0.694	76%	0.756	S	S	*	*				75.4	118	126.4	0	0	0	0	0	120.9
233	I	22.4	Very low	23	Very low	151 Å²	151	121.7 Å²	121.7	77%	0.774	75%	0.752	S	S	*	*				61.6	109.9	128.1	-54.2	171.1	0	0	0	117
234	L	24.3	Very low	23	Very low	158 Å²	158	123.1 Å²	123.1	83%	0.827	76%	0.756	S	S	*	*				172.6	152	98.3	-151.8	78.6	0	0	0	110.6
235	S	23.2	Very low	23	Very low	96 Å²	96	122.8 Å²	122.8	67%	0.671	75%	0.754	S	S	*	*			trans	-48.1	150.9	-177.6	-46.4	0	0	0	0	119.4
236	T	23.4	Very low	23.3	Very low	128 Å²	128	123.6 Å²	123.6	79%	0.785	75%	0.753	S	S	*	*			trans	7	126.9	144.1	44.3	0	0	0	0	118.4
237	M	21.5	Very low	23	Very low	165 Å²	165	122.7 Å²	122.7	81%	0.813	75%	0.747	S	S	*	*			trans	-177.3	129.8	133	-87.3	-114.4	166.7	0	0	111.2
238	F	23.2	Very low	23.3	Very low	172 Å²	172	123 Å²	123	75%	0.754	75%	0.746	S	S	*	*			trans	63.5	112.1	150.1	-74	-94.1	0	0	0	122.8
239	T	20.3	Very low	23.2	Very low	109 Å²	109	125 Å²	125	67%	0.669	74%	0.744	S	S	*	*			trans	-2.8	148.8	130	54.5	0	0	0	0	120.4
240	T	20.2	Very low	23	Very low	124 Å²	124	125.5 Å²	125.5	76%	0.761	74%	0.741	S	S	*	*			trans	112.8	115.6	144	64.2	0	0	0	0	118.6
241	S	20.1	Very low	22.9	Very low	98 Å²	98	124.6 Å²	124.6	69%	0.685	74%	0.735	S	S	*	*				77.5	146.7	128.8	67.3	0	0	0	0	122.5
242	N	21.4	Very low	23	Very low	136 Å²	136	127.6 Å²	127.6	73%	0.727	74%	0.736	S	S	*	*			trans	97.9	103.6	158	-66.8	-5.8	0	0	0	116.6
243	T	20.6	Very low	22.9	Very low	111 Å²	111	128.3 Å²	128.3	68%	0.681	74%	0.736	S	S	*	*				70.4	117.7	64	66.7	0	0	0	0	114
244	N	23.4	Very low	22.8	Very low	143 Å²	143	125.7 Å²	125.7	77%	0.765	73%	0.731	S	S	*	*			trans	158.9	134	141.6	-85.2	-8.3	0	0	0	106.9
245	T	23.1	Very low	22.8	Very low	120 Å²	120	124.3 Å²	124.3	74%	0.736	73%	0.729	S	S	*	*			cis	-174.7	165.1	11.8	9.9	0	0	0	0	107.8
246	S	26.7	Very low	22.6	Very low	118 Å²	118	126.5 Å²	126.5	83%	0.825	73%	0.733	S	S	*	*			trans	88.6	85.6	162.1	56.4	0	0	0	0	121.3
247	V	21.1	Very low	22.5	Very low	122 Å²	122	126.4 Å²	126.4	74%	0.739	73%	0.732	S	S	*	*			trans	-42.6	168.8	137.3	177	0	0	0	0	112.7	L249	V247-L249 HydrophobicContact CG1-CD1 3.91Å
248	P	30.7	Very low	23.1	Very low	115 Å²	115	123.7 Å²	123.7	75%	0.747	73%	0.727	S	S	*	*			cis	-132.4	-173.5	9.4	8.4	21.3	0	0	0	114.2
249	L	21.7	Very low	23	Very low	133 Å²	133	125 Å²	125	70%	0.696	73%	0.733	S	S	*	*			cis	-171.7	158.5	-18.9	-133.1	81	0	0	0	106	V247	V247-L249 HydrophobicContact CG1-CD1 3.91Å
250	I	22.3	Very low	23	Very low	136 Å²	136	125.7 Å²	125.7	70%	0.697	74%	0.737	S	S	*	*			trans	88.1	90	146.8	-65.8	163.4	0	0	0	119
251	S	20.7	Very low	23	Very low	82 Å²	82	124.7 Å²	124.7	57%	0.573	74%	0.735	S	S	*	*				60.1	124.5	116.3	75.4	0	0	0	0	121.1
252	H	28.1	Very low	23.1	Very low	178 Å²	178	126 Å²	126	82%	0.824	74%	0.739	S	S	*	*				-153.3	130.1	98.6	-90.8	-72.4	0	0	0	111
253	S	22.5	Very low	23	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	74%	0.744	S	S	*	*			trans	-36.4	161	156.5	53.4	0	0	0	0	114.6
254	S	21	Very low	22.9	Very low	96 Å²	96	127.4 Å²	127.4	67%	0.671	74%	0.744	S	S	*	*			cis	174.2	174.4	3.5	41.8	0	0	0	0	107.5
255	T	23.7	Very low	22.8	Very low	128 Å²	128	126.5 Å²	126.5	79%	0.785	74%	0.743	S	S	*	*			trans	87.2	91.2	156.7	59.8	0	0	0	0	120.5
256	N	20.3	Very low	22.8	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	74%	0.74	S	S	*	*				33.3	117.4	107.3	-77.9	-7.7	0	0	0	121.2
257	T	20.3	Very low	22.6	Very low	125 Å²	125	128.3 Å²	128.3	77%	0.767	74%	0.741	S	S	*	*				58.7	174.9	127.4	66.7	0	0	0	0	119.6
258	P	34	Very low	22.8	Very low	109 Å²	109	130.2 Å²	130.2	71%	0.708	75%	0.745	S	S	*	*				-127	171	-74.4	38.1	-22.3	0	0	0	112.1
259	K	21.4	Very low	22.6	Very low	198 Å²	198	129.4 Å²	129.4	86%	0.861	74%	0.743	S	S	*	*			trans	177.9	107.3	151	-97.9	152.6	-173.2	-172.7	0	109.7
260	T	20	Very low	22.8	Very low	125 Å²	125	132.4 Å²	132.4	77%	0.767	75%	0.753	S	S	*	*				58.4	117.5	93.2	40.8	0	0	0	0	117.7
261	S	19.3	Very low	23	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	76%	0.759	S	S	*	*			trans	59.3	115.2	141.3	74	0	0	0	0	120.8
262	T	22.8	Very low	23.4	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	77%	0.77	S	S	*	*				169.3	116.5	115.5	23.7	0	0	0	0	107.1
263	Q	19.2	Very low	23.3	Very low	176 Å²	176	134.2 Å²	134.2	82%	0.822	78%	0.775	S	S	*	*				73.1	125.2	88.4	-137.2	-178.7	12.1	0	0	114.2
264	C	19.1	Very low	23.5	Very low	101 Å²	101	137.5 Å²	137.5	68%	0.682	79%	0.785	S	S	*	*			trans	86.6	116.1	155.4	-76.5	0	0	0	0	122
265	T	20.2	Very low	23.8	Very low	123 Å²	123	141.8 Å²	141.8	76%	0.755	79%	0.794	S	S	*	*				85.7	121.1	125.7	58.1	0	0	0	0	122.2
266	S	23.5	Very low	24	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	80%	0.795	S	S	*	*			trans	71.9	116.4	135	60.6	0	0	0	0	121
267	E	22.8	Very low	24.2	Very low	179 Å²	179	140.5 Å²	140.5	84%	0.836	80%	0.801	S	S	*	*			trans	65.6	116.2	134.1	-61.2	-178.1	165.1	0	0	119.2
268	I	25.9	Very low	24.4	Very low	162 Å²	162	143.8 Å²	143.8	83%	0.831	80%	0.804	S	S	*	*				168.8	133.1	114.4	-82.5	157.9	0	0	0	111.5
269	S	26.9	Very low	23.9	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	81%	0.809	S	S	*	*			trans	41.7	103.7	154.4	-75.1	0	0	0	0	122.7	L271	S269-L271 PolarHBondContact O-N 3.26Å
270	E	24.6	Very low	24.1	Very low	195 Å²	195	143.7 Å²	143.7	91%	0.911	81%	0.811	S	S	*	*				7.1	82.6	101.9	-156.7	170.8	-147.2	0	0	117.6
271	L	26.7	Very low	24.4	Very low	157 Å²	157	143.5 Å²	143.5	82%	0.822	82%	0.815	S	S	*	*			trans	-168.4	57.8	156.7	-117	160.8	0	0	0	112.5	S269	S269-L271 PolarHBondContact O-N 3.26Å
272	A	28.8	Very low	24.5	Very low	97 Å²	97	144.4 Å²	144.4	80%	0.802	82%	0.822	S	S	*	*			trans	-134	17.1	-179.2	0	0	0	0	0	115.6
273	L	27.4	Very low	24.8	Very low	180 Å²	180	143.8 Å²	143.8	94%	0.942	82%	0.822	S	S	*	*	S	Bend	trans	-115.6	14.8	-179.1	-91	160.2	0	0	0	115.1
274	L	25.6	Very low	24.9	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	82%	0.819	S	S	*	*	S	Bend	trans	-114.2	19.3	179.5	-119.1	146.2	0	0	0	114.5
275	E	27.9	Very low	25.2	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	83%	0.827	S	S	*	*	S	Bend	trans	-117.6	9.9	-177.2	-154	145.1	-149.7	0	0	115
276	A	26.6	Very low	25.4	Very low	97 Å²	97	142 Å²	142	80%	0.802	82%	0.822	S	S	*	*	S	Bend	trans	-102	5.8	-178.2	0	0	0	0	0	116
277	V	25.6	Very low	25.2	Very low	147 Å²	147	143.9 Å²	143.9	89%	0.891	83%	0.829	S	S	*	*	S	Bend	trans	-118	16.4	-177.4	-169.8	0	0	0	0	113.5
278	K	23.7	Very low	25.1	Very low	193 Å²	193	140.7 Å²	140.7	84%	0.839	83%	0.826	S	S	*	*			trans	-119.2	75.9	170.7	-81.2	-176.2	177.5	174.4	0	111.9
279	T	24.8	Very low	25.7	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	82%	0.822	S	S	*	*			trans	-173.9	94.3	151.2	24.1	0	0	0	0	109.6
280	L	25.3	Very low	25.5	Very low	174 Å²	174	141.8 Å²	141.8	91%	0.911	83%	0.827	S	S	*	*	S	Bend	trans	176.6	88.5	144	-97.3	145.6	0	0	0	108.6
281	S	26	Very low	25.2	Very low	122 Å²	122	138 Å²	138	85%	0.853	82%	0.817	S	S	*	*			trans	154.1	68.7	142.1	49.2	0	0	0	0	110.8
282	S	21.9	Very low	24.9	Very low	121 Å²	121	137 Å²	137	85%	0.846	82%	0.818	S	S	*	*			trans	-86.9	107.8	152.7	52.3	0	0	0	0	108.3
283	S	27.5	Very low	24.5	Very low	112 Å²	112	141 Å²	141	78%	0.783	83%	0.825	S	S	*	*			trans	-129	89.7	156.3	54.8	0	0	0	0	108.3
284	S	21.4	Very low	24.1	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	81%	0.807	S	S	*	*			trans	6.3	131.9	143.5	-47.3	0	0	0	0	119
285	L	26.1	Very low	23.8	Very low	162 Å²	162	132.5 Å²	132.5	85%	0.848	80%	0.804	S	S	*	*				-173	102.6	128.9	-94.2	150.4	0	0	0	109.1
286	S	23.6	Very low	23.5	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	80%	0.795	S	S	*	*				63.9	104.1	118.3	64.5	0	0	0	0	116.2
287	V	19.7	Very low	23.4	Very low	137 Å²	137	132.1 Å²	132.1	83%	0.83	80%	0.796	S	S	*	*				70	101.4	81.3	175.9	0	0	0	0	113.9
288	S	22	Very low	23.2	Very low	112 Å²	112	133.2 Å²	133.2	78%	0.783	79%	0.792	S	S	*	*				160.3	158.5	122.1	-76.3	0	0	0	0	114.4
289	P	38.3	Very low	23.1	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	79%	0.788	S	S	*	*			trans	-111	176.8	-157	40.6	-29.1	0	0	0	113.9
290	Q	21.1	Very low	22.9	Very low	170 Å²	170	131 Å²	131	79%	0.794	78%	0.782	S	S	*	*			trans	143.5	107.4	148.7	-84.3	176.8	9.6	0	0	110.6
291	T	19	Very low	22.7	Very low	115 Å²	115	127.5 Å²	127.5	71%	0.706	77%	0.772	S	S	*	*				71.4	142.6	92.5	55.5	0	0	0	0	115.7
292	T	21.5	Very low	22.5	Very low	138 Å²	138	127.3 Å²	127.3	85%	0.847	77%	0.77	S	S	*	*			trans	82.6	152.9	167.7	65.4	0	0	0	0	117.8
293	L	18.6	Very low	22.3	Very low	180 Å²	180	127.6 Å²	127.6	94%	0.942	77%	0.767	S	S	*	*			cis	174.2	144	-32.3	-159.2	93.4	0	0	0	102.4
294	G	20.7	Very low	22.2	Very low	56 Å²	56	129.1 Å²	129.1	58%	0.577	77%	0.772	S	S	*	*			trans	129.9	102.6	168.1	0	0	0	0	0	112.3
295	S	19.5	Very low	22.1	Very low	116 Å²	116	133.5 Å²	133.5	81%	0.811	78%	0.777	S	S	*	*				63.7	125.2	86.3	69	0	0	0	0	110.8
296	S	21.2	Very low	22	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	77%	0.772	S	S	*	*			cis	-178.1	173.1	33	32.3	0	0	0	0	108.6
297	E	24.7	Very low	22	Very low	176 Å²	176	132.3 Å²	132.3	82%	0.822	78%	0.777	S	S	*	*			trans	93.1	95.3	165.5	-54.7	178.8	175.5	0	0	114.8
298	E	20.1	Very low	22.2	Very low	171 Å²	171	132 Å²	132	80%	0.799	78%	0.776	S	S	*	*				56.3	121.9	81	-76.7	-165.7	180	0	0	111.6
299	Q	21.2	Very low	22.5	Very low	162 Å²	162	134.3 Å²	134.3	76%	0.757	78%	0.779	S	S	*	*			cis	-176.4	153.5	44.6	-123.7	-179.1	20.5	0	0	111.1
300	V	21.9	Very low	22	Very low	114 Å²	114	135.3 Å²	135.3	69%	0.691	78%	0.784	S	S	*	*			trans	79.7	98.7	147.6	-175.1	0	0	0	0	120.3
301	S	19.8	Very low	22.2	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	78%	0.782	S	S	*	*				50.1	141.2	116.6	111.7	0	0	0	0	119.9
302	C	22.5	Very low	22.7	Very low	119 Å²	119	133 Å²	133	80%	0.804	79%	0.785	S	S	*	*			cis	-156.4	149.2	26.3	-103.1	0	0	0	0	110.7
303	T	18.8	Very low	23	Very low	127 Å²	127	131.2 Å²	131.2	78%	0.779	78%	0.776	S	S	*	*			trans	-62.9	141.4	168.3	35.7	0	0	0	0	114.7
304	T	23.8	Very low	23.5	Very low	144 Å²	144	128.3 Å²	128.3	88%	0.883	77%	0.768	S	S	*	*				-165.5	139.4	121	15.8	0	0	0	0	112.8
305	K	20.4	Very low	23.9	Very low	200 Å²	200	132.1 Å²	132.1	87%	0.87	78%	0.78	S	S	*	*			trans	-52.7	143.6	-176	-61.4	159.3	177.1	178.4	0	115.2
306	S	23.1	Very low	24.2	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	78%	0.783	S	S	*	*				168.9	145.1	104	50.6	0	0	0	0	113.6
307	T	24.5	Very low	24.7	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	78%	0.784	S	S	*	*			trans	63.6	95.1	159.6	52.3	0	0	0	0	119.9	D309	T307-D309 PolarHBondContact O-N 3.25Å
308	T	22.6	Very low	25.1	Very low	131 Å²	131	132.8 Å²	132.8	80%	0.804	78%	0.778	S	S	*	*			trans	-6.7	107.2	138.8	51.8	0	0	0	0	117.2
309	D	28.1	Very low	25.6	Very low	159 Å²	159	133.2 Å²	133.2	85%	0.85	79%	0.785	S	S	*	*			trans	-122.8	125	146.1	-97	-31.8	0	0	0	108.5	T307 S311	T307-D309 PolarHBondContact O-N 3.25Å; D309-S311 PolarHBondContact O-N 3.05Å
310	T	28.3	Very low	26.1	Very low	135 Å²	135	132.4 Å²	132.4	83%	0.828	78%	0.784	S	S	*	*			trans	-72.4	87.8	-167.8	-34.3	0	0	0	0	110.2	V312	T310-V312 PolarHBondContact O-N 2.73Å; T310-V312 VanDerWaalsContact O-N 3.16Å
311	S	26.5	Very low	26.7	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	78%	0.782	S	S	*	*			trans	-73.6	102.4	171.8	63.5	0	0	0	0	110.2	D309	D309-S311 PolarHBondContact O-N 3.05Å
312	V	28.8	Very low	27.8	Very low	126 Å²	126	130 Å²	130	76%	0.764	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67.7	126.8	164.6	177.8	0	0	0	0	108.2	T310	T310-V312 PolarHBondContact O-N 2.73Å; T310-V312 VanDerWaalsContact O-N 3.16Å
313	P	28.1	Very low	29.3	Very low	101 Å²	101	132.3 Å²	132.3	66%	0.656	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-71.2	147	-175.4	27.3	-32.8	0	0	0	111.9	V315	P313-V315 PolarHBondContact O-N 3.2Å
314	P	29	Very low	31.6	Very low	120 Å²	120	128.2 Å²	128.2	78%	0.779	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-70.3	125.7	-172.8	27	-32.6	0	0	0	111.5	K316	P314-K316 PolarHBondContact O-N 3.46Å; P314-K316 VanDerWaalsContact O-N 3.17Å
315	V	29.4	Very low	33.9	Very low	136 Å²	136	126 Å²	126	82%	0.824	73%	0.726	S	S	*	*			trans	-60.3	115	170.6	177.6	0	0	0	0	108.1	P313 S317	P313-V315 PolarHBondContact O-N 3.2Å; V315-S317 VanDerWaalsContact C-N 3.32Å; V315-S317 PolarHBondContact O-N 3.08Å
316	K	26.3	Very low	37	Very low	203 Å²	203	117.3 Å²	117.3	88%	0.883	69%	0.688	S	S	*	*			trans	-63.7	93.2	169.2	-73.2	178.7	177.9	177.1	0	108.2	P314 S318	P314-K316 PolarHBondContact O-N 3.46Å; P314-K316 VanDerWaalsContact O-N 3.17Å; K316-S318 PolarHBondContact O-N 2.93Å
317	S	31.2	Very low	40	Very low	101 Å²	101	113.5 Å²	113.5	71%	0.706	66%	0.662	S	S	*	*			trans	-61.8	106.1	167.5	57.5	0	0	0	0	108.2	V315 L319	V315-S317 VanDerWaalsContact C-N 3.32Å; V315-S317 PolarHBondContact O-N 3.08Å; S317-L319 PolarHBondContact O-N 2.82Å
318	S	32.7	Very low	43.2	Very low	100 Å²	100	108 Å²	108	70%	0.699	63%	0.628	S	S	*	*			trans	-52.4	118.4	166.1	25	0	0	0	0	109	K316 I320	K316-S318 PolarHBondContact O-N 2.93Å; S318-I320 PolarHBondContact O-N 3.35Å
319	L	29.7	Very low	46.4	Very low	179 Å²	179	102.3 Å²	102.3	94%	0.937	59%	0.592	S	S	*	*			trans	-64	79.6	174.5	-76.4	154.2	0	0	0	109.9	S317 S321	S317-L319 PolarHBondContact O-N 2.82Å; L319-S321 PolarHBondContact O-N 3.3Å
320	I	32.1	Very low	49.4	Very low	145 Å²	145	95.9 Å²	95.9	74%	0.744	56%	0.555	S	S	*	*			trans	-72.4	111.9	163.3	-60.2	173.6	0	0	0	105.4	S318 S322	S318-I320 PolarHBondContact O-N 3.35Å; I320-S322 PolarHBondContact O-N 3.04Å
321	S	34.1	Very low	52.4	Low	93 Å²	93	89.7 Å²	89.7	65%	0.65	52%	0.517	S	S	*	.			trans	-52.5	104.3	169.1	179.5	0	0	0	0	108.1	L319 H323	L319-S321 PolarHBondContact O-N 3.3Å; S321-H323 PolarHBondContact O-N 3.08Å
322	S	44.6	Very low	55.5	Low	73 Å²	73	86 Å²	86	51%	0.51	49%	0.488	S	S	.	.			trans	-69.3	82.3	175.5	66.9	0	0	0	0	107.4	I320 V324	I320-S322 PolarHBondContact O-N 3.04Å; S322-V324 VanDerWaalsContact C-N 3.31Å; S322-V324 PolarHBondContact O-N 3.45Å
323	H	53.7	Low	58.4	Low	167 Å²	167	80.1 Å²	80.1	77%	0.773	45%	0.452	S	S	*	.			trans	-62.2	100.4	166.2	-100.9	-82.9	0	0	0	107	S321 Q325	S321-H323 PolarHBondContact O-N 3.08Å; H323-Q325 PolarHBondContact O-N 2.79Å; H323-Q325 VanDerWaalsContact O-N 3.12Å
324	V	67.5	Low	61.4	Low	41 Å²	41	75.9 Å²	75.9	25%	0.248	42%	0.424	C	S	.	.			trans	-67.6	110	175.2	-179.6	0	0	0	0	107.1	M165 S322 Q326 Y391	M165-V324 HydrophobicContact CB-CG1 3.79Å; M165-V324 HydrophobicContact CE-CG1 4.47Å; S322-V324 VanDerWaalsContact C-N 3.31Å; S322-V324 PolarHBondContact O-N 3.45Å; V324-Q326 PolarHBondContact O-N 3.24Å; V324-Y391 HydrophobicContact CB-CD1 4.09Å; V324-Y391 HydrophobicContact CB-CE1 4.37Å; V324-Y391 HydrophobicContact CB-CG 4.18Å; V324-Y391 HydrophobicContact CG1-CD1 3.64Å; V324-Y391 HydrophobicContact CG1-CE1 4.25Å; V324-Y391 HydrophobicContact CG1-CG 3.91Å
325	Q	72.2	Confident	64.3	Low	96 Å²	96	70.5 Å²	70.5	45%	0.449	39%	0.389	S	S	.	.			trans	-73.7	107.2	177.7	-69.4	-178.6	-53.7	0	0	109.4	H323 E377	H323-Q325 PolarHBondContact O-N 2.79Å; H323-Q325 VanDerWaalsContact O-N 3.12Å; Q325-E377 WeakPolarHBondContact CG-OE1 3.31Å; Q325-E377 PolarHBondContact NE2-OE1 3.07Å
326	Q	85	Confident	67	Low	18 Å²	18	66.2 Å²	66.2	8%	0.084	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-77.5	125.1	173.9	-177.5	70.6	9.4	0	0	109.8	V324 E377 C378 F380 Y391	V324-Q326 PolarHBondContact O-N 3.24Å; Q326-E377 CarbonylContact O-C 3.58Å; Q326-E377 VanDerWaalsContact O-CA 3.27Å; Q326-E377 WeakPolarHBondContact O-CA 3.11Å; Q326-C378 HydrophobicContact CG-CB 4.23Å; Q326-C378 PolarHBondContact O-N 3.39Å; Q326-F380 HydrophobicContact CB-CE2 4.24Å; Q326-F380 HydrophobicContact CB-CZ 4.09Å; Q326-F380 HydrophobicContact CG-CE1 3.96Å; Q326-F380 HydrophobicContact CG-CE2 4.02Å; Q326-F380 HydrophobicContact CG-CZ 3.47Å; Q326-F380 VanDerWaalsContact CG-CZ 3.47Å; Q326-Y391 HydrophobicContact CB-CE1 4.46Å
327	S	85.8	Confident	69.7	Low	27 Å²	27	59.1 Å²	59.1	19%	0.189	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-95.8	160.9	173.9	64.2	0	0	0	0	112.4	S168 P169	S168-S327 PolarHBondContact O-OG 3.1Å; P169-S327 WeakPolarHBondContact CA-OG 3.37Å
328	H	91.1	Very high	72.3	Confident	9 Å²	9	57.9 Å²	57.9	4%	0.042	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.8	138.1	172.2	-71	-84.6	0	0	0	111.6	W330 C359 C362 P375 L376 E377 C378	H328-W330 HydrophobicContact CB-CD2 4.25Å; H328-W330 HydrophobicContact CB-CG 4.49Å; H328-W330 HydrophobicContact CB-CZ2 3.89Å; H328-W330 AromaticContact CG-CZ2 3.84Å; H328-C359 HydrophobicContact CB-CB 4.39Å; H328-C359 PolarHBondContact ND1-SG 3.03Å; H328-C362 PolarHBondContact CE1-SG 3.36Å; H328-C362 PolarHBondContact ND1-SG 3.16Å; H328-C362 VanDerWaalsContact ND1-SG 3.41Å; H328-P375 PolarHBondContact CD2-O 3.41Å; H328-P375 PolarHBondContact NE2-O 3.02Å; H328-L376 PolarHBondContact CD2-O 3.05Å; H328-E377 PolarHBondContact NE2-O 3.33Å; H328-C378 HydrophobicContact CB-CB 4.39Å
329	H	90.7	Very high	75	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.046	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-98.5	92.6	170.4	-166.5	111.6	0	0	0	109.3	D153 C154 R331 C359 E360	D153-H329 PolarHBondContact O-NE2 3.33Å; C154-H329 PolarHBondContact O-CE1 3.07Å; H329-R331 PolarHBondContact NE2-NH2 3.39Å; H329-R331 VanDerWaalsContact NE2-NH2 3.19Å; H329-C359 CarbonylContact O-C 3.53Å; H329-C359 WeakPolarHBondContact O-CA 3.36Å; H329-E360 HydrophobicContact CB-CB 4.3Å; H329-E360 PolarHBondContact O-N 3.47Å
330	W	91.2	Very high	78	Confident	24 Å²	24	51.6 Å²	51.6	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.9	-174.7	-65.2	107.3	0	0	0	112.7	H328 L357 R358 C359 V364 A366 I374	H328-W330 HydrophobicContact CB-CD2 4.25Å; H328-W330 HydrophobicContact CB-CG 4.49Å; H328-W330 HydrophobicContact CB-CZ2 3.89Å; H328-W330 AromaticContact CG-CZ2 3.84Å; W330-L357 HydrophobicContact CB-CD2 4.45Å; W330-L357 HydrophobicContact CE3-CB 3.81Å; W330-L357 HydrophobicContact CZ3-CB 4.29Å; W330-R358 CarbonylContact C-O 3.54Å; W330-R358 WeakPolarHBondContact CA-O 3.3Å; W330-C359 HydrophobicContact CE3-CB 4.3Å; W330-C359 HydrophobicContact CZ3-CB 4.2Å; W330-V364 HydrophobicContact CH2-CG1 3.58Å; W330-V364 HydrophobicContact CZ3-CG1 3.89Å; W330-A366 HydrophobicContact CH2-CB 4.47Å; W330-A366 HydrophobicContact CZ3-CB 4.37Å; W330-I374 HydrophobicContact CH2-CD1 3.67Å; W330-I374 HydrophobicContact CH2-CG2 4.22Å; W330-I374 HydrophobicContact CZ2-CB 4.43Å; W330-I374 HydrophobicContact CZ2-CD1 4.32Å; W330-I374 HydrophobicContact CZ2-CG2 4.17Å
331	R	91	Very high	81	Confident	6 Å²	6	44.7 Å²	44.7	2%	0.023	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.7	172.5	-169.4	62.7	57	-169	1.8	110.6	D153 H329 L357 R358 E360	D153-R331 PolarHBondContact O-NH1 3.29Å; D153-R331 PolarHBondContact O-NH2 3.14Å; D153-R331 IonicContact OD1-CZ 3.6Å; D153-R331 IonicContact OD1-NH1 3.91Å; D153-R331 PolarHBondContact OD1-NH1 2.99Å; D153-R331 IonicContact OD1-NH2 3.05Å; D153-R331 IonicContact OD2-NH1 2.71Å; D153-R331 PolarHBondContact OD2-NH1 3.41Å; D153-R331 VanDerWaalsContact OD2-NH1 3.1Å; H329-R331 PolarHBondContact NE2-NH2 3.39Å; H329-R331 VanDerWaalsContact NE2-NH2 3.19Å; R331-L357 CarbonylContact O-C 3.52Å; R331-L357 WeakPolarHBondContact O-CA 3.46Å; R331-R358 PolarHBondContact N-O 2.78Å; R331-R358 PolarHBondContact O-N 2.99Å; R331-E360 HydrophobicContact CB-CG 3.88Å; R331-E360 WeakPolarHBondContact CB-OE1 3.41Å
332	E	90.6	Very high	83.8	Confident	32 Å²	32	41.6 Å²	41.6	15%	0.15	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.6	178.7	158.2	161	-135.4	0	0	113	N121 R124 L354 L357 Y368	N121-E332 PolarHBondContact ND2-O 2.88Å; R124-E332 IonicContact CZ-OE1 3.75Å; R124-E332 IonicContact CZ-OE2 3.63Å; R124-E332 IonicContact NH1-OE1 3.43Å; R124-E332 PolarHBondContact NH1-OE1 2.82Å; R124-E332 IonicContact NH1-OE2 3.78Å; R124-E332 IonicContact NH2-OE1 3.55Å; R124-E332 PolarHBondContact NH2-OE1 2.93Å; R124-E332 IonicContact NH2-OE2 2.82Å; R124-E332 PolarHBondContact NH2-OE2 3.13Å; E332-L354 HydrophobicContact CG-CD2 3.83Å; E332-L354 HydrophobicContact CG-CG 3.94Å; E332-L357 HydrophobicContact CB-CD2 4.35Å; E332-Y368 WeakPolarHBondContact CB-OH 3.28Å; E332-Y368 WeakPolarHBondContact CG-OH 3.4Å; E332-Y368 PolarHBondContact OE1-OH 3.19Å
333	G	90.3	Very high	86.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	21%	0.213	C	C	.	.	S	Bend	trans	64.1	-165	161.8	0	0	0	0	0	115.3	L335 T355 G356	G333-L335 PolarHBondContact O-N 3.2Å; G333-T355 WeakPolarHBondContact CA-O 3.26Å; G333-G356 PolarHBondContact N-O 2.96Å
334	N	91.5	Very high	88.1	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.07	19%	0.191	C	C	.	.			trans	49.6	29.7	-175	-70.4	-47.2	0	0	0	113.2	K118 F119 N121 Y141 L354	K118-N334 HydrophobicContact CD-CB 4.27Å; K118-N334 PolarHBondContact NZ-O 2.89Å; F119-N334 PolarHBondContact N-OD1 3.19Å; F119-N334 PolarHBondContact O-ND2 2.91Å; N121-N334 PolarHBondContact OD1-ND2 2.84Å; N121-N334 VanDerWaalsContact OD1-ND2 3.09Å; Y141-N334 HydrophobicContact CD2-CB 4.32Å; Y141-N334 HydrophobicContact CE2-CB 4.43Å; N334-L354 HydrophobicContact CB-CD1 4.5Å
335	L	90.6	Very high	89.4	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.031	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61	150.8	-176.5	-61.3	-169.9	0	0	0	111.3	G333 C348 W349 R358 T365	G333-L335 PolarHBondContact O-N 3.2Å; L335-C348 WeakPolarHBondContact CD1-O 3.48Å; L335-W349 HydrophobicContact CB-CB 3.98Å; L335-R358 HydrophobicContact CD2-CB 3.59Å; L335-T365 HydrophobicContact CD1-CG2 4.33Å; L335-T365 HydrophobicContact CD2-CG2 4.1Å
336	P	85.1	Confident	90.4	Very high	47 Å²	47	44.2 Å²	44.2	31%	0.305	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-53.9	145	169.6	-25.1	33.5	0	0	0	111.8	N338 S339 W349 I869	P336-N338 PolarHBondContact O-N 2.99Å; P336-S339 WeakPolarHBondContact CD-OG 3.06Å; P336-S339 WeakPolarHBondContact O-CB 3.36Å; P336-S339 PolarHBondContact O-N 2.85Å; P336-S339 VanDerWaalsContact O-N 3.11Å; P336-S339 PolarHBondContact O-OG 2.96Å; P336-W349 WeakPolarHBondContact O-CB 3.36Å; P336-I869 HydrophobicContact CB-CD1 4.25Å
337	V	84.1	Confident	90.6	Very high	54 Å²	54	46.9 Å²	46.9	33%	0.327	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	139.9	174.9	178	0	0	0	0	109.5	S339 W349 T863	V337-S339 VanDerWaalsContact C-N 3.26Å; V337-S339 PolarHBondContact O-N 3Å; V337-W349 HydrophobicContact CB-CZ2 4.18Å; V337-W349 HydrophobicContact CG1-CD2 4.47Å; V337-W349 HydrophobicContact CG1-CE3 4.41Å; V337-W349 HydrophobicContact CG1-CH2 3.72Å; V337-W349 HydrophobicContact CG1-CZ2 3.76Å; V337-W349 HydrophobicContact CG1-CZ3 4.05Å; V337-W349 HydrophobicContact CG2-CZ2 3.9Å; V337-T863 HydrophobicContact CB-CG2 4.36Å; V337-T863 HydrophobicContact CG1-CG2 3.99Å
338	N	84.9	Confident	90.9	Very high	74 Å²	74	45.6 Å²	45.6	40%	0.396	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	13.9	-176.3	-55.2	-35.8	0	0	0	116.1	P336 K340 W349 T863	P336-N338 PolarHBondContact O-N 2.99Å; N338-K340 PolarHBondContact O-N 3.49Å; N338-W349 VanDerWaalsContact N-CE3 3.33Å; N338-T863 PolarHBondContact ND2-OG1 3.41Å; N338-T863 VanDerWaalsContact ND2-OG1 3.08Å
339	S	90.3	Very high	90.8	Very high	14 Å²	14	48.5 Å²	48.5	10%	0.098	24%	0.242	C	C	.	.			trans	-55.7	130.3	174.4	-65.8	0	0	0	0	111.8	P336 V337 T347 C348	P336-S339 WeakPolarHBondContact CD-OG 3.06Å; P336-S339 WeakPolarHBondContact O-CB 3.36Å; P336-S339 PolarHBondContact O-N 2.85Å; P336-S339 VanDerWaalsContact O-N 3.11Å; P336-S339 PolarHBondContact O-OG 2.96Å; V337-S339 VanDerWaalsContact C-N 3.26Å; V337-S339 PolarHBondContact O-N 3Å; S339-T347 WeakPolarHBondContact O-CA 3.43Å; S339-C348 PolarHBondContact O-N 3.42Å; S339-C348 PolarHBondContact O-SG 3.46Å
340	K	91.7	Very high	90.7	Very high	134 Å²	134	49.4 Å²	49.4	58%	0.583	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-109.8	137	179.8	-65.1	-176.3	-179.3	-178	0	110.6	N338 A342 K346 C348 T365	N338-K340 PolarHBondContact O-N 3.49Å; K340-A342 PolarHBondContact O-N 2.95Å; K340-K346 WeakPolarHBondContact CA-O 3.47Å; K340-C348 VanDerWaalsContact C-SG 3.6Å; K340-T365 PolarHBondContact O-OG1 2.98Å
341	C	94.5	Very high	90.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.			trans	-64.3	131.4	176.5	172.2	0	0	0	0	110.5	S343 C344 R345 K346 C348 T365 H367 C370	C341-S343 VanDerWaalsContact C-N 3.28Å; C341-S343 PolarHBondContact O-N 2.82Å; C341-S343 PolarHBondContact SG-N 2.83Å; C341-S343 VanDerWaalsContact SG-N 3.39Å; C341-C344 VanDerWaalsContact CB-SG 3.59Å; C341-C344 PolarHBondContact SG-N 3.38Å; C341-R345 WeakPolarHBondContact O-CA 3.38Å; C341-R345 PolarHBondContact O-N 2.87Å; C341-K346 PolarHBondContact N-O 2.79Å; C341-C348 HydrophobicContact CB-CB 4.11Å; C341-C348 PolarHBondContact N-SG 3.09Å; C341-T365 CarbonylContact C-O 3.58Å; C341-T365 VanDerWaalsContact CA-O 3.32Å; C341-T365 WeakPolarHBondContact CA-O 3.37Å; C341-H367 WeakPolarHBondContact CB-ND1 3.39Å; C341-C370 WeakPolarHBondContact SG-CB 3.49Å
342	A	93.7	Very high	90.4	Very high	27 Å²	27	55.3 Å²	55.3	22%	0.223	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.8	179.1	0	0	0	0	0	113.7	K340 R345 V364 T365 I374	K340-A342 PolarHBondContact O-N 2.95Å; A342-R345 VanDerWaalsContact O-CZ 3.28Å; A342-R345 PolarHBondContact O-NE 2.77Å; A342-V364 HydrophobicContact CB-CG2 3.27Å; A342-T365 PolarHBondContact N-O 3.25Å; A342-I374 HydrophobicContact CB-CD1 4.12Å
343	S	94.7	Very high	90.4	Very high	47 Å²	47	54 Å²	54	33%	0.329	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-58.1	177.6	172.6	0	0	0	0	112.2	C341 N373	C341-S343 VanDerWaalsContact C-N 3.28Å; C341-S343 PolarHBondContact O-N 2.82Å; C341-S343 PolarHBondContact SG-N 2.83Å; C341-S343 VanDerWaalsContact SG-N 3.39Å; S343-N373 WeakPolarHBondContact OG-CB 3.44Å; S343-N373 PolarHBondContact OG-ND2 3.34Å
344	C	94.3	Very high	90.5	Very high	48 Å²	48	53.9 Å²	53.9	32%	0.324	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.4	-172.6	78.2	0	0	0	0	115.1	C341 K346 H367	C341-C344 VanDerWaalsContact CB-SG 3.59Å; C341-C344 PolarHBondContact SG-N 3.38Å; C344-K346 PolarHBondContact O-N 3.19Å; C344-H367 PolarHBondContact SG-CE1 3.06Å; C344-H367 PolarHBondContact SG-ND1 3.34Å
345	R	94.6	Very high	90.5	Very high	187 Å²	187	53.4 Å²	53.4	71%	0.706	28%	0.275	S	S	*	.			trans	62.9	0.2	-178.4	-49.5	-59.3	-177.7	174.1	-2	116.5	C341 A342	C341-R345 WeakPolarHBondContact O-CA 3.38Å; C341-R345 PolarHBondContact O-N 2.87Å; A342-R345 VanDerWaalsContact O-CZ 3.28Å; A342-R345 PolarHBondContact O-NE 2.77Å
346	K	92.2	Very high	90.6	Very high	150 Å²	150	53.1 Å²	53.1	65%	0.652	27%	0.274	S	S	*	.	S	Bend	trans	-79.4	159.4	173.6	-58.8	179	-178.3	179.2	0	111.7	K340 C341 C344 C348	K340-K346 WeakPolarHBondContact CA-O 3.47Å; C341-K346 PolarHBondContact N-O 2.79Å; C344-K346 PolarHBondContact O-N 3.19Å; K346-C348 PolarHBondContact O-N 2.95Å
347	T	90.5	Very high	91	Very high	74 Å²	74	51 Å²	51	45%	0.454	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-60	128.8	175.6	-54.7	0	0	0	0	110.8	S339 W349 H367	S339-T347 WeakPolarHBondContact O-CA 3.43Å; T347-W349 HydrophobicContact CG2-CE3 3.86Å; T347-H367 PolarHBondContact O-CE1 3.49Å; T347-H367 PolarHBondContact O-NE2 2.76Å
348	C	91.2	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.			trans	-118.4	-1.2	178.9	62	0	0	0	0	113.8	L335 S339 K340 C341 K346 H367	L335-C348 WeakPolarHBondContact CD1-O 3.48Å; S339-C348 PolarHBondContact O-N 3.42Å; S339-C348 PolarHBondContact O-SG 3.46Å; K340-C348 VanDerWaalsContact C-SG 3.6Å; C341-C348 HydrophobicContact CB-CB 4.11Å; C341-C348 PolarHBondContact N-SG 3.09Å; K346-C348 PolarHBondContact O-N 2.95Å; C348-H367 VanDerWaalsContact CA-NE2 3.32Å; C348-H367 WeakPolarHBondContact CA-NE2 3.44Å; C348-H367 VanDerWaalsContact CB-CD2 3.47Å; C348-H367 WeakPolarHBondContact CB-CD2 3.37Å; C348-H367 WeakPolarHBondContact CB-NE2 3.24Å
349	W	89.5	Confident	91.7	Very high	71 Å²	71	46 Å²	46	27%	0.269	23%	0.229	S	C	.	.			trans	-85.6	152.2	169.4	150.4	81.2	0	0	0	111.3	L335 P336 V337 N338 T347 A351	L335-W349 HydrophobicContact CB-CB 3.98Å; P336-W349 WeakPolarHBondContact O-CB 3.36Å; V337-W349 HydrophobicContact CB-CZ2 4.18Å; V337-W349 HydrophobicContact CG1-CD2 4.47Å; V337-W349 HydrophobicContact CG1-CE3 4.41Å; V337-W349 HydrophobicContact CG1-CH2 3.72Å; V337-W349 HydrophobicContact CG1-CZ2 3.76Å; V337-W349 HydrophobicContact CG1-CZ3 4.05Å; V337-W349 HydrophobicContact CG2-CZ2 3.9Å; N338-W349 VanDerWaalsContact N-CE3 3.33Å; T347-W349 HydrophobicContact CG2-CE3 3.86Å; W349-A351 HydrophobicContact CZ2-CB 3.9Å
350	S	88.7	Confident	91.8	Very high	28 Å²	28	46 Å²	46	20%	0.196	23%	0.228	C	C	.	.			trans	-138.9	142.2	169.7	-177.7	0	0	0	0	111	E352 C353 T355	S350-E352 PolarHBondContact OG-N 3.21Å; S350-C353 PolarHBondContact OG-N 3.09Å; S350-T355 VanDerWaalsContact CB-CG2 3.46Å
351	A	87.6	Confident	91.7	Very high	33 Å²	33	40 Å²	40	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-86.5	-12.3	166.6	0	0	0	0	0	112.7	F119 R126 W349	F119-A351 WeakPolarHBondContact CZ-O 3.49Å; R126-A351 PolarHBondContact NH2-O 3.45Å; W349-A351 HydrophobicContact CZ2-CB 3.9Å
352	E	88	Confident	91.5	Very high	121 Å²	121	41.1 Å²	41.1	57%	0.565	21%	0.209	S	C	*	.	S	Bend	trans	-97.9	-21.9	-172.8	-60.3	-50	139.7	0	0	113.3	T55 F119 R126 S350	T55-E352 HydrophobicContact CG2-CB 4.33Å; F119-E352 WeakPolarHBondContact CZ-O 3.48Å; R126-E352 IonicContact NH2-OE1 3.4Å; R126-E352 IonicContact NH2-OE2 3.62Å; R126-E352 PolarHBondContact NH2-OE2 2.82Å; S350-E352 PolarHBondContact OG-N 3.21Å
353	C	90.1	Very high	91.3	Very high	4 Å²	4	42 Å²	42	3%	0.027	22%	0.22	C	C	.	.	S	Bend	trans	-153.6	163	179.5	67.5	0	0	0	0	113.7	T55 H57 S350 T355	T55-C353 WeakPolarHBondContact OG1-CB 3.49Å; T55-C353 PolarHBondContact OG1-SG 2.9Å; H57-C353 WeakPolarHBondContact CD2-CB 3.48Å; S350-C353 PolarHBondContact OG-N 3.09Å; C353-T355 PolarHBondContact O-N 2.97Å
354	L	92.6	Very high	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.			trans	-76.2	97.8	170.2	-169.5	78.3	0	0	0	109.4	F119 R124 E332 N334	F119-L354 HydrophobicContact CB-CB 3.95Å; F119-L354 HydrophobicContact CB-CD1 3.81Å; F119-L354 HydrophobicContact CB-CG 4.41Å; F119-L354 HydrophobicContact CG-CB 4.25Å; R124-L354 HydrophobicContact CG-CD2 4.03Å; E332-L354 HydrophobicContact CG-CD2 3.83Å; E332-L354 HydrophobicContact CG-CG 3.94Å; N334-L354 HydrophobicContact CB-CD1 4.5Å
355	T	91.7	Very high	91.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.204	C	C	.	.			trans	-140.2	160.1	-179.2	-171.7	0	0	0	0	112.6	H57 S60 G333 S350 C353	H57-T355 PolarHBondContact O-OG1 2.86Å; H57-T355 VanDerWaalsContact O-OG1 3.08Å; S60-T355 WeakPolarHBondContact OG-CG2 3.09Å; S60-T355 PolarHBondContact OG-OG1 2.94Å; G333-T355 WeakPolarHBondContact CA-O 3.26Å; S350-T355 VanDerWaalsContact CB-CG2 3.46Å; C353-T355 PolarHBondContact O-N 2.97Å
356	G	92.7	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.			trans	80.2	169.3	179.1	0	0	0	0	0	113.2	G333 A366 Y368	G333-G356 PolarHBondContact N-O 2.96Å; G356-A366 CarbonylContact C-O 3.57Å; G356-A366 WeakPolarHBondContact CA-O 3.4Å; G356-Y368 PolarHBondContact O-OH 3.16Å
357	L	93.4	Very high	91.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.3	-175.7	-68.8	170.7	0	0	0	110.3	I172 W330 R331 E332 T365 A366 Y368 Y371	I172-L357 HydrophobicContact CD1-CD1 3.69Å; I172-L357 HydrophobicContact CD1-CD2 3.92Å; I172-L357 HydrophobicContact CD1-CG 4.39Å; W330-L357 HydrophobicContact CB-CD2 4.45Å; W330-L357 HydrophobicContact CE3-CB 3.81Å; W330-L357 HydrophobicContact CZ3-CB 4.29Å; R331-L357 CarbonylContact O-C 3.52Å; R331-L357 WeakPolarHBondContact O-CA 3.46Å; E332-L357 HydrophobicContact CB-CD2 4.35Å; L357-T365 CarbonylContact O-C 3.6Å; L357-T365 WeakPolarHBondContact O-CA 3.24Å; L357-A366 PolarHBondContact N-O 2.84Å; L357-A366 PolarHBondContact O-N 3.16Å; L357-Y368 HydrophobicContact CD1-CD1 3.77Å; L357-Y368 HydrophobicContact CD1-CE1 3.89Å; L357-Y368 HydrophobicContact CD2-CD1 4.27Å; L357-Y368 HydrophobicContact CD2-CE1 3.51Å; L357-Y368 HydrophobicContact CG-CD1 3.86Å; L357-Y368 HydrophobicContact CG-CE1 3.52Å; L357-Y371 HydrophobicContact CD1-CD1 4.03Å; L357-Y371 HydrophobicContact CD1-CG 3.86Å
358	R	92.2	Very high	91.2	Very high	21 Å²	21	21.1 Å²	21.1	8%	0.079	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.2	171.8	-176.5	178	62.5	-124.7	0.1	110.6	E139 W330 R331 L335 E360 V364 T365	E139-R358 IonicContact OE2-NH2 3.68Å; W330-R358 CarbonylContact C-O 3.54Å; W330-R358 WeakPolarHBondContact CA-O 3.3Å; R331-R358 PolarHBondContact N-O 2.78Å; R331-R358 PolarHBondContact O-N 2.99Å; L335-R358 HydrophobicContact CD2-CB 3.59Å; R358-E360 IonicContact CZ-OE1 3.67Å; R358-E360 IonicContact NE-OE1 3.05Å; R358-E360 PolarHBondContact NE-OE1 3.42Å; R358-E360 VanDerWaalsContact NE-OE1 3.12Å; R358-E360 IonicContact NH2-OE1 3.59Å; R358-E360 PolarHBondContact NH2-OE1 3.46Å; R358-V364 CarbonylContact C-O 3.5Å; R358-V364 VanDerWaalsContact CA-O 3.31Å; R358-V364 WeakPolarHBondContact CA-O 3.49Å; R358-T365 HydrophobicContact CB-CG2 4.04Å; R358-T365 HydrophobicContact CG-CG2 4.01Å
359	C	92.7	Very high	91	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.7	167.7	-178.6	0	0	0	0	110.3	H328 H329 W330 W361 C362 G363 V364	H328-C359 HydrophobicContact CB-CB 4.39Å; H328-C359 PolarHBondContact ND1-SG 3.03Å; H329-C359 CarbonylContact O-C 3.53Å; H329-C359 WeakPolarHBondContact O-CA 3.36Å; W330-C359 HydrophobicContact CE3-CB 4.3Å; W330-C359 HydrophobicContact CZ3-CB 4.2Å; C359-W361 PolarHBondContact O-N 2.88Å; C359-W361 PolarHBondContact SG-N 2.78Å; C359-W361 VanDerWaalsContact SG-N 3.41Å; C359-C362 VanDerWaalsContact CB-SG 3.51Å; C359-G363 WeakPolarHBondContact O-CA 3.19Å; C359-G363 PolarHBondContact O-N 2.87Å; C359-V364 HydrophobicContact CB-CG1 3.79Å; C359-V364 PolarHBondContact N-O 2.79Å
360	E	91	Very high	91.1	Very high	14 Å²	14	21.9 Å²	21.9	7%	0.065	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.1	178.3	-63.7	-61	131.4	0	0	113.8	C138 K155 H329 R331 R358	C138-E360 WeakPolarHBondContact CA-OE2 3.19Å; C138-E360 HydrophobicContact CB-CG 4.28Å; K155-E360 HydrophobicContact CB-CB 4.42Å; K155-E360 HydrophobicContact CD-CB 4.17Å; K155-E360 WeakPolarHBondContact CE-O 3.48Å; K155-E360 HydrophobicContact CG-CB 4.15Å; K155-E360 PolarHBondContact NZ-O 2.85Å; K155-E360 VanDerWaalsContact NZ-O 3.1Å; H329-E360 HydrophobicContact CB-CB 4.3Å; H329-E360 PolarHBondContact O-N 3.47Å; R331-E360 HydrophobicContact CB-CG 3.88Å; R331-E360 WeakPolarHBondContact CB-OE1 3.41Å; R358-E360 IonicContact CZ-OE1 3.67Å; R358-E360 IonicContact NE-OE1 3.05Å; R358-E360 PolarHBondContact NE-OE1 3.42Å; R358-E360 VanDerWaalsContact NE-OE1 3.12Å; R358-E360 IonicContact NH2-OE1 3.59Å; R358-E360 PolarHBondContact NH2-OE1 3.46Å
361	W	90.5	Very high	91.1	Very high	9 Å²	9	21 Å²	21	3%	0.034	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-60.6	175.4	-69.8	115	0	0	0	112.8	K155 Q156 C359 F380 M387 P390 N768	K155-W361 HydrophobicContact CD-CH2 4.34Å; K155-W361 HydrophobicContact CD-CZ2 4.27Å; K155-W361 HydrophobicContact CG-CH2 4.28Å; K155-W361 HydrophobicContact CG-CZ2 3.77Å; Q156-W361 VanDerWaalsContact O-CZ2 3.24Å; Q156-W361 WeakPolarHBondContact O-CZ2 3.19Å; C359-W361 PolarHBondContact O-N 2.88Å; C359-W361 PolarHBondContact SG-N 2.78Å; C359-W361 VanDerWaalsContact SG-N 3.41Å; W361-F380 HydrophobicContact CB-CD1 4.01Å; W361-F380 HydrophobicContact CB-CE1 4.45Å; W361-F380 HydrophobicContact CD2-CD1 4.19Å; W361-F380 AromaticContact CD2-CE1 4Å; W361-F380 HydrophobicContact CD2-CE1 4Å; W361-F380 AromaticContact CE3-CD1 3.9Å; W361-F380 HydrophobicContact CE3-CD1 3.9Å; W361-F380 AromaticContact CE3-CE1 3.86Å; W361-F380 HydrophobicContact CE3-CE1 3.86Å; W361-F380 HydrophobicContact CG-CD1 4.26Å; W361-F380 HydrophobicContact CG-CE1 4.25Å; W361-F380 HydrophobicContact CZ3-CE1 4.46Å; W361-M387 HydrophobicContact CE3-CE 4.18Å; W361-M387 HydrophobicContact CE3-SD 4.02Å; W361-M387 HydrophobicContact CZ3-CE 4.46Å; W361-M387 HydrophobicContact CZ3-SD 3.78Å; W361-P390 HydrophobicContact CH2-CB 4.33Å; W361-P390 HydrophobicContact CH2-CG 4.05Å; W361-P390 HydrophobicContact CZ2-CB 4.19Å; W361-P390 HydrophobicContact CZ2-CG 3.73Å; W361-N768 HydrophobicContact CZ3-CB 4.34Å
362	C	90.4	Very high	91.2	Very high	24 Å²	24	26.5 Å²	26.5	16%	0.162	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.1	-176.8	65.5	0	0	0	0	114.2	H328 C359 V364 C378 G381	H328-C362 PolarHBondContact CE1-SG 3.36Å; H328-C362 PolarHBondContact ND1-SG 3.16Å; H328-C362 VanDerWaalsContact ND1-SG 3.41Å; C359-C362 VanDerWaalsContact CB-SG 3.51Å; C362-V364 PolarHBondContact O-N 2.82Å; C362-V364 VanDerWaalsContact O-N 3.14Å; C362-V364 WeakPolarHBondContact SG-CG1 3.45Å; C362-C378 VanDerWaalsContact SG-SG 3.68Å; C362-G381 VanDerWaalsContact CB-N 3.29Å
363	G	89.3	Confident	91.4	Very high	44 Å²	44	26.2 Å²	26.2	45%	0.454	15%	0.146	S	C	.	.			trans	71.8	0.1	-179.7	0	0	0	0	0	115	C359 T365	C359-G363 WeakPolarHBondContact O-CA 3.19Å; C359-G363 PolarHBondContact O-N 2.87Å; G363-T365 PolarHBondContact O-N 2.86Å
364	V	92.7	Very high	91.5	Very high	36 Å²	36	27.1 Å²	27.1	22%	0.218	15%	0.15	C	C	.	.			trans	-60.2	136.8	179.8	77.5	0	0	0	0	110.5	W330 A342 R358 C359 C362	W330-V364 HydrophobicContact CH2-CG1 3.58Å; W330-V364 HydrophobicContact CZ3-CG1 3.89Å; A342-V364 HydrophobicContact CB-CG2 3.27Å; R358-V364 CarbonylContact C-O 3.5Å; R358-V364 VanDerWaalsContact CA-O 3.31Å; R358-V364 WeakPolarHBondContact CA-O 3.49Å; C359-V364 HydrophobicContact CB-CG1 3.79Å; C359-V364 PolarHBondContact N-O 2.79Å; C362-V364 PolarHBondContact O-N 2.82Å; C362-V364 VanDerWaalsContact O-N 3.14Å; C362-V364 WeakPolarHBondContact SG-CG1 3.45Å
365	T	94.6	Very high	91.5	Very high	15 Å²	15	31.7 Å²	31.7	9%	0.092	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.8	178.4	53.7	0	0	0	0	112.5	L335 K340 C341 A342 L357 R358 G363	L335-T365 HydrophobicContact CD1-CG2 4.33Å; L335-T365 HydrophobicContact CD2-CG2 4.1Å; K340-T365 PolarHBondContact O-OG1 2.98Å; C341-T365 CarbonylContact C-O 3.58Å; C341-T365 VanDerWaalsContact CA-O 3.32Å; C341-T365 WeakPolarHBondContact CA-O 3.37Å; A342-T365 PolarHBondContact N-O 3.25Å; L357-T365 CarbonylContact O-C 3.6Å; L357-T365 WeakPolarHBondContact O-CA 3.24Å; R358-T365 HydrophobicContact CB-CG2 4.04Å; R358-T365 HydrophobicContact CG-CG2 4.01Å; G363-T365 PolarHBondContact O-N 2.86Å
366	A	94.4	Very high	91.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.2	-179	0	0	0	0	0	113.1	W330 G356 L357 I374	W330-A366 HydrophobicContact CH2-CB 4.47Å; W330-A366 HydrophobicContact CZ3-CB 4.37Å; G356-A366 CarbonylContact C-O 3.57Å; G356-A366 WeakPolarHBondContact CA-O 3.4Å; L357-A366 PolarHBondContact N-O 2.84Å; L357-A366 PolarHBondContact O-N 3.16Å; A366-I374 HydrophobicContact CB-CD1 3.45Å; A366-I374 VanDerWaalsContact CB-CD1 3.45Å
367	H	92.6	Very high	91.2	Very high	16 Å²	16	41.6 Å²	41.6	7%	0.074	23%	0.229	C	C	.	.			trans	-71.5	158.4	161.2	-59.1	101.3	0	0	0	110.8	C341 C344 T347 C348 S369 C370 Y371	C341-H367 WeakPolarHBondContact CB-ND1 3.39Å; C344-H367 PolarHBondContact SG-CE1 3.06Å; C344-H367 PolarHBondContact SG-ND1 3.34Å; T347-H367 PolarHBondContact O-CE1 3.49Å; T347-H367 PolarHBondContact O-NE2 2.76Å; C348-H367 VanDerWaalsContact CA-NE2 3.32Å; C348-H367 WeakPolarHBondContact CA-NE2 3.44Å; C348-H367 VanDerWaalsContact CB-CD2 3.47Å; C348-H367 WeakPolarHBondContact CB-CD2 3.37Å; C348-H367 WeakPolarHBondContact CB-NE2 3.24Å; H367-S369 VanDerWaalsContact C-N 3.28Å; H367-S369 PolarHBondContact O-N 3.04Å; H367-C370 HydrophobicContact CB-CB 4Å; H367-C370 PolarHBondContact O-N 2.94Å; H367-Y371 PolarHBondContact O-N 2.81Å
368	Y	89.7	Confident	91.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.3	174.6	-74.3	-61.8	0	0	0	114.8	H57 H58 V90 T91 I172 E332 G356 L357 C370 Y371	H57-Y368 VanDerWaalsContact O-CD2 3.23Å; H57-Y368 WeakPolarHBondContact O-CD2 3.33Å; H57-Y368 WeakPolarHBondContact O-CE2 3.16Å; H58-Y368 WeakPolarHBondContact O-CD2 3.22Å; V90-Y368 HydrophobicContact CG2-CD1 3.66Å; V90-Y368 HydrophobicContact CG2-CG 4.26Å; T91-Y368 HydrophobicContact CG2-CD1 3.67Å; T91-Y368 HydrophobicContact CG2-CE1 3Å; T91-Y368 HydrophobicContact CG2-CE2 4.22Å; T91-Y368 WeakPolarHBondContact CG2-OH 3.34Å; I172-Y368 HydrophobicContact CD1-CD1 4.22Å; I172-Y368 HydrophobicContact CD1-CE1 4.15Å; E332-Y368 WeakPolarHBondContact CB-OH 3.28Å; E332-Y368 WeakPolarHBondContact CG-OH 3.4Å; E332-Y368 PolarHBondContact OE1-OH 3.19Å; G356-Y368 PolarHBondContact O-OH 3.16Å; L357-Y368 HydrophobicContact CD1-CD1 3.77Å; L357-Y368 HydrophobicContact CD1-CE1 3.89Å; L357-Y368 HydrophobicContact CD2-CD1 4.27Å; L357-Y368 HydrophobicContact CD2-CE1 3.51Å; L357-Y368 HydrophobicContact CG-CD1 3.86Å; L357-Y368 HydrophobicContact CG-CE1 3.52Å; Y368-C370 VanDerWaalsContact C-N 3.29Å; Y368-Y371 WeakPolarHBondContact O-CD1 3.36Å
369	S	86.7	Confident	91.1	Very high	72 Å²	72	45.5 Å²	45.5	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16	175.8	51	0	0	0	0	112.7	H367	H367-S369 VanDerWaalsContact C-N 3.28Å; H367-S369 PolarHBondContact O-N 3.04Å
370	C	91.7	Very high	91	Very high	15 Å²	15	45.9 Å²	45.9	10%	0.101	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-20.5	-171.3	-68.7	0	0	0	0	114.2	C341 H367 Y368 R372 N373	C341-C370 WeakPolarHBondContact SG-CB 3.49Å; H367-C370 HydrophobicContact CB-CB 4Å; H367-C370 PolarHBondContact O-N 2.94Å; Y368-C370 VanDerWaalsContact C-N 3.29Å; C370-R372 PolarHBondContact O-N 3.17Å; C370-N373 WeakPolarHBondContact O-CB 3.46Å; C370-N373 PolarHBondContact O-N 3.17Å
371	Y	88.9	Confident	90.9	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.039	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.7	-30	-174	88.2	-77.8	0	0	0	113	V90 L357 H367 Y368 N373 I374	V90-Y371 HydrophobicContact CB-CE1 4.34Å; V90-Y371 HydrophobicContact CG1-CE1 4.17Å; V90-Y371 HydrophobicContact CG2-CE1 4.03Å; L357-Y371 HydrophobicContact CD1-CD1 4.03Å; L357-Y371 HydrophobicContact CD1-CG 3.86Å; H367-Y371 PolarHBondContact O-N 2.81Å; Y368-Y371 WeakPolarHBondContact O-CD1 3.36Å; Y371-N373 PolarHBondContact O-N 2.82Å; Y371-N373 VanDerWaalsContact O-N 3.16Å; Y371-I374 WeakPolarHBondContact O-CB 3.2Å; Y371-I374 PolarHBondContact O-N 3.15Å
372	R	88.3	Confident	90.6	Very high	149 Å²	149	50.2 Å²	50.2	56%	0.562	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.3	-17.9	175.7	-67.1	-176.7	169.4	-178.2	-12.4	113.8	D174 C370 I374	D174-R372 IonicContact OD1-CZ 3.9Å; D174-R372 IonicContact OD1-NH2 2.95Å; D174-R372 PolarHBondContact OD1-NH2 2.8Å; C370-R372 PolarHBondContact O-N 3.17Å; R372-I374 VanDerWaalsContact C-N 3.35Å
373	N	92.5	Very high	90.4	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-91.2	0.1	176.1	-57	-27.4	0	0	0	112.5	S343 C370 Y371	S343-N373 WeakPolarHBondContact OG-CB 3.44Å; S343-N373 PolarHBondContact OG-ND2 3.34Å; C370-N373 WeakPolarHBondContact O-CB 3.46Å; C370-N373 PolarHBondContact O-N 3.17Å; Y371-N373 PolarHBondContact O-N 2.82Å; Y371-N373 VanDerWaalsContact O-N 3.16Å
374	I	92.3	Very high	90.5	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.118	27%	0.274	C	S	.	.	S	Bend	trans	-91.7	141.6	174.8	-61.1	178.6	0	0	0	107.4	W330 A342 A366 Y371 R372	W330-I374 HydrophobicContact CH2-CD1 3.67Å; W330-I374 HydrophobicContact CH2-CG2 4.22Å; W330-I374 HydrophobicContact CZ2-CB 4.43Å; W330-I374 HydrophobicContact CZ2-CD1 4.32Å; W330-I374 HydrophobicContact CZ2-CG2 4.17Å; A342-I374 HydrophobicContact CB-CD1 4.12Å; A366-I374 HydrophobicContact CB-CD1 3.45Å; A366-I374 VanDerWaalsContact CB-CD1 3.45Å; Y371-I374 WeakPolarHBondContact O-CB 3.2Å; Y371-I374 PolarHBondContact O-N 3.15Å; R372-I374 VanDerWaalsContact C-N 3.35Å
375	P	92.6	Very high	90.3	Very high	96 Å²	96	53.1 Å²	53.1	62%	0.623	28%	0.283	S	S	*	.			trans	-49.1	145.3	174.6	-28.5	36	0	0	0	112.4	H328 E377	H328-P375 PolarHBondContact CD2-O 3.41Å; H328-P375 PolarHBondContact NE2-O 3.02Å; P375-E377 VanDerWaalsContact C-N 3.31Å
376	L	88.9	Confident	90.2	Very high	104 Å²	104	52.4 Å²	52.4	55%	0.545	28%	0.278	S	S	.	.	S	Bend	trans	-67.4	-36.8	179.1	-174.7	66.3	0	0	0	111.7	P169 H328	P169-L376 HydrophobicContact CB-CD1 3.74Å; P169-L376 HydrophobicContact CG-CD1 3.67Å; H328-L376 PolarHBondContact CD2-O 3.05Å
377	E	90.5	Very high	90.1	Very high	107 Å²	107	52.4 Å²	52.4	50%	0.5	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-82.1	131.1	-178	-64	-176.5	176	0	0	111.6	Q325 Q326 H328 P375	Q325-E377 WeakPolarHBondContact CG-OE1 3.31Å; Q325-E377 PolarHBondContact NE2-OE1 3.07Å; Q326-E377 CarbonylContact O-C 3.58Å; Q326-E377 VanDerWaalsContact O-CA 3.27Å; Q326-E377 WeakPolarHBondContact O-CA 3.11Å; H328-E377 PolarHBondContact NE2-O 3.33Å; P375-E377 VanDerWaalsContact C-N 3.31Å
378	C	91.8	Very high	90.1	Very high	7 Å²	7	51.7 Å²	51.7	5%	0.047	28%	0.275	C	S	.	.			trans	-91.2	123.3	173.8	-175.3	0	0	0	0	110.5	Q326 H328 C362 F380	Q326-C378 HydrophobicContact CG-CB 4.23Å; Q326-C378 PolarHBondContact O-N 3.39Å; H328-C378 HydrophobicContact CB-CB 4.39Å; C362-C378 VanDerWaalsContact SG-SG 3.68Å; C378-F380 VanDerWaalsContact C-N 3.3Å; C378-F380 PolarHBondContact O-N 3.25Å; C378-F380 PolarHBondContact SG-N 2.84Å; C378-F380 VanDerWaalsContact SG-N 3.44Å
379	D	90.3	Very high	90.2	Very high	98 Å²	98	51.7 Å²	51.7	52%	0.524	28%	0.275	S	S	.	.			trans	-86.9	7.3	176.5	66.8	-11.2	0	0	0	113.8	G381 R384	D379-G381 PolarHBondContact O-N 3.31Å; D379-G381 VanDerWaalsContact O-N 3.08Å; D379-G381 WeakPolarHBondContact OD1-CA 3.44Å; D379-G381 PolarHBondContact OD1-N 3.45Å; D379-R384 VanDerWaalsContact O-CB 3.27Å; D379-R384 WeakPolarHBondContact O-CB 3.03Å; D379-R384 WeakPolarHBondContact O-CD 3.27Å; D379-R384 WeakPolarHBondContact O-CG 3.08Å
380	F	90.7	Very high	90.4	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	25%	0.251	C	S	.	.			trans	59.6	7.2	-170	-54.4	-82.6	0	0	0	115.3	Q326 W361 C378 R384 M387 P389	Q326-F380 HydrophobicContact CB-CE2 4.24Å; Q326-F380 HydrophobicContact CB-CZ 4.09Å; Q326-F380 HydrophobicContact CG-CE1 3.96Å; Q326-F380 HydrophobicContact CG-CE2 4.02Å; Q326-F380 HydrophobicContact CG-CZ 3.47Å; Q326-F380 VanDerWaalsContact CG-CZ 3.47Å; W361-F380 HydrophobicContact CB-CD1 4.01Å; W361-F380 HydrophobicContact CB-CE1 4.45Å; W361-F380 HydrophobicContact CD2-CD1 4.19Å; W361-F380 AromaticContact CD2-CE1 4Å; W361-F380 HydrophobicContact CD2-CE1 4Å; W361-F380 AromaticContact CE3-CD1 3.9Å; W361-F380 HydrophobicContact CE3-CD1 3.9Å; W361-F380 AromaticContact CE3-CE1 3.86Å; W361-F380 HydrophobicContact CE3-CE1 3.86Å; W361-F380 HydrophobicContact CG-CD1 4.26Å; W361-F380 HydrophobicContact CG-CE1 4.25Å; W361-F380 HydrophobicContact CZ3-CE1 4.46Å; C378-F380 VanDerWaalsContact C-N 3.3Å; C378-F380 PolarHBondContact O-N 3.25Å; C378-F380 PolarHBondContact SG-N 2.84Å; C378-F380 VanDerWaalsContact SG-N 3.44Å; F380-R384 HydrophobicContact CB-CB 4.13Å; F380-R384 HydrophobicContact CB-CG 4.44Å; F380-M387 HydrophobicContact CB-CB 4.4Å; F380-M387 HydrophobicContact CB-CG 4.36Å; F380-M387 HydrophobicContact CD1-CG 3.65Å; F380-M387 HydrophobicContact CE1-CG 4.09Å; F380-M387 HydrophobicContact CG-CB 4.45Å; F380-M387 HydrophobicContact CG-CG 4.05Å; F380-P389 HydrophobicContact CE2-CB 4.2Å; F380-P389 HydrophobicContact CE2-CG 4.24Å; F380-P389 HydrophobicContact CZ-CB 3.74Å; F380-P389 HydrophobicContact CZ-CG 4.22Å
381	G	89	Confident	90.1	Very high	24 Å²	24	49.1 Å²	49.1	25%	0.247	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	54.8	-140.1	177.6	0	0	0	0	0	113.3	C362 D379 L383 R384	C362-G381 VanDerWaalsContact CB-N 3.29Å; D379-G381 PolarHBondContact O-N 3.31Å; D379-G381 VanDerWaalsContact O-N 3.08Å; D379-G381 WeakPolarHBondContact OD1-CA 3.44Å; D379-G381 PolarHBondContact OD1-N 3.45Å; G381-L383 PolarHBondContact O-N 3.35Å; G381-L383 VanDerWaalsContact O-N 3.13Å; G381-R384 WeakPolarHBondContact O-CB 3.41Å; G381-R384 PolarHBondContact O-N 3.02Å; G381-R384 VanDerWaalsContact O-N 3.17Å
382	V	84	Confident	90.2	Very high	90 Å²	90	48.7 Å²	48.7	55%	0.545	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.2	-15.8	-172.2	-57.9	0	0	0	0	114.4	V876 N880	V382-V876 HydrophobicContact CG2-CG1 4.34Å; V382-N880 VanDerWaalsContact O-CG 3.3Å; V382-N880 PolarHBondContact O-OD1 3.35Å; V382-N880 VanDerWaalsContact O-OD1 3.09Å
383	L	87.7	Confident	90.2	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.058	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-97.4	2.1	-179.8	-58.2	176.3	0	0	0	112.7	G381 N385 I386 M387 L766 L767 V879 N880	G381-L383 PolarHBondContact O-N 3.35Å; G381-L383 VanDerWaalsContact O-N 3.13Å; L383-N385 VanDerWaalsContact C-N 3.29Å; L383-N385 PolarHBondContact O-N 3.15Å; L383-N385 VanDerWaalsContact O-N 3.14Å; L383-I386 HydrophobicContact CB-CG1 4.38Å; L383-I386 HydrophobicContact CD2-CD1 4.07Å; L383-I386 WeakPolarHBondContact O-CG1 3.33Å; L383-I386 PolarHBondContact O-N 3.04Å; L383-I386 VanDerWaalsContact O-N 3.08Å; L383-M387 HydrophobicContact CB-CE 4.2Å; L383-M387 WeakPolarHBondContact O-CB 3.16Å; L383-M387 PolarHBondContact O-N 3.5Å; L383-L766 HydrophobicContact CD1-CB 3.95Å; L383-L766 HydrophobicContact CD1-CD2 4.34Å; L383-L766 VanDerWaalsContact CD1-O 3.24Å; L383-L766 WeakPolarHBondContact CD1-O 3.06Å; L383-L767 HydrophobicContact CD1-CD2 4.24Å; L383-V879 HydrophobicContact CD2-CG1 3.99Å; L383-N880 HydrophobicContact CD2-CB 4.26Å
384	R	90	Very high	89.8	Confident	78 Å²	78	37.3 Å²	37.3	29%	0.294	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-45.9	-48.5	-175.9	-174.7	-172.5	167.5	-72.4	-2.9	114	D379 F380 G381 I386 M387 D739	D379-R384 VanDerWaalsContact O-CB 3.27Å; D379-R384 WeakPolarHBondContact O-CB 3.03Å; D379-R384 WeakPolarHBondContact O-CD 3.27Å; D379-R384 WeakPolarHBondContact O-CG 3.08Å; F380-R384 HydrophobicContact CB-CB 4.13Å; F380-R384 HydrophobicContact CB-CG 4.44Å; G381-R384 WeakPolarHBondContact O-CB 3.41Å; G381-R384 PolarHBondContact O-N 3.02Å; G381-R384 VanDerWaalsContact O-N 3.17Å; R384-I386 PolarHBondContact O-N 2.93Å; R384-I386 VanDerWaalsContact O-N 3.08Å; R384-M387 PolarHBondContact O-N 3.34Å; R384-D739 IonicContact CZ-OD2 3.52Å; R384-D739 IonicContact NH1-OD2 3.61Å; R384-D739 PolarHBondContact NH1-OD2 3.31Å; R384-D739 IonicContact NH2-OD1 3.58Å; R384-D739 IonicContact NH2-OD2 2.91Å; R384-D739 PolarHBondContact NH2-OD2 2.76Å
385	N	89.2	Confident	89	Confident	76 Å²	76	37.5 Å²	37.5	41%	0.406	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-69.1	-11.1	-171.5	-63.5	-13.4	0	0	0	114.1	L383 K741	L383-N385 VanDerWaalsContact C-N 3.29Å; L383-N385 PolarHBondContact O-N 3.15Å; L383-N385 VanDerWaalsContact O-N 3.14Å; N385-K741 CarbonylContact O-C 3.54Å; N385-K741 PolarHBondContact O-N 2.88Å
386	I	92.1	Very high	87.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-129.3	0.3	-178	58.1	163.9	0	0	0	112.9	L383 R384 K741 P742 L743 L767 Q771 V879 V884	L383-I386 HydrophobicContact CB-CG1 4.38Å; L383-I386 HydrophobicContact CD2-CD1 4.07Å; L383-I386 WeakPolarHBondContact O-CG1 3.33Å; L383-I386 PolarHBondContact O-N 3.04Å; L383-I386 VanDerWaalsContact O-N 3.08Å; R384-I386 PolarHBondContact O-N 2.93Å; R384-I386 VanDerWaalsContact O-N 3.08Å; I386-K741 WeakPolarHBondContact CA-O 3.31Å; I386-P742 WeakPolarHBondContact O-CA 3.32Å; I386-L743 HydrophobicContact CB-CB 4.08Å; I386-L743 HydrophobicContact CD1-CD2 4.37Å; I386-L743 PolarHBondContact O-N 3.06Å; I386-L767 HydrophobicContact CD1-CD2 4.2Å; I386-Q771 PolarHBondContact O-NE2 2.85Å; I386-V879 HydrophobicContact CD1-CB 4.4Å; I386-V879 HydrophobicContact CD1-CG1 2.93Å; I386-V879 HydrophobicContact CG1-CG1 4.42Å; I386-V884 HydrophobicContact CG2-CG2 3.79Å
387	M	91.8	Very high	86.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.			trans	-75.8	140.5	178.3	-177.6	63.2	68.8	0	0	108.8	W361 F380 L383 R384 P389 I740 L766 L767 N768	W361-M387 HydrophobicContact CE3-CE 4.18Å; W361-M387 HydrophobicContact CE3-SD 4.02Å; W361-M387 HydrophobicContact CZ3-CE 4.46Å; W361-M387 HydrophobicContact CZ3-SD 3.78Å; F380-M387 HydrophobicContact CB-CB 4.4Å; F380-M387 HydrophobicContact CB-CG 4.36Å; F380-M387 HydrophobicContact CD1-CG 3.65Å; F380-M387 HydrophobicContact CE1-CG 4.09Å; F380-M387 HydrophobicContact CG-CB 4.45Å; F380-M387 HydrophobicContact CG-CG 4.05Å; L383-M387 HydrophobicContact CB-CE 4.2Å; L383-M387 WeakPolarHBondContact O-CB 3.16Å; L383-M387 PolarHBondContact O-N 3.5Å; R384-M387 PolarHBondContact O-N 3.34Å; M387-P389 VanDerWaalsContact O-CD 3.32Å; M387-P389 WeakPolarHBondContact O-CD 3.32Å; M387-I740 WeakPolarHBondContact O-CG2 3.45Å; M387-L766 VanDerWaalsContact CE-O 3.26Å; M387-L766 WeakPolarHBondContact CE-O 3.39Å; M387-L767 HydrophobicContact CE-CD2 4.39Å; M387-N768 HydrophobicContact SD-CB 4.2Å; M387-N768 PolarHBondContact SD-N 3.13Å; M387-N768 VanDerWaalsContact SD-N 3.39Å
388	L	93.3	Very high	85	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.144	C	C	.	.			trans	-92.1	106.2	164.1	-177.2	63.4	0	0	0	108.3	C392 V393 L731 P742 N768 Q771 F787	L388-C392 HydrophobicContact CD1-CB 3.81Å; L388-V393 HydrophobicContact CD1-CG2 4.35Å; L388-V393 HydrophobicContact CD2-CG2 3.42Å; L388-V393 VanDerWaalsContact CD2-CG2 3.42Å; L388-V393 HydrophobicContact CG-CG2 3.56Å; L388-L731 HydrophobicContact CD2-CD1 4.28Å; L388-L731 HydrophobicContact CD2-CD2 3.69Å; L388-P742 HydrophobicContact CB-CB 4.41Å; L388-P742 HydrophobicContact CD1-CB 4.46Å; L388-P742 HydrophobicContact CD1-CG 4.21Å; L388-N768 HydrophobicContact CB-CB 4.17Å; L388-N768 VanDerWaalsContact O-CB 3.31Å; L388-N768 WeakPolarHBondContact O-CB 3.47Å; L388-N768 PolarHBondContact O-ND2 3.1Å; L388-Q771 VanDerWaalsContact CB-CD 3.43Å; L388-Q771 HydrophobicContact CB-CG 3.61Å; L388-Q771 HydrophobicContact CD2-CG 4Å; L388-F787 HydrophobicContact CD2-CZ 4.37Å
389	P	92.8	Very high	83.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.			trans	-61.3	147.6	-178.5	-22.8	34.9	0	0	0	111.6	F380 M387 Y391 C392 I740	F380-P389 HydrophobicContact CE2-CB 4.2Å; F380-P389 HydrophobicContact CE2-CG 4.24Å; F380-P389 HydrophobicContact CZ-CB 3.74Å; F380-P389 HydrophobicContact CZ-CG 4.22Å; M387-P389 VanDerWaalsContact O-CD 3.32Å; M387-P389 WeakPolarHBondContact O-CD 3.32Å; P389-Y391 VanDerWaalsContact C-N 3.27Å; P389-Y391 HydrophobicContact CB-CD1 3.89Å; P389-Y391 HydrophobicContact CB-CD2 4.09Å; P389-Y391 HydrophobicContact CB-CE1 3.42Å; P389-Y391 VanDerWaalsContact CB-CE1 3.42Å; P389-Y391 HydrophobicContact CB-CE2 3.64Å; P389-Y391 HydrophobicContact CB-CG 4.2Å; P389-Y391 HydrophobicContact CG-CE1 4.32Å; P389-Y391 HydrophobicContact CG-CE2 4.03Å; P389-Y391 PolarHBondContact O-N 3.35Å; P389-C392 VanDerWaalsContact O-CB 3.31Å; P389-C392 WeakPolarHBondContact O-CB 3.2Å; P389-C392 PolarHBondContact O-N 2.8Å; P389-I740 HydrophobicContact CG-CD1 4.47Å
390	P	89.9	Confident	82.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-62.2	-29.4	-177.3	18.3	-26.6	0	0	0	114	Q156 T159 M165 W361 C392 V393	Q156-P390 WeakPolarHBondContact O-CB 3.48Å; T159-P390 PolarHBondContact N-O 3.31Å; M165-P390 HydrophobicContact CE-CB 4.28Å; M165-P390 HydrophobicContact CE-CG 3.87Å; M165-P390 HydrophobicContact SD-CB 4.47Å; W361-P390 HydrophobicContact CH2-CB 4.33Å; W361-P390 HydrophobicContact CH2-CG 4.05Å; W361-P390 HydrophobicContact CZ2-CB 4.19Å; W361-P390 HydrophobicContact CZ2-CG 3.73Å; P390-C392 PolarHBondContact O-N 3.31Å; P390-V393 PolarHBondContact O-N 2.87Å; P390-V393 VanDerWaalsContact O-N 3.12Å
391	Y	86.6	Confident	81	Confident	34 Å²	34	28.9 Å²	28.9	13%	0.133	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-67.7	-15.3	173.5	48.6	-97.8	0	0	0	114.2	M165 V324 Q326 P389 V393 K735	M165-Y391 HydrophobicContact CE-CD1 3.78Å; M165-Y391 HydrophobicContact CE-CG 4.37Å; M165-Y391 WeakPolarHBondContact SD-CA 3.48Å; M165-Y391 WeakPolarHBondContact SD-CB 3.41Å; M165-Y391 HydrophobicContact SD-CD1 4.32Å; M165-Y391 HydrophobicContact SD-CG 4.32Å; M165-Y391 PolarHBondContact SD-N 3Å; V324-Y391 HydrophobicContact CB-CD1 4.09Å; V324-Y391 HydrophobicContact CB-CE1 4.37Å; V324-Y391 HydrophobicContact CB-CG 4.18Å; V324-Y391 HydrophobicContact CG1-CD1 3.64Å; V324-Y391 HydrophobicContact CG1-CE1 4.25Å; V324-Y391 HydrophobicContact CG1-CG 3.91Å; Q326-Y391 HydrophobicContact CB-CE1 4.46Å; P389-Y391 VanDerWaalsContact C-N 3.27Å; P389-Y391 HydrophobicContact CB-CD1 3.89Å; P389-Y391 HydrophobicContact CB-CD2 4.09Å; P389-Y391 HydrophobicContact CB-CE1 3.42Å; P389-Y391 VanDerWaalsContact CB-CE1 3.42Å; P389-Y391 HydrophobicContact CB-CE2 3.64Å; P389-Y391 HydrophobicContact CB-CG 4.2Å; P389-Y391 HydrophobicContact CG-CE1 4.32Å; P389-Y391 HydrophobicContact CG-CE2 4.03Å; P389-Y391 PolarHBondContact O-N 3.35Å; Y391-V393 VanDerWaalsContact C-N 3.33Å; Y391-K735 HydrophobicContact CD2-CB 4.35Å; Y391-K735 WeakPolarHBondContact CE2-O 3.09Å
392	C	90.1	Very high	79.8	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-87.4	-6.1	175.6	-62.4	0	0	0	0	112.5	L388 P389 P390 L731 K732 K735	L388-C392 HydrophobicContact CD1-CB 3.81Å; P389-C392 VanDerWaalsContact O-CB 3.31Å; P389-C392 WeakPolarHBondContact O-CB 3.2Å; P389-C392 PolarHBondContact O-N 2.8Å; P390-C392 PolarHBondContact O-N 3.31Å; C392-L731 CarbonylContact O-C 3.48Å; C392-L731 WeakPolarHBondContact O-CA 2.94Å; C392-K732 PolarHBondContact O-N 2.95Å; C392-K735 VanDerWaalsContact SG-C 3.54Å; C392-K735 PolarHBondContact SG-O 3.31Å; C392-K735 VanDerWaalsContact SG-O 3.33Å
393	V	89.3	Confident	78.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.5	-176.8	-167.1	0	0	0	0	109.6	A158 T159 L388 P390 Y391 P729 L731 H770	A158-V393 HydrophobicContact CB-CB 3.85Å; A158-V393 HydrophobicContact CB-CG1 3.78Å; T159-V393 PolarHBondContact N-O 2.77Å; T159-V393 PolarHBondContact OG1-O 2.77Å; L388-V393 HydrophobicContact CD1-CG2 4.35Å; L388-V393 HydrophobicContact CD2-CG2 3.42Å; L388-V393 VanDerWaalsContact CD2-CG2 3.42Å; L388-V393 HydrophobicContact CG-CG2 3.56Å; P390-V393 PolarHBondContact O-N 2.87Å; P390-V393 VanDerWaalsContact O-N 3.12Å; Y391-V393 VanDerWaalsContact C-N 3.33Å; V393-P729 HydrophobicContact CG1-CB 4.02Å; V393-L731 HydrophobicContact CB-CD2 4.49Å; V393-L731 HydrophobicContact CG1-CD2 4.17Å; V393-L731 HydrophobicContact CG2-CD2 4.02Å; V393-H770 HydrophobicContact CG1-CB 4.16Å
394	S	82	Confident	77.7	Confident	24 Å²	24	28.3 Å²	28.3	17%	0.168	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.1	168.2	48.6	0	0	0	0	110.2	R730	S394-R730 PolarHBondContact N-O 2.83Å; S394-R730 PolarHBondContact O-N 2.95Å; S394-R730 PolarHBondContact OG-O 3.29Å
395	V	76.9	Confident	76.5	Confident	26 Å²	26	25.1 Å²	25.1	16%	0.158	14%	0.138	C	C	.	.			trans	-107.2	133.6	173.4	170.9	0	0	0	0	108.1	A158 I405	A158-V395 HydrophobicContact CB-CB 4.49Å; A158-V395 HydrophobicContact CB-CG2 3.69Å; V395-I405 HydrophobicContact CG1-CD1 3.49Å; V395-I405 VanDerWaalsContact CG1-CD1 3.49Å; V395-I405 HydrophobicContact CG1-CG1 4.49Å; V395-I405 HydrophobicContact CG1-CG2 3.75Å; V395-I405 HydrophobicContact CG2-CG2 4.33Å
396	P	66.5	Low	75.1	Confident	11 Å²	11	22.2 Å²	22.2	7%	0.071	12%	0.123	C	C	.	.			trans	-61.5	146.6	178.6	21.9	-31.3	0	0	0	112.5	T398 V653 I727	P396-T398 HydrophobicContact CB-CG2 4.44Å; P396-T398 PolarHBondContact O-N 2.74Å; P396-T398 VanDerWaalsContact O-N 3.11Å; P396-V653 HydrophobicContact CB-CB 4.17Å; P396-V653 HydrophobicContact CB-CG1 4.05Å; P396-V653 HydrophobicContact CB-CG2 3.73Å; P396-V653 HydrophobicContact CG-CG1 4.02Å; P396-I727 HydrophobicContact CG-CG2 3.42Å; P396-I727 VanDerWaalsContact CG-CG2 3.42Å
397	R	60.9	Low	73.5	Confident	51 Å²	51	22.8 Å²	22.8	19%	0.192	13%	0.129	C	C	.	.			trans	-70.7	102.5	171.8	-63.8	-169.9	-144	-169.5	3.4	108.3	T161 P644 E646 P651 A703	T161-R397 VanDerWaalsContact CB-CZ 3.42Å; T161-R397 WeakPolarHBondContact OG1-CD 3.32Å; T161-R397 WeakPolarHBondContact OG1-CG 3.43Å; T161-R397 PolarHBondContact OG1-NE 3Å; T161-R397 VanDerWaalsContact OG1-NE 3.08Å; R397-P644 PolarHBondContact NH1-O 3.27Å; R397-E646 IonicContact CZ-OE1 3.91Å; R397-E646 IonicContact NE-OE1 3.14Å; R397-E646 IonicContact NH2-OE1 3.63Å; R397-E646 PolarHBondContact NH2-OE1 2.96Å; R397-P651 HydrophobicContact CB-CG 4.32Å; R397-P651 HydrophobicContact CG-CG 4.14Å; R397-A703 WeakPolarHBondContact O-CB 3.18Å
398	T	61.1	Low	71.9	Confident	21 Å²	21	23.8 Å²	23.8	13%	0.129	13%	0.133	C	C	.	.			trans	-129.1	148.9	174.7	48.2	0	0	0	0	107	P396 L400 V653 D707 I727	P396-T398 HydrophobicContact CB-CG2 4.44Å; P396-T398 PolarHBondContact O-N 2.74Å; P396-T398 VanDerWaalsContact O-N 3.11Å; T398-L400 HydrophobicContact CG2-CD1 4.47Å; T398-L400 PolarHBondContact O-N 3.35Å; T398-V653 HydrophobicContact CG2-CG1 4.04Å; T398-V653 HydrophobicContact CG2-CG2 4.3Å; T398-D707 WeakPolarHBondContact CA-OD1 3.18Å; T398-D707 WeakPolarHBondContact CB-OD1 3.18Å; T398-D707 WeakPolarHBondContact CG2-OD1 3.33Å; T398-I727 HydrophobicContact CG2-CD1 3.92Å
399	S	61.8	Low	69.9	Low	90 Å²	90	28.1 Å²	28.1	63%	0.629	16%	0.163	S	C	*	.	S	Bend	trans	-66.7	-7.8	169.9	62.7	0	0	0	0	112.4	D707	S399-D707 VanDerWaalsContact CB-OD2 3.31Å; S399-D707 WeakPolarHBondContact CB-OD2 3.5Å; S399-D707 PolarHBondContact N-OD2 3.36Å; S399-D707 PolarHBondContact OG-OD2 3.45Å
400	L	63.2	Low	67.8	Low	12 Å²	12	34.9 Å²	34.9	6%	0.063	19%	0.188	C	C	.	.	S	Bend	trans	-68.7	147.3	179.8	-62.6	168.5	0	0	0	112.2	T398 D707 Y710 H711 I727	T398-L400 HydrophobicContact CG2-CD1 4.47Å; T398-L400 PolarHBondContact O-N 3.35Å; L400-D707 WeakPolarHBondContact CD1-OD1 3.2Å; L400-Y710 HydrophobicContact CD1-CD1 3.61Å; L400-Y710 HydrophobicContact CD1-CD2 4.14Å; L400-Y710 HydrophobicContact CD1-CE1 4.23Å; L400-Y710 HydrophobicContact CD1-CG 3.59Å; L400-Y710 HydrophobicContact CD2-CD1 3.55Å; L400-Y710 HydrophobicContact CD2-CE1 3.89Å; L400-Y710 HydrophobicContact CD2-CG 4.37Å; L400-Y710 HydrophobicContact CG-CD1 4.26Å; L400-H711 WeakPolarHBondContact CD2-CE1 3.31Å; L400-H711 WeakPolarHBondContact CD2-NE2 3.5Å; L400-I727 HydrophobicContact CB-CD1 4.3Å; L400-I727 HydrophobicContact CD1-CD1 3.31Å; L400-I727 HydrophobicContact CD1-CG1 4.42Å; L400-I727 HydrophobicContact CG-CD1 4.41Å
401	L	63.8	Low	65.6	Low	55 Å²	55	37.1 Å²	37.1	29%	0.288	20%	0.203	S	C	.	.			trans	-72.7	147.6	-177.7	-65.8	176	0	0	0	111.3	E403 Q404 I405	L401-E403 WeakPolarHBondContact CB-OE2 3.42Å; L401-E403 PolarHBondContact O-N 2.84Å; L401-E403 VanDerWaalsContact O-N 3.12Å; L401-Q404 HydrophobicContact CB-CG 4.42Å; L401-Q404 WeakPolarHBondContact O-CA 3.39Å; L401-Q404 VanDerWaalsContact O-CB 3.29Å; L401-Q404 WeakPolarHBondContact O-CB 3.41Å; L401-Q404 PolarHBondContact O-N 2.76Å; L401-I405 PolarHBondContact O-N 2.86Å
402	V	62.7	Low	63.4	Low	44 Å²	44	40.7 Å²	40.7	27%	0.267	22%	0.221	S	C	.	.	H	α-helix	trans	-55.8	-33.5	177.9	170.5	0	0	0	0	112.2	P106 Q404 I405 I406	P106-V402 HydrophobicContact CG-CB 3.89Å; P106-V402 HydrophobicContact CG-CG2 3.41Å; P106-V402 VanDerWaalsContact CG-CG2 3.41Å; V402-Q404 VanDerWaalsContact C-N 3.27Å; V402-Q404 PolarHBondContact O-N 3.13Å; V402-I405 WeakPolarHBondContact O-CB 3.36Å; V402-I405 PolarHBondContact O-N 2.97Å; V402-I405 VanDerWaalsContact O-N 3.1Å; V402-I406 HydrophobicContact CG1-CD1 3.54Å; V402-I406 HydrophobicContact CG1-CG1 4.08Å; V402-I406 PolarHBondContact O-N 3.25Å
403	E	63.6	Low	61	Low	13 Å²	13	44.7 Å²	44.7	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-36.9	174.5	-62.5	92.8	149.2	0	0	112.1	C108 L401 I405 G407 M408	C108-E403 HydrophobicContact CB-CG 4.47Å; L401-E403 WeakPolarHBondContact CB-OE2 3.42Å; L401-E403 PolarHBondContact O-N 2.84Å; L401-E403 VanDerWaalsContact O-N 3.12Å; E403-I405 VanDerWaalsContact C-N 3.3Å; E403-I405 PolarHBondContact O-N 2.98Å; E403-G407 PolarHBondContact O-N 3.2Å; E403-M408 HydrophobicContact CB-CB 4.05Å; E403-M408 HydrophobicContact CG-CB 4.42Å; E403-M408 PolarHBondContact O-N 3.12Å
404	Q	64.6	Low	58.5	Low	57 Å²	57	51.5 Å²	51.5	27%	0.266	28%	0.279	S	S	.	.	H	α-helix	trans	-69.7	-30.1	176.6	-65.8	170.2	-46.3	0	0	111.9	L401 V402	L401-Q404 HydrophobicContact CB-CG 4.42Å; L401-Q404 WeakPolarHBondContact O-CA 3.39Å; L401-Q404 VanDerWaalsContact O-CB 3.29Å; L401-Q404 WeakPolarHBondContact O-CB 3.41Å; L401-Q404 PolarHBondContact O-N 2.76Å; V402-Q404 VanDerWaalsContact C-N 3.27Å; V402-Q404 PolarHBondContact O-N 3.13Å
405	I	63.6	Low	56.6	Low	11 Å²	11	56.7 Å²	56.7	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-78.8	-40.2	179	-57.4	175.5	0	0	0	111.4	V395 L401 V402 E403 G407 I727	V395-I405 HydrophobicContact CG1-CD1 3.49Å; V395-I405 VanDerWaalsContact CG1-CD1 3.49Å; V395-I405 HydrophobicContact CG1-CG1 4.49Å; V395-I405 HydrophobicContact CG1-CG2 3.75Å; V395-I405 HydrophobicContact CG2-CG2 4.33Å; L401-I405 PolarHBondContact O-N 2.86Å; V402-I405 WeakPolarHBondContact O-CB 3.36Å; V402-I405 PolarHBondContact O-N 2.97Å; V402-I405 VanDerWaalsContact O-N 3.1Å; E403-I405 VanDerWaalsContact C-N 3.3Å; E403-I405 PolarHBondContact O-N 2.98Å; I405-G407 VanDerWaalsContact C-N 3.3Å; I405-I727 HydrophobicContact CG1-CB 4.42Å; I405-I727 HydrophobicContact CG1-CD1 4.2Å; I405-I727 HydrophobicContact CG1-CG2 4.44Å; I405-I727 HydrophobicContact CG2-CG2 4.21Å
406	I	60	Low	55	Low	15 Å²	15	57.1 Å²	57.1	8%	0.077	31%	0.311	C	S	.	.	H	α-helix	trans	-81.9	-11	178.5	-61.1	176.9	0	0	0	111.7	I137 V402 M408 R764 P769	I137-I406 HydrophobicContact CD1-CD1 3.91Å; V402-I406 HydrophobicContact CG1-CD1 3.54Å; V402-I406 HydrophobicContact CG1-CG1 4.08Å; V402-I406 PolarHBondContact O-N 3.25Å; I406-M408 HydrophobicContact CB-CG 4.44Å; I406-M408 HydrophobicContact CG2-CG 4.08Å; I406-M408 HydrophobicContact CG2-SD 4.15Å; I406-R764 PolarHBondContact O-NH2 2.89Å; I406-P769 HydrophobicContact CD1-CB 4.25Å; I406-P769 HydrophobicContact CG2-CB 4.39Å
407	G	59.5	Low	53.5	Low	13 Å²	13	63.9 Å²	63.9	13%	0.134	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	44.9	-176.8	0	0	0	0	0	112.5	E403 I405 Y777	E403-G407 PolarHBondContact O-N 3.2Å; I405-G407 VanDerWaalsContact C-N 3.3Å; G407-Y777 WeakPolarHBondContact O-CE2 3.33Å
408	M	58.3	Low	52.2	Low	20 Å²	20	64.4 Å²	64.4	10%	0.099	37%	0.365	C	S	.	.			trans	-106	140.8	174.5	-67.5	-175.3	58	0	0	110.6	C108 E136 E403 I406 R764	C108-M408 HydrophobicContact CB-CE 3.59Å; C108-M408 HydrophobicContact CB-SD 3.6Å; C108-M408 VanDerWaalsContact CB-SD 3.6Å; E136-M408 HydrophobicContact CB-CE 4.03Å; E136-M408 HydrophobicContact CG-CE 4.17Å; E136-M408 WeakPolarHBondContact OE2-CE 3.31Å; E403-M408 HydrophobicContact CB-CB 4.05Å; E403-M408 HydrophobicContact CG-CB 4.42Å; E403-M408 PolarHBondContact O-N 3.12Å; I406-M408 HydrophobicContact CB-CG 4.44Å; I406-M408 HydrophobicContact CG2-CG 4.08Å; I406-M408 HydrophobicContact CG2-SD 4.15Å; M408-R764 VanDerWaalsContact CG-NH1 3.27Å
409	C	51.4	Low	51.1	Low	93 Å²	93	64.5 Å²	64.5	63%	0.628	37%	0.366	S	S	*	.			trans	-75.6	130.9	167.4	-75.8	0	0	0	0	109.3	Y777	C409-Y777 PolarHBondContact SG-OH 3.06Å
410	R	47.9	Very low	49.7	Very low	141 Å²	141	66.2 Å²	66.2	53%	0.532	36%	0.364	S	S	.	.			trans	-67.6	141.1	163.2	-130.4	-172.7	-176.5	-169	2	108.4	Q412	R410-Q412 PolarHBondContact O-N 3.16Å
411	P	44.5	Very low	48.2	Very low	48 Å²	48	69.3 Å²	69.3	31%	0.312	39%	0.391	S	S	.	.			trans	-59.2	113.2	161.4	21.3	-28.5	0	0	0	108.2	P413	P411-P413 WeakPolarHBondContact O-CD 3.41Å
412	Q	39.8	Very low	46.6	Very low	109 Å²	109	70.1 Å²	70.1	51%	0.509	40%	0.395	S	S	.	.			trans	-54.4	123.7	175.4	-89.8	-80.9	20.6	0	0	109.1	R410 E414 T415	R410-Q412 PolarHBondContact O-N 3.16Å; Q412-E414 PolarHBondContact O-N 2.75Å; Q412-E414 PolarHBondContact OE1-OE2 3.05Å; Q412-T415 PolarHBondContact O-OG1 2.86Å; Q412-T415 VanDerWaalsContact O-OG1 3.09Å
413	P	39.9	Very low	45.4	Very low	84 Å²	84	70.9 Å²	70.9	55%	0.545	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.6	173.1	-19.3	31	0	0	0	112.7	P411 T415 L416	P411-P413 WeakPolarHBondContact O-CD 3.41Å; P413-T415 VanDerWaalsContact C-N 3.35Å; P413-T415 PolarHBondContact O-N 2.98Å; P413-L416 WeakPolarHBondContact O-CA 3.49Å; P413-L416 WeakPolarHBondContact O-CB 3.32Å; P413-L416 PolarHBondContact O-N 3.22Å
414	E	36.9	Very low	44	Very low	143 Å²	143	74.6 Å²	74.6	67%	0.668	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-72.2	-24.8	-171.5	-68.8	160.8	179.9	0	0	113.4	Q412 L416	Q412-E414 PolarHBondContact O-N 2.75Å; Q412-E414 PolarHBondContact OE1-OE2 3.05Å; E414-L416 PolarHBondContact O-N 3.11Å; E414-L416 VanDerWaalsContact O-N 3.14Å
415	T	41.1	Very low	42.5	Very low	133 Å²	133	78.7 Å²	78.7	82%	0.816	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-72.1	1.9	169.4	35.2	0	0	0	0	113.3	Q412 P413	Q412-T415 PolarHBondContact O-OG1 2.86Å; Q412-T415 VanDerWaalsContact O-OG1 3.09Å; P413-T415 VanDerWaalsContact C-N 3.35Å; P413-T415 PolarHBondContact O-N 2.98Å
416	L	43.6	Very low	41.1	Very low	36 Å²	36	81.2 Å²	81.2	19%	0.188	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-106.6	6.7	-169.7	-151.6	63.6	0	0	0	114.8	I112 Y144 P413 E414 G418 V419	I112-L416 HydrophobicContact CD1-CD1 3.43Å; I112-L416 VanDerWaalsContact CD1-CD1 3.43Å; Y144-L416 HydrophobicContact CE2-CD1 4.32Å; Y144-L416 HydrophobicContact CE2-CD2 3.64Å; Y144-L416 HydrophobicContact CE2-CG 4.49Å; Y144-L416 VanDerWaalsContact CZ-CD2 3.46Å; Y144-L416 WeakPolarHBondContact OH-CD2 3.49Å; P413-L416 WeakPolarHBondContact O-CA 3.49Å; P413-L416 WeakPolarHBondContact O-CB 3.32Å; P413-L416 PolarHBondContact O-N 3.22Å; E414-L416 PolarHBondContact O-N 3.11Å; E414-L416 VanDerWaalsContact O-N 3.14Å; L416-G418 PolarHBondContact O-N 3.09Å; L416-V419 HydrophobicContact CD1-CB 3.87Å; L416-V419 HydrophobicContact CD1-CG1 4.49Å; L416-V419 HydrophobicContact CD1-CG2 3.5Å; L416-V419 VanDerWaalsContact CD1-CG2 3.5Å; L416-V419 HydrophobicContact CG-CB 4.08Å; L416-V419 HydrophobicContact CG-CG2 4.18Å; L416-V419 PolarHBondContact O-N 2.89Å; L416-V419 VanDerWaalsContact O-N 3.07Å
417	M	35	Very low	40	Very low	152 Å²	152	81.6 Å²	81.6	75%	0.749	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-7.8	175.9	-72.7	-98.9	84	0	0	113.7
418	G	33.3	Very low	38.9	Very low	63 Å²	63	82.9 Å²	82.9	65%	0.649	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-9.7	175.5	0	0	0	0	0	117	L416	L416-G418 PolarHBondContact O-N 3.09Å
419	V	38.6	Very low	37.7	Very low	23 Å²	23	87.2 Å²	87.2	14%	0.139	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-92.2	-12.5	-173.2	-179.8	0	0	0	0	113.2	L131 Y144 L416 A421 L422	L131-V419 HydrophobicContact CD1-CG2 4.25Å; Y144-V419 HydrophobicContact CD1-CG1 3.7Å; Y144-V419 HydrophobicContact CE1-CB 4.49Å; Y144-V419 HydrophobicContact CE1-CG1 3.59Å; L416-V419 HydrophobicContact CD1-CB 3.87Å; L416-V419 HydrophobicContact CD1-CG1 4.49Å; L416-V419 HydrophobicContact CD1-CG2 3.5Å; L416-V419 VanDerWaalsContact CD1-CG2 3.5Å; L416-V419 HydrophobicContact CG-CB 4.08Å; L416-V419 HydrophobicContact CG-CG2 4.18Å; L416-V419 PolarHBondContact O-N 2.89Å; L416-V419 VanDerWaalsContact O-N 3.07Å; V419-A421 PolarHBondContact O-N 3.26Å; V419-L422 HydrophobicContact CG1-CB 4.49Å; V419-L422 HydrophobicContact CG1-CD1 4.24Å; V419-L422 PolarHBondContact O-N 3.19Å
420	Q	32.7	Very low	37	Very low	126 Å²	126	84.2 Å²	84.2	59%	0.589	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-55.9	-19.8	171.7	-105.8	166.6	-22.3	0	0	113.6	T423	Q420-T423 PolarHBondContact O-OG1 3.36Å
421	A	30.6	Very low	36.1	Very low	76 Å²	76	83.3 Å²	83.3	63%	0.628	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-76.4	-16.1	175.2	0	0	0	0	0	114.4	V419	V419-A421 PolarHBondContact O-N 3.26Å
422	L	31.7	Very low	35.4	Very low	72 Å²	72	84 Å²	84	38%	0.377	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-22.9	-179	-79.6	160.7	0	0	0	113.2	L131 V419 D424 E425	L131-L422 HydrophobicContact CD1-CD1 4.05Å; V419-L422 HydrophobicContact CG1-CB 4.49Å; V419-L422 HydrophobicContact CG1-CD1 4.24Å; V419-L422 PolarHBondContact O-N 3.19Å; L422-D424 PolarHBondContact O-N 2.75Å; L422-E425 PolarHBondContact O-N 2.89Å
423	T	35.9	Very low	34.9	Very low	61 Å²	61	83.5 Å²	83.5	37%	0.374	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-64	-12.8	178.3	49	0	0	0	0	113.7	Q420 E425	Q420-T423 PolarHBondContact O-OG1 3.36Å; T423-E425 VanDerWaalsContact C-N 3.33Å; T423-E425 PolarHBondContact O-N 3.22Å
424	D	35.6	Very low	34.6	Very low	90 Å²	90	86.7 Å²	86.7	48%	0.481	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-77.4	-10.3	-179.9	-75.8	-23.2	0	0	0	114.5	L422 Y471	L422-D424 PolarHBondContact O-N 2.75Å; D424-Y471 PolarHBondContact OD1-OH 3.29Å
425	E	33.6	Very low	34.2	Very low	143 Å²	143	86.2 Å²	86.2	67%	0.668	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-102	1.9	-173.4	-63.8	-165	163.5	0	0	115.5	L422 T423 S427	L422-E425 PolarHBondContact O-N 2.89Å; T423-E425 VanDerWaalsContact C-N 3.33Å; T423-E425 PolarHBondContact O-N 3.22Å; E425-S427 PolarHBondContact O-N 2.81Å
426	F	34.4	Very low	33.6	Very low	65 Å²	65	83.3 Å²	83.3	29%	0.285	48%	0.478	S	S	.	.			trans	-80.9	101.3	179.7	-156.2	-88.5	0	0	0	112.5	E145	E145-F426 VanDerWaalsContact OE2-CD2 3.3Å; E145-F426 WeakPolarHBondContact OE2-CD2 3.35Å
427	S	36.8	Very low	32.7	Very low	23 Å²	23	85.4 Å²	85.4	16%	0.161	51%	0.508	C	S	.	.	B	Isolated β-bridge	trans	-91.8	137.3	169.9	-176.6	0	0	0	0	111.9	E425 N429 G430 Y454	E425-S427 PolarHBondContact O-N 2.81Å; S427-N429 PolarHBondContact O-N 2.99Å; S427-G430 PolarHBondContact O-N 2.94Å; S427-Y454 PolarHBondContact OG-OH 3.45Å
428	S	34.9	Very low	32.4	Very low	40 Å²	40	85 Å²	85	28%	0.28	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.4	179.8	63	0	0	0	0	115	S473	S428-S473 PolarHBondContact OG-N 2.92Å
429	N	33.9	Very low	32.1	Very low	110 Å²	110	89.6 Å²	89.6	59%	0.588	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.4	179.8	-71.1	-8.7	0	0	0	113.8	S427 D431	S427-N429 PolarHBondContact O-N 2.99Å; N429-D431 PolarHBondContact O-N 3.48Å; N429-D431 VanDerWaalsContact O-N 3.09Å
430	G	36.1	Very low	31.7	Very low	31 Å²	31	99.7 Å²	99.7	32%	0.32	55%	0.548	S	S	.	.			trans	70.2	5.2	165.1	0	0	0	0	0	116.4	K125 S427 S432	K125-G430 PolarHBondContact NZ-O 2.81Å; S427-G430 PolarHBondContact O-N 2.94Å; G430-S432 PolarHBondContact O-N 2.91Å
431	D	28.4	Very low	31.5	Very low	121 Å²	121	102 Å²	102	65%	0.647	56%	0.556	S	S	*	*			trans	-76.8	118	167.3	-68.7	-27.2	0	0	0	108.3	N429	N429-D431 PolarHBondContact O-N 3.48Å; N429-D431 VanDerWaalsContact O-N 3.09Å
432	S	30.6	Very low	31.6	Very low	64 Å²	64	103.9 Å²	103.9	45%	0.448	56%	0.564	S	S	.	*			trans	-61.1	137.9	159.1	171.1	0	0	0	0	107	G430 E434 E435	G430-S432 PolarHBondContact O-N 2.91Å; S432-E434 PolarHBondContact O-N 3.44Å; S432-E434 PolarHBondContact OG-N 3.18Å; S432-E435 PolarHBondContact O-N 3.12Å; S432-E435 VanDerWaalsContact O-N 3.12Å
433	P	30.5	Very low	31.7	Very low	98 Å²	98	106.1 Å²	106.1	64%	0.636	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-10.5	176.5	-24	32.7	0	0	0	114.4	S436	P433-S436 PolarHBondContact O-OG 3.31Å
434	E	33.2	Very low	31.7	Very low	151 Å²	151	112.3 Å²	112.3	71%	0.706	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-16.2	-179.9	-59.1	-166.6	148.6	0	0	115	S432	S432-E434 PolarHBondContact O-N 3.44Å; S432-E434 PolarHBondContact OG-N 3.18Å
435	E	27.1	Very low	32	Very low	133 Å²	133	114.6 Å²	114.6	62%	0.621	61%	0.61	S	S	*	*	S	Bend	trans	-84.1	-11.4	177.3	-90.3	-156.5	130.4	0	0	114.3	K52 S432 G437	K52-E435 IonicContact NZ-OE1 3.12Å; K52-E435 PolarHBondContact NZ-OE1 2.75Å; S432-E435 PolarHBondContact O-N 3.12Å; S432-E435 VanDerWaalsContact O-N 3.12Å; E435-G437 PolarHBondContact O-N 3.3Å
436	S	29.3	Very low	32.2	Very low	72 Å²	72	114.8 Å²	114.8	50%	0.503	61%	0.609	S	S	.	*	S	Bend	trans	-81	95.9	160.7	59.6	0	0	0	0	108.7	P433 I438	P433-S436 PolarHBondContact O-OG 3.31Å; S436-I438 PolarHBondContact O-N 3.32Å
437	G	25	Very low	32.7	Very low	80 Å²	80	115.9 Å²	115.9	83%	0.825	62%	0.621	S	S	*	*			trans	-65.2	58.1	171.1	0	0	0	0	0	113.2	E435	E435-G437 PolarHBondContact O-N 3.3Å
438	I	28.8	Very low	33.1	Very low	142 Å²	142	119.9 Å²	119.9	73%	0.728	64%	0.641	S	S	*	*			trans	-99.1	105.4	172.1	-60.5	178.1	0	0	0	106.9	S436 R440	S436-I438 PolarHBondContact O-N 3.32Å; I438-R440 PolarHBondContact O-N 3.43Å
439	E	26.9	Very low	33.8	Very low	161 Å²	161	127.6 Å²	127.6	75%	0.752	66%	0.664	S	S	*	*			trans	-36.2	126.4	169.8	-62.6	-179.1	149.4	0	0	111.3	K441	E439-K441 PolarHBondContact O-N 2.87Å
440	R	31	Very low	34.5	Very low	234 Å²	234	127.9 Å²	127.9	88%	0.883	67%	0.665	S	S	*	*			trans	-65.6	74.9	174	-69.7	179.6	-178	164.4	0.9	110.3	I438	I438-R440 PolarHBondContact O-N 3.43Å
441	K	28.3	Very low	35.4	Very low	176 Å²	176	130.9 Å²	130.9	77%	0.765	67%	0.67	S	S	*	*			trans	-77.4	118.6	153.9	-84.7	-178.4	176.6	172.3	0	107.3	E439 N443	E439-K441 PolarHBondContact O-N 2.87Å; K441-N443 PolarHBondContact O-N 3.29Å
442	S	31.6	Very low	37	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	66%	0.664	S	S	*	*			trans	-43.5	109.3	172	51.5	0	0	0	0	111.3
443	N	33.4	Very low	39	Very low	118 Å²	118	130 Å²	130	63%	0.631	66%	0.66	S	S	*	*			trans	-144.5	100.4	161.3	-100.8	-17.7	0	0	0	108.1	K441 D445	K441-N443 PolarHBondContact O-N 3.29Å; N443-D445 PolarHBondContact O-N 3.06Å
444	K	37.4	Very low	41.5	Very low	192 Å²	192	128.1 Å²	128.1	84%	0.835	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	0.7	-178.4	-157.3	179.1	174.4	-172.2	0	113
445	D	40.1	Very low	44.2	Very low	137 Å²	137	121.2 Å²	121.2	73%	0.733	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-0.5	-175.7	-71.6	-21.4	0	0	0	115.3	N443	N443-D445 PolarHBondContact O-N 3.06Å
446	K	38.7	Very low	47.4	Very low	148 Å²	148	117 Å²	117	64%	0.643	59%	0.587	S	S	*	*	S	Bend	trans	-92.4	-15.4	175.7	-77.6	-167.9	175.1	-173.9	0	114.4	D448	K446-D448 VanDerWaalsContact C-N 3.33Å; K446-D448 PolarHBondContact O-N 3.03Å
447	T	45.3	Very low	50.5	Low	88 Å²	88	113.5 Å²	113.5	54%	0.54	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-26.6	-176.1	44.5	0	0	0	0	113.7	F451	T447-F451 WeakPolarHBondContact O-CD2 3.32Å; T447-F451 WeakPolarHBondContact O-CE2 3.45Å
448	D	44.2	Very low	53.9	Low	107 Å²	107	109.9 Å²	109.9	57%	0.572	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-29.4	-173.5	-123.1	7.2	0	0	0	113.6	K446	K446-D448 VanDerWaalsContact C-N 3.33Å; K446-D448 PolarHBondContact O-N 3.03Å
449	R	49.5	Very low	57	Low	202 Å²	202	103.1 Å²	103.1	76%	0.762	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-26.3	-178.6	-65	-169.8	-145.2	-164.6	4	114.2	F451	R449-F451 PolarHBondContact O-N 3.4Å
450	D	50.1	Low	60.2	Low	115 Å²	115	95.5 Å²	95.5	62%	0.615	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.5	-178.5	-72.5	-18.4	0	0	0	112.4	Y454	D450-Y454 WeakPolarHBondContact O-CE2 3.4Å
451	F	54.1	Low	63.1	Low	95 Å²	95	85.8 Å²	85.8	42%	0.417	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14	-179.6	-70.9	-69	0	0	0	115.2	T447 R449 D453 Y454	T447-F451 WeakPolarHBondContact O-CD2 3.32Å; T447-F451 WeakPolarHBondContact O-CE2 3.45Å; R449-F451 PolarHBondContact O-N 3.4Å; F451-D453 PolarHBondContact O-N 3.4Å; F451-Y454 HydrophobicContact CD1-CD2 4.39Å; F451-Y454 HydrophobicContact CD1-CE2 4.49Å; F451-Y454 PolarHBondContact O-N 2.94Å
452	D	61.4	Low	66	Low	99 Å²	99	77.8 Å²	77.8	53%	0.529	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.1	-176.3	-75.4	-23.5	0	0	0	113.5
453	D	72.8	Confident	68.8	Low	67 Å²	67	72.8 Å²	72.8	36%	0.358	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.6	-179.1	-80	-32.5	0	0	0	114.5	F451 L474 K523	F451-D453 PolarHBondContact O-N 3.4Å; D453-L474 PolarHBondContact O-N 3.28Å; D453-K523 IonicContact OD1-NZ 3.75Å; D453-K523 PolarHBondContact OD1-NZ 3.27Å
454	Y	83.7	Confident	71.5	Confident	58 Å²	58	68.8 Å²	68.8	23%	0.227	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.1	-178.4	-71.7	-85.2	0	0	0	113.9	S427 D450 F451 L472	S427-Y454 PolarHBondContact OG-OH 3.45Å; D450-Y454 WeakPolarHBondContact O-CE2 3.4Å; F451-Y454 HydrophobicContact CD1-CD2 4.39Å; F451-Y454 HydrophobicContact CD1-CE2 4.49Å; F451-Y454 PolarHBondContact O-N 2.94Å; Y454-L472 WeakPolarHBondContact CA-O 3.19Å
455	V	90.3	Very high	74	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.9	174.4	179.2	0	0	0	0	109.9	V457 Y471 L472 L474 F522 P533 I535	V455-V457 HydrophobicContact CG1-CG2 4.23Å; V455-Y471 WeakPolarHBondContact O-CA 3.21Å; V455-L472 PolarHBondContact N-O 3.45Å; V455-L472 PolarHBondContact O-N 3.15Å; V455-L474 HydrophobicContact CB-CD1 4.31Å; V455-L474 HydrophobicContact CG2-CD1 3.61Å; V455-L474 HydrophobicContact CG2-CG 4.26Å; V455-F522 HydrophobicContact CG1-CE1 4.43Å; V455-F522 HydrophobicContact CG1-CZ 3.92Å; V455-F522 HydrophobicContact CG2-CE1 3.62Å; V455-F522 HydrophobicContact CG2-CZ 3.97Å; V455-P533 HydrophobicContact CG1-CB 4.45Å; V455-I535 HydrophobicContact CG1-CD1 3.74Å; V455-I535 HydrophobicContact CG1-CG1 3.69Å; V455-I535 HydrophobicContact CG1-CG2 4.26Å
456	R	93.4	Very high	76.2	Confident	43 Å²	43	65.4 Å²	65.4	16%	0.162	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.5	172.8	-74.3	-175.6	-75.7	-180	0.7	109.3	Y458 C469 Y471 E508 R532 P533 Q534 I535	R456-Y458 HydrophobicContact CB-CE2 4.27Å; R456-C469 HydrophobicContact CB-CB 4.05Å; R456-C469 HydrophobicContact CG-CB 4.36Å; R456-Y471 HydrophobicContact CG-CD1 3.94Å; R456-Y471 HydrophobicContact CG-CE1 3.5Å; R456-Y471 VanDerWaalsContact CG-CE1 3.5Å; R456-E508 IonicContact CZ-OE2 3.6Å; R456-E508 IonicContact NH2-OE2 3.1Å; R456-E508 PolarHBondContact NH2-OE2 2.93Å; R456-R532 PolarHBondContact NH2-O 2.92Å; R456-P533 PolarHBondContact N-O 3.05Å; R456-Q534 HydrophobicContact CB-CG 4.21Å; R456-Q534 VanDerWaalsContact NH2-NE2 3.12Å; R456-Q534 CarbonylContact O-C 3.57Å; R456-Q534 WeakPolarHBondContact O-CA 3.26Å; R456-I535 PolarHBondContact O-N 3.23Å
457	V	95.1	Very high	78.4	Confident	0 Å²	0	66 Å²	66	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136	-177.9	-167.3	0	0	0	0	110.1	V455 C469 R470 L472 S487 F491 I535 I537	V455-V457 HydrophobicContact CG1-CG2 4.23Å; V457-C469 CarbonylContact O-C 3.47Å; V457-C469 VanDerWaalsContact O-CA 3.26Å; V457-C469 WeakPolarHBondContact O-CA 3.45Å; V457-C469 WeakPolarHBondContact O-CB 3.26Å; V457-R470 PolarHBondContact N-O 3.08Å; V457-R470 PolarHBondContact O-N 2.84Å; V457-L472 HydrophobicContact CG2-CB 4.36Å; V457-L472 HydrophobicContact CG2-CD1 3.6Å; V457-L472 HydrophobicContact CG2-CG 3.62Å; V457-S487 WeakPolarHBondContact CG1-OG 3.22Å; V457-F491 HydrophobicContact CB-CE2 4.27Å; V457-F491 HydrophobicContact CG1-CE2 3.85Å; V457-F491 WeakPolarHBondContact O-CZ 3.26Å; V457-I535 CarbonylContact C-O 3.46Å; V457-I535 WeakPolarHBondContact CA-O 3.31Å; V457-I535 HydrophobicContact CB-CD1 4.49Å; V457-I535 HydrophobicContact CB-CG1 4.16Å; V457-I535 HydrophobicContact CG1-CD1 4.18Å; V457-I535 HydrophobicContact CG1-CG1 4.04Å; V457-I535 HydrophobicContact CG2-CD1 3.78Å; V457-I535 HydrophobicContact CG2-CG1 3.79Å; V457-I537 HydrophobicContact CG1-CD1 4.28Å; V457-I537 HydrophobicContact CG1-CG1 4.14Å
458	Y	95.4	Very high	80.4	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.4	172.8	-51.4	-91.7	0	0	0	110	R456 G460 R463 F464 C469 Q534 I535 I536 I537	R456-Y458 HydrophobicContact CB-CE2 4.27Å; Y458-G460 VanDerWaalsContact C-N 3.28Å; Y458-R463 HydrophobicContact CD1-CB 4.1Å; Y458-F464 HydrophobicContact CD1-CB 4.21Å; Y458-F464 HydrophobicContact CD2-CB 4.47Å; Y458-F464 AromaticContact CD2-CD2 3.9Å; Y458-F464 HydrophobicContact CD2-CD2 3.9Å; Y458-F464 HydrophobicContact CE1-CD2 4.41Å; Y458-F464 AromaticContact CE2-CD2 3.68Å; Y458-F464 HydrophobicContact CE2-CD2 3.68Å; Y458-F464 HydrophobicContact CE2-CE2 4.32Å; Y458-F464 HydrophobicContact CG-CB 4.13Å; Y458-F464 HydrophobicContact CG-CD2 4.37Å; Y458-F464 AromaticContact CZ-CD2 3.93Å; Y458-C469 HydrophobicContact CD1-CB 3.83Å; Y458-C469 HydrophobicContact CE1-CB 3.41Å; Y458-C469 VanDerWaalsContact CE1-CB 3.41Å; Y458-C469 HydrophobicContact CE2-CB 4.13Å; Y458-C469 HydrophobicContact CG-CB 4.39Å; Y458-Q534 HydrophobicContact CE2-CB 4.31Å; Y458-Q534 PolarHBondContact OH-OE1 3.27Å; Y458-I535 PolarHBondContact N-O 3.34Å; Y458-I536 HydrophobicContact CD2-CG1 4.29Å; Y458-I536 WeakPolarHBondContact O-CA 3.38Å; Y458-I537 WeakPolarHBondContact O-CG1 3.5Å; Y458-I537 PolarHBondContact O-N 2.98Å
459	D	94.7	Very high	82.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-81.4	-7.2	176.7	68.9	-23	0	0	0	113.4	R463 F491 S631 V632	D459-R463 WeakPolarHBondContact OD1-CB 3.36Å; D459-R463 WeakPolarHBondContact OD1-CD 3.33Å; D459-R463 WeakPolarHBondContact OD1-CG 3.45Å; D459-R463 IonicContact OD1-NE 2.77Å; D459-R463 IonicContact OD2-NE 3.91Å; D459-F491 HydrophobicContact CB-CD1 3.95Å; D459-F491 HydrophobicContact CB-CD2 4.05Å; D459-F491 HydrophobicContact CB-CE1 4.05Å; D459-F491 HydrophobicContact CB-CE2 4.15Å; D459-F491 HydrophobicContact CB-CG 3.96Å; D459-F491 HydrophobicContact CB-CZ 4.16Å; D459-S631 WeakPolarHBondContact O-CA 3.42Å; D459-S631 WeakPolarHBondContact OD2-CB 3.32Å; D459-S631 PolarHBondContact OD2-OG 3.22Å; D459-V632 HydrophobicContact CB-CG2 4.16Å; D459-V632 WeakPolarHBondContact O-CG2 3.41Å; D459-V632 PolarHBondContact O-N 3.42Å
460	G	94.6	Very high	84.5	Confident	0 Å²	0	53 Å²	53	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	168.8	-177.7	178.9	0	0	0	0	0	112.4	Y458 G462 R463 F464 E630	Y458-G460 VanDerWaalsContact C-N 3.28Å; G460-G462 PolarHBondContact O-N 2.89Å; G460-R463 PolarHBondContact O-N 3.27Å; G460-F464 PolarHBondContact O-N 3.49Å; G460-E630 CarbonylContact C-O 3.46Å; G460-E630 VanDerWaalsContact C-O 3.27Å; G460-E630 VanDerWaalsContact CA-O 3.28Å; G460-E630 WeakPolarHBondContact CA-O 3.48Å
461	W	91.5	Very high	86.5	Confident	31 Å²	31	48.4 Å²	48.4	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-32.3	-178.8	-90.3	109.9	0	0	0	113.1	R463 F464 R465 E513 R538 R629 E630	W461-R463 PolarHBondContact O-N 3.14Å; W461-F464 AromaticContact CE3-CD1 3.6Å; W461-F464 HydrophobicContact CE3-CD1 3.6Å; W461-F464 HydrophobicContact CE3-CE1 4.24Å; W461-F464 HydrophobicContact CE3-CG 4.44Å; W461-F464 HydrophobicContact CH2-CD1 4.4Å; W461-F464 HydrophobicContact CH2-CE1 4.29Å; W461-F464 AromaticContact CZ3-CD1 3.42Å; W461-F464 HydrophobicContact CZ3-CD1 3.42Å; W461-F464 VanDerWaalsContact CZ3-CD1 3.42Å; W461-F464 AromaticContact CZ3-CE1 3.57Å; W461-F464 HydrophobicContact CZ3-CE1 3.57Å; W461-F464 PolarHBondContact O-N 2.95Å; W461-R465 HydrophobicContact CE3-CG 4.37Å; W461-R465 WeakPolarHBondContact O-CG 3.48Å; W461-R465 PolarHBondContact O-N 2.92Å; W461-E513 WeakPolarHBondContact CZ2-OE1 2.99Å; W461-E513 PolarHBondContact NE1-OE1 3.09Å; W461-R538 VanDerWaalsContact CD1-NH2 3.27Å; W461-R629 WeakPolarHBondContact CB-O 3.4Å; W461-R629 VanDerWaalsContact CD1-CG 3.49Å; W461-R629 HydrophobicContact CG-CG 4.38Å; W461-R629 PolarHBondContact N-O 3.35Å; W461-R629 VanDerWaalsContact N-O 3.09Å; W461-E630 PolarHBondContact N-O 3.18Å
462	G	89.2	Confident	88.2	Confident	8 Å²	8	44 Å²	44	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-41.5	-176.7	0	0	0	0	0	112.7	G460 K466 E630	G460-G462 PolarHBondContact O-N 2.89Å; G462-K466 WeakPolarHBondContact O-CG 3.43Å; G462-K466 PolarHBondContact O-N 3.01Å; G462-E630 WeakPolarHBondContact CA-OE2 3.41Å; G462-E630 PolarHBondContact N-O 3.5Å; G462-E630 PolarHBondContact N-OE2 3.49Å; G462-E630 VanDerWaalsContact N-OE2 3.14Å
463	R	90.1	Very high	89.5	Confident	9 Å²	9	40.9 Å²	40.9	3%	0.034	18%	0.183	C	C	.	.	H	α-helix	trans	-75.5	-34.4	173.9	-78.1	-163.5	-173.6	-111.9	-7.1	112.4	D148 Y458 D459 G460 W461 K466 K467 Q468 R607	D148-R463 IonicContact OD2-CZ 3.53Å; D148-R463 IonicContact OD2-NH1 3.9Å; D148-R463 PolarHBondContact OD2-NH1 3.1Å; D148-R463 IonicContact OD2-NH2 3.63Å; D148-R463 PolarHBondContact OD2-NH2 3.33Å; Y458-R463 HydrophobicContact CD1-CB 4.1Å; D459-R463 WeakPolarHBondContact OD1-CB 3.36Å; D459-R463 WeakPolarHBondContact OD1-CD 3.33Å; D459-R463 WeakPolarHBondContact OD1-CG 3.45Å; D459-R463 IonicContact OD1-NE 2.77Å; D459-R463 IonicContact OD2-NE 3.91Å; G460-R463 PolarHBondContact O-N 3.27Å; W461-R463 PolarHBondContact O-N 3.14Å; R463-K466 CarbonylContact O-C 3.58Å; R463-K466 PolarHBondContact O-N 3.29Å; R463-K467 PolarHBondContact O-N 2.92Å; R463-Q468 HydrophobicContact CB-CB 4.3Å; R463-Q468 WeakPolarHBondContact CD-O 3.49Å; R463-Q468 HydrophobicContact CG-CB 4.26Å; R463-Q468 PolarHBondContact O-N 3.38Å; R463-R607 VanDerWaalsContact CG-NH2 3.27Å
464	F	90.6	Very high	90.1	Very high	35 Å²	35	37.9 Å²	37.9	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-50.2	175.9	178	-100.2	0	0	0	111.7	Y458 G460 W461 K466 K467 V506 I536	Y458-F464 HydrophobicContact CD1-CB 4.21Å; Y458-F464 HydrophobicContact CD2-CB 4.47Å; Y458-F464 AromaticContact CD2-CD2 3.9Å; Y458-F464 HydrophobicContact CD2-CD2 3.9Å; Y458-F464 HydrophobicContact CE1-CD2 4.41Å; Y458-F464 AromaticContact CE2-CD2 3.68Å; Y458-F464 HydrophobicContact CE2-CD2 3.68Å; Y458-F464 HydrophobicContact CE2-CE2 4.32Å; Y458-F464 HydrophobicContact CG-CB 4.13Å; Y458-F464 HydrophobicContact CG-CD2 4.37Å; Y458-F464 AromaticContact CZ-CD2 3.93Å; G460-F464 PolarHBondContact O-N 3.49Å; W461-F464 AromaticContact CE3-CD1 3.6Å; W461-F464 HydrophobicContact CE3-CD1 3.6Å; W461-F464 HydrophobicContact CE3-CE1 4.24Å; W461-F464 HydrophobicContact CE3-CG 4.44Å; W461-F464 HydrophobicContact CH2-CD1 4.4Å; W461-F464 HydrophobicContact CH2-CE1 4.29Å; W461-F464 AromaticContact CZ3-CD1 3.42Å; W461-F464 HydrophobicContact CZ3-CD1 3.42Å; W461-F464 VanDerWaalsContact CZ3-CD1 3.42Å; W461-F464 AromaticContact CZ3-CE1 3.57Å; W461-F464 HydrophobicContact CZ3-CE1 3.57Å; W461-F464 PolarHBondContact O-N 2.95Å; F464-K466 VanDerWaalsContact C-N 3.26Å; F464-K466 PolarHBondContact O-N 3.12Å; F464-K467 PolarHBondContact O-N 3.34Å; F464-V506 HydrophobicContact CE1-CG1 4.32Å; F464-V506 HydrophobicContact CE2-CB 4.34Å; F464-V506 HydrophobicContact CE2-CG1 3.97Å; F464-V506 HydrophobicContact CZ-CG1 3.69Å; F464-I536 HydrophobicContact CB-CD1 3.85Å; F464-I536 HydrophobicContact CD2-CD1 4.11Å; F464-I536 HydrophobicContact CG-CD1 3.92Å
465	R	89.4	Confident	90.1	Very high	139 Å²	139	37.3 Å²	37.3	53%	0.525	18%	0.179	S	C	.	.	H	α-helix	trans	-60	-35.5	177.8	-68.3	-172.6	-162.3	111.5	-4.3	112.9	W461 K467 E630	W461-R465 HydrophobicContact CE3-CG 4.37Å; W461-R465 WeakPolarHBondContact O-CG 3.48Å; W461-R465 PolarHBondContact O-N 2.92Å; R465-K467 VanDerWaalsContact C-N 3.29Å; R465-E630 IonicContact CZ-OE1 3.93Å; R465-E630 VanDerWaalsContact NH1-CD 3.3Å; R465-E630 IonicContact NH1-OE1 3.2Å; R465-E630 PolarHBondContact NH1-OE1 2.8Å; R465-E630 IonicContact NH1-OE2 2.7Å; R465-E630 PolarHBondContact NH1-OE2 3.49Å; R465-E630 VanDerWaalsContact NH1-OE2 3.07Å; R465-E630 IonicContact NH2-OE1 2.92Å; R465-E630 PolarHBondContact NH2-OE1 3.11Å
466	K	85.5	Confident	89.5	Confident	118 Å²	118	47.4 Å²	47.4	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.1	177.3	-64.8	-178.5	-177.1	-172.3	0	113.6	G462 R463 F464 Q468	G462-K466 WeakPolarHBondContact O-CG 3.43Å; G462-K466 PolarHBondContact O-N 3.01Å; R463-K466 CarbonylContact O-C 3.58Å; R463-K466 PolarHBondContact O-N 3.29Å; F464-K466 VanDerWaalsContact C-N 3.26Å; F464-K466 PolarHBondContact O-N 3.12Å; K466-Q468 HydrophobicContact CB-CG 3.99Å; K466-Q468 PolarHBondContact O-N 3.46Å
467	K	86.6	Confident	89	Confident	162 Å²	162	50.6 Å²	50.6	70%	0.704	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	35.9	-173.6	-58.4	-172.9	177.1	-173.2	0	113.8	R463 F464 R465 C469	R463-K467 PolarHBondContact O-N 2.92Å; F464-K467 PolarHBondContact O-N 3.34Å; R465-K467 VanDerWaalsContact C-N 3.29Å; K467-C469 PolarHBondContact O-N 3.12Å
468	Q	86.5	Confident	88.8	Confident	80 Å²	80	51.9 Å²	51.9	37%	0.374	25%	0.253	S	S	.	.			trans	-98.6	73.4	179.9	-70.3	177.8	-28.7	0	0	110.9	R463 K466	R463-Q468 HydrophobicContact CB-CB 4.3Å; R463-Q468 WeakPolarHBondContact CD-O 3.49Å; R463-Q468 HydrophobicContact CG-CB 4.26Å; R463-Q468 PolarHBondContact O-N 3.38Å; K466-Q468 HydrophobicContact CB-CG 3.99Å; K466-Q468 PolarHBondContact O-N 3.46Å
469	C	90	Very high	88.7	Confident	19 Å²	19	54.2 Å²	54.2	13%	0.128	27%	0.27	C	S	.	.			trans	-87.8	166.5	178.6	55.8	0	0	0	0	113.8	R456 V457 Y458 K467	R456-C469 HydrophobicContact CB-CB 4.05Å; R456-C469 HydrophobicContact CG-CB 4.36Å; V457-C469 CarbonylContact O-C 3.47Å; V457-C469 VanDerWaalsContact O-CA 3.26Å; V457-C469 WeakPolarHBondContact O-CA 3.45Å; V457-C469 WeakPolarHBondContact O-CB 3.26Å; Y458-C469 HydrophobicContact CD1-CB 3.83Å; Y458-C469 HydrophobicContact CE1-CB 3.41Å; Y458-C469 VanDerWaalsContact CE1-CB 3.41Å; Y458-C469 HydrophobicContact CE2-CB 4.13Å; Y458-C469 HydrophobicContact CG-CB 4.39Å; K467-C469 PolarHBondContact O-N 3.12Å
470	R	90.4	Very high	88.7	Confident	23 Å²	23	54.2 Å²	54.2	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.7	158.7	-60	-65.5	-105	170.3	-3.6	109.2	E145 V457 A490 F491	E145-R470 IonicContact OE2-NH1 2.61Å; V457-R470 PolarHBondContact N-O 3.08Å; V457-R470 PolarHBondContact O-N 2.84Å; R470-A490 HydrophobicContact CB-CB 4.03Å; R470-A490 HydrophobicContact CG-CB 4.34Å; R470-A490 PolarHBondContact NE-O 3.24Å; R470-F491 HydrophobicContact CB-CZ 4.15Å; R470-F491 HydrophobicContact CG-CD1 4.25Å; R470-F491 HydrophobicContact CG-CE1 3.65Å; R470-F491 HydrophobicContact CG-CE2 4.33Å; R470-F491 HydrophobicContact CG-CZ 3.69Å
471	Y	90.5	Very high	88.6	Confident	20 Å²	20	56.9 Å²	56.9	8%	0.078	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.1	179.8	-61.8	-87	0	0	0	110.8	D424 V455 R456	D424-Y471 PolarHBondContact OD1-OH 3.29Å; V455-Y471 WeakPolarHBondContact O-CA 3.21Å; R456-Y471 HydrophobicContact CG-CD1 3.94Å; R456-Y471 HydrophobicContact CG-CE1 3.5Å; R456-Y471 VanDerWaalsContact CG-CE1 3.5Å
472	L	90.5	Very high	88.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	171.4	-62.7	-175.6	0	0	0	109.6	Y454 V455 V457 L474 V483 L486 A490	Y454-L472 WeakPolarHBondContact CA-O 3.19Å; V455-L472 PolarHBondContact N-O 3.45Å; V455-L472 PolarHBondContact O-N 3.15Å; V457-L472 HydrophobicContact CG2-CB 4.36Å; V457-L472 HydrophobicContact CG2-CD1 3.6Å; V457-L472 HydrophobicContact CG2-CG 3.62Å; L472-L474 HydrophobicContact CB-CD2 4.04Å; L472-L474 HydrophobicContact CB-CG 4.3Å; L472-V483 HydrophobicContact CD1-CG1 4.25Å; L472-L486 HydrophobicContact CD1-CB 3.83Å; L472-L486 HydrophobicContact CD2-CB 4.17Å; L472-A490 HydrophobicContact CD2-CB 4.08Å
473	S	87.9	Confident	88.9	Confident	34 Å²	34	58 Å²	58	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.3	166.9	178.3	0	0	0	0	108.5	S428	S428-S473 PolarHBondContact OG-N 2.92Å
474	L	87.1	Confident	89.2	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	29%	0.285	C	S	.	.			trans	-116.1	135.2	-175.5	-57.5	-178.8	0	0	0	111	D453 V455 L472 V478 V483 L486 F522	D453-L474 PolarHBondContact O-N 3.28Å; V455-L474 HydrophobicContact CB-CD1 4.31Å; V455-L474 HydrophobicContact CG2-CD1 3.61Å; V455-L474 HydrophobicContact CG2-CG 4.26Å; L472-L474 HydrophobicContact CB-CD2 4.04Å; L472-L474 HydrophobicContact CB-CG 4.3Å; L474-V478 HydrophobicContact CB-CG2 4.39Å; L474-V483 HydrophobicContact CD1-CG1 4.12Å; L474-V483 HydrophobicContact CD1-CG2 3.74Å; L474-V483 HydrophobicContact CD2-CG2 4.18Å; L474-L486 HydrophobicContact CD2-CD1 3.74Å; L474-F522 HydrophobicContact CD1-CD1 3.68Å; L474-F522 HydrophobicContact CD1-CE1 3.73Å; L474-F522 HydrophobicContact CD1-CG 4.29Å; L474-F522 HydrophobicContact CD1-CZ 4.33Å
475	G	82.8	Confident	89.3	Confident	45 Å²	45	57.8 Å²	57.8	46%	0.464	29%	0.287	S	S	.	.			trans	-65.9	169.7	171	0	0	0	0	0	113	S477	G475-S477 VanDerWaalsContact C-N 3.26Å; G475-S477 PolarHBondContact O-N 3.35Å
476	R	78.1	Confident	89.5	Confident	220 Å²	220	52.8 Å²	52.8	83%	0.83	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.4	-176.3	-66.3	-176.5	-178.7	177.6	-0.1	114.2
477	S	83.6	Confident	89.9	Confident	110 Å²	110	47.1 Å²	47.1	77%	0.769	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129	56.8	-172.7	50.8	0	0	0	0	113.1	G475	G475-S477 VanDerWaalsContact C-N 3.26Å; G475-S477 PolarHBondContact O-N 3.35Å
478	V	90.3	Very high	90.3	Very high	27 Å²	27	39.4 Å²	39.4	16%	0.164	21%	0.212	C	C	.	.			trans	-93.9	133.8	177.6	-178.4	0	0	0	0	110.7	L474 K482 V483 F522	L474-V478 HydrophobicContact CB-CG2 4.39Å; V478-K482 HydrophobicContact CG1-CB 3.76Å; V478-K482 HydrophobicContact CG1-CG 3.81Å; V478-V483 HydrophobicContact CB-CG2 4.49Å; V478-V483 HydrophobicContact CG1-CG2 3.71Å; V478-F522 WeakPolarHBondContact O-CB 3.49Å; V478-F522 PolarHBondContact O-N 2.7Å
479	S	92.9	Very high	90.6	Very high	53 Å²	53	36.4 Å²	36.4	37%	0.371	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-73.2	149.5	174.9	67.4	0	0	0	0	112	L481 K482 V483 G520	S479-L481 VanDerWaalsContact C-N 3.26Å; S479-L481 PolarHBondContact O-N 2.71Å; S479-K482 WeakPolarHBondContact O-CB 3.48Å; S479-K482 PolarHBondContact O-N 2.93Å; S479-K482 WeakPolarHBondContact OG-CB 3.08Å; S479-K482 PolarHBondContact OG-N 2.81Å; S479-V483 WeakPolarHBondContact O-CG2 3.49Å; S479-V483 PolarHBondContact O-N 3.45Å; S479-V483 VanDerWaalsContact O-N 3.07Å; S479-G520 WeakPolarHBondContact CA-O 3.11Å
480	V	94.1	Very high	90.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-40.6	177.1	175.2	0	0	0	0	111.7	K482 V483 I484 L503 L516 H517 G520 F522	V480-K482 VanDerWaalsContact C-N 3.27Å; V480-K482 PolarHBondContact O-N 2.78Å; V480-V483 WeakPolarHBondContact O-CB 3.37Å; V480-V483 PolarHBondContact O-N 3.41Å; V480-V483 VanDerWaalsContact O-N 3.1Å; V480-I484 HydrophobicContact CG1-CD1 4.4Å; V480-I484 WeakPolarHBondContact O-CG1 3.41Å; V480-I484 PolarHBondContact O-N 2.85Å; V480-L503 HydrophobicContact CG1-CD1 4.21Å; V480-L516 HydrophobicContact CG1-CB 4.12Å; V480-L516 HydrophobicContact CG2-CB 4.43Å; V480-H517 WeakPolarHBondContact CB-O 3.23Å; V480-H517 VanDerWaalsContact CG2-O 3.27Å; V480-H517 WeakPolarHBondContact CG2-O 3.16Å; V480-G520 PolarHBondContact N-O 2.77Å; V480-F522 HydrophobicContact CG2-CB 4.26Å; V480-F522 HydrophobicContact CG2-CD2 4.43Å
481	L	94.1	Very high	90.7	Very high	56 Å²	56	35.2 Å²	35.2	29%	0.293	19%	0.194	S	C	.	.	H	α-helix	trans	-57.5	-40.7	174.9	-177.4	64.2	0	0	0	112.1	S479 V483 I484 E485 A498	S479-L481 VanDerWaalsContact C-N 3.26Å; S479-L481 PolarHBondContact O-N 2.71Å; L481-V483 VanDerWaalsContact C-N 3.34Å; L481-I484 WeakPolarHBondContact O-CB 3.48Å; L481-I484 PolarHBondContact O-N 2.95Å; L481-E485 PolarHBondContact O-N 3.02Å; L481-A498 HydrophobicContact CD1-CB 4Å
482	K	92.2	Very high	90.7	Very high	62 Å²	62	34.8 Å²	34.8	27%	0.27	19%	0.193	S	C	.	.	H	α-helix	trans	-67.9	-36	177.3	-176.7	60.8	-175.8	179.9	0	112	V478 S479 V480 I484 E485 L486	V478-K482 HydrophobicContact CG1-CB 3.76Å; V478-K482 HydrophobicContact CG1-CG 3.81Å; S479-K482 WeakPolarHBondContact O-CB 3.48Å; S479-K482 PolarHBondContact O-N 2.93Å; S479-K482 WeakPolarHBondContact OG-CB 3.08Å; S479-K482 PolarHBondContact OG-N 2.81Å; V480-K482 VanDerWaalsContact C-N 3.27Å; V480-K482 PolarHBondContact O-N 2.78Å; K482-I484 VanDerWaalsContact C-N 3.31Å; K482-E485 VanDerWaalsContact CD-OE2 3.3Å; K482-E485 WeakPolarHBondContact CD-OE2 3Å; K482-E485 IonicContact NZ-OE2 3.98Å; K482-E485 PolarHBondContact NZ-OE2 2.78Å; K482-E485 PolarHBondContact O-N 3.29Å; K482-L486 HydrophobicContact CG-CD1 4.43Å; K482-L486 WeakPolarHBondContact O-CG 3.25Å; K482-L486 PolarHBondContact O-N 2.88Å
483	V	94.1	Very high	90.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-38.8	173.2	-175.4	0	0	0	0	110.8	L472 L474 V478 S479 V480 L481 L486 S487 L503 F522 I535	L472-V483 HydrophobicContact CD1-CG1 4.25Å; L474-V483 HydrophobicContact CD1-CG1 4.12Å; L474-V483 HydrophobicContact CD1-CG2 3.74Å; L474-V483 HydrophobicContact CD2-CG2 4.18Å; V478-V483 HydrophobicContact CB-CG2 4.49Å; V478-V483 HydrophobicContact CG1-CG2 3.71Å; S479-V483 WeakPolarHBondContact O-CG2 3.49Å; S479-V483 PolarHBondContact O-N 3.45Å; S479-V483 VanDerWaalsContact O-N 3.07Å; V480-V483 WeakPolarHBondContact O-CB 3.37Å; V480-V483 PolarHBondContact O-N 3.41Å; V480-V483 VanDerWaalsContact O-N 3.1Å; L481-V483 VanDerWaalsContact C-N 3.34Å; V483-L486 PolarHBondContact O-N 2.94Å; V483-S487 VanDerWaalsContact O-CB 3.28Å; V483-S487 WeakPolarHBondContact O-CB 3.47Å; V483-S487 PolarHBondContact O-N 2.76Å; V483-S487 PolarHBondContact O-OG 2.73Å; V483-L503 HydrophobicContact CB-CD1 3.92Å; V483-L503 HydrophobicContact CG1-CD1 3.66Å; V483-F522 HydrophobicContact CB-CD2 4.2Å; V483-F522 HydrophobicContact CG1-CD2 4.12Å; V483-F522 HydrophobicContact CG1-CE2 4.06Å; V483-F522 HydrophobicContact CG2-CB 3.83Å; V483-F522 HydrophobicContact CG2-CD1 4.46Å; V483-F522 HydrophobicContact CG2-CD2 3.79Å; V483-F522 HydrophobicContact CG2-CE2 4.49Å; V483-F522 HydrophobicContact CG2-CG 3.76Å; V483-I535 HydrophobicContact CG1-CD1 3.77Å
484	I	95.1	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-49.1	173.2	-63.2	165.4	0	0	0	110.6	V480 L481 K482 L486 S487 L488 A498 L503	V480-I484 HydrophobicContact CG1-CD1 4.4Å; V480-I484 WeakPolarHBondContact O-CG1 3.41Å; V480-I484 PolarHBondContact O-N 2.85Å; L481-I484 WeakPolarHBondContact O-CB 3.48Å; L481-I484 PolarHBondContact O-N 2.95Å; K482-I484 VanDerWaalsContact C-N 3.31Å; I484-L486 VanDerWaalsContact C-N 3.31Å; I484-L486 PolarHBondContact O-N 3.41Å; I484-S487 WeakPolarHBondContact O-CB 3.38Å; I484-S487 PolarHBondContact O-N 2.86Å; I484-S487 VanDerWaalsContact O-N 3.15Å; I484-L488 HydrophobicContact CG2-CD1 4.03Å; I484-L488 HydrophobicContact CG2-CG 4.29Å; I484-L488 WeakPolarHBondContact O-CG 3.31Å; I484-L488 PolarHBondContact O-N 3.11Å; I484-A498 HydrophobicContact CB-CB 4.32Å; I484-A498 HydrophobicContact CG2-CB 3.75Å; I484-L503 HydrophobicContact CD1-CG 4.4Å; I484-L503 HydrophobicContact CG1-CD1 3.81Å; I484-L503 HydrophobicContact CG1-CD2 4.11Å; I484-L503 HydrophobicContact CG1-CG 3.61Å
485	E	93.8	Very high	91.1	Very high	39 Å²	39	33.2 Å²	33.2	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-44.4	177.2	-67.7	-178.6	179.7	0	0	112.3	L481 K482 K489 P495 A498	L481-E485 PolarHBondContact O-N 3.02Å; K482-E485 VanDerWaalsContact CD-OE2 3.3Å; K482-E485 WeakPolarHBondContact CD-OE2 3Å; K482-E485 IonicContact NZ-OE2 3.98Å; K482-E485 PolarHBondContact NZ-OE2 2.78Å; K482-E485 PolarHBondContact O-N 3.29Å; E485-K489 WeakPolarHBondContact O-CD 3.48Å; E485-K489 VanDerWaalsContact O-CG 3.26Å; E485-K489 WeakPolarHBondContact O-CG 3.2Å; E485-K489 PolarHBondContact O-N 3.18Å; E485-P495 HydrophobicContact CB-CB 4.44Å; E485-A498 HydrophobicContact CG-CB 3.85Å
486	L	93	Very high	91.3	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-37.7	178.4	-69.1	173.6	0	0	0	112	L472 L474 K482 V483 I484 K489 A490	L472-L486 HydrophobicContact CD1-CB 3.83Å; L472-L486 HydrophobicContact CD2-CB 4.17Å; L474-L486 HydrophobicContact CD2-CD1 3.74Å; K482-L486 HydrophobicContact CG-CD1 4.43Å; K482-L486 WeakPolarHBondContact O-CG 3.25Å; K482-L486 PolarHBondContact O-N 2.88Å; V483-L486 PolarHBondContact O-N 2.94Å; I484-L486 VanDerWaalsContact C-N 3.31Å; I484-L486 PolarHBondContact O-N 3.41Å; L486-K489 HydrophobicContact CD2-CD 4.41Å; L486-K489 PolarHBondContact O-N 2.76Å; L486-A490 WeakPolarHBondContact O-CB 3.24Å; L486-A490 PolarHBondContact O-N 3.47Å
487	S	94.9	Very high	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-47.8	176.1	-59.7	0	0	0	0	110.8	V457 V483 I484 K489 A490 F491	V457-S487 WeakPolarHBondContact CG1-OG 3.22Å; V483-S487 VanDerWaalsContact O-CB 3.28Å; V483-S487 WeakPolarHBondContact O-CB 3.47Å; V483-S487 PolarHBondContact O-N 2.76Å; V483-S487 PolarHBondContact O-OG 2.73Å; I484-S487 WeakPolarHBondContact O-CB 3.38Å; I484-S487 PolarHBondContact O-N 2.86Å; I484-S487 VanDerWaalsContact O-N 3.15Å; S487-K489 VanDerWaalsContact C-N 3.34Å; S487-K489 PolarHBondContact O-N 3.24Å; S487-A490 WeakPolarHBondContact O-CB 3.42Å; S487-A490 PolarHBondContact O-N 2.74Å; S487-F491 VanDerWaalsContact O-CD2 3.25Å; S487-F491 WeakPolarHBondContact O-CD2 3.2Å; S487-F491 PolarHBondContact O-N 3.19Å
488	L	94.4	Very high	92.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-43.6	175.9	-66.9	175.4	0	0	0	111.5	I484 A490 F491 Q492 L493 P494 A498 Y501 I537	I484-L488 HydrophobicContact CG2-CD1 4.03Å; I484-L488 HydrophobicContact CG2-CG 4.29Å; I484-L488 WeakPolarHBondContact O-CG 3.31Å; I484-L488 PolarHBondContact O-N 3.11Å; L488-A490 VanDerWaalsContact C-N 3.34Å; L488-A490 PolarHBondContact O-N 2.99Å; L488-F491 CarbonylContact O-C 3.5Å; L488-F491 PolarHBondContact O-N 3.41Å; L488-Q492 PolarHBondContact O-N 3.02Å; L488-Q492 VanDerWaalsContact O-N 3.09Å; L488-L493 HydrophobicContact CB-CB 4Å; L488-L493 HydrophobicContact CD2-CB 3.88Å; L488-L493 HydrophobicContact CD2-CD1 3.74Å; L488-L493 HydrophobicContact CD2-CG 4.49Å; L488-L493 PolarHBondContact O-N 3.33Å; L488-P494 WeakPolarHBondContact CD1-O 3.24Å; L488-A498 HydrophobicContact CD1-CB 4.08Å; L488-Y501 HydrophobicContact CD1-CD2 3.8Å; L488-Y501 HydrophobicContact CD1-CE2 4.04Å; L488-Y501 HydrophobicContact CD2-CD2 3.97Å; L488-Y501 HydrophobicContact CD2-CE2 3.95Å; L488-Y501 HydrophobicContact CD2-CG 4.39Å; L488-Y501 HydrophobicContact CG-CD2 4.47Å; L488-I537 HydrophobicContact CD2-CG2 4.45Å
489	K	92	Very high	92.3	Very high	17 Å²	17	27.8 Å²	27.8	7%	0.074	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-44.3	174.1	-72.6	165.5	177.3	177.6	0	112.5	E75 V76 E485 L486 S487 F491 Q492 P495	E75-K489 HydrophobicContact CB-CD 4.06Å; E75-K489 IonicContact OE1-NZ 2.68Å; E75-K489 PolarHBondContact OE1-NZ 3.08Å; E75-K489 IonicContact OE2-NZ 3.27Å; E75-K489 PolarHBondContact OE2-NZ 2.99Å; V76-K489 HydrophobicContact CG2-CG 4.03Å; E485-K489 WeakPolarHBondContact O-CD 3.48Å; E485-K489 VanDerWaalsContact O-CG 3.26Å; E485-K489 WeakPolarHBondContact O-CG 3.2Å; E485-K489 PolarHBondContact O-N 3.18Å; L486-K489 HydrophobicContact CD2-CD 4.41Å; L486-K489 PolarHBondContact O-N 2.76Å; S487-K489 VanDerWaalsContact C-N 3.34Å; S487-K489 PolarHBondContact O-N 3.24Å; K489-F491 PolarHBondContact O-N 3.13Å; K489-Q492 PolarHBondContact O-N 2.75Å; K489-P495 HydrophobicContact CD-CB 4.49Å; K489-P495 HydrophobicContact CG-CB 4.07Å; K489-P495 HydrophobicContact CG-CG 4.3Å
490	A	90.9	Very high	92.2	Very high	17 Å²	17	27.9 Å²	27.9	14%	0.14	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-26.5	-179.6	0	0	0	0	0	113.5	R470 L472 L486 S487 L488	R470-A490 HydrophobicContact CB-CB 4.03Å; R470-A490 HydrophobicContact CG-CB 4.34Å; R470-A490 PolarHBondContact NE-O 3.24Å; L472-A490 HydrophobicContact CD2-CB 4.08Å; L486-A490 WeakPolarHBondContact O-CB 3.24Å; L486-A490 PolarHBondContact O-N 3.47Å; S487-A490 WeakPolarHBondContact O-CB 3.42Å; S487-A490 PolarHBondContact O-N 2.74Å; L488-A490 VanDerWaalsContact C-N 3.34Å; L488-A490 PolarHBondContact O-N 2.99Å
491	F	92.2	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.1	174.6	-67.5	-71.2	0	0	0	114	F149 V457 D459 R470 S487 L488 K489 L493 I537 R633	F149-F491 HydrophobicContact CE1-CB 4.47Å; F149-F491 HydrophobicContact CE1-CD1 4.31Å; F149-F491 HydrophobicContact CZ-CD1 4.39Å; V457-F491 HydrophobicContact CB-CE2 4.27Å; V457-F491 HydrophobicContact CG1-CE2 3.85Å; V457-F491 WeakPolarHBondContact O-CZ 3.26Å; D459-F491 HydrophobicContact CB-CD1 3.95Å; D459-F491 HydrophobicContact CB-CD2 4.05Å; D459-F491 HydrophobicContact CB-CE1 4.05Å; D459-F491 HydrophobicContact CB-CE2 4.15Å; D459-F491 HydrophobicContact CB-CG 3.96Å; D459-F491 HydrophobicContact CB-CZ 4.16Å; R470-F491 HydrophobicContact CB-CZ 4.15Å; R470-F491 HydrophobicContact CG-CD1 4.25Å; R470-F491 HydrophobicContact CG-CE1 3.65Å; R470-F491 HydrophobicContact CG-CE2 4.33Å; R470-F491 HydrophobicContact CG-CZ 3.69Å; S487-F491 VanDerWaalsContact O-CD2 3.25Å; S487-F491 WeakPolarHBondContact O-CD2 3.2Å; S487-F491 PolarHBondContact O-N 3.19Å; L488-F491 CarbonylContact O-C 3.5Å; L488-F491 PolarHBondContact O-N 3.41Å; K489-F491 PolarHBondContact O-N 3.13Å; F491-L493 VanDerWaalsContact C-N 3.34Å; F491-L493 HydrophobicContact CB-CD1 4.46Å; F491-L493 PolarHBondContact O-N 2.84Å; F491-I537 HydrophobicContact CD2-CD1 3.73Å; F491-I537 HydrophobicContact CE2-CD1 4.04Å; F491-R633 WeakPolarHBondContact O-CD 3.42Å; F491-R633 PolarHBondContact O-NH1 2.99Å
492	Q	91	Very high	92.3	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.047	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	53.3	-178.2	-57	-170.4	37.9	0	0	112.6	V76 T94 C95 V122 F149 L488 K489 R633	V76-Q492 HydrophobicContact CG1-CB 4.4Å; V76-Q492 HydrophobicContact CG1-CG 4.39Å; T94-Q492 PolarHBondContact OG1-OE1 3.27Å; C95-Q492 WeakPolarHBondContact CA-O 3.38Å; C95-Q492 WeakPolarHBondContact CB-O 3.41Å; V122-Q492 VanDerWaalsContact CG1-OE1 3.25Å; F149-Q492 HydrophobicContact CB-CB 4.43Å; F149-Q492 HydrophobicContact CB-CG 4.16Å; F149-Q492 HydrophobicContact CD1-CB 4.12Å; F149-Q492 HydrophobicContact CD1-CG 4.1Å; F149-Q492 HydrophobicContact CD2-CG 4.39Å; F149-Q492 HydrophobicContact CG-CB 4.36Å; F149-Q492 HydrophobicContact CG-CG 3.96Å; L488-Q492 PolarHBondContact O-N 3.02Å; L488-Q492 VanDerWaalsContact O-N 3.09Å; K489-Q492 PolarHBondContact O-N 2.75Å; Q492-R633 PolarHBondContact O-NH1 2.78Å; Q492-R633 VanDerWaalsContact O-NH1 3.14Å
493	L	91.6	Very high	92.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.			trans	-113.8	153.8	171.2	-71.5	172.5	0	0	0	110.4	F99 L488 F491 P495 V632 R633 R636	F99-L493 HydrophobicContact CZ-CD2 4.21Å; L488-L493 HydrophobicContact CB-CB 4Å; L488-L493 HydrophobicContact CD2-CB 3.88Å; L488-L493 HydrophobicContact CD2-CD1 3.74Å; L488-L493 HydrophobicContact CD2-CG 4.49Å; L488-L493 PolarHBondContact O-N 3.33Å; F491-L493 VanDerWaalsContact C-N 3.34Å; F491-L493 HydrophobicContact CB-CD1 4.46Å; F491-L493 PolarHBondContact O-N 2.84Å; L493-P495 VanDerWaalsContact O-CD 3.24Å; L493-P495 WeakPolarHBondContact O-CD 3.33Å; L493-V632 HydrophobicContact CD1-CG2 3.84Å; L493-R633 HydrophobicContact CD1-CB 4.1Å; L493-R633 HydrophobicContact CD2-CB 4.4Å; L493-R633 HydrophobicContact CD2-CG 4.08Å; L493-R633 HydrophobicContact CG-CB 4.49Å; L493-R633 HydrophobicContact CG-CG 4.36Å; L493-R636 HydrophobicContact CD2-CB 4.44Å; L493-R636 HydrophobicContact CD2-CG 4.38Å
494	P	91.2	Very high	92.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.013	11%	0.113	C	C	.	.			trans	-49.3	112.3	172.4	-35.6	43.1	0	0	0	113.5	W39 I96 F99 L488 D496 E497	W39-P494 HydrophobicContact CH2-CB 3.88Å; I96-P494 HydrophobicContact CG2-CG 4.13Å; F99-P494 HydrophobicContact CE2-CG 4.17Å; L488-P494 WeakPolarHBondContact CD1-O 3.24Å; P494-D496 VanDerWaalsContact C-N 3.29Å; P494-D496 WeakPolarHBondContact CB-OD1 3.48Å; P494-D496 PolarHBondContact O-N 3.21Å; P494-E497 HydrophobicContact CB-CB 4.23Å; P494-E497 HydrophobicContact CB-CG 3.75Å; P494-E497 PolarHBondContact O-N 3.44Å
495	P	90.7	Very high	92.5	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-72.3	-17.4	179.6	25.9	-33.4	0	0	0	114.4	W39 V76 E485 K489 L493 E497 A498	W39-P495 HydrophobicContact CZ2-CG 4.3Å; V76-P495 HydrophobicContact CG2-CG 4.36Å; E485-P495 HydrophobicContact CB-CB 4.44Å; K489-P495 HydrophobicContact CD-CB 4.49Å; K489-P495 HydrophobicContact CG-CB 4.07Å; K489-P495 HydrophobicContact CG-CG 4.3Å; L493-P495 VanDerWaalsContact O-CD 3.24Å; L493-P495 WeakPolarHBondContact O-CD 3.33Å; P495-E497 VanDerWaalsContact C-N 3.32Å; P495-A498 VanDerWaalsContact O-CB 3.31Å; P495-A498 WeakPolarHBondContact O-CB 3.29Å; P495-A498 PolarHBondContact O-N 2.95Å
496	D	87.2	Confident	92.4	Very high	48 Å²	48	22.8 Å²	22.8	26%	0.257	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-73.7	-25	176.3	69.2	-35.9	0	0	0	112.7	W39 N180 P494 A498	W39-D496 HydrophobicContact CD2-CB 4.5Å; W39-D496 HydrophobicContact CH2-CB 4.08Å; W39-D496 WeakPolarHBondContact CH2-OD1 3.47Å; W39-D496 HydrophobicContact CZ2-CB 3.47Å; W39-D496 VanDerWaalsContact CZ2-CB 3.47Å; W39-D496 WeakPolarHBondContact CZ2-OD1 3.35Å; N180-D496 PolarHBondContact ND2-OD2 2.82Å; P494-D496 VanDerWaalsContact C-N 3.29Å; P494-D496 WeakPolarHBondContact CB-OD1 3.48Å; P494-D496 PolarHBondContact O-N 3.21Å; D496-A498 PolarHBondContact O-N 3.21Å
497	E	89.2	Confident	92.3	Very high	36 Å²	36	22.5 Å²	22.5	17%	0.168	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-72.5	3	172.7	-63.9	179.3	-169.4	0	0	112.4	P494 P495 R499 D500 Y501 R636	P494-E497 HydrophobicContact CB-CB 4.23Å; P494-E497 HydrophobicContact CB-CG 3.75Å; P494-E497 PolarHBondContact O-N 3.44Å; P495-E497 VanDerWaalsContact C-N 3.32Å; E497-R499 PolarHBondContact O-N 3.09Å; E497-D500 WeakPolarHBondContact O-CB 3.47Å; E497-D500 PolarHBondContact O-N 3.14Å; E497-Y501 HydrophobicContact CB-CE2 3.91Å; E497-Y501 WeakPolarHBondContact O-CD2 3.46Å; E497-Y501 WeakPolarHBondContact O-CE2 3.37Å; E497-R636 IonicContact OE1-CZ 3.22Å; E497-R636 IonicContact OE1-NE 3.97Å; E497-R636 IonicContact OE1-NH2 2.77Å; E497-R636 PolarHBondContact OE1-NH2 3.18Å; E497-R636 IonicContact OE2-CZ 3.92Å; E497-R636 IonicContact OE2-NE 3.86Å; E497-R636 PolarHBondContact OE2-NE 3.44Å; E497-R636 IonicContact OE2-NH2 2.97Å
498	A	91.9	Very high	91.6	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.033	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-51.5	-27.3	-178.3	0	0	0	0	0	114.5	L481 I484 E485 L488 P495 D496 D500 Y501	L481-A498 HydrophobicContact CD1-CB 4Å; I484-A498 HydrophobicContact CB-CB 4.32Å; I484-A498 HydrophobicContact CG2-CB 3.75Å; E485-A498 HydrophobicContact CG-CB 3.85Å; L488-A498 HydrophobicContact CD1-CB 4.08Å; P495-A498 VanDerWaalsContact O-CB 3.31Å; P495-A498 WeakPolarHBondContact O-CB 3.29Å; P495-A498 PolarHBondContact O-N 2.95Å; D496-A498 PolarHBondContact O-N 3.21Å; A498-D500 VanDerWaalsContact C-N 3.28Å; A498-D500 PolarHBondContact O-N 3.05Å; A498-Y501 PolarHBondContact O-N 3.3Å
499	R	91.1	Very high	91	Very high	200 Å²	200	37 Å²	37	76%	0.755	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-69.4	-23.8	176.9	-65	-176.8	177.1	-173.3	-1.5	113.5	E497 Y501 R540	E497-R499 PolarHBondContact O-N 3.09Å; R499-Y501 PolarHBondContact O-N 3.32Å; R499-R540 WeakPolarHBondContact O-CD 3.45Å; R499-R540 PolarHBondContact O-NE 3.32Å; R499-R540 VanDerWaalsContact O-NE 3.08Å
500	D	91.6	Very high	90.7	Very high	55 Å²	55	41.2 Å²	41.2	29%	0.294	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-79	-3.5	177.2	-68.9	-46.9	0	0	0	112.9	E497 A498 R540 R542	E497-D500 WeakPolarHBondContact O-CB 3.47Å; E497-D500 PolarHBondContact O-N 3.14Å; A498-D500 VanDerWaalsContact C-N 3.28Å; A498-D500 PolarHBondContact O-N 3.05Å; D500-R540 WeakPolarHBondContact O-CB 3.33Å; D500-R540 PolarHBondContact O-N 3.48Å; D500-R542 IonicContact OD1-CZ 3.98Å; D500-R542 IonicContact OD1-NE 3.87Å; D500-R542 IonicContact OD1-NH2 3Å; D500-R542 PolarHBondContact OD1-NH2 2.91Å; D500-R542 IonicContact OD2-NH2 3.68Å
501	Y	94.9	Very high	90.3	Very high	6 Å²	6	41.7 Å²	41.7	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	164.4	-176.8	-53.7	-83.5	0	0	0	112.5	L488 E497 A498 R499 I537 R538 R540 V632	L488-Y501 HydrophobicContact CD1-CD2 3.8Å; L488-Y501 HydrophobicContact CD1-CE2 4.04Å; L488-Y501 HydrophobicContact CD2-CD2 3.97Å; L488-Y501 HydrophobicContact CD2-CE2 3.95Å; L488-Y501 HydrophobicContact CD2-CG 4.39Å; L488-Y501 HydrophobicContact CG-CD2 4.47Å; E497-Y501 HydrophobicContact CB-CE2 3.91Å; E497-Y501 WeakPolarHBondContact O-CD2 3.46Å; E497-Y501 WeakPolarHBondContact O-CE2 3.37Å; A498-Y501 PolarHBondContact O-N 3.3Å; R499-Y501 PolarHBondContact O-N 3.32Å; Y501-I537 HydrophobicContact CD1-CG2 4Å; Y501-I537 HydrophobicContact CG-CG2 4.14Å; Y501-R538 CarbonylContact C-O 3.54Å; Y501-R538 WeakPolarHBondContact CA-O 3.35Å; Y501-R538 WeakPolarHBondContact CB-O 3.49Å; Y501-R540 PolarHBondContact O-NE 3.44Å; Y501-R540 PolarHBondContact O-NH2 2.88Å; Y501-R540 VanDerWaalsContact O-NH2 3.11Å; Y501-V632 HydrophobicContact CD1-CB 4.27Å; Y501-V632 HydrophobicContact CD1-CG1 4.03Å; Y501-V632 HydrophobicContact CE1-CB 3.82Å; Y501-V632 HydrophobicContact CE1-CG1 4.01Å; Y501-V632 HydrophobicContact CE1-CG2 4.39Å
502	Y	94.9	Very high	90.2	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	168	168.2	68.6	-84.4	0	0	0	109.8	V504 R515 R538 S539 R540	Y502-V504 HydrophobicContact CD2-CG1 4.07Å; Y502-V504 HydrophobicContact CE2-CG1 3.59Å; Y502-R515 HydrophobicContact CD2-CG 3.88Å; Y502-R515 HydrophobicContact CE2-CG 4.11Å; Y502-R538 HydrophobicContact CD1-CB 3.75Å; Y502-R538 HydrophobicContact CD2-CB 3.95Å; Y502-R538 HydrophobicContact CD2-CG 4.31Å; Y502-R538 HydrophobicContact CE1-CB 3.37Å; Y502-R538 HydrophobicContact CE1-CG 4.34Å; Y502-R538 HydrophobicContact CE2-CB 3.57Å; Y502-R538 HydrophobicContact CE2-CG 3.72Å; Y502-R538 HydrophobicContact CG-CB 4.04Å; Y502-R538 PolarHBondContact N-O 3.5Å; Y502-R538 PolarHBondContact O-N 3.12Å; Y502-S539 VanDerWaalsContact CE1-O 3.24Å; Y502-S539 WeakPolarHBondContact CE1-O 3.38Å; Y502-R540 HydrophobicContact CD1-CB 4.49Å; Y502-R540 HydrophobicContact CD1-CG 3.72Å
503	L	95.8	Very high	90.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.8	179.2	-62	174.3	0	0	0	110	V480 V483 I484 L516 F522 I535 I537	V480-L503 HydrophobicContact CG1-CD1 4.21Å; V483-L503 HydrophobicContact CB-CD1 3.92Å; V483-L503 HydrophobicContact CG1-CD1 3.66Å; I484-L503 HydrophobicContact CD1-CG 4.4Å; I484-L503 HydrophobicContact CG1-CD1 3.81Å; I484-L503 HydrophobicContact CG1-CD2 4.11Å; I484-L503 HydrophobicContact CG1-CG 3.61Å; L503-L516 HydrophobicContact CB-CB 4.29Å; L503-L516 HydrophobicContact CB-CD1 3.99Å; L503-L516 HydrophobicContact CB-CG 4.47Å; L503-L516 PolarHBondContact O-N 3.4Å; L503-F522 HydrophobicContact CD1-CE2 4.48Å; L503-I535 HydrophobicContact CD1-CD1 3.88Å; L503-I535 HydrophobicContact CD2-CD1 4.17Å; L503-I537 HydrophobicContact CD2-CB 4.49Å; L503-I537 HydrophobicContact CD2-CG1 4.06Å
504	V	94.8	Very high	90.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.4	165.5	-62.7	0	0	0	0	108.5	Y502 V506 E513 H514 R515 I535 I536 R538	Y502-V504 HydrophobicContact CD2-CG1 4.07Å; Y502-V504 HydrophobicContact CE2-CG1 3.59Å; V504-V506 HydrophobicContact CG2-CG2 4.28Å; V504-E513 HydrophobicContact CB-CB 4.4Å; V504-E513 WeakPolarHBondContact CG2-OE2 2.89Å; V504-H514 CarbonylContact C-O 3.59Å; V504-H514 VanDerWaalsContact CA-O 3.27Å; V504-H514 WeakPolarHBondContact CA-O 3.41Å; V504-R515 HydrophobicContact CG1-CB 4.46Å; V504-I535 CarbonylContact O-C 3.59Å; V504-I535 WeakPolarHBondContact O-CA 3.31Å; V504-I536 HydrophobicContact CG2-CB 3.74Å; V504-I536 PolarHBondContact N-O 3.48Å; V504-I536 PolarHBondContact O-N 2.95Å; V504-R538 HydrophobicContact CG1-CG 3.95Å; V504-R538 HydrophobicContact CG2-CG 3.97Å
505	E	95.2	Very high	90.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	140.9	164.1	-161.7	-169.4	-171.9	0	0	108.8	E513 H514 L526 Q527 F528 Q534	E505-E513 CarbonylContact O-C 3.56Å; E505-E513 WeakPolarHBondContact O-CA 3.37Å; E505-H514 HydrophobicContact CB-CB 4.28Å; E505-H514 PolarHBondContact N-O 2.76Å; E505-H514 PolarHBondContact O-N 3.3Å; E505-L526 HydrophobicContact CG-CD2 4.09Å; E505-L526 WeakPolarHBondContact OE2-CA 3.46Å; E505-Q527 PolarHBondContact OE2-N 3.17Å; E505-F528 HydrophobicContact CB-CD2 4.17Å; E505-F528 HydrophobicContact CB-CE2 4.28Å; E505-F528 VanDerWaalsContact CD-CD2 3.48Å; E505-F528 HydrophobicContact CG-CD2 3.7Å; E505-F528 HydrophobicContact CG-CE2 4.3Å; E505-F528 PolarHBondContact OE1-N 3.39Å; E505-F528 PolarHBondContact OE2-N 3.47Å; E505-Q534 CarbonylContact C-O 3.47Å; E505-Q534 WeakPolarHBondContact CA-O 3.38Å
506	V	92.5	Very high	90.5	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.9	-178.9	-175.8	0	0	0	0	110.2	F464 V504 S512 E513 Q534 I536	F464-V506 HydrophobicContact CE1-CG1 4.32Å; F464-V506 HydrophobicContact CE2-CB 4.34Å; F464-V506 HydrophobicContact CE2-CG1 3.97Å; F464-V506 HydrophobicContact CZ-CG1 3.69Å; V504-V506 HydrophobicContact CG2-CG2 4.28Å; V506-S512 WeakPolarHBondContact CA-O 3.48Å; V506-E513 HydrophobicContact CG2-CG 4.29Å; V506-Q534 PolarHBondContact N-O 3.02Å; V506-I536 HydrophobicContact CG2-CD1 3.62Å; V506-I536 HydrophobicContact CG2-CG1 3.7Å
507	N	89.4	Confident	90.6	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.15	27%	0.27	C	S	.	.			trans	-76.6	125.6	174.6	-177.8	-8.5	0	0	0	110.4	K509 D510 G511 S512 F528	N507-K509 VanDerWaalsContact C-N 3.26Å; N507-K509 PolarHBondContact O-N 3.19Å; N507-K509 PolarHBondContact OD1-N 3.42Å; N507-D510 WeakPolarHBondContact CB-OD1 3.48Å; N507-D510 VanDerWaalsContact ND2-CG 3.34Å; N507-D510 PolarHBondContact ND2-OD1 3.29Å; N507-D510 PolarHBondContact ND2-OD2 3.4Å; N507-G511 VanDerWaalsContact O-CA 3.28Å; N507-G511 WeakPolarHBondContact O-CA 3.42Å; N507-G511 PolarHBondContact O-N 2.88Å; N507-S512 VanDerWaalsContact CB-OG 3.27Å; N507-S512 WeakPolarHBondContact CB-OG 3.45Å; N507-S512 PolarHBondContact N-O 2.88Å; N507-F528 HydrophobicContact CB-CD1 3.84Å; N507-F528 HydrophobicContact CB-CD2 3.87Å; N507-F528 HydrophobicContact CB-CE1 3.8Å; N507-F528 HydrophobicContact CB-CE2 3.84Å; N507-F528 HydrophobicContact CB-CG 3.88Å; N507-F528 HydrophobicContact CB-CZ 3.8Å
508	E	80.6	Confident	90.4	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.4	-178	-168	161.5	-177.2	0	0	113.2	R456 Q534	R456-E508 IonicContact CZ-OE2 3.6Å; R456-E508 IonicContact NH2-OE2 3.1Å; R456-E508 PolarHBondContact NH2-OE2 2.93Å; E508-Q534 PolarHBondContact OE2-NE2 3.21Å; E508-Q534 VanDerWaalsContact OE2-NE2 3.1Å
509	K	82.8	Confident	90	Very high	199 Å²	199	62.4 Å²	62.4	87%	0.865	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-43.5	-173.2	-66.4	-178.3	-179.6	175.2	0	113.3	N507	N507-K509 VanDerWaalsContact C-N 3.26Å; N507-K509 PolarHBondContact O-N 3.19Å; N507-K509 PolarHBondContact OD1-N 3.42Å
510	D	84.4	Confident	89.7	Confident	107 Å²	107	54.6 Å²	54.6	57%	0.572	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-8.2	-172.5	62.6	11.4	0	0	0	113.7	N507 S512	N507-D510 WeakPolarHBondContact CB-OD1 3.48Å; N507-D510 VanDerWaalsContact ND2-CG 3.34Å; N507-D510 PolarHBondContact ND2-OD1 3.29Å; N507-D510 PolarHBondContact ND2-OD2 3.4Å; D510-S512 VanDerWaalsContact CG-OG 3.27Å; D510-S512 PolarHBondContact O-N 2.88Å; D510-S512 VanDerWaalsContact OD1-CB 3.25Å; D510-S512 WeakPolarHBondContact OD1-CB 3.38Å; D510-S512 PolarHBondContact OD1-N 2.89Å; D510-S512 PolarHBondContact OD1-OG 3.42Å; D510-S512 PolarHBondContact OD2-OG 2.93Å
511	G	83.2	Confident	89.7	Confident	27 Å²	27	54 Å²	54	28%	0.278	29%	0.288	S	S	.	.			trans	72.9	11	-176.9	0	0	0	0	0	114.5	N507	N507-G511 VanDerWaalsContact O-CA 3.28Å; N507-G511 WeakPolarHBondContact O-CA 3.42Å; N507-G511 PolarHBondContact O-N 2.88Å
512	S	89.4	Confident	89.5	Confident	45 Å²	45	53.8 Å²	53.8	32%	0.315	29%	0.288	S	S	.	.			trans	-62.9	143.9	174.7	57.7	0	0	0	0	111.2	V506 N507 D510	V506-S512 WeakPolarHBondContact CA-O 3.48Å; N507-S512 VanDerWaalsContact CB-OG 3.27Å; N507-S512 WeakPolarHBondContact CB-OG 3.45Å; N507-S512 PolarHBondContact N-O 2.88Å; D510-S512 VanDerWaalsContact CG-OG 3.27Å; D510-S512 PolarHBondContact O-N 2.88Å; D510-S512 VanDerWaalsContact OD1-CB 3.25Å; D510-S512 WeakPolarHBondContact OD1-CB 3.38Å; D510-S512 PolarHBondContact OD1-N 2.89Å; D510-S512 PolarHBondContact OD1-OG 3.42Å; D510-S512 PolarHBondContact OD2-OG 2.93Å
513	E	91.5	Very high	89.2	Confident	83 Å²	83	55.7 Å²	55.7	39%	0.388	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.6	-176.5	-59.5	-170.6	-159	0	0	110.8	W461 V504 E505 V506 R538	W461-E513 WeakPolarHBondContact CZ2-OE1 2.99Å; W461-E513 PolarHBondContact NE1-OE1 3.09Å; V504-E513 HydrophobicContact CB-CB 4.4Å; V504-E513 WeakPolarHBondContact CG2-OE2 2.89Å; E505-E513 CarbonylContact O-C 3.56Å; E505-E513 WeakPolarHBondContact O-CA 3.37Å; V506-E513 HydrophobicContact CG2-CG 4.29Å; E513-R538 IonicContact OE1-CZ 3.76Å; E513-R538 IonicContact OE1-NH2 2.72Å; E513-R538 PolarHBondContact OE1-NH2 2.85Å; E513-R538 IonicContact OE2-CZ 2.75Å; E513-R538 IonicContact OE2-NE 3.01Å; E513-R538 IonicContact OE2-NH2 3.99Å; E513-R538 PolarHBondContact OE2-NH2 3Å
514	H	93.7	Very high	88.8	Confident	32 Å²	32	60.1 Å²	60.1	15%	0.148	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.8	171.9	174.5	62.2	0	0	0	110.7	V504 E505 Q525 Q527 F528	V504-H514 CarbonylContact C-O 3.59Å; V504-H514 VanDerWaalsContact CA-O 3.27Å; V504-H514 WeakPolarHBondContact CA-O 3.41Å; E505-H514 HydrophobicContact CB-CB 4.28Å; E505-H514 PolarHBondContact N-O 2.76Å; E505-H514 PolarHBondContact O-N 3.3Å; H514-Q525 PolarHBondContact CD2-O 3.45Å; H514-Q525 PolarHBondContact NE2-O 3.02Å; H514-Q527 PolarHBondContact CE1-NE2 3Å; H514-Q527 VanDerWaalsContact CG-CD 3.5Å; H514-Q527 VanDerWaalsContact CG-OE1 3.32Å; H514-Q527 PolarHBondContact ND1-NE2 3.4Å; H514-Q527 PolarHBondContact ND1-OE1 3.49Å; H514-F528 HydrophobicContact CB-CE2 3.84Å; H514-F528 HydrophobicContact CB-CZ 3.97Å
515	R	93.2	Very high	88.6	Confident	124 Å²	124	61.4 Å²	61.4	47%	0.468	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.2	-177.9	-179.3	175.7	179.4	173.2	1	112	Y502 V504	Y502-R515 HydrophobicContact CD2-CG 3.88Å; Y502-R515 HydrophobicContact CE2-CG 4.11Å; V504-R515 HydrophobicContact CG1-CB 4.46Å
516	L	93.1	Very high	88.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.3	175.9	-53.9	178.6	0	0	0	111.4	V480 L503 F522 Q525 I535	V480-L516 HydrophobicContact CG1-CB 4.12Å; V480-L516 HydrophobicContact CG2-CB 4.43Å; L503-L516 HydrophobicContact CB-CB 4.29Å; L503-L516 HydrophobicContact CB-CD1 3.99Å; L503-L516 HydrophobicContact CB-CG 4.47Å; L503-L516 PolarHBondContact O-N 3.4Å; L516-F522 HydrophobicContact CD1-CD2 3.91Å; L516-F522 HydrophobicContact CD1-CE2 3.56Å; L516-Q525 HydrophobicContact CD2-CB 3.74Å; L516-I535 HydrophobicContact CD1-CG2 4.27Å
517	H	90.2	Very high	88.2	Confident	113 Å²	113	69.3 Å²	69.3	52%	0.523	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-85.6	133.1	179.7	-61.9	85.2	0	0	0	111	V480 S519 Q525	V480-H517 WeakPolarHBondContact CB-O 3.23Å; V480-H517 VanDerWaalsContact CG2-O 3.27Å; V480-H517 WeakPolarHBondContact CG2-O 3.16Å; H517-S519 VanDerWaalsContact C-N 3.27Å; H517-S519 PolarHBondContact O-N 3.18Å; H517-Q525 PolarHBondContact O-NE2 3.34Å; H517-Q525 PolarHBondContact O-OE1 3.43Å
518	S	84.5	Confident	88	Confident	37 Å²	37	69.7 Å²	69.7	26%	0.259	37%	0.372	S	S	.	.	S	Bend	trans	-62.5	-31.2	-175.2	-58.2	0	0	0	0	114.5	R540	S518-R540 PolarHBondContact OG-NH2 3.11Å
519	S	83.9	Confident	87.6	Confident	105 Å²	105	74.5 Å²	74.5	73%	0.734	39%	0.394	S	S	*	.	S	Bend	trans	-86.5	103.3	173.4	51.5	0	0	0	0	109.2	H517	H517-S519 VanDerWaalsContact C-N 3.27Å; H517-S519 PolarHBondContact O-N 3.18Å
520	G	85.2	Confident	87.1	Confident	35 Å²	35	67.2 Å²	67.2	36%	0.361	37%	0.366	S	S	.	.	S	Bend	trans	147.7	169.7	174	0	0	0	0	0	113.8	S479 V480	S479-G520 WeakPolarHBondContact CA-O 3.11Å; V480-G520 PolarHBondContact N-O 2.77Å
521	C	90.9	Very high	86.5	Confident	42 Å²	42	71.3 Å²	71.3	28%	0.284	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-72.1	134.6	172.7	-176.5	0	0	0	0	109.7	S524	C521-S524 PolarHBondContact O-OG 3.38Å; C521-S524 VanDerWaalsContact O-OG 3.05Å
522	F	91.1	Very high	86.3	Confident	3 Å²	3	73.3 Å²	73.3	1%	0.013	37%	0.373	C	S	.	.	S	Bend	trans	-61.4	-50.7	-179.7	173.1	-96.4	0	0	0	112.1	V455 L474 V478 V480 V483 L503 L516 S524 Q525 L526 I535	V455-F522 HydrophobicContact CG1-CE1 4.43Å; V455-F522 HydrophobicContact CG1-CZ 3.92Å; V455-F522 HydrophobicContact CG2-CE1 3.62Å; V455-F522 HydrophobicContact CG2-CZ 3.97Å; L474-F522 HydrophobicContact CD1-CD1 3.68Å; L474-F522 HydrophobicContact CD1-CE1 3.73Å; L474-F522 HydrophobicContact CD1-CG 4.29Å; L474-F522 HydrophobicContact CD1-CZ 4.33Å; V478-F522 WeakPolarHBondContact O-CB 3.49Å; V478-F522 PolarHBondContact O-N 2.7Å; V480-F522 HydrophobicContact CG2-CB 4.26Å; V480-F522 HydrophobicContact CG2-CD2 4.43Å; V483-F522 HydrophobicContact CB-CD2 4.2Å; V483-F522 HydrophobicContact CG1-CD2 4.12Å; V483-F522 HydrophobicContact CG1-CE2 4.06Å; V483-F522 HydrophobicContact CG2-CB 3.83Å; V483-F522 HydrophobicContact CG2-CD1 4.46Å; V483-F522 HydrophobicContact CG2-CD2 3.79Å; V483-F522 HydrophobicContact CG2-CE2 4.49Å; V483-F522 HydrophobicContact CG2-CG 3.76Å; L503-F522 HydrophobicContact CD1-CE2 4.48Å; L516-F522 HydrophobicContact CD1-CD2 3.91Å; L516-F522 HydrophobicContact CD1-CE2 3.56Å; F522-S524 VanDerWaalsContact C-N 3.27Å; F522-S524 PolarHBondContact O-N 3.18Å; F522-Q525 PolarHBondContact O-N 3.04Å; F522-L526 HydrophobicContact CE1-CD1 3.99Å; F522-L526 HydrophobicContact CE1-CD2 4.08Å; F522-L526 HydrophobicContact CE1-CG 4.38Å; F522-L526 HydrophobicContact CE2-CD2 4.28Å; F522-L526 HydrophobicContact CZ-CD2 3.82Å; F522-I535 HydrophobicContact CE2-CD1 4.16Å; F522-I535 HydrophobicContact CE2-CG2 4.03Å; F522-I535 HydrophobicContact CZ-CD1 4.35Å; F522-I535 HydrophobicContact CZ-CG2 3.99Å
523	K	86.8	Confident	86.3	Confident	77 Å²	77	72 Å²	72	34%	0.335	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-64.6	-28.9	-174.6	-68	-165.7	179	-164	0	113.1	D453 Q525	D453-K523 IonicContact OD1-NZ 3.75Å; D453-K523 PolarHBondContact OD1-NZ 3.27Å; K523-Q525 VanDerWaalsContact C-N 3.29Å; K523-Q525 PolarHBondContact O-N 2.86Å
524	S	88.8	Confident	86.3	Confident	93 Å²	93	68.3 Å²	68.3	65%	0.65	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-79.6	-9.1	-179.8	67.5	0	0	0	0	114.1	C521 F522	C521-S524 PolarHBondContact O-OG 3.38Å; C521-S524 VanDerWaalsContact O-OG 3.05Å; F522-S524 VanDerWaalsContact C-N 3.27Å; F522-S524 PolarHBondContact O-N 3.18Å
525	Q	91.2	Very high	86.4	Confident	30 Å²	30	66.8 Å²	66.8	14%	0.14	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-102.2	-5	179.6	-66.7	-175.8	33	0	0	113.2	H514 L516 H517 F522 K523	H514-Q525 PolarHBondContact CD2-O 3.45Å; H514-Q525 PolarHBondContact NE2-O 3.02Å; L516-Q525 HydrophobicContact CD2-CB 3.74Å; H517-Q525 PolarHBondContact O-NE2 3.34Å; H517-Q525 PolarHBondContact O-OE1 3.43Å; F522-Q525 PolarHBondContact O-N 3.04Å; K523-Q525 VanDerWaalsContact C-N 3.29Å; K523-Q525 PolarHBondContact O-N 2.86Å
526	L	89.5	Confident	86.5	Confident	45 Å²	45	60.9 Å²	60.9	24%	0.236	32%	0.317	C	S	.	.			trans	-70.7	131.3	178.7	-60.3	173.6	0	0	0	109.8	E505 F522 P533	E505-L526 HydrophobicContact CG-CD2 4.09Å; E505-L526 WeakPolarHBondContact OE2-CA 3.46Å; F522-L526 HydrophobicContact CE1-CD1 3.99Å; F522-L526 HydrophobicContact CE1-CD2 4.08Å; F522-L526 HydrophobicContact CE1-CG 4.38Å; F522-L526 HydrophobicContact CE2-CD2 4.28Å; F522-L526 HydrophobicContact CZ-CD2 3.82Å; L526-P533 HydrophobicContact CD1-CB 3.96Å; L526-P533 HydrophobicContact CD1-CG 3.54Å; L526-P533 HydrophobicContact CD2-CB 4.08Å
527	Q	88.2	Confident	86.7	Confident	125 Å²	125	60.8 Å²	60.8	58%	0.584	32%	0.316	S	S	*	.			trans	-107.6	-25.6	-178.9	-68.5	-169.5	-15.6	0	0	112.5	E505 H514	E505-Q527 PolarHBondContact OE2-N 3.17Å; H514-Q527 PolarHBondContact CE1-NE2 3Å; H514-Q527 VanDerWaalsContact CG-CD 3.5Å; H514-Q527 VanDerWaalsContact CG-OE1 3.32Å; H514-Q527 PolarHBondContact ND1-NE2 3.4Å; H514-Q527 PolarHBondContact ND1-OE1 3.49Å
528	F	86.3	Confident	86.8	Confident	37 Å²	37	56.3 Å²	56.3	16%	0.162	30%	0.295	C	S	.	.	S	Bend	trans	-94.4	106.7	-177.2	-52.6	-51.5	0	0	0	109.9	E505 N507 H514 T530	E505-F528 HydrophobicContact CB-CD2 4.17Å; E505-F528 HydrophobicContact CB-CE2 4.28Å; E505-F528 VanDerWaalsContact CD-CD2 3.48Å; E505-F528 HydrophobicContact CG-CD2 3.7Å; E505-F528 HydrophobicContact CG-CE2 4.3Å; E505-F528 PolarHBondContact OE1-N 3.39Å; E505-F528 PolarHBondContact OE2-N 3.47Å; N507-F528 HydrophobicContact CB-CD1 3.84Å; N507-F528 HydrophobicContact CB-CD2 3.87Å; N507-F528 HydrophobicContact CB-CE1 3.8Å; N507-F528 HydrophobicContact CB-CE2 3.84Å; N507-F528 HydrophobicContact CB-CG 3.88Å; N507-F528 HydrophobicContact CB-CZ 3.8Å; H514-F528 HydrophobicContact CB-CE2 3.84Å; H514-F528 HydrophobicContact CB-CZ 3.97Å; F528-T530 HydrophobicContact CB-CG2 4.34Å; F528-T530 PolarHBondContact O-N 2.66Å; F528-T530 PolarHBondContact O-OG1 2.82Å
529	E	71.2	Confident	87.2	Confident	205 Å²	205	55.8 Å²	55.8	96%	0.958	29%	0.291	S	S	*	.			trans	-65.2	82.9	175.3	-73.3	-179.3	178	0	0	111
530	T	71.9	Confident	87.4	Confident	45 Å²	45	54.5 Å²	54.5	28%	0.276	27%	0.27	S	S	.	.			trans	-121	143.3	176.5	61.5	0	0	0	0	108.9	F528 R532	F528-T530 HydrophobicContact CB-CG2 4.34Å; F528-T530 PolarHBondContact O-N 2.66Å; F528-T530 PolarHBondContact O-OG1 2.82Å; T530-R532 PolarHBondContact O-N 3.33Å; T530-R532 PolarHBondContact OG1-O 2.88Å
531	R	72.6	Confident	87.2	Confident	193 Å²	193	58.3 Å²	58.3	73%	0.728	28%	0.282	S	S	*	.	S	Bend	trans	-55.4	-25.7	175.3	-80.1	-169.3	169.5	-150.6	-2.6	113
532	R	80.1	Confident	86.3	Confident	70 Å²	70	63.3 Å²	63.3	26%	0.264	30%	0.295	S	S	.	.	S	Bend	trans	-140.9	100.4	179.2	-67.5	-174.3	-178.7	-173.2	1.1	109.8	R456 T530 Q534	R456-R532 PolarHBondContact NH2-O 2.92Å; T530-R532 PolarHBondContact O-N 3.33Å; T530-R532 PolarHBondContact OG1-O 2.88Å; R532-Q534 PolarHBondContact O-N 3.2Å
533	P	89	Confident	85.2	Confident	17 Å²	17	70.8 Å²	70.8	11%	0.11	34%	0.335	C	S	.	.			trans	-54.1	138.6	177.9	-24.9	33.6	0	0	0	111.2	V455 R456 L526	V455-P533 HydrophobicContact CG1-CB 4.45Å; R456-P533 PolarHBondContact N-O 3.05Å; L526-P533 HydrophobicContact CD1-CB 3.96Å; L526-P533 HydrophobicContact CD1-CG 3.54Å; L526-P533 HydrophobicContact CD2-CB 4.08Å
534	Q	91.9	Very high	84.5	Confident	5 Å²	5	72.2 Å²	72.2	2%	0.023	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.1	179.3	-60.7	-162	74.2	0	0	109.3	R456 Y458 E505 V506 E508 R532	R456-Q534 HydrophobicContact CB-CG 4.21Å; R456-Q534 VanDerWaalsContact NH2-NE2 3.12Å; R456-Q534 CarbonylContact O-C 3.57Å; R456-Q534 WeakPolarHBondContact O-CA 3.26Å; Y458-Q534 HydrophobicContact CE2-CB 4.31Å; Y458-Q534 PolarHBondContact OH-OE1 3.27Å; E505-Q534 CarbonylContact C-O 3.47Å; E505-Q534 WeakPolarHBondContact CA-O 3.38Å; V506-Q534 PolarHBondContact N-O 3.02Å; E508-Q534 PolarHBondContact OE2-NE2 3.21Å; E508-Q534 VanDerWaalsContact OE2-NE2 3.1Å; R532-Q534 PolarHBondContact O-N 3.2Å
535	I	95	Very high	84.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.1	-179.2	62.3	170.5	0	0	0	112	V455 R456 V457 Y458 V483 L503 V504 L516 F522	V455-I535 HydrophobicContact CG1-CD1 3.74Å; V455-I535 HydrophobicContact CG1-CG1 3.69Å; V455-I535 HydrophobicContact CG1-CG2 4.26Å; R456-I535 PolarHBondContact O-N 3.23Å; V457-I535 CarbonylContact C-O 3.46Å; V457-I535 WeakPolarHBondContact CA-O 3.31Å; V457-I535 HydrophobicContact CB-CD1 4.49Å; V457-I535 HydrophobicContact CB-CG1 4.16Å; V457-I535 HydrophobicContact CG1-CD1 4.18Å; V457-I535 HydrophobicContact CG1-CG1 4.04Å; V457-I535 HydrophobicContact CG2-CD1 3.78Å; V457-I535 HydrophobicContact CG2-CG1 3.79Å; Y458-I535 PolarHBondContact N-O 3.34Å; V483-I535 HydrophobicContact CG1-CD1 3.77Å; L503-I535 HydrophobicContact CD1-CD1 3.88Å; L503-I535 HydrophobicContact CD2-CD1 4.17Å; V504-I535 CarbonylContact O-C 3.59Å; V504-I535 WeakPolarHBondContact O-CA 3.31Å; L516-I535 HydrophobicContact CD1-CG2 4.27Å; F522-I535 HydrophobicContact CE2-CD1 4.16Å; F522-I535 HydrophobicContact CE2-CG2 4.03Å; F522-I535 HydrophobicContact CZ-CD1 4.35Å; F522-I535 HydrophobicContact CZ-CG2 3.99Å
536	I	95.9	Very high	84	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.2	174.3	-55.3	-173.4	0	0	0	109.1	Y458 F464 V504 V506	Y458-I536 HydrophobicContact CD2-CG1 4.29Å; Y458-I536 WeakPolarHBondContact O-CA 3.38Å; F464-I536 HydrophobicContact CB-CD1 3.85Å; F464-I536 HydrophobicContact CD2-CD1 4.11Å; F464-I536 HydrophobicContact CG-CD1 3.92Å; V504-I536 HydrophobicContact CG2-CB 3.74Å; V504-I536 PolarHBondContact N-O 3.48Å; V504-I536 PolarHBondContact O-N 2.95Å; V506-I536 HydrophobicContact CG2-CD1 3.62Å; V506-I536 HydrophobicContact CG2-CG1 3.7Å
537	I	95.9	Very high	83.9	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.5	172.4	-48.5	169.2	0	0	0	109.2	V457 Y458 L488 F491 Y501 L503 V632	V457-I537 HydrophobicContact CG1-CD1 4.28Å; V457-I537 HydrophobicContact CG1-CG1 4.14Å; Y458-I537 WeakPolarHBondContact O-CG1 3.5Å; Y458-I537 PolarHBondContact O-N 2.98Å; L488-I537 HydrophobicContact CD2-CG2 4.45Å; F491-I537 HydrophobicContact CD2-CD1 3.73Å; F491-I537 HydrophobicContact CE2-CD1 4.04Å; Y501-I537 HydrophobicContact CD1-CG2 4Å; Y501-I537 HydrophobicContact CG-CG2 4.14Å; L503-I537 HydrophobicContact CD2-CB 4.49Å; L503-I537 HydrophobicContact CD2-CG1 4.06Å; I537-V632 HydrophobicContact CB-CG1 4.43Å; I537-V632 HydrophobicContact CB-CG2 4.11Å; I537-V632 HydrophobicContact CD1-CG2 4.49Å; I537-V632 HydrophobicContact CG2-CG1 4.16Å; I537-V632 HydrophobicContact CG2-CG2 3.95Å; I537-V632 WeakPolarHBondContact O-CG1 3.4Å
538	R	93.8	Very high	84	Confident	19 Å²	19	79.3 Å²	79.3	7%	0.072	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.3	177.5	-62.4	-64.6	-166.8	-166.7	-9.7	110.9	W461 Y501 Y502 V504 E513 R629	W461-R538 VanDerWaalsContact CD1-NH2 3.27Å; Y501-R538 CarbonylContact C-O 3.54Å; Y501-R538 WeakPolarHBondContact CA-O 3.35Å; Y501-R538 WeakPolarHBondContact CB-O 3.49Å; Y502-R538 HydrophobicContact CD1-CB 3.75Å; Y502-R538 HydrophobicContact CD2-CB 3.95Å; Y502-R538 HydrophobicContact CD2-CG 4.31Å; Y502-R538 HydrophobicContact CE1-CB 3.37Å; Y502-R538 HydrophobicContact CE1-CG 4.34Å; Y502-R538 HydrophobicContact CE2-CB 3.57Å; Y502-R538 HydrophobicContact CE2-CG 3.72Å; Y502-R538 HydrophobicContact CG-CB 4.04Å; Y502-R538 PolarHBondContact N-O 3.5Å; Y502-R538 PolarHBondContact O-N 3.12Å; V504-R538 HydrophobicContact CG1-CG 3.95Å; V504-R538 HydrophobicContact CG2-CG 3.97Å; E513-R538 IonicContact OE1-CZ 3.76Å; E513-R538 IonicContact OE1-NH2 2.72Å; E513-R538 PolarHBondContact OE1-NH2 2.85Å; E513-R538 IonicContact OE2-CZ 2.75Å; E513-R538 IonicContact OE2-NE 3.01Å; E513-R538 IonicContact OE2-NH2 3.99Å; E513-R538 PolarHBondContact OE2-NH2 3Å; R538-R629 PolarHBondContact NH1-O 3.03Å
539	S	91.6	Very high	84.2	Confident	25 Å²	25	78 Å²	78	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.6	168	-174.3	0	0	0	0	109.7	Y502	Y502-S539 VanDerWaalsContact CE1-O 3.24Å; Y502-S539 WeakPolarHBondContact CE1-O 3.38Å
540	R	89.2	Confident	85.1	Confident	79 Å²	79	73.8 Å²	73.8	30%	0.298	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72.2	128.1	174.5	-71.5	-178	-174	-109	-9.5	110.6	R499 D500 Y501 Y502 S518 R542	R499-R540 WeakPolarHBondContact O-CD 3.45Å; R499-R540 PolarHBondContact O-NE 3.32Å; R499-R540 VanDerWaalsContact O-NE 3.08Å; D500-R540 WeakPolarHBondContact O-CB 3.33Å; D500-R540 PolarHBondContact O-N 3.48Å; Y501-R540 PolarHBondContact O-NE 3.44Å; Y501-R540 PolarHBondContact O-NH2 2.88Å; Y501-R540 VanDerWaalsContact O-NH2 3.11Å; Y502-R540 HydrophobicContact CD1-CB 4.49Å; Y502-R540 HydrophobicContact CD1-CG 3.72Å; S518-R540 PolarHBondContact OG-NH2 3.11Å; R540-R542 PolarHBondContact O-N 2.87Å
541	D	79.6	Confident	86.1	Confident	114 Å²	114	71.7 Å²	71.7	61%	0.61	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-66	123.7	166.1	-62.2	-42.8	0	0	0	109	N543	D541-N543 PolarHBondContact O-N 3.03Å
542	R	73.4	Confident	86.9	Confident	147 Å²	147	63.4 Å²	63.4	56%	0.555	29%	0.289	S	S	*	.			trans	-79	9.3	-178.4	-70.7	-173.8	170	-160.9	-3.7	113.2	D500 R540 Q544	D500-R542 IonicContact OD1-CZ 3.98Å; D500-R542 IonicContact OD1-NE 3.87Å; D500-R542 IonicContact OD1-NH2 3Å; D500-R542 PolarHBondContact OD1-NH2 2.91Å; D500-R542 IonicContact OD2-NH2 3.68Å; R540-R542 PolarHBondContact O-N 2.87Å; R542-Q544 HydrophobicContact CB-CB 4.43Å; R542-Q544 HydrophobicContact CB-CG 4.22Å; R542-Q544 WeakPolarHBondContact O-CG 3.47Å; R542-Q544 PolarHBondContact O-N 3.35Å; R542-Q544 VanDerWaalsContact O-N 3.13Å
543	N	66.8	Low	87.3	Confident	161 Å²	161	61.5 Å²	61.5	86%	0.861	29%	0.285	S	S	*	.	S	Bend	trans	46.2	37	-169.6	-70.6	-8.2	0	0	0	112.2	D541	D541-N543 PolarHBondContact O-N 3.03Å
544	Q	73.2	Confident	86.8	Confident	107 Å²	107	60.7 Å²	60.7	50%	0.5	28%	0.28	S	S	.	.			trans	-113.6	128.5	176.7	-72.9	172.3	6.8	0	0	107.2	R542 R546	R542-Q544 HydrophobicContact CB-CB 4.43Å; R542-Q544 HydrophobicContact CB-CG 4.22Å; R542-Q544 WeakPolarHBondContact O-CG 3.47Å; R542-Q544 PolarHBondContact O-N 3.35Å; R542-Q544 VanDerWaalsContact O-N 3.13Å; Q544-R546 WeakPolarHBondContact CB-O 3.42Å; Q544-R546 PolarHBondContact O-N 3.1Å
545	D	82.2	Confident	85.9	Confident	123 Å²	123	61.4 Å²	61.4	66%	0.658	29%	0.285	S	S	*	.	S	Bend	trans	-72.1	14.1	171.3	-66.7	-36.3	0	0	0	112.8
546	R	87.2	Confident	85.1	Confident	151 Å²	151	61.5 Å²	61.5	57%	0.57	29%	0.285	S	S	*	.			trans	-140.6	137.2	-176	-74.2	179.4	-154.8	-170.9	6.9	110.4	Q544 V571 T572	Q544-R546 WeakPolarHBondContact CB-O 3.42Å; Q544-R546 PolarHBondContact O-N 3.1Å; R546-V571 CarbonylContact C-O 3.6Å; R546-V571 WeakPolarHBondContact CA-O 3.47Å; R546-T572 HydrophobicContact CG-CG2 3.62Å
547	E	87.7	Confident	83.8	Confident	38 Å²	38	64.1 Å²	64.1	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	172.6	169.2	-72	-168.6	-152.1	0	0	110.3	S570 V571 W621 L624 K628	E547-S570 CarbonylContact O-C 3.56Å; E547-S570 VanDerWaalsContact O-CA 3.3Å; E547-S570 WeakPolarHBondContact O-CA 3.24Å; E547-S570 PolarHBondContact O-OG 3.37Å; E547-V571 PolarHBondContact N-O 3.42Å; E547-V571 PolarHBondContact O-N 3Å; E547-W621 HydrophobicContact CB-CZ3 4.03Å; E547-W621 HydrophobicContact CG-CH2 3.86Å; E547-W621 HydrophobicContact CG-CZ3 3.74Å; E547-L624 HydrophobicContact CB-CD1 4.31Å; E547-K628 WeakPolarHBondContact OE1-CE 3.47Å; E547-K628 IonicContact OE1-NZ 2.77Å; E547-K628 PolarHBondContact OE1-NZ 3Å; E547-K628 WeakPolarHBondContact OE2-CE 3.4Å; E547-K628 IonicContact OE2-NZ 3.18Å; E547-K628 PolarHBondContact OE2-NZ 2.91Å
548	Y	89.3	Confident	82.5	Confident	130 Å²	130	70.2 Å²	70.2	51%	0.51	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.7	177.3	-67.6	-85.6	0	0	0	110.2	Q568 I569	Y548-Q568 VanDerWaalsContact CB-NE2 3.28Å; Y548-Q568 HydrophobicContact CD1-CG 3.84Å; Y548-Q568 HydrophobicContact CG-CG 4.09Å; Y548-I569 CarbonylContact C-O 3.59Å; Y548-I569 VanDerWaalsContact CA-O 3.23Å; Y548-I569 WeakPolarHBondContact CA-O 3.43Å
549	I	91.2	Very high	81.9	Confident	8 Å²	8	72.6 Å²	72.6	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	152.6	172.5	61.8	148.7	0	0	0	110.7	T551 Q568 I569 V571 V580 L620 L624 F640	I549-T551 WeakPolarHBondContact CD1-OG1 3.14Å; I549-Q568 CarbonylContact O-C 3.53Å; I549-Q568 WeakPolarHBondContact O-CA 3.43Å; I549-I569 HydrophobicContact CG1-CB 4.09Å; I549-I569 PolarHBondContact N-O 3.02Å; I549-I569 PolarHBondContact O-N 3.19Å; I549-V571 HydrophobicContact CB-CG2 4.44Å; I549-V571 HydrophobicContact CD1-CG2 4.47Å; I549-V571 HydrophobicContact CG1-CG2 3.78Å; I549-V571 HydrophobicContact CG2-CG2 3.96Å; I549-V580 HydrophobicContact CD1-CG1 4.11Å; I549-L620 HydrophobicContact CD1-CD2 3.39Å; I549-L620 HydrophobicContact CG1-CD2 3.97Å; I549-L620 HydrophobicContact CG2-CD2 4.11Å; I549-L624 HydrophobicContact CG2-CD1 3.79Å; I549-L624 HydrophobicContact CG2-CD2 3.89Å; I549-L624 HydrophobicContact CG2-CG 4.37Å; I549-F640 HydrophobicContact CB-CD2 3.91Å; I549-F640 HydrophobicContact CB-CE2 4.09Å; I549-F640 HydrophobicContact CD1-CB 4.07Å; I549-F640 HydrophobicContact CD1-CD2 3.62Å; I549-F640 HydrophobicContact CD1-CE2 4.28Å; I549-F640 HydrophobicContact CD1-CG 3.87Å; I549-F640 HydrophobicContact CG1-CD2 4.4Å; I549-F640 HydrophobicContact CG2-CD2 4.17Å; I549-F640 HydrophobicContact CG2-CE2 3.83Å
550	Q	90	Very high	81.2	Confident	118 Å²	118	72.9 Å²	72.9	55%	0.551	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	124	165.5	-71.4	-171.7	-29.3	0	0	109.1	F552 I567	Q550-F552 HydrophobicContact CB-CD2 4.45Å; Q550-F552 HydrophobicContact CB-CE2 3.74Å; Q550-F552 HydrophobicContact CB-CZ 4.25Å; Q550-I567 WeakPolarHBondContact CA-O 3.34Å
551	T	92.6	Very high	80.4	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.9	173.3	-53.3	0	0	0	0	108.9	I549 P566 I567 I569 A584 F588 L600 F640 L642	I549-T551 WeakPolarHBondContact CD1-OG1 3.14Å; T551-P566 CarbonylContact O-C 3.57Å; T551-P566 WeakPolarHBondContact O-CA 3.35Å; T551-I567 PolarHBondContact N-O 3.47Å; T551-I567 PolarHBondContact O-N 2.78Å; T551-I569 HydrophobicContact CG2-CD1 4.29Å; T551-I569 WeakPolarHBondContact OG1-CD1 3.49Å; T551-A584 HydrophobicContact CG2-CB 4.07Å; T551-F588 HydrophobicContact CG2-CE2 4.35Å; T551-L600 HydrophobicContact CG2-CD1 4.2Å; T551-F640 CarbonylContact C-O 3.54Å; T551-F640 VanDerWaalsContact CA-O 3.26Å; T551-F640 WeakPolarHBondContact CA-O 3.34Å; T551-L642 HydrophobicContact CG2-CB 4.16Å
552	F	90.1	Very high	80.3	Confident	20 Å²	20	76.8 Å²	76.8	9%	0.088	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.9	-176	-66.7	-102.9	0	0	0	110.1	Q550 G554 P566 R639 F640 Y641 L642	Q550-F552 HydrophobicContact CB-CD2 4.45Å; Q550-F552 HydrophobicContact CB-CE2 3.74Å; Q550-F552 HydrophobicContact CB-CZ 4.25Å; F552-G554 PolarHBondContact O-N 3.18Å; F552-P566 HydrophobicContact CD1-CB 3.8Å; F552-P566 HydrophobicContact CD1-CG 3.34Å; F552-P566 HydrophobicContact CE1-CB 3.91Å; F552-P566 HydrophobicContact CE1-CG 3.48Å; F552-P566 VanDerWaalsContact CE1-CG 3.48Å; F552-P566 HydrophobicContact CG-CB 4.13Å; F552-P566 HydrophobicContact CG-CG 4.12Å; F552-P566 HydrophobicContact CZ-CB 4.35Å; F552-P566 HydrophobicContact CZ-CG 4.35Å; F552-R639 HydrophobicContact CD2-CB 4Å; F552-R639 HydrophobicContact CD2-CG 4.34Å; F552-R639 HydrophobicContact CE2-CB 3.86Å; F552-R639 HydrophobicContact CE2-CG 3.74Å; F552-R639 HydrophobicContact CZ-CG 4.2Å; F552-F640 PolarHBondContact N-O 3.1Å; F552-Y641 HydrophobicContact CB-CD1 3.31Å; F552-Y641 HydrophobicContact CB-CD2 4.49Å; F552-Y641 HydrophobicContact CB-CE1 3.32Å; F552-Y641 HydrophobicContact CB-CE2 4.49Å; F552-Y641 HydrophobicContact CB-CG 3.95Å; F552-Y641 HydrophobicContact CD1-CE1 4.31Å; F552-Y641 HydrophobicContact CG-CD1 4.3Å; F552-Y641 AromaticContact CG-CE1 3.91Å; F552-Y641 HydrophobicContact CG-CE1 3.91Å; F552-Y641 WeakPolarHBondContact O-CA 3.46Å; F552-L642 PolarHBondContact O-N 3.26Å
553	P	87.3	Confident	80.1	Confident	29 Å²	29	74.9 Å²	74.9	19%	0.188	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116	172	30.7	-32.9	0	0	0	109.5	L556 L564 F588	P553-L556 HydrophobicContact CB-CB 4.4Å; P553-L556 HydrophobicContact CB-CD1 3.73Å; P553-L556 HydrophobicContact CB-CG 4.23Å; P553-L564 HydrophobicContact CB-CB 3.68Å; P553-L564 HydrophobicContact CB-CD1 3.87Å; P553-L564 HydrophobicContact CB-CG 4.45Å; P553-L564 HydrophobicContact CG-CB 3.63Å; P553-L564 WeakPolarHBondContact CG-O 3.45Å; P553-F588 HydrophobicContact CB-CE1 3.94Å; P553-F588 HydrophobicContact CB-CZ 3.98Å; P553-F588 HydrophobicContact CG-CE1 4.23Å; P553-F588 HydrophobicContact CG-CZ 4.42Å
554	G	78.6	Confident	80.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.334	C	S	.	.			trans	-101.7	105.6	175.3	0	0	0	0	0	111	F552 L556 L642 P644	F552-G554 PolarHBondContact O-N 3.18Å; G554-L556 PolarHBondContact O-N 3.14Å; G554-L642 WeakPolarHBondContact CA-O 3.37Å; G554-L642 PolarHBondContact N-O 3.34Å; G554-P644 VanDerWaalsContact O-CD 3.27Å; G554-P644 WeakPolarHBondContact O-CD 3.44Å
555	T	72.7	Confident	81.5	Confident	20 Å²	20	67.8 Å²	67.8	12%	0.123	34%	0.339	C	S	.	.	S	Bend	trans	51.1	37.1	-179.2	52.6	0	0	0	0	115.4	T161 D557	T161-T555 HydrophobicContact CG2-CG2 4.05Å; T161-T555 WeakPolarHBondContact O-CG2 3.48Å; T161-T555 PolarHBondContact O-OG1 2.97Å; T161-T555 VanDerWaalsContact O-OG1 3.11Å; T555-D557 PolarHBondContact O-N 3.16Å
556	L	78.7	Confident	81.7	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-80.6	-2.5	178.4	-62.7	178.9	0	0	0	113	P553 G554 Q558 F559 T560 L564 F588 L590 F598 L642	P553-L556 HydrophobicContact CB-CB 4.4Å; P553-L556 HydrophobicContact CB-CD1 3.73Å; P553-L556 HydrophobicContact CB-CG 4.23Å; G554-L556 PolarHBondContact O-N 3.14Å; L556-Q558 PolarHBondContact O-N 2.96Å; L556-Q558 VanDerWaalsContact O-N 3.14Å; L556-F559 HydrophobicContact CD2-CD2 4.32Å; L556-F559 HydrophobicContact CD2-CE2 4.49Å; L556-F559 PolarHBondContact O-N 3.42Å; L556-T560 WeakPolarHBondContact O-CG2 3.24Å; L556-L564 HydrophobicContact CB-CD1 3.75Å; L556-L564 HydrophobicContact CD1-CD1 3.89Å; L556-L564 HydrophobicContact CG-CD1 4.48Å; L556-F588 HydrophobicContact CD1-CD2 3.83Å; L556-F588 HydrophobicContact CD1-CE2 4.11Å; L556-F588 HydrophobicContact CD1-CG 4.14Å; L556-L590 HydrophobicContact CB-CD1 4.44Å; L556-L590 HydrophobicContact CD1-CD1 3.92Å; L556-L590 HydrophobicContact CD2-CD1 3.88Å; L556-L590 HydrophobicContact CG-CD1 4.3Å; L556-F598 HydrophobicContact CD2-CD1 4.11Å; L556-F598 HydrophobicContact CD2-CE1 3.7Å; L556-L642 HydrophobicContact CD1-CD2 4.11Å
557	D	68.6	Low	82	Confident	56 Å²	56	58.8 Å²	58.8	30%	0.299	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-64.5	-21.6	-174.2	-36	-83.1	0	0	0	113.3	S164 T555 F559 T560	S164-D557 WeakPolarHBondContact CA-OD2 3.37Å; S164-D557 WeakPolarHBondContact CB-OD1 3.27Å; S164-D557 WeakPolarHBondContact CB-OD2 3.49Å; T555-D557 PolarHBondContact O-N 3.16Å; D557-F559 PolarHBondContact O-N 2.95Å; D557-T560 CarbonylContact C-O 3.57Å; D557-T560 PolarHBondContact O-N 3.38Å
558	Q	69.7	Low	82.2	Confident	127 Å²	127	60.8 Å²	60.8	59%	0.593	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.6	-15.3	173.2	68	-176.1	13.9	0	0	113.1	L556	L556-Q558 PolarHBondContact O-N 2.96Å; L556-Q558 VanDerWaalsContact O-N 3.14Å
559	F	80	Confident	82.5	Confident	70 Å²	70	54.6 Å²	54.6	31%	0.307	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-109.2	-6	178.3	-51.4	-71.7	0	0	0	113.2	L556 D557 L590 L593 F598 P644	L556-F559 HydrophobicContact CD2-CD2 4.32Å; L556-F559 HydrophobicContact CD2-CE2 4.49Å; L556-F559 PolarHBondContact O-N 3.42Å; D557-F559 PolarHBondContact O-N 2.95Å; F559-L590 HydrophobicContact CB-CD2 3.62Å; F559-L590 HydrophobicContact CG-CD2 4.43Å; F559-L593 HydrophobicContact CB-CD1 4.21Å; F559-L593 HydrophobicContact CD1-CD1 3.5Å; F559-L593 VanDerWaalsContact CD1-CD1 3.5Å; F559-L593 HydrophobicContact CD2-CD1 4.47Å; F559-L593 HydrophobicContact CE1-CD1 3.88Å; F559-L593 HydrophobicContact CG-CD1 3.82Å; F559-L593 HydrophobicContact CZ-CD1 4.5Å; F559-F598 HydrophobicContact CD2-CE1 4.36Å; F559-F598 HydrophobicContact CD2-CZ 4.48Å; F559-F598 AromaticContact CE2-CE1 3.89Å; F559-F598 HydrophobicContact CE2-CE1 3.89Å; F559-F598 HydrophobicContact CE2-CZ 4.09Å; F559-F598 HydrophobicContact CZ-CE1 4.42Å; F559-F598 HydrophobicContact CZ-CZ 4.28Å; F559-P644 HydrophobicContact CE2-CB 3.74Å; F559-P644 HydrophobicContact CE2-CG 3.97Å; F559-P644 HydrophobicContact CZ-CB 3.99Å
560	T	77.1	Confident	82.6	Confident	30 Å²	30	55.3 Å²	55.3	18%	0.184	30%	0.296	C	S	.	.			trans	-151.1	135.6	-177.1	171.8	0	0	0	0	112	L556 D557 V562 L564	L556-T560 WeakPolarHBondContact O-CG2 3.24Å; D557-T560 CarbonylContact C-O 3.57Å; D557-T560 PolarHBondContact O-N 3.38Å; T560-V562 VanDerWaalsContact C-N 3.25Å; T560-V562 PolarHBondContact O-N 3.35Å; T560-V562 PolarHBondContact OG1-N 3.49Å; T560-V562 PolarHBondContact OG1-O 3.01Å; T560-L564 HydrophobicContact CG2-CD1 3.73Å; T560-L564 HydrophobicContact CG2-CD2 4.19Å; T560-L564 HydrophobicContact CG2-CG 3.81Å
561	D	73.6	Confident	82.7	Confident	173 Å²	173	49.7 Å²	49.7	93%	0.925	27%	0.27	S	S	*	.	S	Bend	trans	-80.9	-5.2	172.9	-65.7	-41.1	0	0	0	113.2
562	V	75.8	Confident	82.7	Confident	102 Å²	102	51.7 Å²	51.7	62%	0.618	28%	0.282	S	S	*	.	S	Bend	trans	-100.9	134	-177.1	-175.2	0	0	0	0	110.6	T560 L564	T560-V562 VanDerWaalsContact C-N 3.25Å; T560-V562 PolarHBondContact O-N 3.35Å; T560-V562 PolarHBondContact OG1-N 3.49Å; T560-V562 PolarHBondContact OG1-O 3.01Å; V562-L564 PolarHBondContact O-N 3.07Å; V562-L564 VanDerWaalsContact O-N 3.14Å
563	E	70.6	Confident	82.8	Confident	107 Å²	107	57.6 Å²	57.6	50%	0.5	30%	0.304	S	S	.	.			trans	-61.8	114.9	172.8	-173.9	179.7	172.2	0	0	109.7	K102	K102-E563 IonicContact NZ-OE1 3.86Å; K102-E563 PolarHBondContact NZ-OE1 2.92Å
564	L	83.5	Confident	83.1	Confident	32 Å²	32	61.3 Å²	61.3	17%	0.168	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-81.4	136.1	178.2	-63.7	179.5	0	0	0	110.4	P553 L556 T560 V562 F588	P553-L564 HydrophobicContact CB-CB 3.68Å; P553-L564 HydrophobicContact CB-CD1 3.87Å; P553-L564 HydrophobicContact CB-CG 4.45Å; P553-L564 HydrophobicContact CG-CB 3.63Å; P553-L564 WeakPolarHBondContact CG-O 3.45Å; L556-L564 HydrophobicContact CB-CD1 3.75Å; L556-L564 HydrophobicContact CD1-CD1 3.89Å; L556-L564 HydrophobicContact CG-CD1 4.48Å; T560-L564 HydrophobicContact CG2-CD1 3.73Å; T560-L564 HydrophobicContact CG2-CD2 4.19Å; T560-L564 HydrophobicContact CG2-CG 3.81Å; V562-L564 PolarHBondContact O-N 3.07Å; V562-L564 VanDerWaalsContact O-N 3.14Å; L564-F588 HydrophobicContact CB-CD1 4.15Å; L564-F588 HydrophobicContact CB-CE1 4.25Å; L564-F588 HydrophobicContact CD1-CB 4.16Å; L564-F588 HydrophobicContact CD1-CD1 3.79Å; L564-F588 HydrophobicContact CD1-CE1 4.43Å; L564-F588 HydrophobicContact CD1-CG 4.14Å; L564-F588 HydrophobicContact CD2-CD1 4.19Å; L564-F588 HydrophobicContact CG-CD1 4.28Å
565	S	84.3	Confident	83.9	Confident	87 Å²	87	61.8 Å²	61.8	61%	0.608	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-99.5	151.6	172.4	64.5	0	0	0	0	110.8	I567 F588	S565-I567 PolarHBondContact O-N 3.41Å; S565-F588 WeakPolarHBondContact O-CE1 3.46Å
566	P	87.8	Confident	85	Confident	62 Å²	62	62.4 Å²	62.4	40%	0.403	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-58.3	135.1	177.3	-22.9	34.1	0	0	0	111.7	T551 F552	T551-P566 CarbonylContact O-C 3.57Å; T551-P566 WeakPolarHBondContact O-CA 3.35Å; F552-P566 HydrophobicContact CD1-CB 3.8Å; F552-P566 HydrophobicContact CD1-CG 3.34Å; F552-P566 HydrophobicContact CE1-CB 3.91Å; F552-P566 HydrophobicContact CE1-CG 3.48Å; F552-P566 VanDerWaalsContact CE1-CG 3.48Å; F552-P566 HydrophobicContact CG-CB 4.13Å; F552-P566 HydrophobicContact CG-CG 4.12Å; F552-P566 HydrophobicContact CZ-CB 4.35Å; F552-P566 HydrophobicContact CZ-CG 4.35Å
567	I	92.5	Very high	85.8	Confident	23 Å²	23	62.3 Å²	62.3	12%	0.118	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.5	-178.6	58.5	174.9	0	0	0	110.6	Q550 T551 S565 I569 A584 R587 F588	Q550-I567 WeakPolarHBondContact CA-O 3.34Å; T551-I567 PolarHBondContact N-O 3.47Å; T551-I567 PolarHBondContact O-N 2.78Å; S565-I567 PolarHBondContact O-N 3.41Å; I567-I569 HydrophobicContact CD1-CD1 4.01Å; I567-I569 HydrophobicContact CD1-CG1 4.22Å; I567-I569 HydrophobicContact CG1-CD1 4.45Å; I567-I569 HydrophobicContact CG1-CG1 4.34Å; I567-A584 HydrophobicContact CD1-CB 3.95Å; I567-R587 HydrophobicContact CB-CB 4.44Å; I567-R587 HydrophobicContact CD1-CB 3.62Å; I567-R587 HydrophobicContact CG2-CB 4.15Å; I567-F588 HydrophobicContact CB-CE1 4.49Å; I567-F588 HydrophobicContact CD1-CD1 4.39Å; I567-F588 HydrophobicContact CD1-CD2 3.87Å; I567-F588 HydrophobicContact CD1-CE1 4.13Å; I567-F588 HydrophobicContact CD1-CE2 3.57Å; I567-F588 HydrophobicContact CD1-CG 4.28Å; I567-F588 HydrophobicContact CD1-CZ 3.72Å; I567-F588 HydrophobicContact CG1-CE1 4.05Å; I567-F588 HydrophobicContact CG1-CE2 3.99Å; I567-F588 HydrophobicContact CG1-CZ 3.64Å; I567-F588 HydrophobicContact CG2-CD1 4.14Å; I567-F588 HydrophobicContact CG2-CE1 3.79Å; I567-F588 HydrophobicContact CG2-CZ 4.29Å
568	Q	93	Very high	87.1	Confident	80 Å²	80	63.3 Å²	63.3	37%	0.374	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.9	177.4	-170.5	-178.4	-44.1	0	0	110.5	Y548 I549 R587	Y548-Q568 VanDerWaalsContact CB-NE2 3.28Å; Y548-Q568 HydrophobicContact CD1-CG 3.84Å; Y548-Q568 HydrophobicContact CG-CG 4.09Å; I549-Q568 CarbonylContact O-C 3.53Å; I549-Q568 WeakPolarHBondContact O-CA 3.43Å; Q568-R587 PolarHBondContact O-NH1 3.24Å
569	I	94.1	Very high	88.4	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.1	-178.7	-65.8	-176.4	0	0	0	109.8	Y548 I549 T551 I567 V580 Q583 A584	Y548-I569 CarbonylContact C-O 3.59Å; Y548-I569 VanDerWaalsContact CA-O 3.23Å; Y548-I569 WeakPolarHBondContact CA-O 3.43Å; I549-I569 HydrophobicContact CG1-CB 4.09Å; I549-I569 PolarHBondContact N-O 3.02Å; I549-I569 PolarHBondContact O-N 3.19Å; T551-I569 HydrophobicContact CG2-CD1 4.29Å; T551-I569 WeakPolarHBondContact OG1-CD1 3.49Å; I567-I569 HydrophobicContact CD1-CD1 4.01Å; I567-I569 HydrophobicContact CD1-CG1 4.22Å; I567-I569 HydrophobicContact CG1-CD1 4.45Å; I567-I569 HydrophobicContact CG1-CG1 4.34Å; I569-V580 HydrophobicContact CD1-CG1 3.9Å; I569-V580 HydrophobicContact CG2-CG1 4.35Å; I569-V580 HydrophobicContact CG2-CG2 4.38Å; I569-Q583 HydrophobicContact CD1-CB 4.26Å; I569-Q583 HydrophobicContact CG2-CB 4.33Å; I569-A584 HydrophobicContact CD1-CB 3.6Å
570	S	93.3	Very high	89.1	Confident	24 Å²	24	56.7 Å²	56.7	17%	0.168	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.1	176.3	-168.8	0	0	0	0	110.3	E547	E547-S570 CarbonylContact O-C 3.56Å; E547-S570 VanDerWaalsContact O-CA 3.3Å; E547-S570 WeakPolarHBondContact O-CA 3.24Å; E547-S570 PolarHBondContact O-OG 3.37Å
571	V	93	Very high	90	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128	-176.4	-173.6	0	0	0	0	108.6	R546 E547 I549 T575 L620 W621 L624	R546-V571 CarbonylContact C-O 3.6Å; R546-V571 WeakPolarHBondContact CA-O 3.47Å; E547-V571 PolarHBondContact N-O 3.42Å; E547-V571 PolarHBondContact O-N 3Å; I549-V571 HydrophobicContact CB-CG2 4.44Å; I549-V571 HydrophobicContact CD1-CG2 4.47Å; I549-V571 HydrophobicContact CG1-CG2 3.78Å; I549-V571 HydrophobicContact CG2-CG2 3.96Å; V571-T575 HydrophobicContact CG1-CG2 4.2Å; V571-L620 HydrophobicContact CB-CD2 4.39Å; V571-L620 HydrophobicContact CG1-CB 3.92Å; V571-L620 HydrophobicContact CG1-CD2 3.95Å; V571-L620 HydrophobicContact CG1-CG 4.09Å; V571-L620 HydrophobicContact CG2-CD2 3.48Å; V571-L620 VanDerWaalsContact CG2-CD2 3.48Å; V571-L620 HydrophobicContact CG2-CG 4.41Å; V571-W621 HydrophobicContact CG1-CE3 4.35Å; V571-W621 WeakPolarHBondContact O-CZ3 3.48Å; V571-L624 HydrophobicContact CB-CD1 4.45Å; V571-L624 HydrophobicContact CG1-CD1 4.28Å
572	T	93.3	Very high	91.1	Very high	42 Å²	42	51 Å²	51	26%	0.258	27%	0.271	S	S	.	.			trans	-109.8	175.2	169.8	62.9	0	0	0	0	109.9	R546 D574 T575 W621	R546-T572 HydrophobicContact CG-CG2 3.62Å; T572-D574 PolarHBondContact O-N 3.37Å; T572-D574 VanDerWaalsContact O-N 3.12Å; T572-D574 PolarHBondContact OG1-N 2.72Å; T572-T575 PolarHBondContact N-OG1 3.13Å; T572-T575 WeakPolarHBondContact O-CB 3.34Å; T572-T575 PolarHBondContact O-N 2.72Å; T572-T575 VanDerWaalsContact O-N 3.11Å; T572-T575 PolarHBondContact OG1-N 3.29Å; T572-T575 PolarHBondContact OG1-OG1 3.42Å; T572-W621 VanDerWaalsContact C-CE3 3.44Å
573	R	91.6	Very high	92	Very high	144 Å²	144	49.3 Å²	49.3	54%	0.543	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.6	174.6	-67.8	-176.6	178.3	-175.8	1.9	114.9	R619 W621	R573-R619 PolarHBondContact O-NH1 3.14Å; R573-R619 VanDerWaalsContact O-NH1 3.14Å; R573-W621 HydrophobicContact CB-CG 4.37Å; R573-W621 HydrophobicContact CG-CD2 3.8Å; R573-W621 HydrophobicContact CG-CE3 4.48Å; R573-W621 HydrophobicContact CG-CG 3.94Å; R573-W621 HydrophobicContact CG-CZ2 4.19Å
574	D	92.9	Very high	93.1	Very high	106 Å²	106	44.2 Å²	44.2	57%	0.567	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-7	-179.5	-59.7	-49	0	0	0	113.1	T572 T576 R619	T572-D574 PolarHBondContact O-N 3.37Å; T572-D574 VanDerWaalsContact O-N 3.12Å; T572-D574 PolarHBondContact OG1-N 2.72Å; D574-T576 PolarHBondContact O-N 2.83Å; D574-R619 IonicContact OD1-CZ 3.4Å; D574-R619 IonicContact OD1-NH1 2.76Å; D574-R619 PolarHBondContact OD1-NH1 2.95Å
575	T	95.5	Very high	93.6	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	23%	0.226	C	C	.	.			trans	-68.1	115.1	179.2	-57.5	0	0	0	0	110.4	V571 T572 D579 V580 L620	V571-T575 HydrophobicContact CG1-CG2 4.2Å; T572-T575 PolarHBondContact N-OG1 3.13Å; T572-T575 WeakPolarHBondContact O-CB 3.34Å; T572-T575 PolarHBondContact O-N 2.72Å; T572-T575 VanDerWaalsContact O-N 3.11Å; T572-T575 PolarHBondContact OG1-N 3.29Å; T572-T575 PolarHBondContact OG1-OG1 3.42Å; T575-D579 HydrophobicContact CG2-CB 4.03Å; T575-V580 HydrophobicContact CG2-CG2 3.74Å; T575-L620 PolarHBondContact O-N 3.17Å
576	T	96.4	Very high	94.1	Very high	32 Å²	32	45.6 Å²	45.6	20%	0.196	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-86.4	166.5	174.3	65.8	0	0	0	0	111.4	D574 H578 D579 V580 E618	D574-T576 PolarHBondContact O-N 2.83Å; T576-H578 PolarHBondContact O-N 3.49Å; T576-D579 WeakPolarHBondContact CB-OD2 3.46Å; T576-D579 PolarHBondContact N-OD2 2.72Å; T576-D579 PolarHBondContact O-N 2.84Å; T576-D579 PolarHBondContact OG1-N 3.37Å; T576-D579 PolarHBondContact OG1-OD2 3.34Å; T576-V580 WeakPolarHBondContact O-CG2 3.48Å; T576-V580 PolarHBondContact O-N 2.91Å; T576-E618 CarbonylContact C-O 3.59Å; T576-E618 WeakPolarHBondContact CA-O 3.37Å
577	V	95.4	Very high	94.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-39.2	170.9	168.4	0	0	0	0	111.4	D579 V580 I581 L600 M614 S615 E618	V577-D579 VanDerWaalsContact C-N 3.34Å; V577-D579 PolarHBondContact O-N 2.97Å; V577-V580 WeakPolarHBondContact O-CB 3.47Å; V577-V580 PolarHBondContact O-N 3.36Å; V577-I581 HydrophobicContact CG1-CD1 3.87Å; V577-I581 HydrophobicContact CG1-CG1 4.39Å; V577-I581 WeakPolarHBondContact O-CG1 3.49Å; V577-I581 PolarHBondContact O-N 3.27Å; V577-L600 HydrophobicContact CG1-CB 3.65Å; V577-L600 HydrophobicContact CG1-CD2 4.08Å; V577-L600 HydrophobicContact CG2-CD2 4.35Å; V577-M614 HydrophobicContact CG1-CB 4.2Å; V577-M614 HydrophobicContact CG2-CB 3.83Å; V577-M614 HydrophobicContact CG2-CE 3.66Å; V577-M614 HydrophobicContact CG2-SD 4.3Å; V577-S615 WeakPolarHBondContact CB-O 3.45Å; V577-S615 WeakPolarHBondContact CG2-O 3.49Å; V577-E618 HydrophobicContact CG2-CB 4.05Å; V577-E618 WeakPolarHBondContact CG2-O 3.5Å; V577-E618 PolarHBondContact N-O 3.16Å
578	H	96.1	Very high	94.3	Very high	77 Å²	77	49 Å²	49	36%	0.356	23%	0.23	S	C	.	.	H	α-helix	trans	-58.8	-44.2	175.7	-175.3	68.1	0	0	0	112.2	T576 V580 I581 L582 S616	T576-H578 PolarHBondContact O-N 3.49Å; H578-V580 VanDerWaalsContact C-N 3.29Å; H578-V580 PolarHBondContact O-N 3.32Å; H578-I581 PolarHBondContact O-N 3.04Å; H578-L582 WeakPolarHBondContact O-CG 3.27Å; H578-L582 PolarHBondContact O-N 2.96Å; H578-S616 PolarHBondContact N-O 2.95Å; H578-S616 VanDerWaalsContact N-O 3.1Å
579	D	96.1	Very high	94.2	Very high	58 Å²	58	47.3 Å²	47.3	31%	0.31	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-39	176.6	-58.6	-48.9	0	0	0	112	T575 T576 V577 L582 Q583	T575-D579 HydrophobicContact CG2-CB 4.03Å; T576-D579 WeakPolarHBondContact CB-OD2 3.46Å; T576-D579 PolarHBondContact N-OD2 2.72Å; T576-D579 PolarHBondContact O-N 2.84Å; T576-D579 PolarHBondContact OG1-N 3.37Å; T576-D579 PolarHBondContact OG1-OD2 3.34Å; V577-D579 VanDerWaalsContact C-N 3.34Å; V577-D579 PolarHBondContact O-N 2.97Å; D579-L582 PolarHBondContact O-N 2.94Å; D579-Q583 WeakPolarHBondContact O-CB 3.31Å; D579-Q583 WeakPolarHBondContact O-CG 3.5Å; D579-Q583 PolarHBondContact O-N 2.87Å
580	V	96	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-43.4	176.4	175.7	0	0	0	0	110.7	I549 I569 T575 T576 V577 H578 Q583 A584 L600 L620	I549-V580 HydrophobicContact CD1-CG1 4.11Å; I569-V580 HydrophobicContact CD1-CG1 3.9Å; I569-V580 HydrophobicContact CG2-CG1 4.35Å; I569-V580 HydrophobicContact CG2-CG2 4.38Å; T575-V580 HydrophobicContact CG2-CG2 3.74Å; T576-V580 WeakPolarHBondContact O-CG2 3.48Å; T576-V580 PolarHBondContact O-N 2.91Å; V577-V580 WeakPolarHBondContact O-CB 3.47Å; V577-V580 PolarHBondContact O-N 3.36Å; H578-V580 VanDerWaalsContact C-N 3.29Å; H578-V580 PolarHBondContact O-N 3.32Å; V580-Q583 PolarHBondContact O-N 3.43Å; V580-A584 WeakPolarHBondContact O-CB 2.98Å; V580-A584 PolarHBondContact O-N 2.94Å; V580-L600 HydrophobicContact CB-CD2 4.2Å; V580-L600 HydrophobicContact CG1-CD1 4.11Å; V580-L600 HydrophobicContact CG1-CD2 3.76Å; V580-L620 HydrophobicContact CG2-CD2 3.75Å
581	I	95.1	Very high	93.8	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-50	176.7	-71.4	166.2	0	0	0	110.1	V577 H578 Q583 A584 Q585 F598 L600 L642	V577-I581 HydrophobicContact CG1-CD1 3.87Å; V577-I581 HydrophobicContact CG1-CG1 4.39Å; V577-I581 WeakPolarHBondContact O-CG1 3.49Å; V577-I581 PolarHBondContact O-N 3.27Å; H578-I581 PolarHBondContact O-N 3.04Å; I581-Q583 PolarHBondContact O-N 3.06Å; I581-A584 PolarHBondContact O-N 3.32Å; I581-A584 VanDerWaalsContact O-N 3.17Å; I581-Q585 HydrophobicContact CG2-CG 4.33Å; I581-Q585 WeakPolarHBondContact O-CB 3.41Å; I581-Q585 WeakPolarHBondContact O-CG 3.37Å; I581-Q585 PolarHBondContact O-N 3.42Å; I581-F598 HydrophobicContact CG2-CB 4.02Å; I581-L600 HydrophobicContact CD1-CB 4.46Å; I581-L600 HydrophobicContact CG1-CB 4.28Å; I581-L642 HydrophobicContact CB-CD1 4.27Å; I581-L642 HydrophobicContact CG1-CD1 3.96Å; I581-L642 HydrophobicContact CG2-CD1 4.07Å
582	L	96.1	Very high	93.6	Very high	75 Å²	75	59.3 Å²	59.3	39%	0.393	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-46	179.1	-68.9	175.1	0	0	0	112.3	H578 D579 A584 K586	H578-L582 WeakPolarHBondContact O-CG 3.27Å; H578-L582 PolarHBondContact O-N 2.96Å; D579-L582 PolarHBondContact O-N 2.94Å; L582-A584 VanDerWaalsContact C-N 3.31Å; L582-A584 PolarHBondContact O-N 3.29Å; L582-K586 WeakPolarHBondContact O-CB 3.47Å; L582-K586 PolarHBondContact O-N 3.31Å; L582-K586 VanDerWaalsContact O-N 3.09Å
583	Q	95.2	Very high	93.4	Very high	67 Å²	67	58.7 Å²	58.7	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-37	176.7	-72.8	-175.3	43.9	0	0	112.2	I569 D579 V580 I581 R587	I569-Q583 HydrophobicContact CD1-CB 4.26Å; I569-Q583 HydrophobicContact CG2-CB 4.33Å; D579-Q583 WeakPolarHBondContact O-CB 3.31Å; D579-Q583 WeakPolarHBondContact O-CG 3.5Å; D579-Q583 PolarHBondContact O-N 2.87Å; V580-Q583 PolarHBondContact O-N 3.43Å; I581-Q583 PolarHBondContact O-N 3.06Å; Q583-R587 WeakPolarHBondContact O-CG 3.24Å; Q583-R587 PolarHBondContact O-N 3.34Å; Q583-R587 VanDerWaalsContact O-N 3.17Å
584	A	94.4	Very high	93.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-48.7	178.6	0	0	0	0	0	111.2	T551 I567 I569 V580 I581 L582 K586 R587 F588 L642	T551-A584 HydrophobicContact CG2-CB 4.07Å; I567-A584 HydrophobicContact CD1-CB 3.95Å; I569-A584 HydrophobicContact CD1-CB 3.6Å; V580-A584 WeakPolarHBondContact O-CB 2.98Å; V580-A584 PolarHBondContact O-N 2.94Å; I581-A584 PolarHBondContact O-N 3.32Å; I581-A584 VanDerWaalsContact O-N 3.17Å; L582-A584 VanDerWaalsContact C-N 3.31Å; L582-A584 PolarHBondContact O-N 3.29Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 PolarHBondContact O-N 3.21Å; A584-R587 PolarHBondContact O-N 2.78Å; A584-R587 VanDerWaalsContact O-N 3.17Å; A584-F588 HydrophobicContact CB-CD2 4.24Å; A584-F588 HydrophobicContact CB-CE2 4.19Å; A584-F588 WeakPolarHBondContact O-CB 3.49Å; A584-F588 WeakPolarHBondContact O-CD2 3.47Å; A584-F588 WeakPolarHBondContact O-CG 3.29Å; A584-F588 PolarHBondContact O-N 2.94Å; A584-L642 HydrophobicContact CB-CB 4.42Å; A584-L642 HydrophobicContact CB-CD1 4.32Å; A584-L642 HydrophobicContact CB-CD2 3.81Å; A584-L642 HydrophobicContact CB-CG 4.41Å
585	Q	93.7	Very high	93	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-50.2	176	-74.9	180	-70.8	0	0	110.9	I581 R587 F588 G589 L590 L593 S595 F598 L642	I581-Q585 HydrophobicContact CG2-CG 4.33Å; I581-Q585 WeakPolarHBondContact O-CB 3.41Å; I581-Q585 WeakPolarHBondContact O-CG 3.37Å; I581-Q585 PolarHBondContact O-N 3.42Å; Q585-R587 VanDerWaalsContact C-N 3.34Å; Q585-R587 PolarHBondContact O-N 3.43Å; Q585-F588 CarbonylContact O-C 3.57Å; Q585-F588 PolarHBondContact O-N 2.93Å; Q585-G589 PolarHBondContact O-N 2.78Å; Q585-L590 HydrophobicContact CB-CB 4.26Å; Q585-L590 HydrophobicContact CG-CB 4.45Å; Q585-L590 PolarHBondContact O-N 2.9Å; Q585-L593 PolarHBondContact NE2-O 2.82Å; Q585-S595 VanDerWaalsContact OE1-CB 3.23Å; Q585-F598 HydrophobicContact CG-CD2 4.21Å; Q585-F598 HydrophobicContact CG-CE2 4.49Å; Q585-L642 HydrophobicContact CG-CD2 4.18Å
586	K	93.7	Very high	92.5	Very high	144 Å²	144	54.1 Å²	54.1	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-54.6	-47.3	177	178.3	166.6	-173.8	173.1	0	112.5	L582 A584 G589	L582-K586 WeakPolarHBondContact O-CB 3.47Å; L582-K586 PolarHBondContact O-N 3.31Å; L582-K586 VanDerWaalsContact O-N 3.09Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 PolarHBondContact O-N 3.21Å; K586-G589 PolarHBondContact O-N 2.84Å
587	R	93.1	Very high	92	Very high	141 Å²	141	57.1 Å²	57.1	53%	0.532	29%	0.289	S	S	.	.	H	α-helix	trans	-76.3	-23.4	-177.4	-70.2	-172.2	-175.9	-156	11	114.2	I567 Q568 Q583 A584 Q585 G589	I567-R587 HydrophobicContact CB-CB 4.44Å; I567-R587 HydrophobicContact CD1-CB 3.62Å; I567-R587 HydrophobicContact CG2-CB 4.15Å; Q568-R587 PolarHBondContact O-NH1 3.24Å; Q583-R587 WeakPolarHBondContact O-CG 3.24Å; Q583-R587 PolarHBondContact O-N 3.34Å; Q583-R587 VanDerWaalsContact O-N 3.17Å; A584-R587 PolarHBondContact O-N 2.78Å; A584-R587 VanDerWaalsContact O-N 3.17Å; Q585-R587 VanDerWaalsContact C-N 3.34Å; Q585-R587 PolarHBondContact O-N 3.43Å; R587-G589 VanDerWaalsContact C-N 3.33Å
588	F	92.9	Very high	91.6	Very high	14 Å²	14	57.4 Å²	57.4	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-85.2	-4	170	-68.9	-52.2	0	0	0	113.1	T551 P553 L556 L564 S565 I567 A584 Q585 L590 L642	T551-F588 HydrophobicContact CG2-CE2 4.35Å; P553-F588 HydrophobicContact CB-CE1 3.94Å; P553-F588 HydrophobicContact CB-CZ 3.98Å; P553-F588 HydrophobicContact CG-CE1 4.23Å; P553-F588 HydrophobicContact CG-CZ 4.42Å; L556-F588 HydrophobicContact CD1-CD2 3.83Å; L556-F588 HydrophobicContact CD1-CE2 4.11Å; L556-F588 HydrophobicContact CD1-CG 4.14Å; L564-F588 HydrophobicContact CB-CD1 4.15Å; L564-F588 HydrophobicContact CB-CE1 4.25Å; L564-F588 HydrophobicContact CD1-CB 4.16Å; L564-F588 HydrophobicContact CD1-CD1 3.79Å; L564-F588 HydrophobicContact CD1-CE1 4.43Å; L564-F588 HydrophobicContact CD1-CG 4.14Å; L564-F588 HydrophobicContact CD2-CD1 4.19Å; L564-F588 HydrophobicContact CG-CD1 4.28Å; S565-F588 WeakPolarHBondContact O-CE1 3.46Å; I567-F588 HydrophobicContact CB-CE1 4.49Å; I567-F588 HydrophobicContact CD1-CD1 4.39Å; I567-F588 HydrophobicContact CD1-CD2 3.87Å; I567-F588 HydrophobicContact CD1-CE1 4.13Å; I567-F588 HydrophobicContact CD1-CE2 3.57Å; I567-F588 HydrophobicContact CD1-CG 4.28Å; I567-F588 HydrophobicContact CD1-CZ 3.72Å; I567-F588 HydrophobicContact CG1-CE1 4.05Å; I567-F588 HydrophobicContact CG1-CE2 3.99Å; I567-F588 HydrophobicContact CG1-CZ 3.64Å; I567-F588 HydrophobicContact CG2-CD1 4.14Å; I567-F588 HydrophobicContact CG2-CE1 3.79Å; I567-F588 HydrophobicContact CG2-CZ 4.29Å; A584-F588 HydrophobicContact CB-CD2 4.24Å; A584-F588 HydrophobicContact CB-CE2 4.19Å; A584-F588 WeakPolarHBondContact O-CB 3.49Å; A584-F588 WeakPolarHBondContact O-CD2 3.47Å; A584-F588 WeakPolarHBondContact O-CG 3.29Å; A584-F588 PolarHBondContact O-N 2.94Å; Q585-F588 CarbonylContact O-C 3.57Å; Q585-F588 PolarHBondContact O-N 2.93Å; F588-L590 HydrophobicContact CB-CD1 4.19Å; F588-L590 HydrophobicContact CB-CG 4.13Å; F588-L642 HydrophobicContact CD2-CD2 3.71Å; F588-L642 HydrophobicContact CE2-CB 4.11Å; F588-L642 HydrophobicContact CE2-CD2 4.06Å
589	G	90.1	Very high	91.2	Very high	45 Å²	45	56 Å²	56	46%	0.464	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	22.2	-178.3	0	0	0	0	0	114.6	Q585 K586 R587 H592	Q585-G589 PolarHBondContact O-N 2.78Å; K586-G589 PolarHBondContact O-N 2.84Å; R587-G589 VanDerWaalsContact C-N 3.33Å; G589-H592 PolarHBondContact O-ND1 2.86Å
590	L	90	Very high	91	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.269	C	S	.	.			trans	-106.5	18.2	-175.4	-56.8	-180	0	0	0	113.4	L556 F559 Q585 F588 H592 L593 F598	L556-L590 HydrophobicContact CB-CD1 4.44Å; L556-L590 HydrophobicContact CD1-CD1 3.92Å; L556-L590 HydrophobicContact CD2-CD1 3.88Å; L556-L590 HydrophobicContact CG-CD1 4.3Å; F559-L590 HydrophobicContact CB-CD2 3.62Å; F559-L590 HydrophobicContact CG-CD2 4.43Å; Q585-L590 HydrophobicContact CB-CB 4.26Å; Q585-L590 HydrophobicContact CG-CB 4.45Å; Q585-L590 PolarHBondContact O-N 2.9Å; F588-L590 HydrophobicContact CB-CD1 4.19Å; F588-L590 HydrophobicContact CB-CG 4.13Å; L590-H592 PolarHBondContact O-N 2.78Å; L590-L593 HydrophobicContact CB-CD1 4.32Å; L590-L593 HydrophobicContact CD2-CD1 4.09Å; L590-L593 PolarHBondContact O-N 2.92Å; L590-L593 VanDerWaalsContact O-N 3.08Å; L590-F598 HydrophobicContact CD1-CE1 4.18Å; L590-F598 HydrophobicContact CD1-CZ 4.26Å
591	E	89.8	Confident	90.5	Very high	135 Å²	135	53.3 Å²	53.3	63%	0.631	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.9	-178.4	62.5	-162.6	-173	0	0	114.5	L593	E591-L593 VanDerWaalsContact C-N 3.25Å; E591-L593 PolarHBondContact O-N 2.78Å
592	H	88.6	Confident	90.2	Very high	139 Å²	139	53.7 Å²	53.7	64%	0.644	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.5	174.6	65	-84.9	0	0	0	113.3	G589 L590	G589-H592 PolarHBondContact O-ND1 2.86Å; L590-H592 PolarHBondContact O-N 2.78Å
593	L	89.5	Confident	89.7	Confident	30 Å²	30	50.1 Å²	50.1	16%	0.157	25%	0.252	C	S	.	.	S	Bend	trans	-102.8	144.6	179.9	-58.2	175.4	0	0	0	110.4	F559 Q585 L590 E591 S595 F598	F559-L593 HydrophobicContact CB-CD1 4.21Å; F559-L593 HydrophobicContact CD1-CD1 3.5Å; F559-L593 VanDerWaalsContact CD1-CD1 3.5Å; F559-L593 HydrophobicContact CD2-CD1 4.47Å; F559-L593 HydrophobicContact CE1-CD1 3.88Å; F559-L593 HydrophobicContact CG-CD1 3.82Å; F559-L593 HydrophobicContact CZ-CD1 4.5Å; Q585-L593 PolarHBondContact NE2-O 2.82Å; L590-L593 HydrophobicContact CB-CD1 4.32Å; L590-L593 HydrophobicContact CD2-CD1 4.09Å; L590-L593 PolarHBondContact O-N 2.92Å; L590-L593 VanDerWaalsContact O-N 3.08Å; E591-L593 VanDerWaalsContact C-N 3.25Å; E591-L593 PolarHBondContact O-N 2.78Å; L593-S595 PolarHBondContact O-N 2.74Å; L593-F598 HydrophobicContact CB-CE2 3.77Å; L593-F598 HydrophobicContact CB-CZ 4.17Å; L593-F598 HydrophobicContact CD1-CE2 4.25Å; L593-F598 HydrophobicContact CD1-CZ 3.76Å
594	D	88.4	Confident	89.2	Confident	94 Å²	94	48.9 Å²	48.9	50%	0.503	25%	0.248	S	C	.	.			trans	-58.9	129.7	176.8	177.4	23.8	0	0	0	111.5	G596 R597 F598	D594-G596 VanDerWaalsContact CG-N 3.34Å; D594-G596 PolarHBondContact O-N 2.83Å; D594-G596 PolarHBondContact OD1-N 3.35Å; D594-R597 HydrophobicContact CB-CG 4.17Å; D594-R597 VanDerWaalsContact O-CB 3.29Å; D594-R597 WeakPolarHBondContact O-CB 3.44Å; D594-R597 PolarHBondContact O-N 3.2Å; D594-F598 VanDerWaalsContact O-CD2 3.31Å; D594-F598 WeakPolarHBondContact O-CD2 3.31Å; D594-F598 WeakPolarHBondContact O-CE2 3.36Å
595	S	87.8	Confident	88.7	Confident	24 Å²	24	49.4 Å²	49.4	17%	0.168	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-59.7	-28.9	173.5	68.1	0	0	0	0	113.1	Q585 L593 R597 F598	Q585-S595 VanDerWaalsContact OE1-CB 3.23Å; L593-S595 PolarHBondContact O-N 2.74Å; S595-R597 PolarHBondContact O-N 3.09Å; S595-R597 VanDerWaalsContact O-N 3.16Å; S595-F598 PolarHBondContact O-N 2.92Å
596	G	85.1	Confident	87.9	Confident	46 Å²	46	49.3 Å²	49.3	47%	0.474	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-64.3	-12.4	173.9	0	0	0	0	0	114	D594 F598 I645	D594-G596 VanDerWaalsContact CG-N 3.34Å; D594-G596 PolarHBondContact O-N 2.83Å; D594-G596 PolarHBondContact OD1-N 3.35Å; G596-F598 VanDerWaalsContact C-N 3.33Å; G596-I645 WeakPolarHBondContact O-CD1 3.35Å
597	R	84.5	Confident	86.8	Confident	96 Å²	96	46.7 Å²	46.7	36%	0.362	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-88.5	3.8	172.6	-64.8	-178.7	169.8	-167.6	-6.4	113.7	D594 S595 P644 I645 E647	D594-R597 HydrophobicContact CB-CG 4.17Å; D594-R597 VanDerWaalsContact O-CB 3.29Å; D594-R597 WeakPolarHBondContact O-CB 3.44Å; D594-R597 PolarHBondContact O-N 3.2Å; S595-R597 PolarHBondContact O-N 3.09Å; S595-R597 VanDerWaalsContact O-N 3.16Å; R597-P644 CarbonylContact O-C 3.52Å; R597-P644 VanDerWaalsContact O-CA 3.29Å; R597-P644 WeakPolarHBondContact O-CA 3.27Å; R597-I645 PolarHBondContact O-N 3.02Å; R597-E647 HydrophobicContact CG-CG 4.34Å; R597-E647 WeakPolarHBondContact CG-OE1 3.44Å; R597-E647 IonicContact CZ-OE1 2.55Å; R597-E647 IonicContact CZ-OE2 2.96Å; R597-E647 IonicContact NE-OE1 2.9Å; R597-E647 PolarHBondContact NE-OE1 3.5Å; R597-E647 IonicContact NE-OE2 2.66Å; R597-E647 PolarHBondContact NE-OE2 3.4Å; R597-E647 IonicContact NH2-OE1 3.07Å; R597-E647 IonicContact NH2-OE2 2.72Å; R597-E647 PolarHBondContact NH2-OE2 3.36Å
598	F	88.6	Confident	85.5	Confident	6 Å²	6	42 Å²	42	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148	-178.2	-61	-88.3	0	0	0	111.3	L556 F559 I581 Q585 L590 L593 D594 S595 G596 L642 Q643 P644 I645	L556-F598 HydrophobicContact CD2-CD1 4.11Å; L556-F598 HydrophobicContact CD2-CE1 3.7Å; F559-F598 HydrophobicContact CD2-CE1 4.36Å; F559-F598 HydrophobicContact CD2-CZ 4.48Å; F559-F598 AromaticContact CE2-CE1 3.89Å; F559-F598 HydrophobicContact CE2-CE1 3.89Å; F559-F598 HydrophobicContact CE2-CZ 4.09Å; F559-F598 HydrophobicContact CZ-CE1 4.42Å; F559-F598 HydrophobicContact CZ-CZ 4.28Å; I581-F598 HydrophobicContact CG2-CB 4.02Å; Q585-F598 HydrophobicContact CG-CD2 4.21Å; Q585-F598 HydrophobicContact CG-CE2 4.49Å; L590-F598 HydrophobicContact CD1-CE1 4.18Å; L590-F598 HydrophobicContact CD1-CZ 4.26Å; L593-F598 HydrophobicContact CB-CE2 3.77Å; L593-F598 HydrophobicContact CB-CZ 4.17Å; L593-F598 HydrophobicContact CD1-CE2 4.25Å; L593-F598 HydrophobicContact CD1-CZ 3.76Å; D594-F598 VanDerWaalsContact O-CD2 3.31Å; D594-F598 WeakPolarHBondContact O-CD2 3.31Å; D594-F598 WeakPolarHBondContact O-CE2 3.36Å; S595-F598 PolarHBondContact O-N 2.92Å; G596-F598 VanDerWaalsContact C-N 3.33Å; F598-L642 HydrophobicContact CB-CD1 3.88Å; F598-L642 HydrophobicContact CB-CG 4.48Å; F598-L642 HydrophobicContact CD1-CD2 4.44Å; F598-L642 HydrophobicContact CD1-CG 4.28Å; F598-L642 HydrophobicContact CG-CD1 4.48Å; F598-Q643 VanDerWaalsContact CA-O 3.28Å; F598-Q643 WeakPolarHBondContact CA-O 3.29Å; F598-P644 HydrophobicContact CD1-CB 4.32Å; F598-P644 HydrophobicContact CE1-CB 4.17Å; F598-I645 WeakPolarHBondContact O-CD1 3.01Å
599	Q	87.2	Confident	84.7	Confident	46 Å²	46	43 Å²	43	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.4	173.5	63.7	-177.6	30.4	0	0	109.9	V601 V613 Q643 I645	Q599-V601 HydrophobicContact CG-CG2 4.35Å; Q599-V613 HydrophobicContact CB-CG1 4.29Å; Q599-V613 HydrophobicContact CG-CG1 4.44Å; Q599-Q643 HydrophobicContact CG-CB 4.44Å; Q599-Q643 PolarHBondContact N-O 3.27Å; Q599-Q643 PolarHBondContact O-N 2.94Å; Q599-I645 HydrophobicContact CB-CD1 4.12Å; Q599-I645 HydrophobicContact CB-CG1 3.85Å; Q599-I645 HydrophobicContact CG-CG1 3.96Å
600	L	91.4	Very high	83.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.2	173.1	-163.1	69.9	0	0	0	109.1	T551 V577 V580 I581 M614 F640 Y641	T551-L600 HydrophobicContact CG2-CD1 4.2Å; V577-L600 HydrophobicContact CG1-CB 3.65Å; V577-L600 HydrophobicContact CG1-CD2 4.08Å; V577-L600 HydrophobicContact CG2-CD2 4.35Å; V580-L600 HydrophobicContact CB-CD2 4.2Å; V580-L600 HydrophobicContact CG1-CD1 4.11Å; V580-L600 HydrophobicContact CG1-CD2 3.76Å; I581-L600 HydrophobicContact CD1-CB 4.46Å; I581-L600 HydrophobicContact CG1-CB 4.28Å; L600-M614 HydrophobicContact CB-SD 4.32Å; L600-M614 HydrophobicContact CD2-SD 3.73Å; L600-M614 HydrophobicContact CG-SD 3.98Å; L600-M614 WeakPolarHBondContact O-CB 3.35Å; L600-M614 WeakPolarHBondContact O-CG 3.47Å; L600-M614 PolarHBondContact O-N 2.69Å; L600-F640 HydrophobicContact CD1-CB 4.12Å; L600-F640 HydrophobicContact CD2-CD1 4.34Å; L600-F640 HydrophobicContact CG-CB 4.37Å; L600-Y641 WeakPolarHBondContact CA-O 3.46Å
601	V	86.2	Confident	83.3	Confident	3 Å²	3	49 Å²	49	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.5	179.2	-177.8	0	0	0	0	109.6	Q599 E611 R612 V613 F640 Y641 Q643	Q599-V601 HydrophobicContact CG-CG2 4.35Å; V601-E611 HydrophobicContact CG1-CB 4.09Å; V601-R612 WeakPolarHBondContact CA-O 3.46Å; V601-V613 HydrophobicContact CG2-CG2 4.37Å; V601-F640 CarbonylContact O-C 3.57Å; V601-F640 WeakPolarHBondContact O-CA 3.2Å; V601-Y641 PolarHBondContact N-O 3.07Å; V601-Y641 PolarHBondContact O-N 2.88Å; V601-Q643 HydrophobicContact CG2-CG 4.47Å
602	E	88.8	Confident	82.8	Confident	15 Å²	15	46.9 Å²	46.9	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.8	169.1	178.6	-174.9	-169	0	0	108.2	E611 R612 M614 R626 T638 F640	E602-E611 CarbonylContact O-C 3.45Å; E602-E611 WeakPolarHBondContact O-CA 3.38Å; E602-R612 HydrophobicContact CB-CB 4.42Å; E602-R612 PolarHBondContact N-O 3.45Å; E602-R612 PolarHBondContact O-N 2.7Å; E602-R612 IonicContact OE2-NH1 2.86Å; E602-R612 PolarHBondContact OE2-NH1 3.13Å; E602-M614 HydrophobicContact CB-CG 4.06Å; E602-M614 HydrophobicContact CB-SD 3.95Å; E602-R626 IonicContact OE1-NH2 2.78Å; E602-R626 PolarHBondContact OE1-NH2 3.01Å; E602-R626 IonicContact OE2-NH2 2.86Å; E602-R626 PolarHBondContact OE2-NH2 3.14Å; E602-T638 HydrophobicContact CG-CG2 3.96Å; E602-F640 HydrophobicContact CB-CE1 4.34Å; E602-F640 HydrophobicContact CG-CE1 4.29Å
603	T	85	Confident	82.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.7	177.2	-57.3	0	0	0	0	109.4	P104 L605 L609 V610 E611 T638 R639 Y641	P104-T603 HydrophobicContact CG-CG2 4.36Å; T603-L605 HydrophobicContact CG2-CD2 4.1Å; T603-L609 HydrophobicContact CG2-CD1 3.36Å; T603-V610 WeakPolarHBondContact CA-O 3.31Å; T603-E611 HydrophobicContact CG2-CG 4.16Å; T603-T638 WeakPolarHBondContact O-CA 3.42Å; T603-R639 PolarHBondContact N-O 2.94Å; T603-R639 PolarHBondContact O-N 3.39Å; T603-Y641 HydrophobicContact CG2-CE2 4.31Å; T603-Y641 WeakPolarHBondContact OG1-CD2 3.17Å
604	N	84.7	Confident	82.4	Confident	42 Å²	42	42.5 Å²	42.5	23%	0.225	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.5	178	-169.5	-40.8	0	0	0	110.7	D606 V610	N604-D606 WeakPolarHBondContact OD1-CB 3.14Å; N604-D606 PolarHBondContact OD1-N 3.04Å; N604-V610 PolarHBondContact N-O 3.35Å; N604-V610 PolarHBondContact O-N 3.48Å; N604-V610 VanDerWaalsContact O-N 3.14Å
605	L	83	Confident	82.5	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.052	23%	0.225	C	C	.	.			trans	-109.3	0.5	-178.4	-53	177.2	0	0	0	114.8	P104 A152 T603 R607 G608 L609 L637	P104-L605 HydrophobicContact CB-CD2 3.5Å; P104-L605 VanDerWaalsContact CB-CD2 3.5Å; P104-L605 HydrophobicContact CG-CD2 3.91Å; A152-L605 HydrophobicContact CB-CD2 4.36Å; T603-L605 HydrophobicContact CG2-CD2 4.1Å; L605-R607 PolarHBondContact O-N 3.04Å; L605-G608 CarbonylContact C-O 3.57Å; L605-G608 WeakPolarHBondContact CA-O 3.47Å; L605-L609 HydrophobicContact CD2-CD1 3.55Å; L605-L637 HydrophobicContact CB-CB 4.14Å; L605-L637 HydrophobicContact CB-CD2 4.41Å; L605-L637 PolarHBondContact N-O 3.42Å
606	D	76.8	Confident	82.5	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-29.4	-172.7	-175.2	52.3	0	0	0	113.7	D148 N604 R633 A634 L637	D148-D606 VanDerWaalsContact O-O 3.13Å; N604-D606 WeakPolarHBondContact OD1-CB 3.14Å; N604-D606 PolarHBondContact OD1-N 3.04Å; D606-R633 WeakPolarHBondContact OD1-CD 3.39Å; D606-R633 WeakPolarHBondContact OD1-CG 3.33Å; D606-R633 IonicContact OD1-CZ 3.21Å; D606-R633 IonicContact OD1-NE 2.96Å; D606-R633 PolarHBondContact OD1-NE 3.44Å; D606-A634 HydrophobicContact CB-CB 4.12Å; D606-L637 HydrophobicContact CB-CB 4.49Å; D606-L637 HydrophobicContact CB-CD1 3.95Å
607	R	70.7	Confident	82.8	Confident	89 Å²	89	44 Å²	44	34%	0.336	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.5	50.4	-170	-60.5	-177.2	-170.2	176.1	-8.4	111.8	R463 L605	R463-R607 VanDerWaalsContact CG-NH2 3.27Å; L605-R607 PolarHBondContact O-N 3.04Å
608	G	67.6	Low	83.3	Confident	42 Å²	42	41.6 Å²	41.6	43%	0.433	24%	0.242	S	C	.	.	S	Bend	trans	91.6	179.1	-164.5	0	0	0	0	0	111.2	L605	L605-G608 CarbonylContact C-O 3.57Å; L605-G608 WeakPolarHBondContact CA-O 3.47Å
609	L	74.4	Confident	83.5	Confident	35 Å²	35	47.2 Å²	47.2	18%	0.183	26%	0.263	C	S	.	.			trans	-90.1	115.5	175.7	179.9	63.8	0	0	0	108.5	P104 P106 T603 L605 E611	P104-L609 HydrophobicContact CB-CD1 3.92Å; P104-L609 HydrophobicContact CG-CD1 3.74Å; P104-L609 HydrophobicContact CG-CD2 4.49Å; P104-L609 WeakPolarHBondContact O-CD2 3.45Å; P106-L609 HydrophobicContact CB-CB 4.29Å; P106-L609 HydrophobicContact CG-CD2 4.41Å; T603-L609 HydrophobicContact CG2-CD1 3.36Å; L605-L609 HydrophobicContact CD2-CD1 3.55Å; L609-E611 HydrophobicContact CD1-CG 4.41Å; L609-E611 HydrophobicContact CG-CG 4.48Å
610	V	73.2	Confident	83.8	Confident	93 Å²	93	45 Å²	45	56%	0.564	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.7	171.8	-178.4	0	0	0	0	108.2	T603 N604	T603-V610 WeakPolarHBondContact CA-O 3.31Å; N604-V610 PolarHBondContact N-O 3.35Å; N604-V610 PolarHBondContact O-N 3.48Å; N604-V610 VanDerWaalsContact O-N 3.14Å
611	E	77.5	Confident	83.8	Confident	80 Å²	80	45.9 Å²	45.9	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.6	179.1	-59.2	-166.7	139.8	0	0	110.2	L162 V601 E602 T603 L609	L162-E611 WeakPolarHBondContact CD1-OE1 3.47Å; V601-E611 HydrophobicContact CG1-CB 4.09Å; E602-E611 CarbonylContact O-C 3.45Å; E602-E611 WeakPolarHBondContact O-CA 3.38Å; T603-E611 HydrophobicContact CG2-CG 4.16Å; L609-E611 HydrophobicContact CD1-CG 4.41Å; L609-E611 HydrophobicContact CG-CG 4.48Å
612	R	80.2	Confident	84	Confident	92 Å²	92	49.8 Å²	49.8	35%	0.347	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	121.1	177	177.6	178.7	175.6	-114.8	-8.3	109.3	V601 E602 E618	V601-R612 WeakPolarHBondContact CA-O 3.46Å; E602-R612 HydrophobicContact CB-CB 4.42Å; E602-R612 PolarHBondContact N-O 3.45Å; E602-R612 PolarHBondContact O-N 2.7Å; E602-R612 IonicContact OE2-NH1 2.86Å; E602-R612 PolarHBondContact OE2-NH1 3.13Å; R612-E618 IonicContact CZ-OE1 3.03Å; R612-E618 IonicContact CZ-OE2 3.41Å; R612-E618 VanDerWaalsContact CZ-OE2 3.27Å; R612-E618 IonicContact NH1-OE2 2.7Å; R612-E618 PolarHBondContact NH1-OE2 2.84Å; R612-E618 IonicContact NH2-OE1 3.02Å; R612-E618 PolarHBondContact NH2-OE1 3.35Å; R612-E618 IonicContact NH2-OE2 2.85Å; R612-E618 PolarHBondContact NH2-OE2 2.91Å
613	V	82.1	Confident	84.1	Confident	68 Å²	68	49.4 Å²	49.4	41%	0.412	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.3	169.1	-176.3	0	0	0	0	108.3	Q599 V601	Q599-V613 HydrophobicContact CB-CG1 4.29Å; Q599-V613 HydrophobicContact CG-CG1 4.44Å; V601-V613 HydrophobicContact CG2-CG2 4.37Å
614	M	88.1	Confident	84.3	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.039	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-96.2	136.2	-176.9	-52.4	-177	66.7	0	0	110.2	V577 L600 E602 L620 I623 F640	V577-M614 HydrophobicContact CG1-CB 4.2Å; V577-M614 HydrophobicContact CG2-CB 3.83Å; V577-M614 HydrophobicContact CG2-CE 3.66Å; V577-M614 HydrophobicContact CG2-SD 4.3Å; L600-M614 HydrophobicContact CB-SD 4.32Å; L600-M614 HydrophobicContact CD2-SD 3.73Å; L600-M614 HydrophobicContact CG-SD 3.98Å; L600-M614 WeakPolarHBondContact O-CB 3.35Å; L600-M614 WeakPolarHBondContact O-CG 3.47Å; L600-M614 PolarHBondContact O-N 2.69Å; E602-M614 HydrophobicContact CB-CG 4.06Å; E602-M614 HydrophobicContact CB-SD 3.95Å; M614-L620 HydrophobicContact CE-CD1 3.83Å; M614-I623 HydrophobicContact CE-CD1 3.09Å; M614-F640 HydrophobicContact CE-CE1 4.36Å; M614-F640 HydrophobicContact SD-CD1 3.84Å; M614-F640 HydrophobicContact SD-CE1 4Å
615	S	89.3	Confident	84.6	Confident	60 Å²	60	52.1 Å²	52.1	42%	0.42	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-70.8	145.6	174.2	64.5	0	0	0	0	111.1	V577 G617 E618	V577-S615 WeakPolarHBondContact CB-O 3.45Å; V577-S615 WeakPolarHBondContact CG2-O 3.49Å; S615-G617 PolarHBondContact O-N 3.11Å; S615-E618 WeakPolarHBondContact CB-OE1 3.47Å; S615-E618 PolarHBondContact N-OE1 2.88Å; S615-E618 WeakPolarHBondContact O-CB 3.49Å; S615-E618 PolarHBondContact O-N 2.82Å; S615-E618 VanDerWaalsContact OG-CD 3.27Å; S615-E618 WeakPolarHBondContact OG-CG 3.46Å; S615-E618 PolarHBondContact OG-OE1 3.48Å
616	S	88.7	Confident	85	Confident	80 Å²	80	57 Å²	57	56%	0.559	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32.8	-175.1	55	0	0	0	0	113.7	H578	H578-S616 PolarHBondContact N-O 2.95Å; H578-S616 VanDerWaalsContact N-O 3.1Å
617	G	91.5	Very high	85.7	Confident	57 Å²	57	57.4 Å²	57.4	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6	178.6	0	0	0	0	0	115.2	S615	S615-G617 PolarHBondContact O-N 3.11Å
618	E	93.8	Very high	86.7	Confident	45 Å²	45	54.8 Å²	54.8	21%	0.21	30%	0.302	C	S	.	.			trans	-65	140.7	177	-96.3	169.6	-110.4	0	0	111.2	T576 V577 R612 S615	T576-E618 CarbonylContact C-O 3.59Å; T576-E618 WeakPolarHBondContact CA-O 3.37Å; V577-E618 HydrophobicContact CG2-CB 4.05Å; V577-E618 WeakPolarHBondContact CG2-O 3.5Å; V577-E618 PolarHBondContact N-O 3.16Å; R612-E618 IonicContact CZ-OE1 3.03Å; R612-E618 IonicContact CZ-OE2 3.41Å; R612-E618 VanDerWaalsContact CZ-OE2 3.27Å; R612-E618 IonicContact NH1-OE2 2.7Å; R612-E618 PolarHBondContact NH1-OE2 2.84Å; R612-E618 IonicContact NH2-OE1 3.02Å; R612-E618 PolarHBondContact NH2-OE1 3.35Å; R612-E618 IonicContact NH2-OE2 2.85Å; R612-E618 PolarHBondContact NH2-OE2 2.91Å; S615-E618 WeakPolarHBondContact CB-OE1 3.47Å; S615-E618 PolarHBondContact N-OE1 2.88Å; S615-E618 WeakPolarHBondContact O-CB 3.49Å; S615-E618 PolarHBondContact O-N 2.82Å; S615-E618 VanDerWaalsContact OG-CD 3.27Å; S615-E618 WeakPolarHBondContact OG-CG 3.46Å; S615-E618 PolarHBondContact OG-OE1 3.48Å
619	R	94.3	Very high	87.8	Confident	124 Å²	124	59.4 Å²	59.4	47%	0.468	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-90.6	120	175.4	-66.2	-176.8	-179	-143.6	2.1	109.9	R573 D574 W621 T622	R573-R619 PolarHBondContact O-NH1 3.14Å; R573-R619 VanDerWaalsContact O-NH1 3.14Å; D574-R619 IonicContact OD1-CZ 3.4Å; D574-R619 IonicContact OD1-NH1 2.76Å; D574-R619 PolarHBondContact OD1-NH1 2.95Å; R619-W621 VanDerWaalsContact C-N 3.26Å; R619-W621 PolarHBondContact O-N 2.86Å; R619-T622 PolarHBondContact O-N 3.35Å
620	L	92	Very high	88.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-31.9	-176.8	-173.9	64.4	0	0	0	112.1	I549 V571 T575 V580 M614 T622 I623 L624 F640	I549-L620 HydrophobicContact CD1-CD2 3.39Å; I549-L620 HydrophobicContact CG1-CD2 3.97Å; I549-L620 HydrophobicContact CG2-CD2 4.11Å; V571-L620 HydrophobicContact CB-CD2 4.39Å; V571-L620 HydrophobicContact CG1-CB 3.92Å; V571-L620 HydrophobicContact CG1-CD2 3.95Å; V571-L620 HydrophobicContact CG1-CG 4.09Å; V571-L620 HydrophobicContact CG2-CD2 3.48Å; V571-L620 VanDerWaalsContact CG2-CD2 3.48Å; V571-L620 HydrophobicContact CG2-CG 4.41Å; T575-L620 PolarHBondContact O-N 3.17Å; V580-L620 HydrophobicContact CG2-CD2 3.75Å; M614-L620 HydrophobicContact CE-CD1 3.83Å; L620-T622 VanDerWaalsContact C-N 3.32Å; L620-T622 PolarHBondContact O-N 2.85Å; L620-I623 WeakPolarHBondContact O-CB 2.88Å; L620-I623 PolarHBondContact O-N 2.84Å; L620-I623 VanDerWaalsContact O-N 3.11Å; L620-L624 WeakPolarHBondContact O-CG 3.36Å; L620-L624 PolarHBondContact O-N 3.13Å; L620-F640 HydrophobicContact CD1-CD1 3.96Å; L620-F640 HydrophobicContact CD1-CE1 3.38Å; L620-F640 HydrophobicContact CD1-CE2 4.36Å; L620-F640 HydrophobicContact CD1-CZ 3.62Å
621	W	91.6	Very high	89.6	Confident	17 Å²	17	56.3 Å²	56.3	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-56.3	-44.2	176.1	-168.6	-85.1	0	0	0	112.7	E547 V571 T572 R573 R619 I623 L624 E625	E547-W621 HydrophobicContact CB-CZ3 4.03Å; E547-W621 HydrophobicContact CG-CH2 3.86Å; E547-W621 HydrophobicContact CG-CZ3 3.74Å; V571-W621 HydrophobicContact CG1-CE3 4.35Å; V571-W621 WeakPolarHBondContact O-CZ3 3.48Å; T572-W621 VanDerWaalsContact C-CE3 3.44Å; R573-W621 HydrophobicContact CB-CG 4.37Å; R573-W621 HydrophobicContact CG-CD2 3.8Å; R573-W621 HydrophobicContact CG-CE3 4.48Å; R573-W621 HydrophobicContact CG-CG 3.94Å; R573-W621 HydrophobicContact CG-CZ2 4.19Å; R619-W621 VanDerWaalsContact C-N 3.26Å; R619-W621 PolarHBondContact O-N 2.86Å; W621-I623 PolarHBondContact O-N 2.61Å; W621-L624 PolarHBondContact O-N 3.2Å; W621-E625 PolarHBondContact NE1-OE1 3.02Å; W621-E625 PolarHBondContact O-N 3.19Å
622	T	91.5	Very high	90.4	Very high	85 Å²	85	52.5 Å²	52.5	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-34.7	178.4	-53.2	0	0	0	0	111.7	R619 L620 R626	R619-T622 PolarHBondContact O-N 3.35Å; L620-T622 VanDerWaalsContact C-N 3.32Å; L620-T622 PolarHBondContact O-N 2.85Å; T622-R626 VanDerWaalsContact O-CB 3.24Å; T622-R626 WeakPolarHBondContact O-CB 3.33Å; T622-R626 PolarHBondContact O-N 3.38Å
623	I	89.1	Confident	90.9	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-71.7	-44	177.2	-65.8	168.1	0	0	0	110.4	M614 L620 W621 R626 V627	M614-I623 HydrophobicContact CE-CD1 3.09Å; L620-I623 WeakPolarHBondContact O-CB 2.88Å; L620-I623 PolarHBondContact O-N 2.84Å; L620-I623 VanDerWaalsContact O-N 3.11Å; W621-I623 PolarHBondContact O-N 2.61Å; I623-R626 WeakPolarHBondContact O-CB 3.39Å; I623-R626 PolarHBondContact O-N 3.29Å; I623-V627 HydrophobicContact CG2-CG2 4.3Å; I623-V627 WeakPolarHBondContact O-CB 3.47Å; I623-V627 VanDerWaalsContact O-CG2 3.27Å; I623-V627 WeakPolarHBondContact O-CG2 3.2Å; I623-V627 PolarHBondContact O-N 2.9Å
624	L	91	Very high	91.3	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.5	-66.5	175	0	0	0	111.5	E547 I549 V571 L620 W621 R626 V627 K628 L635 F640	E547-L624 HydrophobicContact CB-CD1 4.31Å; I549-L624 HydrophobicContact CG2-CD1 3.79Å; I549-L624 HydrophobicContact CG2-CD2 3.89Å; I549-L624 HydrophobicContact CG2-CG 4.37Å; V571-L624 HydrophobicContact CB-CD1 4.45Å; V571-L624 HydrophobicContact CG1-CD1 4.28Å; L620-L624 WeakPolarHBondContact O-CG 3.36Å; L620-L624 PolarHBondContact O-N 3.13Å; W621-L624 PolarHBondContact O-N 3.2Å; L624-R626 PolarHBondContact O-N 2.87Å; L624-V627 PolarHBondContact O-N 3.46Å; L624-K628 WeakPolarHBondContact O-CB 3.27Å; L624-K628 WeakPolarHBondContact O-CG 3.47Å; L624-K628 PolarHBondContact O-N 3.04Å; L624-L635 HydrophobicContact CD2-CD1 4.5Å; L624-F640 HydrophobicContact CD2-CE2 4.31Å; L624-F640 HydrophobicContact CD2-CZ 4.3Å
625	E	90.8	Very high	91.4	Very high	89 Å²	89	46.6 Å²	46.6	42%	0.416	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-44.6	175.7	-75.7	-177.5	157.9	0	0	112.1	W621 R629	W621-E625 PolarHBondContact NE1-OE1 3.02Å; W621-E625 PolarHBondContact O-N 3.19Å; E625-R629 WeakPolarHBondContact O-CB 3.37Å; E625-R629 PolarHBondContact O-N 3.17Å
626	R	91.6	Very high	91.3	Very high	112 Å²	112	48 Å²	48	42%	0.423	24%	0.237	S	C	.	.	H	α-helix	trans	-58	-53.8	175.4	179.3	-173.6	69.4	-175.3	2.4	110.8	E602 T622 I623 L624 R629 E630	E602-R626 IonicContact OE1-NH2 2.78Å; E602-R626 PolarHBondContact OE1-NH2 3.01Å; E602-R626 IonicContact OE2-NH2 2.86Å; E602-R626 PolarHBondContact OE2-NH2 3.14Å; T622-R626 VanDerWaalsContact O-CB 3.24Å; T622-R626 WeakPolarHBondContact O-CB 3.33Å; T622-R626 PolarHBondContact O-N 3.38Å; I623-R626 WeakPolarHBondContact O-CB 3.39Å; I623-R626 PolarHBondContact O-N 3.29Å; L624-R626 PolarHBondContact O-N 2.87Å; R626-R629 PolarHBondContact O-N 3.26Å; R626-E630 HydrophobicContact CG-CG 4.49Å; R626-E630 WeakPolarHBondContact O-CB 3.37Å; R626-E630 VanDerWaalsContact O-CG 3.3Å; R626-E630 WeakPolarHBondContact O-CG 3.3Å; R626-E630 PolarHBondContact O-N 3.46Å
627	V	90.9	Very high	91.3	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-42.9	-176.8	177.2	0	0	0	0	111	I623 L624 R629 E630 S631 A634 L635	I623-V627 HydrophobicContact CG2-CG2 4.3Å; I623-V627 WeakPolarHBondContact O-CB 3.47Å; I623-V627 VanDerWaalsContact O-CG2 3.27Å; I623-V627 WeakPolarHBondContact O-CG2 3.2Å; I623-V627 PolarHBondContact O-N 2.9Å; L624-V627 PolarHBondContact O-N 3.46Å; V627-R629 VanDerWaalsContact C-N 3.26Å; V627-R629 PolarHBondContact O-N 2.88Å; V627-E630 PolarHBondContact O-N 3.43Å; V627-S631 CarbonylContact O-C 3.42Å; V627-S631 PolarHBondContact O-N 2.82Å; V627-S631 VanDerWaalsContact O-O 3.06Å; V627-A634 HydrophobicContact CG1-CB 3.95Å; V627-L635 VanDerWaalsContact CG1-CA 3.46Å; V627-L635 HydrophobicContact CG1-CB 4.06Å; V627-L635 HydrophobicContact CG1-CD1 4.42Å; V627-L635 VanDerWaalsContact CG1-N 3.34Å
628	K	91.1	Very high	91.2	Very high	35 Å²	35	42.5 Å²	42.5	15%	0.152	19%	0.189	C	C	.	.	H	α-helix	trans	-53	-42.9	173.2	-82.2	176.8	176.7	-156.7	0	112.9	E547 L624 L635	E547-K628 WeakPolarHBondContact OE1-CE 3.47Å; E547-K628 IonicContact OE1-NZ 2.77Å; E547-K628 PolarHBondContact OE1-NZ 3Å; E547-K628 WeakPolarHBondContact OE2-CE 3.4Å; E547-K628 IonicContact OE2-NZ 3.18Å; E547-K628 PolarHBondContact OE2-NZ 2.91Å; L624-K628 WeakPolarHBondContact O-CB 3.27Å; L624-K628 WeakPolarHBondContact O-CG 3.47Å; L624-K628 PolarHBondContact O-N 3.04Å; K628-L635 HydrophobicContact CD-CD2 4.45Å; K628-L635 HydrophobicContact CG-CD1 3.61Å; K628-L635 HydrophobicContact CG-CD2 3.52Å; K628-L635 HydrophobicContact CG-CG 4.09Å
629	R	90.9	Very high	91	Very high	138 Å²	138	40.9 Å²	40.9	52%	0.521	18%	0.181	S	C	.	.	H	α-helix	trans	-74.1	-37.7	-179.2	-175.2	175	178.8	-173.7	2.5	112.1	W461 R538 E625 R626 V627	W461-R629 WeakPolarHBondContact CB-O 3.4Å; W461-R629 VanDerWaalsContact CD1-CG 3.49Å; W461-R629 HydrophobicContact CG-CG 4.38Å; W461-R629 PolarHBondContact N-O 3.35Å; W461-R629 VanDerWaalsContact N-O 3.09Å; R538-R629 PolarHBondContact NH1-O 3.03Å; E625-R629 WeakPolarHBondContact O-CB 3.37Å; E625-R629 PolarHBondContact O-N 3.17Å; R626-R629 PolarHBondContact O-N 3.26Å; V627-R629 VanDerWaalsContact C-N 3.26Å; V627-R629 PolarHBondContact O-N 2.88Å
630	E	92.5	Very high	90.9	Very high	60 Å²	60	35.2 Å²	35.2	28%	0.28	16%	0.159	S	C	.	.	H	α-helix	trans	-76.8	-41.5	-175.7	-73.6	-60	144.3	0	0	113.4	G460 W461 G462 R465 R626 V627	G460-E630 CarbonylContact C-O 3.46Å; G460-E630 VanDerWaalsContact C-O 3.27Å; G460-E630 VanDerWaalsContact CA-O 3.28Å; G460-E630 WeakPolarHBondContact CA-O 3.48Å; W461-E630 PolarHBondContact N-O 3.18Å; G462-E630 WeakPolarHBondContact CA-OE2 3.41Å; G462-E630 PolarHBondContact N-O 3.5Å; G462-E630 PolarHBondContact N-OE2 3.49Å; G462-E630 VanDerWaalsContact N-OE2 3.14Å; R465-E630 IonicContact CZ-OE1 3.93Å; R465-E630 VanDerWaalsContact NH1-CD 3.3Å; R465-E630 IonicContact NH1-OE1 3.2Å; R465-E630 PolarHBondContact NH1-OE1 2.8Å; R465-E630 IonicContact NH1-OE2 2.7Å; R465-E630 PolarHBondContact NH1-OE2 3.49Å; R465-E630 VanDerWaalsContact NH1-OE2 3.07Å; R465-E630 IonicContact NH2-OE1 2.92Å; R465-E630 PolarHBondContact NH2-OE1 3.11Å; R626-E630 HydrophobicContact CG-CG 4.49Å; R626-E630 WeakPolarHBondContact O-CB 3.37Å; R626-E630 VanDerWaalsContact O-CG 3.3Å; R626-E630 WeakPolarHBondContact O-CG 3.3Å; R626-E630 PolarHBondContact O-N 3.46Å; V627-E630 PolarHBondContact O-N 3.43Å
631	S	93.5	Very high	90.8	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	16%	0.161	C	C	.	.			trans	-165.6	126.6	176.5	164.9	0	0	0	0	111.9	D459 V627 R633 A634 L635	D459-S631 WeakPolarHBondContact O-CA 3.42Å; D459-S631 WeakPolarHBondContact OD2-CB 3.32Å; D459-S631 PolarHBondContact OD2-OG 3.22Å; V627-S631 CarbonylContact O-C 3.42Å; V627-S631 PolarHBondContact O-N 2.82Å; V627-S631 VanDerWaalsContact O-O 3.06Å; S631-R633 PolarHBondContact O-N 2.81Å; S631-R633 WeakPolarHBondContact OG-CB 3.23Å; S631-R633 PolarHBondContact OG-N 3.11Å; S631-R633 VanDerWaalsContact OG-N 3.11Å; S631-A634 PolarHBondContact O-N 3.01Å; S631-A634 PolarHBondContact OG-N 3.16Å; S631-L635 PolarHBondContact O-N 2.86Å
632	V	93.7	Very high	90.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-26.5	171.8	-60.3	0	0	0	0	112.4	D459 L493 Y501 I537 R636	D459-V632 HydrophobicContact CB-CG2 4.16Å; D459-V632 WeakPolarHBondContact O-CG2 3.41Å; D459-V632 PolarHBondContact O-N 3.42Å; L493-V632 HydrophobicContact CD1-CG2 3.84Å; Y501-V632 HydrophobicContact CD1-CB 4.27Å; Y501-V632 HydrophobicContact CD1-CG1 4.03Å; Y501-V632 HydrophobicContact CE1-CB 3.82Å; Y501-V632 HydrophobicContact CE1-CG1 4.01Å; Y501-V632 HydrophobicContact CE1-CG2 4.39Å; I537-V632 HydrophobicContact CB-CG1 4.43Å; I537-V632 HydrophobicContact CB-CG2 4.11Å; I537-V632 HydrophobicContact CD1-CG2 4.49Å; I537-V632 HydrophobicContact CG2-CG1 4.16Å; I537-V632 HydrophobicContact CG2-CG2 3.95Å; I537-V632 WeakPolarHBondContact O-CG1 3.4Å; V632-R636 PolarHBondContact O-N 2.86Å
633	R	91.5	Very high	90.3	Very high	3 Å²	3	31 Å²	31	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-75.2	-46.8	176.7	-171.5	-179	157.7	76.6	11.1	110.9	D148 F491 Q492 L493 D606 S631 L635 R636 L637	D148-R633 PolarHBondContact O-NH2 2.79Å; F491-R633 WeakPolarHBondContact O-CD 3.42Å; F491-R633 PolarHBondContact O-NH1 2.99Å; Q492-R633 PolarHBondContact O-NH1 2.78Å; Q492-R633 VanDerWaalsContact O-NH1 3.14Å; L493-R633 HydrophobicContact CD1-CB 4.1Å; L493-R633 HydrophobicContact CD2-CB 4.4Å; L493-R633 HydrophobicContact CD2-CG 4.08Å; L493-R633 HydrophobicContact CG-CB 4.49Å; L493-R633 HydrophobicContact CG-CG 4.36Å; D606-R633 WeakPolarHBondContact OD1-CD 3.39Å; D606-R633 WeakPolarHBondContact OD1-CG 3.33Å; D606-R633 IonicContact OD1-CZ 3.21Å; D606-R633 IonicContact OD1-NE 2.96Å; D606-R633 PolarHBondContact OD1-NE 3.44Å; S631-R633 PolarHBondContact O-N 2.81Å; S631-R633 WeakPolarHBondContact OG-CB 3.23Å; S631-R633 PolarHBondContact OG-N 3.11Å; S631-R633 VanDerWaalsContact OG-N 3.11Å; R633-L635 PolarHBondContact O-N 3.04Å; R633-R636 PolarHBondContact O-N 3.37Å; R633-R636 VanDerWaalsContact O-N 3.12Å; R633-L637 HydrophobicContact CG-CD1 3.91Å; R633-L637 WeakPolarHBondContact O-CB 3.22Å; R633-L637 WeakPolarHBondContact O-CG 3.35Å; R633-L637 PolarHBondContact O-N 3.02Å
634	A	90.4	Very high	89.9	Confident	9 Å²	9	30.8 Å²	30.8	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-38.4	172.9	0	0	0	0	0	111.8	D606 V627 S631 R636 L637 T638	D606-A634 HydrophobicContact CB-CB 4.12Å; V627-A634 HydrophobicContact CG1-CB 3.95Å; S631-A634 PolarHBondContact O-N 3.01Å; S631-A634 PolarHBondContact OG-N 3.16Å; A634-R636 VanDerWaalsContact C-N 3.35Å; A634-R636 PolarHBondContact O-N 2.79Å; A634-L637 CarbonylContact O-C 3.57Å; A634-L637 PolarHBondContact O-N 2.9Å; A634-L637 VanDerWaalsContact O-N 3.12Å; A634-T638 WeakPolarHBondContact O-CB 3.3Å; A634-T638 PolarHBondContact O-N 2.78Å; A634-T638 PolarHBondContact O-OG1 3.09Å
635	L	90.2	Very high	89.1	Confident	32 Å²	32	33.5 Å²	33.5	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-57.2	-46.1	174.5	178.9	66.7	0	0	0	112.6	L624 V627 K628 S631 R633 L637	L624-L635 HydrophobicContact CD2-CD1 4.5Å; V627-L635 VanDerWaalsContact CG1-CA 3.46Å; V627-L635 HydrophobicContact CG1-CB 4.06Å; V627-L635 HydrophobicContact CG1-CD1 4.42Å; V627-L635 VanDerWaalsContact CG1-N 3.34Å; K628-L635 HydrophobicContact CD-CD2 4.45Å; K628-L635 HydrophobicContact CG-CD1 3.61Å; K628-L635 HydrophobicContact CG-CD2 3.52Å; K628-L635 HydrophobicContact CG-CG 4.09Å; S631-L635 PolarHBondContact O-N 2.86Å; R633-L635 PolarHBondContact O-N 3.04Å; L635-L637 VanDerWaalsContact C-N 3.26Å; L635-L637 PolarHBondContact O-N 3.02Å
636	R	87.2	Confident	87.6	Confident	89 Å²	89	31.9 Å²	31.9	34%	0.336	14%	0.139	S	C	.	.	H	α-helix	trans	-70.9	-23.3	178.7	-65.8	-71.8	-77.7	116.2	-3.8	112.5	F99 L493 E497 V632 R633 A634	F99-R636 WeakPolarHBondContact CD1-O 3.29Å; F99-R636 HydrophobicContact CE1-CB 3.56Å; F99-R636 VanDerWaalsContact CE1-O 3.31Å; F99-R636 WeakPolarHBondContact CE1-O 3.46Å; F99-R636 HydrophobicContact CZ-CB 3.78Å; L493-R636 HydrophobicContact CD2-CB 4.44Å; L493-R636 HydrophobicContact CD2-CG 4.38Å; E497-R636 IonicContact OE1-CZ 3.22Å; E497-R636 IonicContact OE1-NE 3.97Å; E497-R636 IonicContact OE1-NH2 2.77Å; E497-R636 PolarHBondContact OE1-NH2 3.18Å; E497-R636 IonicContact OE2-CZ 3.92Å; E497-R636 IonicContact OE2-NE 3.86Å; E497-R636 PolarHBondContact OE2-NE 3.44Å; E497-R636 IonicContact OE2-NH2 2.97Å; V632-R636 PolarHBondContact O-N 2.86Å; R633-R636 PolarHBondContact O-N 3.37Å; R633-R636 VanDerWaalsContact O-N 3.12Å; A634-R636 VanDerWaalsContact C-N 3.35Å; A634-R636 PolarHBondContact O-N 2.79Å
637	L	88.4	Confident	85.4	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-102.8	-2.1	-175	-69.2	178.1	0	0	0	114.8	P98 F99 L605 D606 R633 A634 L635	P98-L637 HydrophobicContact CB-CD2 3.5Å; P98-L637 VanDerWaalsContact CB-CD2 3.5Å; P98-L637 HydrophobicContact CG-CD2 4.49Å; F99-L637 HydrophobicContact CD1-CD2 3.58Å; F99-L637 HydrophobicContact CE1-CD2 3.31Å; F99-L637 HydrophobicContact CE1-CG 3.9Å; F99-L637 HydrophobicContact CZ-CD2 4.32Å; L605-L637 HydrophobicContact CB-CB 4.14Å; L605-L637 HydrophobicContact CB-CD2 4.41Å; L605-L637 PolarHBondContact N-O 3.42Å; D606-L637 HydrophobicContact CB-CB 4.49Å; D606-L637 HydrophobicContact CB-CD1 3.95Å; R633-L637 HydrophobicContact CG-CD1 3.91Å; R633-L637 WeakPolarHBondContact O-CB 3.22Å; R633-L637 WeakPolarHBondContact O-CG 3.35Å; R633-L637 PolarHBondContact O-N 3.02Å; A634-L637 CarbonylContact O-C 3.57Å; A634-L637 PolarHBondContact O-N 2.9Å; A634-L637 VanDerWaalsContact O-N 3.12Å; L635-L637 VanDerWaalsContact C-N 3.26Å; L635-L637 PolarHBondContact O-N 3.02Å
638	T	90.3	Very high	83.1	Confident	20 Å²	20	36.3 Å²	36.3	12%	0.123	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.6	174.4	-59	0	0	0	0	109.1	E602 T603 A634 F640	E602-T638 HydrophobicContact CG-CG2 3.96Å; T603-T638 WeakPolarHBondContact O-CA 3.42Å; A634-T638 WeakPolarHBondContact O-CB 3.3Å; A634-T638 PolarHBondContact O-N 2.78Å; A634-T638 PolarHBondContact O-OG1 3.09Å; T638-F640 HydrophobicContact CG2-CE1 4.36Å; T638-F640 HydrophobicContact CG2-CE2 4.26Å; T638-F640 HydrophobicContact CG2-CZ 3.87Å
639	R	89.3	Confident	80.8	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.045	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.4	179.8	-61.3	-177.1	-176.4	-177	1.3	110	P98 F99 T101 K102 F552 T603 Y641	P98-R639 PolarHBondContact O-NH2 2.83Å; F99-R639 PolarHBondContact O-NH2 3.42Å; T101-R639 PolarHBondContact O-NH1 3.32Å; T101-R639 PolarHBondContact O-NH2 2.97Å; K102-R639 PolarHBondContact O-NH1 3.3Å; F552-R639 HydrophobicContact CD2-CB 4Å; F552-R639 HydrophobicContact CD2-CG 4.34Å; F552-R639 HydrophobicContact CE2-CB 3.86Å; F552-R639 HydrophobicContact CE2-CG 3.74Å; F552-R639 HydrophobicContact CZ-CG 4.2Å; T603-R639 PolarHBondContact N-O 2.94Å; T603-R639 PolarHBondContact O-N 3.39Å; R639-Y641 HydrophobicContact CB-CD2 4.24Å; R639-Y641 HydrophobicContact CB-CE2 3.7Å; R639-Y641 PolarHBondContact NH1-OH 2.84Å
640	F	92.5	Very high	78.7	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.022	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.7	176.1	-58.1	-79.1	0	0	0	108.3	I549 T551 F552 L600 V601 E602 M614 L620 L624 T638	I549-F640 HydrophobicContact CB-CD2 3.91Å; I549-F640 HydrophobicContact CB-CE2 4.09Å; I549-F640 HydrophobicContact CD1-CB 4.07Å; I549-F640 HydrophobicContact CD1-CD2 3.62Å; I549-F640 HydrophobicContact CD1-CE2 4.28Å; I549-F640 HydrophobicContact CD1-CG 3.87Å; I549-F640 HydrophobicContact CG1-CD2 4.4Å; I549-F640 HydrophobicContact CG2-CD2 4.17Å; I549-F640 HydrophobicContact CG2-CE2 3.83Å; T551-F640 CarbonylContact C-O 3.54Å; T551-F640 VanDerWaalsContact CA-O 3.26Å; T551-F640 WeakPolarHBondContact CA-O 3.34Å; F552-F640 PolarHBondContact N-O 3.1Å; L600-F640 HydrophobicContact CD1-CB 4.12Å; L600-F640 HydrophobicContact CD2-CD1 4.34Å; L600-F640 HydrophobicContact CG-CB 4.37Å; V601-F640 CarbonylContact O-C 3.57Å; V601-F640 WeakPolarHBondContact O-CA 3.2Å; E602-F640 HydrophobicContact CB-CE1 4.34Å; E602-F640 HydrophobicContact CG-CE1 4.29Å; M614-F640 HydrophobicContact CE-CE1 4.36Å; M614-F640 HydrophobicContact SD-CD1 3.84Å; M614-F640 HydrophobicContact SD-CE1 4Å; L620-F640 HydrophobicContact CD1-CD1 3.96Å; L620-F640 HydrophobicContact CD1-CE1 3.38Å; L620-F640 HydrophobicContact CD1-CE2 4.36Å; L620-F640 HydrophobicContact CD1-CZ 3.62Å; L624-F640 HydrophobicContact CD2-CE2 4.31Å; L624-F640 HydrophobicContact CD2-CZ 4.3Å; T638-F640 HydrophobicContact CG2-CE1 4.36Å; T638-F640 HydrophobicContact CG2-CE2 4.26Å; T638-F640 HydrophobicContact CG2-CZ 3.87Å
641	Y	88.9	Confident	77.1	Confident	6 Å²	6	35 Å²	35	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.9	178.1	-72	-96.4	0	0	0	109.9	K102 L162 F552 L600 V601 T603 R639	K102-Y641 PolarHBondContact O-OH 3.22Å; K102-Y641 VanDerWaalsContact O-OH 3.05Å; L162-Y641 HydrophobicContact CD2-CD1 3.42Å; L162-Y641 VanDerWaalsContact CD2-CD1 3.42Å; L162-Y641 HydrophobicContact CD2-CD2 4.1Å; L162-Y641 HydrophobicContact CD2-CE1 3.79Å; L162-Y641 HydrophobicContact CD2-CE2 4.44Å; L162-Y641 HydrophobicContact CD2-CG 3.59Å; F552-Y641 HydrophobicContact CB-CD1 3.31Å; F552-Y641 HydrophobicContact CB-CD2 4.49Å; F552-Y641 HydrophobicContact CB-CE1 3.32Å; F552-Y641 HydrophobicContact CB-CE2 4.49Å; F552-Y641 HydrophobicContact CB-CG 3.95Å; F552-Y641 HydrophobicContact CD1-CE1 4.31Å; F552-Y641 HydrophobicContact CG-CD1 4.3Å; F552-Y641 AromaticContact CG-CE1 3.91Å; F552-Y641 HydrophobicContact CG-CE1 3.91Å; F552-Y641 WeakPolarHBondContact O-CA 3.46Å; L600-Y641 WeakPolarHBondContact CA-O 3.46Å; V601-Y641 PolarHBondContact N-O 3.07Å; V601-Y641 PolarHBondContact O-N 2.88Å; T603-Y641 HydrophobicContact CG2-CE2 4.31Å; T603-Y641 WeakPolarHBondContact OG1-CD2 3.17Å; R639-Y641 HydrophobicContact CB-CD2 4.24Å; R639-Y641 HydrophobicContact CB-CE2 3.7Å; R639-Y641 PolarHBondContact NH1-OH 2.84Å
642	L	91	Very high	76.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.7	166	-176.2	74.7	0	0	0	107.8	T551 F552 G554 L556 I581 A584 Q585 F588 F598	T551-L642 HydrophobicContact CG2-CB 4.16Å; F552-L642 PolarHBondContact O-N 3.26Å; G554-L642 WeakPolarHBondContact CA-O 3.37Å; G554-L642 PolarHBondContact N-O 3.34Å; L556-L642 HydrophobicContact CD1-CD2 4.11Å; I581-L642 HydrophobicContact CB-CD1 4.27Å; I581-L642 HydrophobicContact CG1-CD1 3.96Å; I581-L642 HydrophobicContact CG2-CD1 4.07Å; A584-L642 HydrophobicContact CB-CB 4.42Å; A584-L642 HydrophobicContact CB-CD1 4.32Å; A584-L642 HydrophobicContact CB-CD2 3.81Å; A584-L642 HydrophobicContact CB-CG 4.41Å; Q585-L642 HydrophobicContact CG-CD2 4.18Å; F588-L642 HydrophobicContact CD2-CD2 3.71Å; F588-L642 HydrophobicContact CE2-CB 4.11Å; F588-L642 HydrophobicContact CE2-CD2 4.06Å; F598-L642 HydrophobicContact CB-CD1 3.88Å; F598-L642 HydrophobicContact CB-CG 4.48Å; F598-L642 HydrophobicContact CD1-CD2 4.44Å; F598-L642 HydrophobicContact CD1-CG 4.28Å; F598-L642 HydrophobicContact CG-CD1 4.48Å
643	Q	82.4	Confident	75.9	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.1	179.3	-69.3	175.6	8.1	0	0	110.4	F598 Q599 V601	F598-Q643 VanDerWaalsContact CA-O 3.28Å; F598-Q643 WeakPolarHBondContact CA-O 3.29Å; Q599-Q643 HydrophobicContact CG-CB 4.44Å; Q599-Q643 PolarHBondContact N-O 3.27Å; Q599-Q643 PolarHBondContact O-N 2.94Å; V601-Q643 HydrophobicContact CG2-CG 4.47Å
644	P	79.5	Confident	75.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.3	165.6	28	-28.1	0	0	0	110.2	R397 G554 F559 R597 F598 E646	R397-P644 PolarHBondContact NH1-O 3.27Å; G554-P644 VanDerWaalsContact O-CD 3.27Å; G554-P644 WeakPolarHBondContact O-CD 3.44Å; F559-P644 HydrophobicContact CE2-CB 3.74Å; F559-P644 HydrophobicContact CE2-CG 3.97Å; F559-P644 HydrophobicContact CZ-CB 3.99Å; R597-P644 CarbonylContact O-C 3.52Å; R597-P644 VanDerWaalsContact O-CA 3.29Å; R597-P644 WeakPolarHBondContact O-CA 3.27Å; F598-P644 HydrophobicContact CD1-CB 4.32Å; F598-P644 HydrophobicContact CE1-CB 4.17Å; P644-E646 PolarHBondContact O-N 2.86Å
645	I	75.2	Confident	76	Confident	69 Å²	69	36 Å²	36	35%	0.354	19%	0.186	S	C	.	.			trans	-72.9	109.5	154.8	-60.8	164.9	0	0	0	104.6	G596 R597 F598 Q599 E647	G596-I645 WeakPolarHBondContact O-CD1 3.35Å; R597-I645 PolarHBondContact O-N 3.02Å; F598-I645 WeakPolarHBondContact O-CD1 3.01Å; Q599-I645 HydrophobicContact CB-CD1 4.12Å; Q599-I645 HydrophobicContact CB-CG1 3.85Å; Q599-I645 HydrophobicContact CG-CG1 3.96Å; I645-E647 PolarHBondContact O-N 2.87Å
646	E	58.9	Low	76.3	Confident	54 Å²	54	34.5 Å²	34.5	25%	0.252	18%	0.178	S	C	.	.			trans	-66.1	95.5	177.1	-73.4	174.6	-149.6	0	0	109.5	T161 R397 P644 S648 P651	T161-E646 WeakPolarHBondContact CG2-OE1 3.48Å; R397-E646 IonicContact CZ-OE1 3.91Å; R397-E646 IonicContact NE-OE1 3.14Å; R397-E646 IonicContact NH2-OE1 3.63Å; R397-E646 PolarHBondContact NH2-OE1 2.96Å; P644-E646 PolarHBondContact O-N 2.86Å; E646-S648 PolarHBondContact O-N 2.72Å; E646-P651 VanDerWaalsContact OE2-CD 3.23Å; E646-P651 WeakPolarHBondContact OE2-CD 3.34Å
647	E	46.1	Very low	76.7	Confident	118 Å²	118	30.2 Å²	30.2	55%	0.551	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.1	173.2	-86.3	-177.7	-177.9	0	0	112.4	R597 I645 K649	R597-E647 HydrophobicContact CG-CG 4.34Å; R597-E647 WeakPolarHBondContact CG-OE1 3.44Å; R597-E647 IonicContact CZ-OE1 2.55Å; R597-E647 IonicContact CZ-OE2 2.96Å; R597-E647 IonicContact NE-OE1 2.9Å; R597-E647 PolarHBondContact NE-OE1 3.5Å; R597-E647 IonicContact NE-OE2 2.66Å; R597-E647 PolarHBondContact NE-OE2 3.4Å; R597-E647 IonicContact NH2-OE1 3.07Å; R597-E647 IonicContact NH2-OE2 2.72Å; R597-E647 PolarHBondContact NH2-OE2 3.36Å; I645-E647 PolarHBondContact O-N 2.87Å; E647-K649 VanDerWaalsContact C-N 3.26Å; E647-K649 PolarHBondContact O-N 3.3Å
648	S	42.2	Very low	77	Confident	98 Å²	98	30.1 Å²	30.1	69%	0.685	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	52.1	-175.3	65.4	0	0	0	0	112.9	E646	E646-S648 PolarHBondContact O-N 2.72Å
649	K	41.3	Very low	77.2	Confident	149 Å²	149	33.2 Å²	33.2	65%	0.648	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	88.2	-169.7	-60.9	177.7	179.6	-178.2	0	109.4	E647 L701	E647-K649 VanDerWaalsContact C-N 3.26Å; E647-K649 PolarHBondContact O-N 3.3Å; K649-L701 HydrophobicContact CB-CD2 4.26Å; K649-L701 HydrophobicContact CD-CD1 4.06Å; K649-L701 HydrophobicContact CD-CD2 4.28Å; K649-L701 HydrophobicContact CG-CD1 4.31Å
650	G	48.3	Very low	77.5	Confident	16 Å²	16	33.2 Å²	33.2	17%	0.165	18%	0.179	C	C	.	.			trans	-42.3	167.6	-176.3	0	0	0	0	0	115.1	V652	G650-V652 PolarHBondContact O-N 2.87Å
651	P	57.9	Low	77.6	Confident	40 Å²	40	38 Å²	38	26%	0.26	20%	0.199	S	C	.	.	S	Bend	trans	-55.6	105.8	-161.8	25.6	-32	0	0	0	109.5	R397 E646 V653	R397-P651 HydrophobicContact CB-CG 4.32Å; R397-P651 HydrophobicContact CG-CG 4.14Å; E646-P651 VanDerWaalsContact OE2-CD 3.23Å; E646-P651 WeakPolarHBondContact OE2-CD 3.34Å; P651-V653 WeakPolarHBondContact O-CG2 3.02Å; P651-V653 PolarHBondContact O-N 3.2Å
652	V	76.4	Confident	77.8	Confident	27 Å²	27	44.2 Å²	44.2	16%	0.164	23%	0.226	C	C	.	.			trans	-52.8	116.7	-172	177.7	0	0	0	0	108.8	G650 T654 V699 L701	G650-V652 PolarHBondContact O-N 2.87Å; V652-T654 HydrophobicContact CG1-CG2 4.39Å; V652-V699 HydrophobicContact CG1-CB 4.45Å; V652-V699 HydrophobicContact CG1-CG1 3.04Å; V652-L701 HydrophobicContact CG1-CD2 4.43Å; V652-L701 HydrophobicContact CG2-CD2 3.85Å
653	V	86	Confident	77.7	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.3	178.8	-169.4	0	0	0	0	107.8	P396 T398 P651 L655 Y700 A703 A706	P396-V653 HydrophobicContact CB-CB 4.17Å; P396-V653 HydrophobicContact CB-CG1 4.05Å; P396-V653 HydrophobicContact CB-CG2 3.73Å; P396-V653 HydrophobicContact CG-CG1 4.02Å; T398-V653 HydrophobicContact CG2-CG1 4.04Å; T398-V653 HydrophobicContact CG2-CG2 4.3Å; P651-V653 WeakPolarHBondContact O-CG2 3.02Å; P651-V653 PolarHBondContact O-N 3.2Å; V653-L655 HydrophobicContact CG1-CD2 4.22Å; V653-Y700 PolarHBondContact N-O 2.98Å; V653-Y700 PolarHBondContact O-N 2.8Å; V653-A703 HydrophobicContact CG2-CB 4.31Å; V653-A706 HydrophobicContact CB-CB 3.76Å; V653-A706 HydrophobicContact CG1-CB 3.75Å; V653-A706 HydrophobicContact CG2-CB 4Å
654	T	91	Very high	78.3	Confident	9 Å²	9	48 Å²	48	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.8	177.7	52.6	0	0	0	0	109.9	V652 V697 L698 V699 L728	V652-T654 HydrophobicContact CG1-CG2 4.39Å; T654-V697 HydrophobicContact CG2-CG1 4.48Å; T654-L698 CarbonylContact C-O 3.58Å; T654-L698 WeakPolarHBondContact CA-O 3.43Å; T654-V699 HydrophobicContact CG2-CG2 4.27Å; T654-L728 PolarHBondContact O-N 3.33Å; T654-L728 PolarHBondContact OG1-O 3.32Å
655	L	93.9	Very high	79.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.6	176.3	-59.7	-172.9	0	0	0	109.4	V653 V697 L698 Y700 A709 Y710 V725 M726 I727	V653-L655 HydrophobicContact CG1-CD2 4.22Å; L655-V697 CarbonylContact O-C 3.55Å; L655-V697 WeakPolarHBondContact O-CA 3.41Å; L655-L698 HydrophobicContact CB-CB 4.36Å; L655-L698 PolarHBondContact N-O 3.18Å; L655-L698 PolarHBondContact O-N 2.85Å; L655-Y700 HydrophobicContact CD1-CD2 4.07Å; L655-Y700 HydrophobicContact CD1-CE2 3.62Å; L655-Y700 HydrophobicContact CG-CD2 4.17Å; L655-Y700 HydrophobicContact CG-CE2 4.09Å; L655-A709 HydrophobicContact CD1-CB 4.27Å; L655-Y710 HydrophobicContact CD2-CD2 4.31Å; L655-V725 HydrophobicContact CB-CG1 4.44Å; L655-V725 HydrophobicContact CD1-CG1 4.49Å; L655-M726 CarbonylContact C-O 3.49Å; L655-M726 WeakPolarHBondContact CA-O 3.48Å; L655-I727 HydrophobicContact CD2-CG1 3.57Å
656	F	95.2	Very high	80.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122	165.7	-177	-90.2	0	0	0	108.9	Y690 V697 L724 V725 M726 L728 L781 P782	F656-Y690 HydrophobicContact CE2-CD2 4.47Å; F656-Y690 HydrophobicContact CE2-CE2 4.49Å; F656-V697 HydrophobicContact CD2-CG2 4.01Å; F656-L724 HydrophobicContact CD1-CD2 4.24Å; F656-L724 HydrophobicContact CE1-CD2 3.92Å; F656-V725 VanDerWaalsContact O-CA 3.29Å; F656-V725 WeakPolarHBondContact O-CA 3.1Å; F656-M726 HydrophobicContact CB-CB 4.41Å; F656-M726 PolarHBondContact N-O 3.17Å; F656-M726 PolarHBondContact O-N 2.96Å; F656-L728 HydrophobicContact CB-CD1 3.97Å; F656-L728 HydrophobicContact CB-CD2 3.86Å; F656-L728 HydrophobicContact CB-CG 3.89Å; F656-L728 HydrophobicContact CD2-CD1 4.47Å; F656-L781 HydrophobicContact CE2-CB 3.98Å; F656-L781 HydrophobicContact CZ-CB 4.05Å; F656-L781 HydrophobicContact CZ-CD1 4.4Å; F656-P782 HydrophobicContact CD1-CG 3.95Å; F656-P782 HydrophobicContact CD2-CG 4.15Å; F656-P782 HydrophobicContact CE1-CG 3.87Å; F656-P782 HydrophobicContact CE2-CG 4.08Å; F656-P782 HydrophobicContact CG-CG 4.1Å; F656-P782 HydrophobicContact CZ-CG 3.94Å
657	V	96.6	Very high	81.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.7	176.2	-174.9	0	0	0	0	108.8	L660 L673 S695 L696 L698 L713 I723 L724 V725	V657-L660 HydrophobicContact CG1-CD1 4.29Å; V657-L673 HydrophobicContact CG1-CD2 3.95Å; V657-S695 CarbonylContact O-C 3.27Å; V657-S695 WeakPolarHBondContact O-CA 3.29Å; V657-S695 WeakPolarHBondContact O-CB 3.42Å; V657-L696 HydrophobicContact CB-CD2 4.04Å; V657-L696 HydrophobicContact CB-CG 4.5Å; V657-L696 HydrophobicContact CG1-CD2 4.34Å; V657-L696 PolarHBondContact N-O 3.08Å; V657-L696 PolarHBondContact O-N 2.9Å; V657-L698 HydrophobicContact CG2-CD1 3.79Å; V657-L698 HydrophobicContact CG2-CG 4.05Å; V657-L713 HydrophobicContact CG2-CD1 4Å; V657-I723 HydrophobicContact CG1-CG2 3.68Å; V657-L724 CarbonylContact C-O 3.53Å; V657-L724 VanDerWaalsContact CA-O 3.27Å; V657-L724 WeakPolarHBondContact CA-O 3.38Å; V657-V725 HydrophobicContact CG1-CG2 4.4Å; V657-V725 HydrophobicContact CG2-CG2 4.23Å
658	G	95.1	Very high	84.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-170.7	-178.8	0	0	0	0	0	113.1	L660 S695 L724	G658-L660 PolarHBondContact O-N 2.93Å; G658-S695 WeakPolarHBondContact CA-OG 3.33Å; G658-L724 PolarHBondContact N-O 2.94Å; G658-L724 PolarHBondContact O-N 3Å
659	N	93.4	Very high	87	Confident	85 Å²	85	50.8 Å²	50.8	46%	0.455	26%	0.262	S	S	.	.	S	Bend	trans	62.4	25.6	-168.8	-62.4	-11.2	0	0	0	113.9	P722 L724	N659-P722 PolarHBondContact ND2-O 3.38Å; N659-P722 VanDerWaalsContact ND2-O 3.12Å; N659-L724 HydrophobicContact CB-CB 4.36Å
660	L	95.3	Very high	89.6	Confident	12 Å²	12	46 Å²	46	6%	0.063	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-89.6	167.1	171	-51.5	176.6	0	0	0	110.1	V657 G658 Y669 L673 G694 L696 F718 I723	V657-L660 HydrophobicContact CG1-CD1 4.29Å; G658-L660 PolarHBondContact O-N 2.93Å; L660-Y669 HydrophobicContact CB-CD1 4.32Å; L660-Y669 HydrophobicContact CB-CE1 3.9Å; L660-Y669 HydrophobicContact CD1-CD1 3.74Å; L660-Y669 HydrophobicContact CD1-CE1 4.07Å; L660-L673 HydrophobicContact CD1-CD2 4.48Å; L660-G694 VanDerWaalsContact CB-O 3.31Å; L660-G694 WeakPolarHBondContact CB-O 2.95Å; L660-G694 PolarHBondContact N-O 3.31Å; L660-G694 VanDerWaalsContact N-O 3.11Å; L660-G694 WeakPolarHBondContact O-CA 3.37Å; L660-L696 HydrophobicContact CD1-CD2 3.59Å; L660-F718 HydrophobicContact CD2-CB 4.2Å; L660-F718 HydrophobicContact CD2-CD1 4.27Å; L660-F718 HydrophobicContact CD2-CG 4.13Å; L660-I723 HydrophobicContact CD2-CD1 4.32Å; L660-I723 HydrophobicContact CD2-CG1 4.27Å
661	K	94.2	Very high	91.9	Very high	105 Å²	105	52.5 Å²	52.5	46%	0.457	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-65.1	134.9	173.3	176.3	168.9	-175.8	171.1	0	110.5	L664 Y669 F718	K661-L664 HydrophobicContact CB-CD1 3.94Å; K661-L664 HydrophobicContact CB-CG 4.17Å; K661-L664 HydrophobicContact CD-CD2 4.13Å; K661-L664 HydrophobicContact CG-CD1 4.39Å; K661-L664 HydrophobicContact CG-CD2 4.17Å; K661-L664 HydrophobicContact CG-CG 4.14Å; K661-Y669 WeakPolarHBondContact O-CE1 3.16Å; K661-Y669 PolarHBondContact O-OH 2.99Å; K661-F718 HydrophobicContact CB-CE1 3.71Å; K661-F718 HydrophobicContact CB-CZ 4.18Å
662	K	93.1	Very high	93.7	Very high	137 Å²	137	51.5 Å²	51.5	60%	0.596	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	154.9	-179.1	-60.2	171	175.6	-177.5	0	111.4	L664 Y691 D692	K662-L664 PolarHBondContact O-N 3.44Å; K662-L664 VanDerWaalsContact O-N 3.14Å; K662-Y691 WeakPolarHBondContact CA-O 3.46Å; K662-D692 WeakPolarHBondContact CD-O 3.32Å; K662-D692 WeakPolarHBondContact CE-O 3.22Å; K662-D692 WeakPolarHBondContact CG-O 3.42Å
663	G	90.7	Very high	94.7	Very high	59 Å²	59	50.2 Å²	50.2	61%	0.608	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	7.7	170.9	0	0	0	0	0	115.8	Y691	G663-Y691 PolarHBondContact N-O 2.92Å
664	L	93.9	Very high	95.2	Very high	26 Å²	26	52.4 Å²	52.4	14%	0.136	26%	0.257	C	S	.	.			trans	-68.4	146.5	173.9	-61.9	-177.4	0	0	0	110.9	K661 K662 L668 Y669 I672 Y691	K661-L664 HydrophobicContact CB-CD1 3.94Å; K661-L664 HydrophobicContact CB-CG 4.17Å; K661-L664 HydrophobicContact CD-CD2 4.13Å; K661-L664 HydrophobicContact CG-CD1 4.39Å; K661-L664 HydrophobicContact CG-CD2 4.17Å; K661-L664 HydrophobicContact CG-CG 4.14Å; K662-L664 PolarHBondContact O-N 3.44Å; K662-L664 VanDerWaalsContact O-N 3.14Å; L664-L668 HydrophobicContact CB-CB 4.19Å; L664-L668 HydrophobicContact CD2-CD1 4.15Å; L664-Y669 HydrophobicContact CB-CD1 4.27Å; L664-Y669 HydrophobicContact CB-CD2 4.32Å; L664-Y669 HydrophobicContact CB-CE1 3.9Å; L664-Y669 HydrophobicContact CB-CE2 3.96Å; L664-Y669 HydrophobicContact CB-CG 4.46Å; L664-Y669 HydrophobicContact CD1-CD1 4.26Å; L664-Y669 HydrophobicContact CD1-CE1 4.04Å; L664-Y669 HydrophobicContact CG-CE1 4.31Å; L664-Y669 WeakPolarHBondContact O-CE2 3.44Å; L664-I672 HydrophobicContact CD1-CD1 3.55Å; L664-Y691 WeakPolarHBondContact O-CD1 3.41Å; L664-Y691 VanDerWaalsContact O-CE1 3.23Å; L664-Y691 WeakPolarHBondContact O-CE1 3.47Å
665	S	95.8	Very high	95.5	Very high	61 Å²	61	58 Å²	58	43%	0.427	28%	0.283	S	S	.	.			trans	-64.6	154	171.9	68.3	0	0	0	0	111	R667 L668 Y669	S665-R667 PolarHBondContact O-N 3.34Å; S665-L668 WeakPolarHBondContact O-CB 3.19Å; S665-L668 PolarHBondContact O-N 3.36Å; S665-L668 WeakPolarHBondContact OG-CG 3.18Å; S665-Y669 PolarHBondContact O-N 3.24Å; S665-Y669 VanDerWaalsContact O-N 3.15Å
666	Q	96.6	Very high	95.5	Very high	85 Å²	85	61.8 Å²	61.8	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-49.2	-47.4	175.7	174.9	172.4	-13.4	0	0	111.9	L668 Y669 E670 I686 I689	Q666-L668 PolarHBondContact O-N 2.94Å; Q666-Y669 WeakPolarHBondContact O-CB 3.21Å; Q666-Y669 PolarHBondContact O-N 2.92Å; Q666-Y669 VanDerWaalsContact O-N 3.08Å; Q666-E670 HydrophobicContact CG-CG 4.15Å; Q666-E670 WeakPolarHBondContact CG-OE1 3.4Å; Q666-E670 PolarHBondContact NE2-OE1 3.15Å; Q666-E670 WeakPolarHBondContact O-CG 3.36Å; Q666-E670 PolarHBondContact O-N 3.04Å; Q666-I686 HydrophobicContact CG-CD1 4.36Å; Q666-I689 HydrophobicContact CB-CD1 3.71Å; Q666-I689 HydrophobicContact CG-CD1 3.58Å
667	R	97	Very high	95.6	Very high	185 Å²	185	61.9 Å²	61.9	70%	0.698	30%	0.297	S	S	*	.	H	α-helix	trans	-56.6	-35.2	179.8	-173.8	177.2	179.5	130.1	-1.1	113.2	S665 R671	S665-R667 PolarHBondContact O-N 3.34Å; R667-R671 WeakPolarHBondContact O-CB 3.27Å; R667-R671 PolarHBondContact O-N 3.24Å
668	L	96.8	Very high	95.5	Very high	69 Å²	69	62.8 Å²	62.8	36%	0.361	31%	0.307	S	S	.	.	H	α-helix	trans	-73.4	-42.8	177	-69.2	173.5	0	0	0	111.4	L664 S665 Q666 E670 R671 I672	L664-L668 HydrophobicContact CB-CB 4.19Å; L664-L668 HydrophobicContact CD2-CD1 4.15Å; S665-L668 WeakPolarHBondContact O-CB 3.19Å; S665-L668 PolarHBondContact O-N 3.36Å; S665-L668 WeakPolarHBondContact OG-CG 3.18Å; Q666-L668 PolarHBondContact O-N 2.94Å; L668-E670 VanDerWaalsContact C-N 3.31Å; L668-E670 PolarHBondContact O-N 3.39Å; L668-R671 PolarHBondContact O-N 2.9Å; L668-I672 WeakPolarHBondContact O-CD1 3.4Å; L668-I672 VanDerWaalsContact O-CG1 3.26Å; L668-I672 WeakPolarHBondContact O-CG1 3.44Å; L668-I672 PolarHBondContact O-N 2.72Å
669	Y	97.6	Very high	95.5	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-45.3	171.7	-70.8	-56.3	0	0	0	111.6	L660 K661 L664 S665 Q666 R671 I672 L673 I689 Y691 G694	L660-Y669 HydrophobicContact CB-CD1 4.32Å; L660-Y669 HydrophobicContact CB-CE1 3.9Å; L660-Y669 HydrophobicContact CD1-CD1 3.74Å; L660-Y669 HydrophobicContact CD1-CE1 4.07Å; K661-Y669 WeakPolarHBondContact O-CE1 3.16Å; K661-Y669 PolarHBondContact O-OH 2.99Å; L664-Y669 HydrophobicContact CB-CD1 4.27Å; L664-Y669 HydrophobicContact CB-CD2 4.32Å; L664-Y669 HydrophobicContact CB-CE1 3.9Å; L664-Y669 HydrophobicContact CB-CE2 3.96Å; L664-Y669 HydrophobicContact CB-CG 4.46Å; L664-Y669 HydrophobicContact CD1-CD1 4.26Å; L664-Y669 HydrophobicContact CD1-CE1 4.04Å; L664-Y669 HydrophobicContact CG-CE1 4.31Å; L664-Y669 WeakPolarHBondContact O-CE2 3.44Å; S665-Y669 PolarHBondContact O-N 3.24Å; S665-Y669 VanDerWaalsContact O-N 3.15Å; Q666-Y669 WeakPolarHBondContact O-CB 3.21Å; Q666-Y669 PolarHBondContact O-N 2.92Å; Q666-Y669 VanDerWaalsContact O-N 3.08Å; Y669-R671 VanDerWaalsContact C-N 3.33Å; Y669-R671 PolarHBondContact O-N 3.4Å; Y669-I672 PolarHBondContact O-N 3.14Å; Y669-L673 VanDerWaalsContact O-CG 3.31Å; Y669-L673 WeakPolarHBondContact O-CG 3.4Å; Y669-L673 PolarHBondContact O-N 2.95Å; Y669-I689 HydrophobicContact CD2-CG2 3.95Å; Y669-I689 HydrophobicContact CE2-CG2 3.72Å; Y669-Y691 AromaticContact CE2-CD1 3.93Å; Y669-Y691 HydrophobicContact CE2-CD1 3.93Å; Y669-Y691 HydrophobicContact CE2-CE1 4.09Å; Y669-G694 WeakPolarHBondContact OH-CA 3.39Å
670	E	97.3	Very high	95.5	Very high	50 Å²	50	70.7 Å²	70.7	23%	0.234	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-43.1	178.2	-64.1	-170.2	-179.5	0	0	111.7	Q666 L668 L673 L674 W683 I686	Q666-E670 HydrophobicContact CG-CG 4.15Å; Q666-E670 WeakPolarHBondContact CG-OE1 3.4Å; Q666-E670 PolarHBondContact NE2-OE1 3.15Å; Q666-E670 WeakPolarHBondContact O-CG 3.36Å; Q666-E670 PolarHBondContact O-N 3.04Å; L668-E670 VanDerWaalsContact C-N 3.31Å; L668-E670 PolarHBondContact O-N 3.39Å; E670-L673 PolarHBondContact O-N 3Å; E670-L674 VanDerWaalsContact O-CB 3.31Å; E670-L674 WeakPolarHBondContact O-CB 3.48Å; E670-L674 VanDerWaalsContact O-CG 3.26Å; E670-L674 WeakPolarHBondContact O-CG 3.31Å; E670-L674 PolarHBondContact O-N 2.86Å; E670-W683 HydrophobicContact CB-CH2 4.12Å; E670-W683 HydrophobicContact CB-CZ2 3.9Å; E670-W683 HydrophobicContact CG-CH2 4.35Å; E670-W683 HydrophobicContact CG-CZ2 3.7Å; E670-I686 HydrophobicContact CG-CD1 3.89Å
671	R	96.5	Very high	95.4	Very high	151 Å²	151	70.5 Å²	70.5	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-60.4	-49.2	175.6	-178.4	-176.8	-70	172.6	-6.2	111.6	R667 L668 Y669 L673 L674 E675	R667-R671 WeakPolarHBondContact O-CB 3.27Å; R667-R671 PolarHBondContact O-N 3.24Å; L668-R671 PolarHBondContact O-N 2.9Å; Y669-R671 VanDerWaalsContact C-N 3.33Å; Y669-R671 PolarHBondContact O-N 3.4Å; R671-L673 VanDerWaalsContact C-N 3.3Å; R671-L673 PolarHBondContact O-N 3.23Å; R671-L674 PolarHBondContact O-N 3.07Å; R671-E675 WeakPolarHBondContact O-CB 3.49Å; R671-E675 PolarHBondContact O-N 3.32Å
672	I	95.5	Very high	95.5	Very high	20 Å²	20	69.2 Å²	69.2	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-43.6	179.5	-68.6	160.9	0	0	0	110.3	L664 L668 Y669 R676 F718	L664-I672 HydrophobicContact CD1-CD1 3.55Å; L668-I672 WeakPolarHBondContact O-CD1 3.4Å; L668-I672 VanDerWaalsContact O-CG1 3.26Å; L668-I672 WeakPolarHBondContact O-CG1 3.44Å; L668-I672 PolarHBondContact O-N 2.72Å; Y669-I672 PolarHBondContact O-N 3.14Å; I672-R676 VanDerWaalsContact O-CD 3.25Å; I672-R676 WeakPolarHBondContact O-CD 3.41Å; I672-F718 HydrophobicContact CB-CE2 4.49Å; I672-F718 HydrophobicContact CD1-CD2 4.44Å; I672-F718 HydrophobicContact CD1-CE2 3.54Å; I672-F718 HydrophobicContact CD1-CZ 3.81Å; I672-F718 HydrophobicContact CG1-CE2 3.86Å; I672-F718 HydrophobicContact CG2-CD2 3.59Å; I672-F718 HydrophobicContact CG2-CE2 3.77Å; I672-F718 HydrophobicContact CG2-CG 4.48Å
673	L	97.2	Very high	95.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-73.6	-40.4	-178.3	-65.9	173	0	0	0	112.5	V657 L660 Y669 E670 R671 E675 R676 L677 W683 L696 L698 L713	V657-L673 HydrophobicContact CG1-CD2 3.95Å; L660-L673 HydrophobicContact CD1-CD2 4.48Å; Y669-L673 VanDerWaalsContact O-CG 3.31Å; Y669-L673 WeakPolarHBondContact O-CG 3.4Å; Y669-L673 PolarHBondContact O-N 2.95Å; E670-L673 PolarHBondContact O-N 3Å; R671-L673 VanDerWaalsContact C-N 3.3Å; R671-L673 PolarHBondContact O-N 3.23Å; L673-E675 VanDerWaalsContact C-N 3.29Å; L673-E675 PolarHBondContact O-N 3.37Å; L673-R676 PolarHBondContact O-N 3.1Å; L673-R676 VanDerWaalsContact O-N 3.09Å; L673-L677 HydrophobicContact CB-CD1 4.4Å; L673-L677 WeakPolarHBondContact O-CB 3.43Å; L673-L677 WeakPolarHBondContact O-CG 3.35Å; L673-L677 PolarHBondContact O-N 3.21Å; L673-W683 HydrophobicContact CB-CE3 4.47Å; L673-W683 HydrophobicContact CB-CH2 3.71Å; L673-W683 HydrophobicContact CB-CZ3 3.41Å; L673-W683 VanDerWaalsContact CB-CZ3 3.41Å; L673-W683 HydrophobicContact CD1-CH2 4.16Å; L673-W683 HydrophobicContact CD1-CZ3 4Å; L673-W683 HydrophobicContact CG-CZ3 4.38Å; L673-L696 HydrophobicContact CD1-CD1 3.74Å; L673-L696 HydrophobicContact CD1-CD2 4.24Å; L673-L696 HydrophobicContact CD1-CG 4.37Å; L673-L698 HydrophobicContact CD1-CD1 4.1Å; L673-L698 HydrophobicContact CD1-CD2 4.04Å; L673-L713 HydrophobicContact CD2-CD2 3.88Å
674	L	97.1	Very high	95.8	Very high	47 Å²	47	63.3 Å²	63.3	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-33.4	177	-75.9	171.2	0	0	0	112.7	E670 R671 R676 G678 I679 K682 W683	E670-L674 VanDerWaalsContact O-CB 3.31Å; E670-L674 WeakPolarHBondContact O-CB 3.48Å; E670-L674 VanDerWaalsContact O-CG 3.26Å; E670-L674 WeakPolarHBondContact O-CG 3.31Å; E670-L674 PolarHBondContact O-N 2.86Å; R671-L674 PolarHBondContact O-N 3.07Å; L674-R676 PolarHBondContact O-N 2.78Å; L674-G678 WeakPolarHBondContact O-CA 3.48Å; L674-G678 PolarHBondContact O-N 2.69Å; L674-I679 HydrophobicContact CD2-CD1 4.37Å; L674-K682 HydrophobicContact CD2-CB 3.87Å; L674-K682 HydrophobicContact CD2-CD 3.96Å; L674-K682 HydrophobicContact CD2-CG 3.77Å; L674-W683 HydrophobicContact CD2-CH2 4.32Å; L674-W683 HydrophobicContact CD2-CZ3 4.38Å; L674-W683 HydrophobicContact CG-CH2 3.89Å; L674-W683 HydrophobicContact CG-CZ3 4.3Å
675	E	95.9	Very high	95.9	Very high	125 Å²	125	66.8 Å²	66.8	58%	0.584	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-28.1	174.1	-168.7	-166.5	147.5	0	0	112.2	R671 L673	R671-E675 WeakPolarHBondContact O-CB 3.49Å; R671-E675 PolarHBondContact O-N 3.32Å; L673-E675 VanDerWaalsContact C-N 3.29Å; L673-E675 PolarHBondContact O-N 3.37Å
676	R	95.1	Very high	95.9	Very high	80 Å²	80	65.4 Å²	65.4	30%	0.302	30%	0.299	S	S	.	.	H	α-helix	trans	-97.7	-34.5	-176.2	-78.7	46.4	166.4	123.6	-26.1	111.9	I672 L673 L674 L713 I723	I672-R676 VanDerWaalsContact O-CD 3.25Å; I672-R676 WeakPolarHBondContact O-CD 3.41Å; L673-R676 PolarHBondContact O-N 3.1Å; L673-R676 VanDerWaalsContact O-N 3.09Å; L674-R676 PolarHBondContact O-N 2.78Å; R676-L713 HydrophobicContact CB-CD2 4.18Å; R676-I723 HydrophobicContact CG-CD1 4.45Å
677	L	96.8	Very high	95.7	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-87	-31.4	-177.9	-71.3	174.9	0	0	0	113.2	L673 N681 W683 A709 L712 L713	L673-L677 HydrophobicContact CB-CD1 4.4Å; L673-L677 WeakPolarHBondContact O-CB 3.43Å; L673-L677 WeakPolarHBondContact O-CG 3.35Å; L673-L677 PolarHBondContact O-N 3.21Å; L677-N681 HydrophobicContact CB-CB 4.21Å; L677-N681 HydrophobicContact CD2-CB 4.38Å; L677-N681 WeakPolarHBondContact O-CB 2.93Å; L677-W683 HydrophobicContact CD1-CE3 3.84Å; L677-W683 HydrophobicContact CD1-CZ3 3.85Å; L677-A709 VanDerWaalsContact CD2-CA 3.47Å; L677-A709 HydrophobicContact CD2-CB 3.57Å; L677-L712 HydrophobicContact CD2-CB 4.17Å; L677-L712 HydrophobicContact CD2-CD1 4.4Å; L677-L713 HydrophobicContact CD1-CD1 4.27Å; L677-L713 HydrophobicContact CD1-CD2 4.48Å; L677-L713 HydrophobicContact CD2-CD1 3.98Å; L677-L713 HydrophobicContact CD2-CD2 4.09Å; L677-L713 HydrophobicContact CD2-CG 3.62Å; L677-L713 HydrophobicContact CG-CD1 4.38Å; L677-L713 HydrophobicContact CG-CD2 4.02Å; L677-L713 HydrophobicContact CG-CG 4.09Å
678	G	95	Very high	95.6	Very high	19 Å²	19	57.4 Å²	57.4	20%	0.196	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	170.7	-161.5	0	0	0	0	0	112.2	L674 E680	L674-G678 WeakPolarHBondContact O-CA 3.48Å; L674-G678 PolarHBondContact O-N 2.69Å; G678-E680 VanDerWaalsContact C-N 3.33Å; G678-E680 WeakPolarHBondContact CA-OE2 3.06Å
679	I	94.5	Very high	95.5	Very high	125 Å²	125	55.2 Å²	55.2	64%	0.641	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-28.2	-178.9	-170.3	58.7	0	0	0	111.7	L674 N681 K682	L674-I679 HydrophobicContact CD2-CD1 4.37Å; I679-N681 VanDerWaalsContact C-N 3.35Å; I679-K682 HydrophobicContact CD1-CB 4.44Å; I679-K682 HydrophobicContact CD1-CD 3.95Å; I679-K682 VanDerWaalsContact O-CB 3.29Å; I679-K682 WeakPolarHBondContact O-CB 3.31Å; I679-K682 PolarHBondContact O-N 3.49Å
680	E	93	Very high	95.4	Very high	126 Å²	126	55.9 Å²	55.9	59%	0.589	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.7	177.6	62.5	-78.9	-173.9	0	0	112.4	G678 R705	G678-E680 VanDerWaalsContact C-N 3.33Å; G678-E680 WeakPolarHBondContact CA-OE2 3.06Å; E680-R705 WeakPolarHBondContact O-CD 3.41Å
681	N	94.7	Very high	95.3	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.043	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	22.1	179.1	-68.5	-56.6	0	0	0	113	L677 I679 W683 Y700 R705 E708 A709 L712	L677-N681 HydrophobicContact CB-CB 4.21Å; L677-N681 HydrophobicContact CD2-CB 4.38Å; L677-N681 WeakPolarHBondContact O-CB 2.93Å; I679-N681 VanDerWaalsContact C-N 3.35Å; N681-W683 PolarHBondContact O-N 2.83Å; N681-Y700 PolarHBondContact O-OH 3.07Å; N681-Y700 VanDerWaalsContact O-OH 3.13Å; N681-R705 HydrophobicContact CB-CG 4.49Å; N681-E708 PolarHBondContact ND2-OE2 2.83Å; N681-E708 WeakPolarHBondContact OD1-CB 3.42Å; N681-E708 PolarHBondContact OD1-OE2 2.76Å; N681-A709 HydrophobicContact CB-CB 4.41Å; N681-L712 HydrophobicContact CB-CD1 4.33Å; N681-L712 WeakPolarHBondContact ND2-CD1 3.24Å
682	K	95.9	Very high	95	Very high	78 Å²	78	55 Å²	55	34%	0.339	27%	0.265	S	S	.	.			trans	-63.2	135.3	173.7	-175	-179.7	178.4	179	0	110.5	L674 I679 R705	L674-K682 HydrophobicContact CD2-CB 3.87Å; L674-K682 HydrophobicContact CD2-CD 3.96Å; L674-K682 HydrophobicContact CD2-CG 3.77Å; I679-K682 HydrophobicContact CD1-CB 4.44Å; I679-K682 HydrophobicContact CD1-CD 3.95Å; I679-K682 VanDerWaalsContact O-CB 3.29Å; I679-K682 WeakPolarHBondContact O-CB 3.31Å; I679-K682 PolarHBondContact O-N 3.49Å; K682-R705 PolarHBondContact O-NH1 2.92Å
683	W	95.4	Very high	95	Very high	11 Å²	11	55.7 Å²	55.7	4%	0.042	27%	0.267	C	S	.	.			trans	-60.1	157.1	171.1	57.9	85.8	0	0	0	112.2	E670 L673 L674 L677 N681 I686 L698 Y700	E670-W683 HydrophobicContact CB-CH2 4.12Å; E670-W683 HydrophobicContact CB-CZ2 3.9Å; E670-W683 HydrophobicContact CG-CH2 4.35Å; E670-W683 HydrophobicContact CG-CZ2 3.7Å; L673-W683 HydrophobicContact CB-CE3 4.47Å; L673-W683 HydrophobicContact CB-CH2 3.71Å; L673-W683 HydrophobicContact CB-CZ3 3.41Å; L673-W683 VanDerWaalsContact CB-CZ3 3.41Å; L673-W683 HydrophobicContact CD1-CH2 4.16Å; L673-W683 HydrophobicContact CD1-CZ3 4Å; L673-W683 HydrophobicContact CG-CZ3 4.38Å; L674-W683 HydrophobicContact CD2-CH2 4.32Å; L674-W683 HydrophobicContact CD2-CZ3 4.38Å; L674-W683 HydrophobicContact CG-CH2 3.89Å; L674-W683 HydrophobicContact CG-CZ3 4.3Å; L677-W683 HydrophobicContact CD1-CE3 3.84Å; L677-W683 HydrophobicContact CD1-CZ3 3.85Å; N681-W683 PolarHBondContact O-N 2.83Å; W683-I686 HydrophobicContact CZ2-CD1 4.29Å; W683-L698 HydrophobicContact CB-CB 4.05Å; W683-L698 HydrophobicContact CB-CD2 4.41Å; W683-L698 HydrophobicContact CD2-CD1 4.34Å; W683-L698 HydrophobicContact CD2-CD2 3.79Å; W683-L698 HydrophobicContact CE3-CD1 3.9Å; W683-L698 HydrophobicContact CE3-CD2 4.08Å; W683-L698 HydrophobicContact CG-CB 4.45Å; W683-L698 HydrophobicContact CG-CD2 3.93Å; W683-Y700 HydrophobicContact CB-CD2 4.48Å; W683-Y700 HydrophobicContact CB-CE1 4.17Å; W683-Y700 HydrophobicContact CB-CE2 3.91Å
684	D	94.6	Very high	94.8	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	27%	0.267	S	S	.	.	S	Bend	trans	-77.1	-42.2	177.6	-64.2	-66.3	0	0	0	111.7	V699 Y700 L701 R705	D684-V699 PolarHBondContact N-O 2.87Å; D684-Y700 WeakPolarHBondContact OD2-CA 3.49Å; D684-L701 HydrophobicContact CB-CD1 4.24Å; D684-L701 HydrophobicContact CB-CG 3.98Å; D684-L701 WeakPolarHBondContact OD2-CB 3.35Å; D684-L701 WeakPolarHBondContact OD2-CG 3.43Å; D684-L701 PolarHBondContact OD2-N 3.03Å; D684-R705 IonicContact OD1-CZ 3.75Å; D684-R705 IonicContact OD1-NH1 2.73Å; D684-R705 PolarHBondContact OD1-NH1 2.79Å; D684-R705 VanDerWaalsContact OD1-NH1 3.14Å; D684-R705 IonicContact OD1-NH2 3.39Å; D684-R705 PolarHBondContact OD1-NH2 3.27Å; D684-R705 IonicContact OD2-CZ 3.22Å; D684-R705 IonicContact OD2-NH1 3.71Å; D684-R705 IonicContact OD2-NH2 2.66Å; D684-R705 PolarHBondContact OD2-NH2 3.5Å
685	F	95.1	Very high	94.8	Very high	99 Å²	99	53.8 Å²	53.8	43%	0.434	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.9	171.2	57.7	-84.9	0	0	0	111.5	V699 L701	F685-V699 HydrophobicContact CD1-CB 4.18Å; F685-V699 HydrophobicContact CD1-CG1 4.25Å; F685-V699 HydrophobicContact CD2-CB 3.92Å; F685-V699 HydrophobicContact CD2-CG1 4.46Å; F685-V699 HydrophobicContact CD2-CG2 3.88Å; F685-V699 HydrophobicContact CE1-CB 3.96Å; F685-V699 HydrophobicContact CE1-CG1 3.58Å; F685-V699 HydrophobicContact CE2-CB 3.7Å; F685-V699 HydrophobicContact CE2-CG1 3.84Å; F685-V699 HydrophobicContact CE2-CG2 3.53Å; F685-V699 HydrophobicContact CG-CB 4.16Å; F685-V699 HydrophobicContact CZ-CB 3.74Å; F685-V699 HydrophobicContact CZ-CG1 3.36Å; F685-V699 HydrophobicContact CZ-CG2 3.98Å; F685-V699 WeakPolarHBondContact O-CB 3.39Å; F685-V699 PolarHBondContact O-N 2.78Å; F685-L701 HydrophobicContact CE1-CD2 4.22Å
686	I	96.1	Very high	94.8	Very high	31 Å²	31	47.8 Å²	47.8	16%	0.159	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.2	172.6	-55.8	178.1	0	0	0	107.3	Q666 E670 W683 I689 L696 L698	Q666-I686 HydrophobicContact CG-CD1 4.36Å; E670-I686 HydrophobicContact CG-CD1 3.89Å; W683-I686 HydrophobicContact CZ2-CD1 4.29Å; I686-I689 HydrophobicContact CD1-CD1 4.37Å; I686-I689 HydrophobicContact CG2-CD1 4.17Å; I686-I689 HydrophobicContact CG2-CG1 3.62Å; I686-L696 HydrophobicContact CD1-CD1 4.14Å; I686-L696 HydrophobicContact CG2-CB 4.45Å; I686-L696 HydrophobicContact CG2-CD1 4.22Å; I686-L698 HydrophobicContact CG1-CD2 4.01Å
687	E	93.3	Very high	94.9	Very high	72 Å²	72	44 Å²	44	34%	0.336	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-46.4	-179.9	-179.2	170.8	-164.6	0	0	111.7	V697 V699 H785 R788	E687-V697 HydrophobicContact CB-CB 4.25Å; E687-V697 HydrophobicContact CB-CG1 4.23Å; E687-V697 PolarHBondContact N-O 2.74Å; E687-V697 WeakPolarHBondContact OE2-CG1 3.41Å; E687-V699 HydrophobicContact CB-CG2 3.61Å; E687-H785 IonicContact OE2-CE1 3.99Å; E687-H785 IonicContact OE2-NE2 2.76Å; E687-R788 IonicContact OE1-CZ 3.54Å; E687-R788 IonicContact OE1-NH1 3.56Å; E687-R788 IonicContact OE1-NH2 2.75Å; E687-R788 PolarHBondContact OE1-NH2 2.85Å
688	V	94.3	Very high	94.9	Very high	31 Å²	31	43.9 Å²	43.9	19%	0.188	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	147.8	179	64.8	0	0	0	0	110.5	Y690 L696 V697	V688-Y690 HydrophobicContact CG1-CD2 4.38Å; V688-Y690 HydrophobicContact CG1-CE1 4.42Å; V688-Y690 HydrophobicContact CG1-CE2 3.67Å; V688-Y690 HydrophobicContact CG2-CD1 4.37Å; V688-Y690 HydrophobicContact CG2-CE1 3.97Å; V688-L696 CarbonylContact O-C 3.54Å; V688-L696 VanDerWaalsContact O-CA 3.31Å; V688-L696 WeakPolarHBondContact O-CA 3.5Å; V688-L696 WeakPolarHBondContact O-CB 3.3Å; V688-V697 HydrophobicContact CG1-CB 4.01Å; V688-V697 HydrophobicContact CG1-CG2 3.8Å; V688-V697 PolarHBondContact O-N 3.07Å
689	I	95.3	Very high	94.8	Very high	22 Å²	22	43 Å²	43	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122	172.1	-55.7	174.3	0	0	0	108.2	Q666 Y669 I686 Y691 L696	Q666-I689 HydrophobicContact CB-CD1 3.71Å; Q666-I689 HydrophobicContact CG-CD1 3.58Å; Y669-I689 HydrophobicContact CD2-CG2 3.95Å; Y669-I689 HydrophobicContact CE2-CG2 3.72Å; I686-I689 HydrophobicContact CD1-CD1 4.37Å; I686-I689 HydrophobicContact CG2-CD1 4.17Å; I686-I689 HydrophobicContact CG2-CG1 3.62Å; I689-Y691 HydrophobicContact CB-CD2 4.33Å; I689-Y691 HydrophobicContact CB-CE1 4.42Å; I689-Y691 HydrophobicContact CB-CE2 3.89Å; I689-Y691 HydrophobicContact CG2-CD1 3.84Å; I689-Y691 HydrophobicContact CG2-CD2 4.03Å; I689-Y691 HydrophobicContact CG2-CE1 3.69Å; I689-Y691 HydrophobicContact CG2-CE2 3.89Å; I689-Y691 HydrophobicContact CG2-CG 4.01Å; I689-Y691 PolarHBondContact O-N 2.95Å; I689-L696 HydrophobicContact CB-CB 4.4Å; I689-L696 HydrophobicContact CG1-CB 4.05Å; I689-L696 HydrophobicContact CG2-CB 4.4Å
690	Y	95.3	Very high	94.6	Very high	14 Å²	14	37.1 Å²	37.1	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	81.6	173.1	-59.6	-66.8	0	0	0	109.3	F656 V688 D692 F693 G694 S695 V697 L781 H785 V814	F656-Y690 HydrophobicContact CE2-CD2 4.47Å; F656-Y690 HydrophobicContact CE2-CE2 4.49Å; V688-Y690 HydrophobicContact CG1-CD2 4.38Å; V688-Y690 HydrophobicContact CG1-CE1 4.42Å; V688-Y690 HydrophobicContact CG1-CE2 3.67Å; V688-Y690 HydrophobicContact CG2-CD1 4.37Å; V688-Y690 HydrophobicContact CG2-CE1 3.97Å; Y690-D692 VanDerWaalsContact C-N 3.31Å; Y690-D692 PolarHBondContact O-N 3.19Å; Y690-F693 PolarHBondContact O-N 2.63Å; Y690-G694 PolarHBondContact O-N 3.14Å; Y690-S695 WeakPolarHBondContact CA-O 3.42Å; Y690-S695 PolarHBondContact N-O 3.12Å; Y690-S695 PolarHBondContact O-N 2.93Å; Y690-V697 HydrophobicContact CE2-CG2 4.39Å; Y690-L781 HydrophobicContact CD1-CD2 4.14Å; Y690-L781 HydrophobicContact CD2-CD1 4.17Å; Y690-L781 HydrophobicContact CD2-CD2 4.33Å; Y690-L781 HydrophobicContact CE1-CD2 4.26Å; Y690-L781 HydrophobicContact CE2-CD2 4.41Å; Y690-L781 HydrophobicContact CG-CD1 4.2Å; Y690-L781 HydrophobicContact CG-CD2 4.17Å; Y690-H785 AromaticContact CZ-ND1 3.92Å; Y690-H785 WeakPolarHBondContact OH-CB 3.36Å; Y690-H785 PolarHBondContact OH-ND1 3.49Å; Y690-V814 HydrophobicContact CE1-CG2 3.69Å
691	Y	94.3	Very high	94.2	Very high	92 Å²	92	33.4 Å²	33.4	36%	0.361	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-53.6	-43.4	-173.9	-68.2	-81.4	0	0	0	113.4	K662 G663 L664 Y669 I689 F693 G694	K662-Y691 WeakPolarHBondContact CA-O 3.46Å; G663-Y691 PolarHBondContact N-O 2.92Å; L664-Y691 WeakPolarHBondContact O-CD1 3.41Å; L664-Y691 VanDerWaalsContact O-CE1 3.23Å; L664-Y691 WeakPolarHBondContact O-CE1 3.47Å; Y669-Y691 AromaticContact CE2-CD1 3.93Å; Y669-Y691 HydrophobicContact CE2-CD1 3.93Å; Y669-Y691 HydrophobicContact CE2-CE1 4.09Å; I689-Y691 HydrophobicContact CB-CD2 4.33Å; I689-Y691 HydrophobicContact CB-CE1 4.42Å; I689-Y691 HydrophobicContact CB-CE2 3.89Å; I689-Y691 HydrophobicContact CG2-CD1 3.84Å; I689-Y691 HydrophobicContact CG2-CD2 4.03Å; I689-Y691 HydrophobicContact CG2-CE1 3.69Å; I689-Y691 HydrophobicContact CG2-CE2 3.89Å; I689-Y691 HydrophobicContact CG2-CG 4.01Å; I689-Y691 PolarHBondContact O-N 2.95Å; Y691-F693 PolarHBondContact O-N 3.06Å; Y691-F693 VanDerWaalsContact O-N 3.1Å; Y691-G694 PolarHBondContact O-N 3.37Å
692	D	91.6	Very high	93.5	Very high	92 Å²	92	36.4 Å²	36.4	49%	0.492	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-64.8	-15.7	-179.1	-60.6	-21.9	0	0	0	113.8	K662 Y690 N813	K662-D692 WeakPolarHBondContact CD-O 3.32Å; K662-D692 WeakPolarHBondContact CE-O 3.22Å; K662-D692 WeakPolarHBondContact CG-O 3.42Å; Y690-D692 VanDerWaalsContact C-N 3.31Å; Y690-D692 PolarHBondContact O-N 3.19Å; D692-N813 PolarHBondContact OD2-ND2 2.9Å; D692-N813 PolarHBondContact OD2-OD1 3.35Å
693	F	93.8	Very high	92.6	Very high	33 Å²	33	34 Å²	34	15%	0.145	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-119.7	2.5	-174.5	-58.9	-78.8	0	0	0	113.4	Y690 Y691 S695 L781 C810 N813	Y690-F693 PolarHBondContact O-N 2.63Å; Y691-F693 PolarHBondContact O-N 3.06Å; Y691-F693 VanDerWaalsContact O-N 3.1Å; F693-S695 PolarHBondContact O-N 3.48Å; F693-S695 PolarHBondContact O-OG 3.1Å; F693-L781 HydrophobicContact CB-CD1 3.5Å; F693-L781 HydrophobicContact CD1-CD1 4.21Å; F693-L781 HydrophobicContact CD2-CD1 3.66Å; F693-L781 HydrophobicContact CD2-CD2 4.23Å; F693-L781 HydrophobicContact CD2-CG 4.37Å; F693-L781 HydrophobicContact CE2-CD1 4.34Å; F693-L781 HydrophobicContact CE2-CD2 4.22Å; F693-L781 HydrophobicContact CG-CD1 3.54Å; F693-L781 HydrophobicContact CG-CG 4.47Å; F693-C810 VanDerWaalsContact CE1-SG 3.5Å; F693-C810 HydrophobicContact CZ-CB 4.24Å; F693-C810 WeakPolarHBondContact CZ-SG 3.34Å; F693-N813 HydrophobicContact CE2-CB 4.14Å; F693-N813 VanDerWaalsContact CE2-ND2 3.27Å; F693-N813 WeakPolarHBondContact CE2-ND2 3.26Å
694	G	94.6	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	41.9	-179.5	0	0	0	0	0	111.9	L660 Y669 Y690 Y691	L660-G694 VanDerWaalsContact CB-O 3.31Å; L660-G694 WeakPolarHBondContact CB-O 2.95Å; L660-G694 PolarHBondContact N-O 3.31Å; L660-G694 VanDerWaalsContact N-O 3.11Å; L660-G694 WeakPolarHBondContact O-CA 3.37Å; Y669-G694 WeakPolarHBondContact OH-CA 3.39Å; Y690-G694 PolarHBondContact O-N 3.14Å; Y691-G694 PolarHBondContact O-N 3.37Å
695	S	96.6	Very high	91.3	Very high	7 Å²	7	39.4 Å²	39.4	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150	-173	-58.7	0	0	0	0	111.2	V657 G658 Y690 F693	V657-S695 CarbonylContact O-C 3.27Å; V657-S695 WeakPolarHBondContact O-CA 3.29Å; V657-S695 WeakPolarHBondContact O-CB 3.42Å; G658-S695 WeakPolarHBondContact CA-OG 3.33Å; Y690-S695 WeakPolarHBondContact CA-O 3.42Å; Y690-S695 PolarHBondContact N-O 3.12Å; Y690-S695 PolarHBondContact O-N 2.93Å; F693-S695 PolarHBondContact O-N 3.48Å; F693-S695 PolarHBondContact O-OG 3.1Å
696	L	96.5	Very high	91	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161.6	179.9	65	167.5	0	0	0	111.5	V657 L660 L673 I686 V688 I689 L698	V657-L696 HydrophobicContact CB-CD2 4.04Å; V657-L696 HydrophobicContact CB-CG 4.5Å; V657-L696 HydrophobicContact CG1-CD2 4.34Å; V657-L696 PolarHBondContact N-O 3.08Å; V657-L696 PolarHBondContact O-N 2.9Å; L660-L696 HydrophobicContact CD1-CD2 3.59Å; L673-L696 HydrophobicContact CD1-CD1 3.74Å; L673-L696 HydrophobicContact CD1-CD2 4.24Å; L673-L696 HydrophobicContact CD1-CG 4.37Å; I686-L696 HydrophobicContact CD1-CD1 4.14Å; I686-L696 HydrophobicContact CG2-CB 4.45Å; I686-L696 HydrophobicContact CG2-CD1 4.22Å; V688-L696 CarbonylContact O-C 3.54Å; V688-L696 VanDerWaalsContact O-CA 3.31Å; V688-L696 WeakPolarHBondContact O-CA 3.5Å; V688-L696 WeakPolarHBondContact O-CB 3.3Å; I689-L696 HydrophobicContact CB-CB 4.4Å; I689-L696 HydrophobicContact CG1-CB 4.05Å; I689-L696 HydrophobicContact CG2-CB 4.4Å; L696-L698 HydrophobicContact CD1-CD2 3.74Å; L696-L698 HydrophobicContact CG-CD2 4.19Å
697	V	95.8	Very high	90.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.2	177.5	-176.7	0	0	0	0	109.4	T654 L655 F656 E687 V688 Y690 L728	T654-V697 HydrophobicContact CG2-CG1 4.48Å; L655-V697 CarbonylContact O-C 3.55Å; L655-V697 WeakPolarHBondContact O-CA 3.41Å; F656-V697 HydrophobicContact CD2-CG2 4.01Å; E687-V697 HydrophobicContact CB-CB 4.25Å; E687-V697 HydrophobicContact CB-CG1 4.23Å; E687-V697 PolarHBondContact N-O 2.74Å; E687-V697 WeakPolarHBondContact OE2-CG1 3.41Å; V688-V697 HydrophobicContact CG1-CB 4.01Å; V688-V697 HydrophobicContact CG1-CG2 3.8Å; V688-V697 PolarHBondContact O-N 3.07Å; Y690-V697 HydrophobicContact CE2-CG2 4.39Å; V697-L728 HydrophobicContact CG2-CD1 4.43Å
698	L	96.5	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.4	177	-55.3	-178.3	0	0	0	110.1	T654 L655 V657 L673 W683 I686 L696 Y700 L713	T654-L698 CarbonylContact C-O 3.58Å; T654-L698 WeakPolarHBondContact CA-O 3.43Å; L655-L698 HydrophobicContact CB-CB 4.36Å; L655-L698 PolarHBondContact N-O 3.18Å; L655-L698 PolarHBondContact O-N 2.85Å; V657-L698 HydrophobicContact CG2-CD1 3.79Å; V657-L698 HydrophobicContact CG2-CG 4.05Å; L673-L698 HydrophobicContact CD1-CD1 4.1Å; L673-L698 HydrophobicContact CD1-CD2 4.04Å; W683-L698 HydrophobicContact CB-CB 4.05Å; W683-L698 HydrophobicContact CB-CD2 4.41Å; W683-L698 HydrophobicContact CD2-CD1 4.34Å; W683-L698 HydrophobicContact CD2-CD2 3.79Å; W683-L698 HydrophobicContact CE3-CD1 3.9Å; W683-L698 HydrophobicContact CE3-CD2 4.08Å; W683-L698 HydrophobicContact CG-CB 4.45Å; W683-L698 HydrophobicContact CG-CD2 3.93Å; I686-L698 HydrophobicContact CG1-CD2 4.01Å; L696-L698 HydrophobicContact CD1-CD2 3.74Å; L696-L698 HydrophobicContact CG-CD2 4.19Å; L698-Y700 HydrophobicContact CB-CE2 3.9Å; L698-Y700 HydrophobicContact CD1-CE2 4.42Å; L698-L713 HydrophobicContact CD1-CD1 4.5Å
699	V	93.6	Very high	90.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.4	-179.3	-174.6	0	0	0	0	111.2	V652 T654 D684 F685 E687	V652-V699 HydrophobicContact CG1-CB 4.45Å; V652-V699 HydrophobicContact CG1-CG1 3.04Å; T654-V699 HydrophobicContact CG2-CG2 4.27Å; D684-V699 PolarHBondContact N-O 2.87Å; F685-V699 HydrophobicContact CD1-CB 4.18Å; F685-V699 HydrophobicContact CD1-CG1 4.25Å; F685-V699 HydrophobicContact CD2-CB 3.92Å; F685-V699 HydrophobicContact CD2-CG1 4.46Å; F685-V699 HydrophobicContact CD2-CG2 3.88Å; F685-V699 HydrophobicContact CE1-CB 3.96Å; F685-V699 HydrophobicContact CE1-CG1 3.58Å; F685-V699 HydrophobicContact CE2-CB 3.7Å; F685-V699 HydrophobicContact CE2-CG1 3.84Å; F685-V699 HydrophobicContact CE2-CG2 3.53Å; F685-V699 HydrophobicContact CG-CB 4.16Å; F685-V699 HydrophobicContact CZ-CB 3.74Å; F685-V699 HydrophobicContact CZ-CG1 3.36Å; F685-V699 HydrophobicContact CZ-CG2 3.98Å; F685-V699 WeakPolarHBondContact O-CB 3.39Å; F685-V699 PolarHBondContact O-N 2.78Å; E687-V699 HydrophobicContact CB-CG2 3.61Å
700	Y	90.8	Very high	90.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.5	174.2	-66.1	-99.5	0	0	0	110	V653 L655 N681 W683 D684 L698 R705 A706 A709	V653-Y700 PolarHBondContact N-O 2.98Å; V653-Y700 PolarHBondContact O-N 2.8Å; L655-Y700 HydrophobicContact CD1-CD2 4.07Å; L655-Y700 HydrophobicContact CD1-CE2 3.62Å; L655-Y700 HydrophobicContact CG-CD2 4.17Å; L655-Y700 HydrophobicContact CG-CE2 4.09Å; N681-Y700 PolarHBondContact O-OH 3.07Å; N681-Y700 VanDerWaalsContact O-OH 3.13Å; W683-Y700 HydrophobicContact CB-CD2 4.48Å; W683-Y700 HydrophobicContact CB-CE1 4.17Å; W683-Y700 HydrophobicContact CB-CE2 3.91Å; D684-Y700 WeakPolarHBondContact OD2-CA 3.49Å; L698-Y700 HydrophobicContact CB-CE2 3.9Å; L698-Y700 HydrophobicContact CD1-CE2 4.42Å; Y700-R705 HydrophobicContact CD1-CB 4.32Å; Y700-R705 HydrophobicContact CD1-CG 3.95Å; Y700-R705 HydrophobicContact CE1-CG 3.94Å; Y700-A706 HydrophobicContact CD1-CB 4.23Å; Y700-A706 HydrophobicContact CD2-CB 4.1Å; Y700-A706 HydrophobicContact CG-CB 3.73Å; Y700-A709 HydrophobicContact CE1-CB 3.92Å; Y700-A709 HydrophobicContact CE2-CB 4.31Å; Y700-A709 VanDerWaalsContact OH-CB 3.27Å; Y700-A709 WeakPolarHBondContact OH-CB 3.33Å
701	L	85.1	Confident	90	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.257	18%	0.177	S	C	.	.	S	Bend	trans	-84.3	-18.3	171.4	-55.5	-177.4	0	0	0	111.4	K649 V652 D684 F685	K649-L701 HydrophobicContact CB-CD2 4.26Å; K649-L701 HydrophobicContact CD-CD1 4.06Å; K649-L701 HydrophobicContact CD-CD2 4.28Å; K649-L701 HydrophobicContact CG-CD1 4.31Å; V652-L701 HydrophobicContact CG1-CD2 4.43Å; V652-L701 HydrophobicContact CG2-CD2 3.85Å; D684-L701 HydrophobicContact CB-CD1 4.24Å; D684-L701 HydrophobicContact CB-CG 3.98Å; D684-L701 WeakPolarHBondContact OD2-CB 3.35Å; D684-L701 WeakPolarHBondContact OD2-CG 3.43Å; D684-L701 PolarHBondContact OD2-N 3.03Å; F685-L701 HydrophobicContact CE1-CD2 4.22Å
702	N	79.6	Confident	90.1	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.374	18%	0.176	S	C	.	.	S	Bend	trans	-110	121.7	175.2	-180	-49.9	0	0	0	109.2	E704 R705 A706	N702-E704 WeakPolarHBondContact OD1-CB 3.1Å; N702-E704 PolarHBondContact OD1-N 2.88Å; N702-R705 HydrophobicContact CB-CB 4.27Å; N702-R705 PolarHBondContact OD1-N 2.83Å; N702-R705 VanDerWaalsContact OD1-N 3.07Å; N702-A706 PolarHBondContact O-N 3.32Å
703	A	76.7	Confident	90.2	Very high	29 Å²	29	30.9 Å²	30.9	24%	0.24	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-40.5	-178	0	0	0	0	0	114.2	R397 V653 R705 A706 D707	R397-A703 WeakPolarHBondContact O-CB 3.18Å; V653-A703 HydrophobicContact CG2-CB 4.31Å; A703-R705 PolarHBondContact O-N 3.11Å; A703-A706 WeakPolarHBondContact O-CA 3.44Å; A703-A706 VanDerWaalsContact O-CB 3.31Å; A703-A706 WeakPolarHBondContact O-CB 3.22Å; A703-A706 PolarHBondContact O-N 3.38Å; A703-A706 VanDerWaalsContact O-N 3.1Å; A703-D707 PolarHBondContact O-N 2.8Å
704	E	77.4	Confident	90.1	Very high	128 Å²	128	33.8 Å²	33.8	60%	0.598	17%	0.165	S	C	*	.	H	α-helix	trans	-63.5	-44.9	-178.7	-61.9	176.3	167.1	0	0	110.6	N702 A706 D707 E708	N702-E704 WeakPolarHBondContact OD1-CB 3.1Å; N702-E704 PolarHBondContact OD1-N 2.88Å; E704-A706 VanDerWaalsContact C-N 3.26Å; E704-A706 PolarHBondContact O-N 2.81Å; E704-D707 WeakPolarHBondContact O-CB 3.4Å; E704-D707 PolarHBondContact O-N 3.16Å; E704-D707 VanDerWaalsContact O-N 3.14Å; E704-E708 PolarHBondContact O-N 3.26Å
705	R	85.5	Confident	89.9	Confident	58 Å²	58	41.7 Å²	41.7	22%	0.219	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-34.7	173.8	-173.7	174.9	38.3	156	-8	112.1	E680 N681 K682 D684 Y700 N702 A703 D707 A709	E680-R705 WeakPolarHBondContact O-CD 3.41Å; N681-R705 HydrophobicContact CB-CG 4.49Å; K682-R705 PolarHBondContact O-NH1 2.92Å; D684-R705 IonicContact OD1-CZ 3.75Å; D684-R705 IonicContact OD1-NH1 2.73Å; D684-R705 PolarHBondContact OD1-NH1 2.79Å; D684-R705 VanDerWaalsContact OD1-NH1 3.14Å; D684-R705 IonicContact OD1-NH2 3.39Å; D684-R705 PolarHBondContact OD1-NH2 3.27Å; D684-R705 IonicContact OD2-CZ 3.22Å; D684-R705 IonicContact OD2-NH1 3.71Å; D684-R705 IonicContact OD2-NH2 2.66Å; D684-R705 PolarHBondContact OD2-NH2 3.5Å; Y700-R705 HydrophobicContact CD1-CB 4.32Å; Y700-R705 HydrophobicContact CD1-CG 3.95Å; Y700-R705 HydrophobicContact CE1-CG 3.94Å; N702-R705 HydrophobicContact CB-CB 4.27Å; N702-R705 PolarHBondContact OD1-N 2.83Å; N702-R705 VanDerWaalsContact OD1-N 3.07Å; A703-R705 PolarHBondContact O-N 3.11Å; R705-D707 VanDerWaalsContact C-N 3.35Å; R705-A709 WeakPolarHBondContact O-CB 3.47Å; R705-A709 PolarHBondContact O-N 3.35Å
706	A	88.4	Confident	89.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-37.9	175.1	0	0	0	0	0	111.9	V653 Y700 N702 A703 E704 Y710	V653-A706 HydrophobicContact CB-CB 3.76Å; V653-A706 HydrophobicContact CG1-CB 3.75Å; V653-A706 HydrophobicContact CG2-CB 4Å; Y700-A706 HydrophobicContact CD1-CB 4.23Å; Y700-A706 HydrophobicContact CD2-CB 4.1Å; Y700-A706 HydrophobicContact CG-CB 3.73Å; N702-A706 PolarHBondContact O-N 3.32Å; A703-A706 WeakPolarHBondContact O-CA 3.44Å; A703-A706 VanDerWaalsContact O-CB 3.31Å; A703-A706 WeakPolarHBondContact O-CB 3.22Å; A703-A706 PolarHBondContact O-N 3.38Å; A703-A706 VanDerWaalsContact O-N 3.1Å; E704-A706 VanDerWaalsContact C-N 3.26Å; E704-A706 PolarHBondContact O-N 2.81Å; A706-Y710 VanDerWaalsContact O-CB 3.3Å; A706-Y710 WeakPolarHBondContact O-CB 3.27Å; A706-Y710 PolarHBondContact O-N 3.48Å
707	D	85.5	Confident	89.7	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-47.3	176.8	-71.4	-11.7	0	0	0	111.8	T398 S399 L400 A703 E704 R705 Y710 H711	T398-D707 WeakPolarHBondContact CA-OD1 3.18Å; T398-D707 WeakPolarHBondContact CB-OD1 3.18Å; T398-D707 WeakPolarHBondContact CG2-OD1 3.33Å; S399-D707 VanDerWaalsContact CB-OD2 3.31Å; S399-D707 WeakPolarHBondContact CB-OD2 3.5Å; S399-D707 PolarHBondContact N-OD2 3.36Å; S399-D707 PolarHBondContact OG-OD2 3.45Å; L400-D707 WeakPolarHBondContact CD1-OD1 3.2Å; A703-D707 PolarHBondContact O-N 2.8Å; E704-D707 WeakPolarHBondContact O-CB 3.4Å; E704-D707 PolarHBondContact O-N 3.16Å; E704-D707 VanDerWaalsContact O-N 3.14Å; R705-D707 VanDerWaalsContact C-N 3.35Å; D707-Y710 WeakPolarHBondContact O-CB 3.3Å; D707-Y710 PolarHBondContact O-N 3.15Å; D707-H711 PolarHBondContact O-CD2 3.27Å; D707-H711 PolarHBondContact O-N 3.02Å
708	E	90.5	Very high	89.5	Confident	109 Å²	109	47.3 Å²	47.3	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-48.6	174.5	-71.7	-173.2	-165.5	0	0	110.9	N681 E704 Y710 H711 L712	N681-E708 PolarHBondContact ND2-OE2 2.83Å; N681-E708 WeakPolarHBondContact OD1-CB 3.42Å; N681-E708 PolarHBondContact OD1-OE2 2.76Å; E704-E708 PolarHBondContact O-N 3.26Å; E708-Y710 VanDerWaalsContact C-N 3.32Å; E708-Y710 PolarHBondContact O-N 3.3Å; E708-H711 PolarHBondContact O-N 3.22Å; E708-L712 WeakPolarHBondContact O-CG 3.29Å; E708-L712 PolarHBondContact O-N 2.97Å
709	A	94	Very high	89.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-41.4	177	0	0	0	0	0	112.8	L655 L677 N681 Y700 R705 L713	L655-A709 HydrophobicContact CD1-CB 4.27Å; L677-A709 VanDerWaalsContact CD2-CA 3.47Å; L677-A709 HydrophobicContact CD2-CB 3.57Å; N681-A709 HydrophobicContact CB-CB 4.41Å; Y700-A709 HydrophobicContact CE1-CB 3.92Å; Y700-A709 HydrophobicContact CE2-CB 4.31Å; Y700-A709 VanDerWaalsContact OH-CB 3.27Å; Y700-A709 WeakPolarHBondContact OH-CB 3.33Å; R705-A709 WeakPolarHBondContact O-CB 3.47Å; R705-A709 PolarHBondContact O-N 3.35Å; A709-L713 WeakPolarHBondContact O-CB 3.31Å; A709-L713 WeakPolarHBondContact O-CG 3.4Å; A709-L713 PolarHBondContact O-N 3.46Å
710	Y	92.1	Very high	89	Confident	8 Å²	8	59.8 Å²	59.8	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-48	175.5	176.3	-87.7	0	0	0	111.2	L400 L655 A706 D707 E708 K714 V725 I727	L400-Y710 HydrophobicContact CD1-CD1 3.61Å; L400-Y710 HydrophobicContact CD1-CD2 4.14Å; L400-Y710 HydrophobicContact CD1-CE1 4.23Å; L400-Y710 HydrophobicContact CD1-CG 3.59Å; L400-Y710 HydrophobicContact CD2-CD1 3.55Å; L400-Y710 HydrophobicContact CD2-CE1 3.89Å; L400-Y710 HydrophobicContact CD2-CG 4.37Å; L400-Y710 HydrophobicContact CG-CD1 4.26Å; L655-Y710 HydrophobicContact CD2-CD2 4.31Å; A706-Y710 VanDerWaalsContact O-CB 3.3Å; A706-Y710 WeakPolarHBondContact O-CB 3.27Å; A706-Y710 PolarHBondContact O-N 3.48Å; D707-Y710 WeakPolarHBondContact O-CB 3.3Å; D707-Y710 PolarHBondContact O-N 3.15Å; E708-Y710 VanDerWaalsContact C-N 3.32Å; E708-Y710 PolarHBondContact O-N 3.3Å; Y710-K714 WeakPolarHBondContact O-CB 3.29Å; Y710-K714 PolarHBondContact O-N 3.07Å; Y710-V725 HydrophobicContact CD2-CB 4.37Å; Y710-V725 HydrophobicContact CD2-CG1 3.53Å; Y710-V725 HydrophobicContact CE2-CB 4.42Å; Y710-V725 HydrophobicContact CE2-CG1 3.96Å; Y710-V725 HydrophobicContact CG-CG1 4.39Å; Y710-I727 HydrophobicContact CD2-CG1 4.26Å
711	H	91.3	Very high	88.9	Confident	81 Å²	81	65.4 Å²	65.4	38%	0.375	32%	0.32	S	S	.	.	H	α-helix	trans	-65.5	-44.4	-179.4	-75.8	-39.2	0	0	0	112.9	L400 D707 E708 K714 Q715	L400-H711 WeakPolarHBondContact CD2-CE1 3.31Å; L400-H711 WeakPolarHBondContact CD2-NE2 3.5Å; D707-H711 PolarHBondContact O-CD2 3.27Å; D707-H711 PolarHBondContact O-N 3.02Å; E708-H711 PolarHBondContact O-N 3.22Å; H711-K714 PolarHBondContact O-N 2.79Å; H711-Q715 WeakPolarHBondContact O-CG 3.44Å; H711-Q715 PolarHBondContact O-N 2.71Å
712	L	95.6	Very high	89.2	Confident	63 Å²	63	67 Å²	67	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-60	-50.1	177.8	-71.4	172.3	0	0	0	111.5	L677 N681 E708 Q715 S716	L677-L712 HydrophobicContact CD2-CB 4.17Å; L677-L712 HydrophobicContact CD2-CD1 4.4Å; N681-L712 HydrophobicContact CB-CD1 4.33Å; N681-L712 WeakPolarHBondContact ND2-CD1 3.24Å; E708-L712 WeakPolarHBondContact O-CG 3.29Å; E708-L712 PolarHBondContact O-N 2.97Å; L712-Q715 PolarHBondContact O-N 3.01Å; L712-S716 WeakPolarHBondContact O-CB 3.2Å; L712-S716 PolarHBondContact O-N 3.29Å; L712-S716 PolarHBondContact O-OG 3.34Å
713	L	95.3	Very high	89.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-37.1	-179.8	-68.5	170.9	0	0	0	112.5	V657 L673 R676 L677 L698 A709 Q715 S716 I723 V725	V657-L713 HydrophobicContact CG2-CD1 4Å; L673-L713 HydrophobicContact CD2-CD2 3.88Å; R676-L713 HydrophobicContact CB-CD2 4.18Å; L677-L713 HydrophobicContact CD1-CD1 4.27Å; L677-L713 HydrophobicContact CD1-CD2 4.48Å; L677-L713 HydrophobicContact CD2-CD1 3.98Å; L677-L713 HydrophobicContact CD2-CD2 4.09Å; L677-L713 HydrophobicContact CD2-CG 3.62Å; L677-L713 HydrophobicContact CG-CD1 4.38Å; L677-L713 HydrophobicContact CG-CD2 4.02Å; L677-L713 HydrophobicContact CG-CG 4.09Å; L698-L713 HydrophobicContact CD1-CD1 4.5Å; A709-L713 WeakPolarHBondContact O-CB 3.31Å; A709-L713 WeakPolarHBondContact O-CG 3.4Å; A709-L713 PolarHBondContact O-N 3.46Å; L713-Q715 PolarHBondContact O-N 2.85Å; L713-S716 WeakPolarHBondContact O-CB 3.29Å; L713-S716 PolarHBondContact O-N 3.35Å; L713-I723 HydrophobicContact CD2-CD1 4.39Å; L713-V725 HydrophobicContact CB-CB 4.46Å; L713-V725 HydrophobicContact CB-CG2 3.36Å; L713-V725 HydrophobicContact CD1-CG2 3.92Å; L713-V725 HydrophobicContact CG-CG2 4.26Å
714	K	91.3	Very high	90.7	Very high	93 Å²	93	63 Å²	63	40%	0.404	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-29.2	179.1	-173.9	61.8	173.9	-175.8	0	112.7	Y710 H711	Y710-K714 WeakPolarHBondContact O-CB 3.29Å; Y710-K714 PolarHBondContact O-N 3.07Å; H711-K714 PolarHBondContact O-N 2.79Å
715	Q	90.7	Very high	91.4	Very high	166 Å²	166	57 Å²	57	78%	0.776	28%	0.279	S	S	*	.	H	α-helix	trans	-91	-6.9	176	-65.4	177.5	0.9	0	0	113	H711 L712 L713	H711-Q715 WeakPolarHBondContact O-CG 3.44Å; H711-Q715 PolarHBondContact O-N 2.71Å; L712-Q715 PolarHBondContact O-N 3.01Å; L713-Q715 PolarHBondContact O-N 2.85Å
716	S	94.9	Very high	91.6	Very high	24 Å²	24	55 Å²	55	17%	0.168	27%	0.273	C	S	.	.			trans	-89.1	154.2	-178.7	-65.5	0	0	0	0	112.5	L712 L713 I723	L712-S716 WeakPolarHBondContact O-CB 3.2Å; L712-S716 PolarHBondContact O-N 3.29Å; L712-S716 PolarHBondContact O-OG 3.34Å; L713-S716 WeakPolarHBondContact O-CB 3.29Å; L713-S716 PolarHBondContact O-N 3.35Å; S716-I723 PolarHBondContact O-N 3.49Å
717	T	93.5	Very high	91.6	Very high	76 Å²	76	55 Å²	55	47%	0.466	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	159.4	171.9	59.4	0	0	0	0	110.6	R721	T717-R721 CarbonylContact C-O 3.41Å; T717-R721 WeakPolarHBondContact CA-O 3.47Å; T717-R721 WeakPolarHBondContact CB-O 3.28Å
718	F	92	Very high	91.8	Very high	25 Å²	25	54.6 Å²	54.6	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	123.9	172.4	179.2	-97.9	0	0	0	108	L660 K661 I672 D720 R721 I723	L660-F718 HydrophobicContact CD2-CB 4.2Å; L660-F718 HydrophobicContact CD2-CD1 4.27Å; L660-F718 HydrophobicContact CD2-CG 4.13Å; K661-F718 HydrophobicContact CB-CE1 3.71Å; K661-F718 HydrophobicContact CB-CZ 4.18Å; I672-F718 HydrophobicContact CB-CE2 4.49Å; I672-F718 HydrophobicContact CD1-CD2 4.44Å; I672-F718 HydrophobicContact CD1-CE2 3.54Å; I672-F718 HydrophobicContact CD1-CZ 3.81Å; I672-F718 HydrophobicContact CG1-CE2 3.86Å; I672-F718 HydrophobicContact CG2-CD2 3.59Å; I672-F718 HydrophobicContact CG2-CE2 3.77Å; I672-F718 HydrophobicContact CG2-CG 4.48Å; F718-D720 VanDerWaalsContact C-N 3.3Å; F718-D720 PolarHBondContact O-N 3.1Å; F718-R721 PolarHBondContact N-O 2.93Å; F718-R721 WeakPolarHBondContact O-CB 3.28Å; F718-R721 PolarHBondContact O-N 3.01Å; F718-I723 HydrophobicContact CB-CD1 4.21Å; F718-I723 HydrophobicContact CB-CG1 3.95Å
719	E	89.5	Confident	91.7	Very high	105 Å²	105	49.8 Å²	49.8	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	48.8	-172.9	-62.9	177.6	168.4	0	0	112.2	R721	E719-R721 PolarHBondContact O-N 3.47Å
720	D	88.4	Confident	91.4	Very high	158 Å²	158	55.5 Å²	55.5	85%	0.845	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	8.4	-176.6	-58.6	-44.9	0	0	0	116.1	F718	F718-D720 VanDerWaalsContact C-N 3.3Å; F718-D720 PolarHBondContact O-N 3.1Å
721	R	88.7	Confident	91.3	Very high	119 Å²	119	56.2 Å²	56.2	45%	0.449	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.5	177	-62.7	172.3	-175.1	171.3	1.7	110	T717 F718 E719 I723 E1239	T717-R721 CarbonylContact C-O 3.41Å; T717-R721 WeakPolarHBondContact CA-O 3.47Å; T717-R721 WeakPolarHBondContact CB-O 3.28Å; F718-R721 PolarHBondContact N-O 2.93Å; F718-R721 WeakPolarHBondContact O-CB 3.28Å; F718-R721 PolarHBondContact O-N 3.01Å; E719-R721 PolarHBondContact O-N 3.47Å; R721-I723 PolarHBondContact O-N 3.23Å; R721-E1239 IonicContact NH2-OE1 3.16Å; R721-E1239 PolarHBondContact NH2-OE1 3.33Å
722	P	92.4	Very high	91.2	Very high	83 Å²	83	56.2 Å²	56.2	54%	0.539	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.9	176.9	26.7	-33.7	0	0	0	110.5	N659 L724	N659-P722 PolarHBondContact ND2-O 3.38Å; N659-P722 VanDerWaalsContact ND2-O 3.12Å; P722-L724 PolarHBondContact O-N 3.3Å
723	I	94.5	Very high	91	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.1	128.5	173.8	-62.8	-179	0	0	0	107.8	V657 L660 R676 L713 S716 F718 R721 V725	V657-I723 HydrophobicContact CG1-CG2 3.68Å; L660-I723 HydrophobicContact CD2-CD1 4.32Å; L660-I723 HydrophobicContact CD2-CG1 4.27Å; R676-I723 HydrophobicContact CG-CD1 4.45Å; L713-I723 HydrophobicContact CD2-CD1 4.39Å; S716-I723 PolarHBondContact O-N 3.49Å; F718-I723 HydrophobicContact CB-CD1 4.21Å; F718-I723 HydrophobicContact CB-CG1 3.95Å; R721-I723 PolarHBondContact O-N 3.23Å; I723-V725 HydrophobicContact CG2-CG2 3.96Å
724	L	92.9	Very high	90.6	Very high	11 Å²	11	61.1 Å²	61.1	6%	0.058	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.1	174.5	174.9	75	0	0	0	108.6	F656 V657 G658 N659 P722 M726 Y777	F656-L724 HydrophobicContact CD1-CD2 4.24Å; F656-L724 HydrophobicContact CE1-CD2 3.92Å; V657-L724 CarbonylContact C-O 3.53Å; V657-L724 VanDerWaalsContact CA-O 3.27Å; V657-L724 WeakPolarHBondContact CA-O 3.38Å; G658-L724 PolarHBondContact N-O 2.94Å; G658-L724 PolarHBondContact O-N 3Å; N659-L724 HydrophobicContact CB-CB 4.36Å; P722-L724 PolarHBondContact O-N 3.3Å; L724-M726 HydrophobicContact CD1-CG 4.34Å; L724-Y777 HydrophobicContact CD1-CD1 4.22Å
725	V	93.4	Very high	90.5	Very high	1 Å²	1	61 Å²	61	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.3	170.1	-176.3	0	0	0	0	111.4	L655 F656 V657 Y710 L713 I723	L655-V725 HydrophobicContact CB-CG1 4.44Å; L655-V725 HydrophobicContact CD1-CG1 4.49Å; F656-V725 VanDerWaalsContact O-CA 3.29Å; F656-V725 WeakPolarHBondContact O-CA 3.1Å; V657-V725 HydrophobicContact CG1-CG2 4.4Å; V657-V725 HydrophobicContact CG2-CG2 4.23Å; Y710-V725 HydrophobicContact CD2-CB 4.37Å; Y710-V725 HydrophobicContact CD2-CG1 3.53Å; Y710-V725 HydrophobicContact CE2-CB 4.42Å; Y710-V725 HydrophobicContact CE2-CG1 3.96Å; Y710-V725 HydrophobicContact CG-CG1 4.39Å; L713-V725 HydrophobicContact CB-CB 4.46Å; L713-V725 HydrophobicContact CB-CG2 3.36Å; L713-V725 HydrophobicContact CD1-CG2 3.92Å; L713-V725 HydrophobicContact CG-CG2 4.26Å; I723-V725 HydrophobicContact CG2-CG2 3.96Å
726	M	89.9	Confident	90.5	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.1	175.9	-59.5	-178.7	70.3	0	0	111.2	L655 F656 L724 Y777 P782	L655-M726 CarbonylContact C-O 3.49Å; L655-M726 WeakPolarHBondContact CA-O 3.48Å; F656-M726 HydrophobicContact CB-CB 4.41Å; F656-M726 PolarHBondContact N-O 3.17Å; F656-M726 PolarHBondContact O-N 2.96Å; L724-M726 HydrophobicContact CD1-CG 4.34Å; M726-Y777 VanDerWaalsContact SD-CB 3.59Å; M726-P782 HydrophobicContact SD-CG 4.41Å
727	I	88.3	Confident	90.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.6	165.1	-70	172	0	0	0	108.5	P396 T398 L400 I405 L655 Y710	P396-I727 HydrophobicContact CG-CG2 3.42Å; P396-I727 VanDerWaalsContact CG-CG2 3.42Å; T398-I727 HydrophobicContact CG2-CD1 3.92Å; L400-I727 HydrophobicContact CB-CD1 4.3Å; L400-I727 HydrophobicContact CD1-CD1 3.31Å; L400-I727 HydrophobicContact CD1-CG1 4.42Å; L400-I727 HydrophobicContact CG-CD1 4.41Å; I405-I727 HydrophobicContact CG1-CB 4.42Å; I405-I727 HydrophobicContact CG1-CD1 4.2Å; I405-I727 HydrophobicContact CG1-CG2 4.44Å; I405-I727 HydrophobicContact CG2-CG2 4.21Å; L655-I727 HydrophobicContact CD2-CG1 3.57Å; Y710-I727 HydrophobicContact CD2-CG1 4.26Å
728	L	89.7	Confident	90	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-97.7	134.1	176.4	-59.4	-171.9	0	0	0	111.6	T654 F656 V697 P782 H785	T654-L728 PolarHBondContact O-N 3.33Å; T654-L728 PolarHBondContact OG1-O 3.32Å; F656-L728 HydrophobicContact CB-CD1 3.97Å; F656-L728 HydrophobicContact CB-CD2 3.86Å; F656-L728 HydrophobicContact CB-CG 3.89Å; F656-L728 HydrophobicContact CD2-CD1 4.47Å; V697-L728 HydrophobicContact CG2-CD1 4.43Å; L728-P782 HydrophobicContact CD2-CB 3.88Å; L728-H785 VanDerWaalsContact CD1-CD2 3.42Å; L728-H785 WeakPolarHBondContact CD1-CD2 3.14Å
729	P	88.2	Confident	89.9	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.052	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-69.4	149.1	169.7	30.9	-35	0	0	0	110.4	V393 H770	V393-P729 HydrophobicContact CG1-CB 4.02Å; P729-H770 HydrophobicContact CG-CB 4.25Å
730	R	86.5	Confident	90	Very high	121 Å²	121	56.9 Å²	56.9	46%	0.457	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.9	174.1	-64.3	-173.5	71.9	-176.1	4.2	110.3	S394	S394-R730 PolarHBondContact N-O 2.83Å; S394-R730 PolarHBondContact O-N 2.95Å; S394-R730 PolarHBondContact OG-O 3.29Å
731	L	91.3	Very high	90.2	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	143.1	172.6	-53.6	-166	0	0	0	109.6	L388 C392 V393 P733 C786 F787 L790	L388-L731 HydrophobicContact CD2-CD1 4.28Å; L388-L731 HydrophobicContact CD2-CD2 3.69Å; C392-L731 CarbonylContact O-C 3.48Å; C392-L731 WeakPolarHBondContact O-CA 2.94Å; V393-L731 HydrophobicContact CB-CD2 4.49Å; V393-L731 HydrophobicContact CG1-CD2 4.17Å; V393-L731 HydrophobicContact CG2-CD2 4.02Å; L731-P733 VanDerWaalsContact O-CD 3.29Å; L731-P733 WeakPolarHBondContact O-CD 3.47Å; L731-C786 WeakPolarHBondContact CD1-O 3.33Å; L731-C786 WeakPolarHBondContact CG-O 3.36Å; L731-F787 HydrophobicContact CD1-CD1 4.46Å; L731-F787 HydrophobicContact CD1-CD2 3.67Å; L731-F787 HydrophobicContact CD1-CE2 3.78Å; L731-F787 HydrophobicContact CD1-CG 4.03Å; L731-F787 HydrophobicContact CD1-CZ 4.23Å; L731-L790 HydrophobicContact CD1-CD1 3.86Å; L731-L790 HydrophobicContact CD1-CG 4.26Å
732	K	88.8	Confident	90.5	Very high	82 Å²	82	47.8 Å²	47.8	36%	0.357	25%	0.252	S	S	.	.			trans	-108.8	88.4	177.8	-65	175.5	-179	170.1	0	109.2	C392 S734 K735	C392-K732 PolarHBondContact O-N 2.95Å; K732-S734 PolarHBondContact O-N 2.67Å; K732-S734 VanDerWaalsContact O-N 3.15Å; K732-K735 HydrophobicContact CB-CB 4.21Å; K732-K735 HydrophobicContact CB-CG 4.08Å; K732-K735 HydrophobicContact CD-CG 4.46Å; K732-K735 PolarHBondContact O-N 3.04Å
733	P	90.2	Very high	90.6	Very high	51 Å²	51	43.9 Å²	43.9	33%	0.331	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-57.6	-32.2	-175.5	-22.6	31	0	0	0	113.3	L731 K735 L736 H789 L790	L731-P733 VanDerWaalsContact O-CD 3.29Å; L731-P733 WeakPolarHBondContact O-CD 3.47Å; P733-K735 PolarHBondContact O-N 3.49Å; P733-L736 PolarHBondContact O-N 2.86Å; P733-H789 HydrophobicContact CG-CB 3.78Å; P733-H789 WeakPolarHBondContact CG-O 3.32Å; P733-L790 HydrophobicContact CB-CD2 4.11Å; P733-L790 HydrophobicContact CG-CD2 4.13Å
734	S	88.6	Confident	90.7	Very high	115 Å²	115	43.7 Å²	43.7	80%	0.804	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-68.2	-16.4	178.6	56.3	0	0	0	0	114.6	K732	K732-S734 PolarHBondContact O-N 2.67Å; K732-S734 VanDerWaalsContact O-N 3.15Å
735	K	87.7	Confident	90.9	Very high	91 Å²	91	43.1 Å²	43.1	40%	0.396	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-96.3	-8.6	176.8	-64.8	-64.6	-173.4	-179.6	0	112.7	Y391 C392 K732 P733 P737	Y391-K735 HydrophobicContact CD2-CB 4.35Å; Y391-K735 WeakPolarHBondContact CE2-O 3.09Å; C392-K735 VanDerWaalsContact SG-C 3.54Å; C392-K735 PolarHBondContact SG-O 3.31Å; C392-K735 VanDerWaalsContact SG-O 3.33Å; K732-K735 HydrophobicContact CB-CB 4.21Å; K732-K735 HydrophobicContact CB-CG 4.08Å; K732-K735 HydrophobicContact CD-CG 4.46Å; K732-K735 PolarHBondContact O-N 3.04Å; P733-K735 PolarHBondContact O-N 3.49Å; K735-P737 WeakPolarHBondContact O-CD 3.42Å
736	L	91.3	Very high	91	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	22%	0.223	C	C	.	.	S	Bend	trans	-82.6	124.8	179.7	-174.7	70.2	0	0	0	109.9	P733 I740 P742 L790	P733-L736 PolarHBondContact O-N 2.86Å; L736-I740 HydrophobicContact CD1-CB 4.22Å; L736-I740 HydrophobicContact CD1-CG2 4Å; L736-P742 HydrophobicContact CD1-CG 3.78Å; L736-P742 HydrophobicContact CD2-CG 3.7Å; L736-P742 HydrophobicContact CG-CG 4.41Å; L736-L790 HydrophobicContact CD2-CD2 4.06Å
737	P	89.8	Confident	91.1	Very high	40 Å²	40	42.3 Å²	42.3	26%	0.26	22%	0.219	S	C	.	.			trans	-60.6	139.7	172.2	-23.8	34.3	0	0	0	112.7	K735 D739 I740	K735-P737 WeakPolarHBondContact O-CD 3.42Å; P737-D739 VanDerWaalsContact CB-OD1 3.26Å; P737-D739 WeakPolarHBondContact CB-OD1 3.29Å; P737-D739 PolarHBondContact O-N 3.39Å; P737-D739 VanDerWaalsContact O-N 3.16Å; P737-I740 HydrophobicContact CB-CD1 4Å; P737-I740 HydrophobicContact CB-CG1 4.12Å; P737-I740 HydrophobicContact CG-CD1 3.78Å; P737-I740 HydrophobicContact CG-CG1 4.45Å; P737-I740 PolarHBondContact O-N 3.45Å; P737-I740 VanDerWaalsContact O-N 3.09Å
738	D	88.1	Confident	91.2	Very high	148 Å²	148	43.3 Å²	43.3	79%	0.791	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.2	-174.4	-69.3	-42.4	0	0	0	114.4	I740	D738-I740 VanDerWaalsContact C-N 3.34Å
739	D	88.9	Confident	91	Very high	88 Å²	88	44.3 Å²	44.3	47%	0.471	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.4	178.6	66.4	-56.4	0	0	0	113.5	R384 P737	R384-D739 IonicContact CZ-OD2 3.52Å; R384-D739 IonicContact NH1-OD2 3.61Å; R384-D739 PolarHBondContact NH1-OD2 3.31Å; R384-D739 IonicContact NH2-OD1 3.58Å; R384-D739 IonicContact NH2-OD2 2.91Å; R384-D739 PolarHBondContact NH2-OD2 2.76Å; P737-D739 VanDerWaalsContact CB-OD1 3.26Å; P737-D739 WeakPolarHBondContact CB-OD1 3.29Å; P737-D739 PolarHBondContact O-N 3.39Å; P737-D739 VanDerWaalsContact O-N 3.16Å
740	I	91.7	Very high	90.5	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	25%	0.25	C	C	.	.			trans	-96.2	133.2	-177.4	-60.2	-178	0	0	0	110.1	M387 P389 L736 P737 D738 P742	M387-I740 WeakPolarHBondContact O-CG2 3.45Å; P389-I740 HydrophobicContact CG-CD1 4.47Å; L736-I740 HydrophobicContact CD1-CB 4.22Å; L736-I740 HydrophobicContact CD1-CG2 4Å; P737-I740 HydrophobicContact CB-CD1 4Å; P737-I740 HydrophobicContact CB-CG1 4.12Å; P737-I740 HydrophobicContact CG-CD1 3.78Å; P737-I740 HydrophobicContact CG-CG1 4.45Å; P737-I740 PolarHBondContact O-N 3.45Å; P737-I740 VanDerWaalsContact O-N 3.09Å; D738-I740 VanDerWaalsContact C-N 3.34Å; I740-P742 HydrophobicContact CG2-CG 4.26Å
741	K	92.6	Very high	89.8	Confident	87 Å²	87	43.9 Å²	43.9	38%	0.378	23%	0.233	S	C	.	.			trans	-122.1	85.7	176.8	-62.5	-179.8	-175.9	179.6	0	109.1	N385 I386 Q792	N385-K741 CarbonylContact O-C 3.54Å; N385-K741 PolarHBondContact O-N 2.88Å; I386-K741 WeakPolarHBondContact CA-O 3.31Å; K741-Q792 HydrophobicContact CG-CB 4.15Å
742	P	95.4	Very high	88.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-52.4	143.6	-174.7	-28.3	36.7	0	0	0	112.5	I386 L388 L736 I740 F787 L790 F793 K794	I386-P742 WeakPolarHBondContact O-CA 3.32Å; L388-P742 HydrophobicContact CB-CB 4.41Å; L388-P742 HydrophobicContact CD1-CB 4.46Å; L388-P742 HydrophobicContact CD1-CG 4.21Å; L736-P742 HydrophobicContact CD1-CG 3.78Å; L736-P742 HydrophobicContact CD2-CG 3.7Å; L736-P742 HydrophobicContact CG-CG 4.41Å; I740-P742 HydrophobicContact CG2-CG 4.26Å; P742-F787 HydrophobicContact CB-CE1 4.07Å; P742-L790 HydrophobicContact CG-CD1 4.31Å; P742-F793 CarbonylContact O-C 3.54Å; P742-F793 WeakPolarHBondContact O-CA 3.38Å; P742-F793 VanDerWaalsContact O-CB 3.26Å; P742-F793 WeakPolarHBondContact O-CB 3.48Å; P742-K794 PolarHBondContact O-N 3.47Å
743	L	95.5	Very high	87.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.3	174.2	-176.4	64.9	0	0	0	110.2	I386 V745 L767 Q771 K794 L796 V879 V883	I386-L743 HydrophobicContact CB-CB 4.08Å; I386-L743 HydrophobicContact CD1-CD2 4.37Å; I386-L743 PolarHBondContact O-N 3.06Å; L743-V745 HydrophobicContact CD2-CG2 3.83Å; L743-V745 HydrophobicContact CG-CG2 3.87Å; L743-L767 HydrophobicContact CD2-CD1 4.15Å; L743-Q771 VanDerWaalsContact O-CB 3.3Å; L743-Q771 WeakPolarHBondContact O-CB 3.32Å; L743-Q771 PolarHBondContact O-NE2 3.04Å; L743-K794 CarbonylContact C-O 3.59Å; L743-K794 WeakPolarHBondContact CA-O 3.23Å; L743-K794 HydrophobicContact CD1-CB 3.89Å; L743-L796 HydrophobicContact CD1-CB 3.93Å; L743-L796 HydrophobicContact CD2-CB 4.33Å; L743-L796 HydrophobicContact CD2-CD2 4.43Å; L743-L796 HydrophobicContact CG-CB 4.37Å; L743-V879 HydrophobicContact CD2-CG1 3.94Å; L743-V879 HydrophobicContact CD2-CG2 4.23Å; L743-V883 HydrophobicContact CD1-CG1 4.1Å
744	L	97	Very high	86.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.5	164.8	173.3	61.1	0	0	0	108.7	L746 F773 L784 F787 F793 K794 I795 L796	L744-L746 HydrophobicContact CD1-CD2 4.11Å; L744-L746 HydrophobicContact CD2-CD2 4.28Å; L744-L746 HydrophobicContact CG-CD2 4.08Å; L744-L746 HydrophobicContact CG-CG 4.25Å; L744-F773 HydrophobicContact CD1-CD2 3.44Å; L744-F773 VanDerWaalsContact CD1-CD2 3.44Å; L744-F773 HydrophobicContact CD1-CE2 3.63Å; L744-L784 HydrophobicContact CD2-CD2 3.96Å; L744-L784 HydrophobicContact CD2-CG 4.43Å; L744-F787 HydrophobicContact CB-CD1 3.94Å; L744-F787 HydrophobicContact CB-CE1 3.85Å; L744-F787 HydrophobicContact CB-CG 4.35Å; L744-F787 HydrophobicContact CB-CZ 4.19Å; L744-F787 HydrophobicContact CD1-CD2 4.05Å; L744-F787 HydrophobicContact CD1-CE2 3.92Å; L744-F787 HydrophobicContact CD1-CZ 4.24Å; L744-F787 HydrophobicContact CD2-CG 4.38Å; L744-F793 HydrophobicContact CB-CD2 4.36Å; L744-F793 HydrophobicContact CD2-CE2 4.34Å; L744-K794 PolarHBondContact N-O 2.8Å; L744-I795 HydrophobicContact CB-CG1 4.4Å; L744-I795 HydrophobicContact CD2-CG1 4.36Å; L744-I795 CarbonylContact O-C 3.6Å; L744-I795 WeakPolarHBondContact O-CA 3.23Å; L744-L796 PolarHBondContact O-N 3.43Å
745	V	95.7	Very high	85.4	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.1	179.9	-174.8	0	0	0	0	109.6	L743 V747 F763 L767 Q771 V772 F773 L796	L743-V745 HydrophobicContact CD2-CG2 3.83Å; L743-V745 HydrophobicContact CG-CG2 3.87Å; V745-V747 HydrophobicContact CG1-CG2 3.82Å; V745-F763 HydrophobicContact CG1-CD1 4.18Å; V745-F763 HydrophobicContact CG1-CD2 3.73Å; V745-F763 HydrophobicContact CG1-CE1 4.25Å; V745-F763 HydrophobicContact CG1-CE2 3.86Å; V745-F763 HydrophobicContact CG1-CG 3.93Å; V745-F763 HydrophobicContact CG1-CZ 4.13Å; V745-F763 HydrophobicContact CG2-CD1 4.11Å; V745-F763 HydrophobicContact CG2-CE1 4.34Å; V745-F763 HydrophobicContact CG2-CG 4.48Å; V745-L767 HydrophobicContact CG2-CD1 3.73Å; V745-Q771 PolarHBondContact N-O 3.01Å; V745-V772 HydrophobicContact CB-CG1 4.45Å; V745-V772 HydrophobicContact CB-CG2 4.34Å; V745-V772 HydrophobicContact CG1-CG1 4.45Å; V745-F773 PolarHBondContact O-N 3.33Å; V745-L796 WeakPolarHBondContact CA-O 3.14Å; V745-L796 HydrophobicContact CG1-CD2 4.45Å
746	L	95.9	Very high	84.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.3	-179.4	-63.3	-177.3	0	0	0	109	L744 F773 L775 P780 I795 L796 V797 C798 A807	L744-L746 HydrophobicContact CD1-CD2 4.11Å; L744-L746 HydrophobicContact CD2-CD2 4.28Å; L744-L746 HydrophobicContact CG-CD2 4.08Å; L744-L746 HydrophobicContact CG-CG 4.25Å; L746-F773 HydrophobicContact CD2-CB 3.99Å; L746-L775 HydrophobicContact CB-CD1 4.42Å; L746-L775 HydrophobicContact CB-CD2 4.05Å; L746-L775 HydrophobicContact CB-CG 4.45Å; L746-L775 HydrophobicContact CD2-CD2 4.17Å; L746-P780 HydrophobicContact CD1-CB 3.96Å; L746-I795 HydrophobicContact CD1-CG2 4Å; L746-I795 HydrophobicContact CG-CG2 4.35Å; L746-L796 PolarHBondContact N-O 3.34Å; L746-V797 HydrophobicContact CB-CG2 4.45Å; L746-V797 HydrophobicContact CD1-CG2 4.25Å; L746-C798 PolarHBondContact O-N 3.44Å; L746-A807 HydrophobicContact CD1-CB 4.12Å
747	V	92.5	Very high	84.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.6	-174.6	-170.9	0	0	0	0	111.8	V745 L759 I760 F763 V772 F773 L775 C798	V745-V747 HydrophobicContact CG1-CG2 3.82Å; V747-L759 HydrophobicContact CG1-CB 4.4Å; V747-I760 HydrophobicContact CB-CD1 4.12Å; V747-I760 HydrophobicContact CB-CG1 3.64Å; V747-I760 HydrophobicContact CG1-CD1 4.18Å; V747-I760 HydrophobicContact CG1-CG1 3.81Å; V747-I760 HydrophobicContact CG2-CG1 3.84Å; V747-F763 HydrophobicContact CG2-CD2 4.4Å; V747-V772 HydrophobicContact CG2-CG1 4.48Å; V747-F773 PolarHBondContact N-O 3.25Å; V747-L775 WeakPolarHBondContact O-CG 3.41Å; V747-L775 PolarHBondContact O-N 2.76Å; V747-C798 HydrophobicContact CB-CB 4.34Å; V747-C798 HydrophobicContact CG1-CB 4.07Å; V747-C798 HydrophobicContact CG2-CB 4.2Å
748	N	90.4	Very high	83.6	Confident	22 Å²	22	39.8 Å²	39.8	12%	0.118	23%	0.228	C	C	.	.			trans	-86.4	103.7	169.2	-170.6	-13.4	0	0	0	110.2	K750 S751 L775 C798 T803	N748-K750 VanDerWaalsContact C-N 3.26Å; N748-K750 PolarHBondContact O-N 3.18Å; N748-K750 WeakPolarHBondContact OD1-CB 3.27Å; N748-K750 PolarHBondContact OD1-N 3.46Å; N748-K750 VanDerWaalsContact OD1-N 3.16Å; N748-S751 PolarHBondContact ND2-OG 3.08Å; N748-S751 VanDerWaalsContact ND2-OG 3.11Å; N748-S751 WeakPolarHBondContact O-CB 3.43Å; N748-S751 PolarHBondContact O-N 3.35Å; N748-L775 HydrophobicContact CB-CD1 3.99Å; N748-C798 PolarHBondContact N-O 3.39Å; N748-T803 HydrophobicContact CB-CG2 3.82Å; N748-T803 PolarHBondContact ND2-OG1 3.1Å
749	V	84.6	Confident	83.3	Confident	24 Å²	24	32.8 Å²	32.8	15%	0.145	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.2	-177.9	-178.6	0	0	0	0	112.7	S751 C754 A757 I760 N774	V749-S751 VanDerWaalsContact C-N 3.26Å; V749-S751 PolarHBondContact O-N 2.73Å; V749-C754 WeakPolarHBondContact O-CA 3.46Å; V749-A757 HydrophobicContact CG1-CB 4.31Å; V749-I760 HydrophobicContact CG2-CD1 3.34Å; V749-N774 WeakPolarHBondContact CG2-OD1 3.34Å
750	K	78.2	Confident	83.1	Confident	104 Å²	104	29 Å²	29	45%	0.452	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.8	177.6	-63.3	177.1	176.4	124.1	0	113.3	N748 D776 S1235	N748-K750 VanDerWaalsContact C-N 3.26Å; N748-K750 PolarHBondContact O-N 3.18Å; N748-K750 WeakPolarHBondContact OD1-CB 3.27Å; N748-K750 PolarHBondContact OD1-N 3.46Å; N748-K750 VanDerWaalsContact OD1-N 3.16Å; K750-D776 VanDerWaalsContact CE-OD1 3.29Å; K750-D776 WeakPolarHBondContact CE-OD1 3.26Å; K750-D776 IonicContact NZ-OD1 3.19Å; K750-D776 PolarHBondContact NZ-OD1 3.38Å; K750-S1235 WeakPolarHBondContact CE-OG 3.22Å; K750-S1235 VanDerWaalsContact NZ-CB 3.29Å; K750-S1235 PolarHBondContact NZ-OG 2.82Å
751	S	72.5	Confident	82.6	Confident	15 Å²	15	29.4 Å²	29.4	11%	0.105	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	141.5	178.2	-72.6	0	0	0	0	112.1	N748 V749 G753	N748-S751 PolarHBondContact ND2-OG 3.08Å; N748-S751 VanDerWaalsContact ND2-OG 3.11Å; N748-S751 WeakPolarHBondContact O-CB 3.43Å; N748-S751 PolarHBondContact O-N 3.35Å; V749-S751 VanDerWaalsContact C-N 3.26Å; V749-S751 PolarHBondContact O-N 2.73Å; S751-G753 PolarHBondContact O-N 2.73Å
752	G	64.6	Low	82.1	Confident	16 Å²	16	25.6 Å²	25.6	17%	0.165	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	29.7	162.6	0	0	0	0	0	117.3	L830	G752-L830 WeakPolarHBondContact CA-O 3.13Å; G752-L830 PolarHBondContact N-O 3.24Å
753	G	66.2	Low	81.8	Confident	36 Å²	36	25.7 Å²	25.7	37%	0.371	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	38.1	177.2	0	0	0	0	0	113.9	S751 Q755 N959	S751-G753 PolarHBondContact O-N 2.73Å; G753-Q755 VanDerWaalsContact C-N 3.29Å; G753-Q755 PolarHBondContact O-N 2.87Å; G753-N959 WeakPolarHBondContact CA-O 3.41Å; G753-N959 PolarHBondContact N-O 3.42Å
754	C	64.3	Low	81.4	Confident	75 Å²	75	26.1 Å²	26.1	51%	0.507	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	23.1	174.9	-53.7	0	0	0	0	115.2	V749 G756	V749-C754 WeakPolarHBondContact O-CA 3.46Å; C754-G756 PolarHBondContact O-N 3.11Å
755	Q	69.6	Low	80.8	Confident	62 Å²	62	27.3 Å²	27.3	29%	0.29	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.9	175.3	-64.9	-173.8	-27.8	0	0	113.5	G753 A757 D758 L759	G753-Q755 VanDerWaalsContact C-N 3.29Å; G753-Q755 PolarHBondContact O-N 2.87Å; Q755-A757 VanDerWaalsContact C-N 3.33Å; Q755-A757 PolarHBondContact O-N 3.31Å; Q755-D758 PolarHBondContact O-N 2.87Å; Q755-L759 PolarHBondContact O-N 3.43Å
756	G	75.4	Confident	80.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-28.1	-174.8	0	0	0	0	0	114.8	C754 L759 I760	C754-G756 PolarHBondContact O-N 3.11Å; G756-L759 WeakPolarHBondContact O-CB 3.43Å; G756-L759 PolarHBondContact O-N 2.91Å; G756-I760 WeakPolarHBondContact O-CG1 3.2Å; G756-I760 PolarHBondContact O-N 3.36Å
757	A	78.7	Confident	80	Confident	49 Å²	49	28.8 Å²	28.8	41%	0.405	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-42.8	178.3	0	0	0	0	0	112.2	V749 Q755 L759 I760 T761	V749-A757 HydrophobicContact CG1-CB 4.31Å; Q755-A757 VanDerWaalsContact C-N 3.33Å; Q755-A757 PolarHBondContact O-N 3.31Å; A757-L759 VanDerWaalsContact C-N 3.32Å; A757-L759 PolarHBondContact O-N 2.77Å; A757-I760 PolarHBondContact O-N 3.07Å; A757-T761 PolarHBondContact O-N 2.95Å; A757-T761 VanDerWaalsContact O-N 3.09Å; A757-T761 PolarHBondContact O-OG1 2.94Å; A757-T761 VanDerWaalsContact O-OG1 3.04Å
758	D	77.4	Confident	80	Confident	103 Å²	103	28.8 Å²	28.8	55%	0.551	17%	0.172	S	C	*	.	H	α-helix	trans	-65.8	-36	175.3	-76.3	-31.8	0	0	0	111.7	Q755 S762	Q755-D758 PolarHBondContact O-N 2.87Å; D758-S762 VanDerWaalsContact O-CB 3.32Å; D758-S762 WeakPolarHBondContact O-CB 3.25Å; D758-S762 PolarHBondContact O-N 2.98Å; D758-S762 PolarHBondContact O-OG 3.08Å
759	L	82	Confident	80.1	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-48.2	175.3	-71.5	172.4	0	0	0	111.5	V747 Q755 G756 A757 T761 S762 F763 L828 L830 Y846 V871 I875	V747-L759 HydrophobicContact CG1-CB 4.4Å; Q755-L759 PolarHBondContact O-N 3.43Å; G756-L759 WeakPolarHBondContact O-CB 3.43Å; G756-L759 PolarHBondContact O-N 2.91Å; A757-L759 VanDerWaalsContact C-N 3.32Å; A757-L759 PolarHBondContact O-N 2.77Å; L759-T761 VanDerWaalsContact C-N 3.31Å; L759-T761 PolarHBondContact O-N 3.33Å; L759-S762 PolarHBondContact O-N 2.72Å; L759-S762 VanDerWaalsContact O-N 3.1Å; L759-F763 HydrophobicContact CB-CD2 4.31Å; L759-F763 HydrophobicContact CB-CE2 4.22Å; L759-F763 HydrophobicContact CD2-CE2 4.42Å; L759-F763 WeakPolarHBondContact O-CD2 3.28Å; L759-F763 PolarHBondContact O-N 3.08Å; L759-L828 HydrophobicContact CD1-CD2 3.66Å; L759-L828 HydrophobicContact CD2-CD2 4Å; L759-L828 HydrophobicContact CG-CD2 4.47Å; L759-L830 HydrophobicContact CD1-CD1 3.63Å; L759-L830 HydrophobicContact CD1-CD2 3.71Å; L759-L830 HydrophobicContact CD1-CG 4.21Å; L759-Y846 HydrophobicContact CD2-CE1 4.3Å; L759-V871 HydrophobicContact CD2-CG1 4.26Å; L759-I875 HydrophobicContact CD2-CD1 3.87Å; L759-I875 HydrophobicContact CD2-CG1 4.2Å
760	I	84.1	Confident	80.4	Confident	9 Å²	9	27.4 Å²	27.4	5%	0.046	16%	0.164	C	C	.	.	H	α-helix	trans	-53.8	-51.7	175.9	-72	161.7	0	0	0	110.2	V747 V749 G756 A757 S762 F763 R764 V772 N774	V747-I760 HydrophobicContact CB-CD1 4.12Å; V747-I760 HydrophobicContact CB-CG1 3.64Å; V747-I760 HydrophobicContact CG1-CD1 4.18Å; V747-I760 HydrophobicContact CG1-CG1 3.81Å; V747-I760 HydrophobicContact CG2-CG1 3.84Å; V749-I760 HydrophobicContact CG2-CD1 3.34Å; G756-I760 WeakPolarHBondContact O-CG1 3.2Å; G756-I760 PolarHBondContact O-N 3.36Å; A757-I760 PolarHBondContact O-N 3.07Å; I760-S762 VanDerWaalsContact C-N 3.26Å; I760-S762 PolarHBondContact O-N 3.14Å; I760-F763 PolarHBondContact O-N 3.1Å; I760-R764 HydrophobicContact CG2-CG 4.39Å; I760-R764 VanDerWaalsContact CG2-CZ 3.45Å; I760-R764 VanDerWaalsContact CG2-NH1 3.32Å; I760-R764 WeakPolarHBondContact O-CB 3.24Å; I760-R764 WeakPolarHBondContact O-CG 3.22Å; I760-R764 PolarHBondContact O-N 3.39Å; I760-V772 HydrophobicContact CG2-CG1 4.25Å; I760-N774 HydrophobicContact CD1-CB 3.67Å
761	T	82.3	Confident	81.2	Confident	13 Å²	13	22.5 Å²	22.5	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-43.6	178.7	-60.6	0	0	0	0	111.1	E136 A757 L759 K765	E136-T761 HydrophobicContact CB-CG2 4.13Å; E136-T761 HydrophobicContact CG-CG2 4.44Å; A757-T761 PolarHBondContact O-N 2.95Å; A757-T761 VanDerWaalsContact O-N 3.09Å; A757-T761 PolarHBondContact O-OG1 2.94Å; A757-T761 VanDerWaalsContact O-OG1 3.04Å; L759-T761 VanDerWaalsContact C-N 3.31Å; L759-T761 PolarHBondContact O-N 3.33Å; T761-K765 VanDerWaalsContact O-CG 3.31Å; T761-K765 WeakPolarHBondContact O-CG 3.33Å; T761-K765 PolarHBondContact O-N 3.14Å
762	S	82	Confident	82.2	Confident	8 Å²	8	22 Å²	22	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-70.7	-40.1	-178.4	-58.1	0	0	0	0	112.8	D758 L759 I760 K765 L766 V871	D758-S762 VanDerWaalsContact O-CB 3.32Å; D758-S762 WeakPolarHBondContact O-CB 3.25Å; D758-S762 PolarHBondContact O-N 2.98Å; D758-S762 PolarHBondContact O-OG 3.08Å; L759-S762 PolarHBondContact O-N 2.72Å; L759-S762 VanDerWaalsContact O-N 3.1Å; I760-S762 VanDerWaalsContact C-N 3.26Å; I760-S762 PolarHBondContact O-N 3.14Å; S762-K765 PolarHBondContact O-N 3.4Å; S762-L766 WeakPolarHBondContact O-CG 3.15Å; S762-L766 PolarHBondContact O-N 3.42Å; S762-V871 WeakPolarHBondContact OG-CG1 3.43Å
763	F	88	Confident	83.6	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-40.1	174.8	-77	-67.9	0	0	0	112.1	V745 V747 L759 I760 K765 L766 L767 V772 L796 I875 V879	V745-F763 HydrophobicContact CG1-CD1 4.18Å; V745-F763 HydrophobicContact CG1-CD2 3.73Å; V745-F763 HydrophobicContact CG1-CE1 4.25Å; V745-F763 HydrophobicContact CG1-CE2 3.86Å; V745-F763 HydrophobicContact CG1-CG 3.93Å; V745-F763 HydrophobicContact CG1-CZ 4.13Å; V745-F763 HydrophobicContact CG2-CD1 4.11Å; V745-F763 HydrophobicContact CG2-CE1 4.34Å; V745-F763 HydrophobicContact CG2-CG 4.48Å; V747-F763 HydrophobicContact CG2-CD2 4.4Å; L759-F763 HydrophobicContact CB-CD2 4.31Å; L759-F763 HydrophobicContact CB-CE2 4.22Å; L759-F763 HydrophobicContact CD2-CE2 4.42Å; L759-F763 WeakPolarHBondContact O-CD2 3.28Å; L759-F763 PolarHBondContact O-N 3.08Å; I760-F763 PolarHBondContact O-N 3.1Å; F763-K765 VanDerWaalsContact C-N 3.27Å; F763-K765 PolarHBondContact O-N 2.95Å; F763-L766 PolarHBondContact O-N 3.27Å; F763-L766 VanDerWaalsContact O-N 3.16Å; F763-L767 HydrophobicContact CD1-CD1 4.19Å; F763-L767 WeakPolarHBondContact O-CB 3.36Å; F763-L767 PolarHBondContact O-N 3.41Å; F763-V772 HydrophobicContact CB-CB 4.46Å; F763-V772 HydrophobicContact CB-CG1 3.94Å; F763-V772 HydrophobicContact CB-CG2 3.62Å; F763-L796 HydrophobicContact CE1-CD2 3.72Å; F763-L796 HydrophobicContact CZ-CD2 3.51Å; F763-I875 HydrophobicContact CD1-CG2 3.61Å; F763-I875 HydrophobicContact CE1-CB 4.49Å; F763-I875 HydrophobicContact CE1-CG1 4.48Å; F763-I875 HydrophobicContact CE1-CG2 3.3Å; F763-I875 HydrophobicContact CE2-CD1 4.4Å; F763-I875 HydrophobicContact CG-CG2 4.43Å; F763-I875 HydrophobicContact CZ-CD1 4.48Å; F763-I875 HydrophobicContact CZ-CG1 4.22Å; F763-I875 HydrophobicContact CZ-CG2 3.87Å; F763-V879 HydrophobicContact CD1-CG2 4.42Å; F763-V879 HydrophobicContact CE1-CG2 3.62Å
764	R	87.5	Confident	84.8	Confident	10 Å²	10	21.7 Å²	21.7	4%	0.038	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-29.5	178.2	-73.7	179.9	172.2	158	-3.6	113.3	I406 M408 I760 L767 P769 V772	I406-R764 PolarHBondContact O-NH2 2.89Å; M408-R764 VanDerWaalsContact CG-NH1 3.27Å; I760-R764 HydrophobicContact CG2-CG 4.39Å; I760-R764 VanDerWaalsContact CG2-CZ 3.45Å; I760-R764 VanDerWaalsContact CG2-NH1 3.32Å; I760-R764 WeakPolarHBondContact O-CB 3.24Å; I760-R764 WeakPolarHBondContact O-CG 3.22Å; I760-R764 PolarHBondContact O-N 3.39Å; R764-L767 VanDerWaalsContact O-O 3.09Å; R764-P769 HydrophobicContact CB-CB 4.34Å; R764-P769 HydrophobicContact CB-CG 4.33Å; R764-P769 HydrophobicContact CG-CB 4.1Å; R764-V772 HydrophobicContact CG-CB 3.88Å; R764-V772 HydrophobicContact CG-CG1 4.15Å; R764-V772 HydrophobicContact CG-CG2 4.07Å
765	K	84.1	Confident	86.2	Confident	24 Å²	24	18.3 Å²	18.3	10%	0.104	10%	0.101	C	C	.	.	H	α-helix	trans	-67.9	-46.2	171	-68.8	169	-176.1	-176.3	0	111.8	E136 E139 K155 T761 S762 F763	E136-K765 WeakPolarHBondContact O-CE 3.39Å; E136-K765 VanDerWaalsContact O-CG 3.3Å; E136-K765 WeakPolarHBondContact O-CG 3.26Å; E139-K765 HydrophobicContact CG-CD 3.87Å; E139-K765 HydrophobicContact CG-CG 4.42Å; E139-K765 WeakPolarHBondContact OE1-CE 3.05Å; E139-K765 IonicContact OE1-NZ 3.33Å; E139-K765 PolarHBondContact OE1-NZ 3.47Å; K155-K765 PolarHBondContact NZ-O 3.27Å; K155-K765 VanDerWaalsContact NZ-O 3.13Å; T761-K765 VanDerWaalsContact O-CG 3.31Å; T761-K765 WeakPolarHBondContact O-CG 3.33Å; T761-K765 PolarHBondContact O-N 3.14Å; S762-K765 PolarHBondContact O-N 3.4Å; F763-K765 VanDerWaalsContact C-N 3.27Å; F763-K765 PolarHBondContact O-N 2.95Å
766	L	85.7	Confident	87	Confident	31 Å²	31	18.2 Å²	18.2	16%	0.162	10%	0.102	C	C	.	.	H	α-helix	trans	-78.8	-39.8	-172.2	-71.3	174.4	0	0	0	113.6	L383 M387 S762 F763 V872 I875 V876	L383-L766 HydrophobicContact CD1-CB 3.95Å; L383-L766 HydrophobicContact CD1-CD2 4.34Å; L383-L766 VanDerWaalsContact CD1-O 3.24Å; L383-L766 WeakPolarHBondContact CD1-O 3.06Å; M387-L766 VanDerWaalsContact CE-O 3.26Å; M387-L766 WeakPolarHBondContact CE-O 3.39Å; S762-L766 WeakPolarHBondContact O-CG 3.15Å; S762-L766 PolarHBondContact O-N 3.42Å; F763-L766 PolarHBondContact O-N 3.27Å; F763-L766 VanDerWaalsContact O-N 3.16Å; L766-V872 HydrophobicContact CD1-CG1 4.22Å; L766-V872 HydrophobicContact CD2-CG1 3.95Å; L766-V872 HydrophobicContact CG-CG1 4.37Å; L766-I875 HydrophobicContact CD1-CB 4Å; L766-I875 HydrophobicContact CD1-CG2 3.5Å; L766-I875 VanDerWaalsContact CD1-CG2 3.5Å; L766-V876 HydrophobicContact CD1-CG2 3.65Å; L766-V876 HydrophobicContact CD2-CG2 3.64Å; L766-V876 HydrophobicContact CG-CG2 4.29Å
767	L	90.4	Very high	87.6	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.113	C	C	.	.	S	Bend	trans	-106	-179.4	-176.7	-61.3	175.8	0	0	0	110.2	K155 L383 I386 M387 L743 V745 F763 R764 P769 Q771	K155-L767 PolarHBondContact NZ-O 3.33Å; L383-L767 HydrophobicContact CD1-CD2 4.24Å; I386-L767 HydrophobicContact CD1-CD2 4.2Å; M387-L767 HydrophobicContact CE-CD2 4.39Å; L743-L767 HydrophobicContact CD2-CD1 4.15Å; V745-L767 HydrophobicContact CG2-CD1 3.73Å; F763-L767 HydrophobicContact CD1-CD1 4.19Å; F763-L767 WeakPolarHBondContact O-CB 3.36Å; F763-L767 PolarHBondContact O-N 3.41Å; R764-L767 VanDerWaalsContact O-O 3.09Å; L767-P769 WeakPolarHBondContact O-CD 3.49Å; L767-Q771 HydrophobicContact CB-CB 4.48Å
768	N	92.5	Very high	88.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.			trans	-67.8	126.4	162.3	-173.9	-33.3	0	0	0	108.2	C157 W361 M387 L388 H770 Q771	C157-N768 PolarHBondContact O-ND2 3.11Å; C157-N768 PolarHBondContact O-OD1 3.32Å; W361-N768 HydrophobicContact CZ3-CB 4.34Å; M387-N768 HydrophobicContact SD-CB 4.2Å; M387-N768 PolarHBondContact SD-N 3.13Å; M387-N768 VanDerWaalsContact SD-N 3.39Å; L388-N768 HydrophobicContact CB-CB 4.17Å; L388-N768 VanDerWaalsContact O-CB 3.31Å; L388-N768 WeakPolarHBondContact O-CB 3.47Å; L388-N768 PolarHBondContact O-ND2 3.1Å; N768-H770 PolarHBondContact O-N 3.13Å; N768-H770 PolarHBondContact OD1-CD2 3.26Å; N768-H770 PolarHBondContact OD1-N 3.09Å; N768-H770 VanDerWaalsContact OD1-N 3.08Å; N768-Q771 HydrophobicContact CB-CG 4.08Å; N768-Q771 VanDerWaalsContact N-OE1 3.09Å; N768-Q771 WeakPolarHBondContact O-CB 3.18Å; N768-Q771 PolarHBondContact O-N 3.23Å
769	P	91.5	Very high	88.8	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.013	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-51.8	-29.3	178.2	-29.7	36	0	0	0	115	I137 C157 I406 R764 L767 Q771 V772	I137-P769 HydrophobicContact CD1-CG 4.14Å; I137-P769 HydrophobicContact CG1-CG 4.24Å; I137-P769 HydrophobicContact CG2-CG 3.97Å; C157-P769 HydrophobicContact CB-CG 4.24Å; C157-P769 WeakPolarHBondContact SG-CD 3.4Å; C157-P769 VanDerWaalsContact SG-CG 3.51Å; I406-P769 HydrophobicContact CD1-CB 4.25Å; I406-P769 HydrophobicContact CG2-CB 4.39Å; R764-P769 HydrophobicContact CB-CB 4.34Å; R764-P769 HydrophobicContact CB-CG 4.33Å; R764-P769 HydrophobicContact CG-CB 4.1Å; L767-P769 WeakPolarHBondContact O-CD 3.49Å; P769-Q771 PolarHBondContact O-N 2.62Å; P769-V772 PolarHBondContact O-N 2.95Å
770	H	92.3	Very high	89.5	Confident	15 Å²	15	14.7 Å²	14.7	7%	0.069	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-72	-0.4	175.2	-61.4	-66.9	0	0	0	114	V393 P729 N768 F773	V393-H770 HydrophobicContact CG1-CB 4.16Å; P729-H770 HydrophobicContact CG-CB 4.25Å; N768-H770 PolarHBondContact O-N 3.13Å; N768-H770 PolarHBondContact OD1-CD2 3.26Å; N768-H770 PolarHBondContact OD1-N 3.09Å; N768-H770 VanDerWaalsContact OD1-N 3.08Å; H770-F773 VanDerWaalsContact O-CE2 3.3Å; H770-F773 WeakPolarHBondContact O-CE2 3.49Å
771	Q	94.5	Very high	90	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-91.1	-10.2	168.4	-64.5	-179.5	-100.9	0	0	112.7	I386 L388 L743 V745 L767 N768 P769 F787	I386-Q771 PolarHBondContact O-NE2 2.85Å; L388-Q771 VanDerWaalsContact CB-CD 3.43Å; L388-Q771 HydrophobicContact CB-CG 3.61Å; L388-Q771 HydrophobicContact CD2-CG 4Å; L743-Q771 VanDerWaalsContact O-CB 3.3Å; L743-Q771 WeakPolarHBondContact O-CB 3.32Å; L743-Q771 PolarHBondContact O-NE2 3.04Å; V745-Q771 PolarHBondContact N-O 3.01Å; L767-Q771 HydrophobicContact CB-CB 4.48Å; N768-Q771 HydrophobicContact CB-CG 4.08Å; N768-Q771 VanDerWaalsContact N-OE1 3.09Å; N768-Q771 WeakPolarHBondContact O-CB 3.18Å; N768-Q771 PolarHBondContact O-N 3.23Å; P769-Q771 PolarHBondContact O-N 2.62Å; Q771-F787 HydrophobicContact CG-CZ 4.18Å
772	V	93.5	Very high	90.6	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.024	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.9	-167.8	-171.2	0	0	0	0	110.9	V745 V747 I760 F763 R764 P769	V745-V772 HydrophobicContact CB-CG1 4.45Å; V745-V772 HydrophobicContact CB-CG2 4.34Å; V745-V772 HydrophobicContact CG1-CG1 4.45Å; V747-V772 HydrophobicContact CG2-CG1 4.48Å; I760-V772 HydrophobicContact CG2-CG1 4.25Å; F763-V772 HydrophobicContact CB-CB 4.46Å; F763-V772 HydrophobicContact CB-CG1 3.94Å; F763-V772 HydrophobicContact CB-CG2 3.62Å; R764-V772 HydrophobicContact CG-CB 3.88Å; R764-V772 HydrophobicContact CG-CG1 4.15Å; R764-V772 HydrophobicContact CG-CG2 4.07Å; P769-V772 PolarHBondContact O-N 2.95Å
773	F	93.9	Very high	91.3	Very high	21 Å²	21	13.4 Å²	13.4	9%	0.092	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.8	-177.8	-67.9	-99.2	0	0	0	111	L744 V745 L746 V747 H770 P782 C786 F787	L744-F773 HydrophobicContact CD1-CD2 3.44Å; L744-F773 VanDerWaalsContact CD1-CD2 3.44Å; L744-F773 HydrophobicContact CD1-CE2 3.63Å; V745-F773 PolarHBondContact O-N 3.33Å; L746-F773 HydrophobicContact CD2-CB 3.99Å; V747-F773 PolarHBondContact N-O 3.25Å; H770-F773 VanDerWaalsContact O-CE2 3.3Å; H770-F773 WeakPolarHBondContact O-CE2 3.49Å; F773-P782 HydrophobicContact CD1-CB 4.09Å; F773-P782 HydrophobicContact CE1-CB 4.13Å; F773-C786 HydrophobicContact CZ-CB 4.38Å; F773-F787 HydrophobicContact CE2-CE2 4.31Å
774	N	91.6	Very high	91.7	Very high	26 Å²	26	13.5 Å²	13.5	14%	0.139	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.3	170.1	177.6	-0.9	0	0	0	108.9	V749 I760 D776 Y777	V749-N774 WeakPolarHBondContact CG2-OD1 3.34Å; I760-N774 HydrophobicContact CD1-CB 3.67Å; N774-D776 PolarHBondContact O-N 2.91Å; N774-D776 WeakPolarHBondContact OD1-CB 3.26Å; N774-D776 PolarHBondContact OD1-N 3.18Å; N774-Y777 HydrophobicContact CB-CD2 3.95Å; N774-Y777 HydrophobicContact CB-CE2 4.45Å; N774-Y777 WeakPolarHBondContact ND2-CE2 3.43Å; N774-Y777 PolarHBondContact O-N 3.3Å; N774-Y777 VanDerWaalsContact O-N 3.1Å
775	L	93	Very high	92	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.4	-176.9	-61.3	-176	0	0	0	114.1	L746 V747 N748 Y777 G779 P780 T803 W806	L746-L775 HydrophobicContact CB-CD1 4.42Å; L746-L775 HydrophobicContact CB-CD2 4.05Å; L746-L775 HydrophobicContact CB-CG 4.45Å; L746-L775 HydrophobicContact CD2-CD2 4.17Å; V747-L775 WeakPolarHBondContact O-CG 3.41Å; V747-L775 PolarHBondContact O-N 2.76Å; N748-L775 HydrophobicContact CB-CD1 3.99Å; L775-Y777 PolarHBondContact O-N 3.23Å; L775-G779 WeakPolarHBondContact CD2-O 3.21Å; L775-G779 VanDerWaalsContact O-CA 3.24Å; L775-G779 WeakPolarHBondContact O-CA 3.35Å; L775-G779 PolarHBondContact O-N 3.08Å; L775-P780 HydrophobicContact CD2-CB 4.23Å; L775-P780 HydrophobicContact CD2-CG 3.82Å; L775-T803 HydrophobicContact CD1-CG2 3.51Å; L775-W806 HydrophobicContact CB-CH2 4.48Å; L775-W806 HydrophobicContact CB-CZ3 4.03Å; L775-W806 HydrophobicContact CD1-CZ3 4.39Å
776	D	87.3	Confident	92.5	Very high	60 Å²	60	12.6 Å²	12.6	32%	0.321	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20	170.7	-74.2	-31.5	0	0	0	112.8	K750 N774	K750-D776 VanDerWaalsContact CE-OD1 3.29Å; K750-D776 WeakPolarHBondContact CE-OD1 3.26Å; K750-D776 IonicContact NZ-OD1 3.19Å; K750-D776 PolarHBondContact NZ-OD1 3.38Å; N774-D776 PolarHBondContact O-N 2.91Å; N774-D776 WeakPolarHBondContact OD1-CB 3.26Å; N774-D776 PolarHBondContact OD1-N 3.18Å
777	Y	86.9	Confident	93	Very high	60 Å²	60	11.1 Å²	11.1	24%	0.235	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	76.2	177.9	-59	-74.2	0	0	0	110.5	G407 C409 L724 M726 N774 L775	G407-Y777 WeakPolarHBondContact O-CE2 3.33Å; C409-Y777 PolarHBondContact SG-OH 3.06Å; L724-Y777 HydrophobicContact CD1-CD1 4.22Å; M726-Y777 VanDerWaalsContact SD-CB 3.59Å; N774-Y777 HydrophobicContact CB-CD2 3.95Å; N774-Y777 HydrophobicContact CB-CE2 4.45Å; N774-Y777 WeakPolarHBondContact ND2-CE2 3.43Å; N774-Y777 PolarHBondContact O-N 3.3Å; N774-Y777 VanDerWaalsContact O-N 3.1Å; L775-Y777 PolarHBondContact O-N 3.23Å
778	G	88.7	Confident	93.3	Very high	17 Å²	17	12.3 Å²	12.3	18%	0.175	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	8.3	173	0	0	0	0	0	115	P782	G778-P782 VanDerWaalsContact O-CD 3.24Å; G778-P782 WeakPolarHBondContact O-CD 3.49Å
779	G	93.1	Very high	93.3	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.021	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-153.2	177.7	0	0	0	0	0	113.7	L775 L781 P782 W806	L775-G779 WeakPolarHBondContact CD2-O 3.21Å; L775-G779 VanDerWaalsContact O-CA 3.24Å; L775-G779 WeakPolarHBondContact O-CA 3.35Å; L775-G779 PolarHBondContact O-N 3.08Å; G779-L781 VanDerWaalsContact C-N 3.28Å; G779-L781 PolarHBondContact O-N 2.84Å; G779-P782 WeakPolarHBondContact O-CD 3.36Å; G779-W806 VanDerWaalsContact CA-CZ2 3.42Å
780	P	96	Very high	93.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.4	-177.8	-24.6	35.7	0	0	0	114.1	L746 L775 G783 L784 W806 A807 C810	L746-P780 HydrophobicContact CD1-CB 3.96Å; L775-P780 HydrophobicContact CD2-CB 4.23Å; L775-P780 HydrophobicContact CD2-CG 3.82Å; P780-G783 PolarHBondContact O-N 3.18Å; P780-L784 HydrophobicContact CB-CD1 3.91Å; P780-L784 WeakPolarHBondContact O-CG 3.04Å; P780-L784 PolarHBondContact O-N 2.99Å; P780-W806 HydrophobicContact CG-CD2 3.98Å; P780-W806 HydrophobicContact CG-CE3 4.29Å; P780-W806 HydrophobicContact CG-CG 4.22Å; P780-A807 HydrophobicContact CB-CB 4.27Å; P780-A807 HydrophobicContact CG-CB 4.07Å; P780-C810 HydrophobicContact CB-CB 3.97Å; P780-C810 HydrophobicContact CG-CB 4.49Å
781	L	95.4	Very high	93.6	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-48.9	-169	-78.1	174.4	0	0	0	114.1	F656 Y690 F693 G779 G783 L784 H785 C810 V814	F656-L781 HydrophobicContact CE2-CB 3.98Å; F656-L781 HydrophobicContact CZ-CB 4.05Å; F656-L781 HydrophobicContact CZ-CD1 4.4Å; Y690-L781 HydrophobicContact CD1-CD2 4.14Å; Y690-L781 HydrophobicContact CD2-CD1 4.17Å; Y690-L781 HydrophobicContact CD2-CD2 4.33Å; Y690-L781 HydrophobicContact CE1-CD2 4.26Å; Y690-L781 HydrophobicContact CE2-CD2 4.41Å; Y690-L781 HydrophobicContact CG-CD1 4.2Å; Y690-L781 HydrophobicContact CG-CD2 4.17Å; F693-L781 HydrophobicContact CB-CD1 3.5Å; F693-L781 HydrophobicContact CD1-CD1 4.21Å; F693-L781 HydrophobicContact CD2-CD1 3.66Å; F693-L781 HydrophobicContact CD2-CD2 4.23Å; F693-L781 HydrophobicContact CD2-CG 4.37Å; F693-L781 HydrophobicContact CE2-CD1 4.34Å; F693-L781 HydrophobicContact CE2-CD2 4.22Å; F693-L781 HydrophobicContact CG-CD1 3.54Å; F693-L781 HydrophobicContact CG-CG 4.47Å; G779-L781 VanDerWaalsContact C-N 3.28Å; G779-L781 PolarHBondContact O-N 2.84Å; L781-G783 VanDerWaalsContact C-N 3.31Å; L781-G783 PolarHBondContact O-N 2.86Å; L781-L784 PolarHBondContact O-N 2.93Å; L781-H785 VanDerWaalsContact O-CB 3.23Å; L781-H785 WeakPolarHBondContact O-CB 3.4Å; L781-H785 PolarHBondContact O-N 3.3Å; L781-C810 HydrophobicContact CD2-CB 3.86Å; L781-C810 HydrophobicContact CG-CB 4.17Å; L781-V814 HydrophobicContact CD2-CG2 3.77Å
782	P	94.9	Very high	93.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-52.3	-47.7	177.5	-30.4	36.6	0	0	0	113	F656 M726 L728 F773 G778 G779 H785 C786	F656-P782 HydrophobicContact CD1-CG 3.95Å; F656-P782 HydrophobicContact CD2-CG 4.15Å; F656-P782 HydrophobicContact CE1-CG 3.87Å; F656-P782 HydrophobicContact CE2-CG 4.08Å; F656-P782 HydrophobicContact CG-CG 4.1Å; F656-P782 HydrophobicContact CZ-CG 3.94Å; M726-P782 HydrophobicContact SD-CG 4.41Å; L728-P782 HydrophobicContact CD2-CB 3.88Å; F773-P782 HydrophobicContact CD1-CB 4.09Å; F773-P782 HydrophobicContact CE1-CB 4.13Å; G778-P782 VanDerWaalsContact O-CD 3.24Å; G778-P782 WeakPolarHBondContact O-CD 3.49Å; G779-P782 WeakPolarHBondContact O-CD 3.36Å; P782-H785 PolarHBondContact O-N 3.37Å; P782-C786 PolarHBondContact O-N 3.4Å; P782-C786 PolarHBondContact O-SG 3.48Å
783	G	95.5	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-46.1	-179.5	0	0	0	0	0	112.7	P780 L781 C786 F787	P780-G783 PolarHBondContact O-N 3.18Å; L781-G783 VanDerWaalsContact C-N 3.31Å; L781-G783 PolarHBondContact O-N 2.86Å; G783-C786 PolarHBondContact O-N 2.74Å; G783-F787 WeakPolarHBondContact O-CD2 3.3Å; G783-F787 PolarHBondContact O-N 2.9Å; G783-F787 VanDerWaalsContact O-N 3.16Å
784	L	96.9	Very high	93.7	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-43.4	177.2	-68.9	170.7	0	0	0	111.7	L744 P780 L781 C786 F787 R788 I795 C810 L811 V814	L744-L784 HydrophobicContact CD2-CD2 3.96Å; L744-L784 HydrophobicContact CD2-CG 4.43Å; P780-L784 HydrophobicContact CB-CD1 3.91Å; P780-L784 WeakPolarHBondContact O-CG 3.04Å; P780-L784 PolarHBondContact O-N 2.99Å; L781-L784 PolarHBondContact O-N 2.93Å; L784-C786 PolarHBondContact O-N 3.44Å; L784-F787 PolarHBondContact O-N 3.19Å; L784-R788 PolarHBondContact O-N 3.41Å; L784-I795 HydrophobicContact CD2-CD1 3.76Å; L784-C810 HydrophobicContact CD1-CB 3.52Å; L784-L811 HydrophobicContact CD1-CB 4.19Å; L784-L811 HydrophobicContact CD2-CB 4.45Å; L784-L811 HydrophobicContact CD2-CD1 4.01Å; L784-V814 HydrophobicContact CB-CB 4.4Å; L784-V814 HydrophobicContact CB-CG1 4.3Å; L784-V814 HydrophobicContact CB-CG2 4.09Å
785	H	95	Very high	93.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-42.2	177.5	178.6	88.8	0	0	0	111.9	E687 Y690 L728 L781 P782 F787 R788	E687-H785 IonicContact OE2-CE1 3.99Å; E687-H785 IonicContact OE2-NE2 2.76Å; Y690-H785 AromaticContact CZ-ND1 3.92Å; Y690-H785 WeakPolarHBondContact OH-CB 3.36Å; Y690-H785 PolarHBondContact OH-ND1 3.49Å; L728-H785 VanDerWaalsContact CD1-CD2 3.42Å; L728-H785 WeakPolarHBondContact CD1-CD2 3.14Å; L781-H785 VanDerWaalsContact O-CB 3.23Å; L781-H785 WeakPolarHBondContact O-CB 3.4Å; L781-H785 PolarHBondContact O-N 3.3Å; P782-H785 PolarHBondContact O-N 3.37Å; H785-F787 VanDerWaalsContact C-N 3.3Å; H785-F787 PolarHBondContact O-N 2.84Å; H785-R788 PolarHBondContact CD2-NH1 3.34Å; H785-R788 VanDerWaalsContact CD2-NH1 3.26Å; H785-R788 PolarHBondContact CE1-NH1 2.96Å; H785-R788 PolarHBondContact ND1-NH1 2.85Å; H785-R788 VanDerWaalsContact ND1-NH1 3.17Å; H785-R788 PolarHBondContact NE2-NH1 3.48Å; H785-R788 VanDerWaalsContact O-CG 3.32Å; H785-R788 WeakPolarHBondContact O-CG 3.22Å; H785-R788 PolarHBondContact O-N 3.47Å; H785-R788 PolarHBondContact O-NH1 3.47Å
786	C	94.4	Very high	94	Very high	10 Å²	10	27.2 Å²	27.2	7%	0.068	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-34.5	177.4	-68.5	0	0	0	0	112.4	L731 F773 P782 G783 L784	L731-C786 WeakPolarHBondContact CD1-O 3.33Å; L731-C786 WeakPolarHBondContact CG-O 3.36Å; F773-C786 HydrophobicContact CZ-CB 4.38Å; P782-C786 PolarHBondContact O-N 3.4Å; P782-C786 PolarHBondContact O-SG 3.48Å; G783-C786 PolarHBondContact O-N 2.74Å; L784-C786 PolarHBondContact O-N 3.44Å
787	F	96.2	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-91.1	-8.6	-176.2	-82	-121.4	0	0	0	114	L388 L731 P742 L744 Q771 F773 G783 L784 H785 H789 L790 F793	L388-F787 HydrophobicContact CD2-CZ 4.37Å; L731-F787 HydrophobicContact CD1-CD1 4.46Å; L731-F787 HydrophobicContact CD1-CD2 3.67Å; L731-F787 HydrophobicContact CD1-CE2 3.78Å; L731-F787 HydrophobicContact CD1-CG 4.03Å; L731-F787 HydrophobicContact CD1-CZ 4.23Å; P742-F787 HydrophobicContact CB-CE1 4.07Å; L744-F787 HydrophobicContact CB-CD1 3.94Å; L744-F787 HydrophobicContact CB-CE1 3.85Å; L744-F787 HydrophobicContact CB-CG 4.35Å; L744-F787 HydrophobicContact CB-CZ 4.19Å; L744-F787 HydrophobicContact CD1-CD2 4.05Å; L744-F787 HydrophobicContact CD1-CE2 3.92Å; L744-F787 HydrophobicContact CD1-CZ 4.24Å; L744-F787 HydrophobicContact CD2-CG 4.38Å; Q771-F787 HydrophobicContact CG-CZ 4.18Å; F773-F787 HydrophobicContact CE2-CE2 4.31Å; G783-F787 WeakPolarHBondContact O-CD2 3.3Å; G783-F787 PolarHBondContact O-N 2.9Å; G783-F787 VanDerWaalsContact O-N 3.16Å; L784-F787 PolarHBondContact O-N 3.19Å; H785-F787 VanDerWaalsContact C-N 3.3Å; H785-F787 PolarHBondContact O-N 2.84Å; F787-H789 PolarHBondContact O-N 2.93Å; F787-L790 HydrophobicContact CB-CD1 4.44Å; F787-L790 HydrophobicContact CD1-CD1 3.61Å; F787-L790 HydrophobicContact CE1-CD1 4.07Å; F787-L790 HydrophobicContact CG-CD1 4.13Å; F787-L790 WeakPolarHBondContact O-CB 3.36Å; F787-L790 PolarHBondContact O-N 3.39Å; F787-F793 HydrophobicContact CB-CD2 4.27Å; F787-F793 HydrophobicContact CB-CE1 4.31Å; F787-F793 HydrophobicContact CB-CE2 4Å; F787-F793 HydrophobicContact CB-CZ 4.02Å; F787-F793 HydrophobicContact CD1-CB 4.09Å; F787-F793 AromaticContact CD1-CD2 3.73Å; F787-F793 HydrophobicContact CD1-CD2 3.73Å; F787-F793 HydrophobicContact CD1-CE2 4.26Å; F787-F793 AromaticContact CD1-CG 3.94Å; F787-F793 HydrophobicContact CD1-CG 3.94Å; F787-F793 HydrophobicContact CG-CD2 4.43Å
788	R	95.2	Very high	94.6	Very high	27 Å²	27	21.5 Å²	21.5	10%	0.102	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27	-170.3	79.7	-173.2	-174.1	-84	9	115.2	E687 L784 H785 L790 V814 A818 A819	E687-R788 IonicContact OE1-CZ 3.54Å; E687-R788 IonicContact OE1-NH1 3.56Å; E687-R788 IonicContact OE1-NH2 2.75Å; E687-R788 PolarHBondContact OE1-NH2 2.85Å; L784-R788 PolarHBondContact O-N 3.41Å; H785-R788 PolarHBondContact CD2-NH1 3.34Å; H785-R788 VanDerWaalsContact CD2-NH1 3.26Å; H785-R788 PolarHBondContact CE1-NH1 2.96Å; H785-R788 PolarHBondContact ND1-NH1 2.85Å; H785-R788 VanDerWaalsContact ND1-NH1 3.17Å; H785-R788 PolarHBondContact NE2-NH1 3.48Å; H785-R788 VanDerWaalsContact O-CG 3.32Å; H785-R788 WeakPolarHBondContact O-CG 3.22Å; H785-R788 PolarHBondContact O-N 3.47Å; H785-R788 PolarHBondContact O-NH1 3.47Å; R788-L790 VanDerWaalsContact C-N 3.35Å; R788-V814 HydrophobicContact CB-CG1 3.83Å; R788-A818 HydrophobicContact CB-CB 4.03Å; R788-A818 CarbonylContact O-C 3.33Å; R788-A818 WeakPolarHBondContact O-CA 3.5Å; R788-A819 PolarHBondContact O-N 3.28Å
789	H	94.1	Very high	94.7	Very high	95 Å²	95	20.7 Å²	20.7	44%	0.44	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.6	179.8	-62.2	-54.9	0	0	0	113.7	P733 F787	P733-H789 HydrophobicContact CG-CB 3.78Å; P733-H789 WeakPolarHBondContact CG-O 3.32Å; F787-H789 PolarHBondContact O-N 2.93Å
790	L	94.8	Very high	94.5	Very high	3 Å²	3	21 Å²	21	2%	0.016	10%	0.097	C	C	.	.			trans	-80.8	127.7	176.3	-60.4	-176.8	0	0	0	110.5	L731 P733 L736 P742 F787 R788 Q792 F793 C820	L731-L790 HydrophobicContact CD1-CD1 3.86Å; L731-L790 HydrophobicContact CD1-CG 4.26Å; P733-L790 HydrophobicContact CB-CD2 4.11Å; P733-L790 HydrophobicContact CG-CD2 4.13Å; L736-L790 HydrophobicContact CD2-CD2 4.06Å; P742-L790 HydrophobicContact CG-CD1 4.31Å; F787-L790 HydrophobicContact CB-CD1 4.44Å; F787-L790 HydrophobicContact CD1-CD1 3.61Å; F787-L790 HydrophobicContact CE1-CD1 4.07Å; F787-L790 HydrophobicContact CG-CD1 4.13Å; F787-L790 WeakPolarHBondContact O-CB 3.36Å; F787-L790 PolarHBondContact O-N 3.39Å; R788-L790 VanDerWaalsContact C-N 3.35Å; L790-Q792 VanDerWaalsContact C-N 3.27Å; L790-Q792 PolarHBondContact O-N 2.62Å; L790-F793 HydrophobicContact CB-CD1 4Å; L790-F793 HydrophobicContact CD1-CB 4.34Å; L790-C820 WeakPolarHBondContact O-CB 3.12Å
791	K	93.9	Very high	94.3	Very high	165 Å²	165	21.6 Å²	21.6	72%	0.717	10%	0.1	S	C	*	.	S	Bend	trans	-65.5	-30.1	178.6	-63	-179.9	-178.6	175.6	0	113	C820	K791-C820 WeakPolarHBondContact O-CB 3.3Å
792	Q	93.2	Very high	94.1	Very high	96 Å²	96	23.5 Å²	23.5	45%	0.449	12%	0.121	S	C	.	.	S	Bend	trans	-147.4	125.6	-178.9	-62.9	-174.4	-22.7	0	0	110.7	K741 L790	K741-Q792 HydrophobicContact CG-CB 4.15Å; L790-Q792 VanDerWaalsContact C-N 3.27Å; L790-Q792 PolarHBondContact O-N 2.62Å
793	F	95.8	Very high	94	Very high	7 Å²	7	24 Å²	24	3%	0.031	12%	0.123	C	C	.	.			trans	-156	165.9	172.4	67.3	-83.5	0	0	0	109.4	P742 L744 F787 L790 I795 C820 P823 P824	P742-F793 CarbonylContact O-C 3.54Å; P742-F793 WeakPolarHBondContact O-CA 3.38Å; P742-F793 VanDerWaalsContact O-CB 3.26Å; P742-F793 WeakPolarHBondContact O-CB 3.48Å; L744-F793 HydrophobicContact CB-CD2 4.36Å; L744-F793 HydrophobicContact CD2-CE2 4.34Å; F787-F793 HydrophobicContact CB-CD2 4.27Å; F787-F793 HydrophobicContact CB-CE1 4.31Å; F787-F793 HydrophobicContact CB-CE2 4Å; F787-F793 HydrophobicContact CB-CZ 4.02Å; F787-F793 HydrophobicContact CD1-CB 4.09Å; F787-F793 AromaticContact CD1-CD2 3.73Å; F787-F793 HydrophobicContact CD1-CD2 3.73Å; F787-F793 HydrophobicContact CD1-CE2 4.26Å; F787-F793 AromaticContact CD1-CG 3.94Å; F787-F793 HydrophobicContact CD1-CG 3.94Å; F787-F793 HydrophobicContact CG-CD2 4.43Å; L790-F793 HydrophobicContact CB-CD1 4Å; L790-F793 HydrophobicContact CD1-CB 4.34Å; F793-I795 HydrophobicContact CD2-CG1 4.1Å; F793-I795 HydrophobicContact CE2-CD1 3.94Å; F793-I795 HydrophobicContact CE2-CG1 3.71Å; F793-C820 HydrophobicContact CD1-CB 4.15Å; F793-C820 HydrophobicContact CE1-CB 3.85Å; F793-P823 HydrophobicContact CD1-CB 4.38Å; F793-P823 HydrophobicContact CD2-CB 4.08Å; F793-P823 HydrophobicContact CE1-CB 4.08Å; F793-P823 HydrophobicContact CE1-CG 4.27Å; F793-P823 HydrophobicContact CE2-CB 3.76Å; F793-P823 HydrophobicContact CE2-CG 3.84Å; F793-P823 HydrophobicContact CG-CB 4.39Å; F793-P823 HydrophobicContact CZ-CB 3.76Å; F793-P823 HydrophobicContact CZ-CG 3.62Å; F793-P824 WeakPolarHBondContact O-CD 3.42Å
794	K	95.1	Very high	94	Very high	19 Å²	19	24 Å²	24	8%	0.083	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.4	174.8	-54.4	-163.2	179.7	-164.2	0	109.8	P742 L743 L744 P824 V883 V884 L1105	P742-K794 PolarHBondContact O-N 3.47Å; L743-K794 CarbonylContact C-O 3.59Å; L743-K794 WeakPolarHBondContact CA-O 3.23Å; L743-K794 HydrophobicContact CD1-CB 3.89Å; L744-K794 PolarHBondContact N-O 2.8Å; K794-P824 HydrophobicContact CB-CG 4.43Å; K794-P824 HydrophobicContact CG-CG 3.99Å; K794-V883 HydrophobicContact CD-CG1 4.04Å; K794-V883 PolarHBondContact NZ-O 3.39Å; K794-V884 PolarHBondContact NZ-O 2.97Å; K794-V884 VanDerWaalsContact NZ-O 3.11Å; K794-L1105 HydrophobicContact CD-CD1 4.15Å
795	I	96.7	Very high	93.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.8	175.4	-55.8	177.3	0	0	0	109.5	L744 L746 L784 F793 V797 L811 P823 P824 M825 A826	L744-I795 HydrophobicContact CB-CG1 4.4Å; L744-I795 HydrophobicContact CD2-CG1 4.36Å; L744-I795 CarbonylContact O-C 3.6Å; L744-I795 WeakPolarHBondContact O-CA 3.23Å; L746-I795 HydrophobicContact CD1-CG2 4Å; L746-I795 HydrophobicContact CG-CG2 4.35Å; L784-I795 HydrophobicContact CD2-CD1 3.76Å; F793-I795 HydrophobicContact CD2-CG1 4.1Å; F793-I795 HydrophobicContact CE2-CD1 3.94Å; F793-I795 HydrophobicContact CE2-CG1 3.71Å; I795-V797 HydrophobicContact CG2-CG2 3.95Å; I795-L811 HydrophobicContact CD1-CD2 4.48Å; I795-P823 HydrophobicContact CD1-CB 4.17Å; I795-P823 HydrophobicContact CD1-CG 3.53Å; I795-P823 HydrophobicContact CG1-CB 4.24Å; I795-P823 HydrophobicContact CG1-CG 4.15Å; I795-P824 PolarHBondContact N-O 3.11Å; I795-M825 HydrophobicContact CB-CB 4.3Å; I795-M825 HydrophobicContact CB-CG 4.11Å; I795-M825 HydrophobicContact CD1-CE 4.18Å; I795-M825 HydrophobicContact CG2-CE 4.29Å; I795-M825 HydrophobicContact CG2-CG 4.11Å; I795-M825 CarbonylContact O-C 3.49Å; I795-M825 WeakPolarHBondContact O-CA 3.37Å; I795-A826 PolarHBondContact O-N 3.35Å
796	L	95.8	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.1	166.4	175.4	64.2	0	0	0	109.1	L743 L744 V745 L746 F763 A826 L828 V879 V883	L743-L796 HydrophobicContact CD1-CB 3.93Å; L743-L796 HydrophobicContact CD2-CB 4.33Å; L743-L796 HydrophobicContact CD2-CD2 4.43Å; L743-L796 HydrophobicContact CG-CB 4.37Å; L744-L796 PolarHBondContact O-N 3.43Å; V745-L796 WeakPolarHBondContact CA-O 3.14Å; V745-L796 HydrophobicContact CG1-CD2 4.45Å; L746-L796 PolarHBondContact N-O 3.34Å; F763-L796 HydrophobicContact CE1-CD2 3.72Å; F763-L796 HydrophobicContact CZ-CD2 3.51Å; L796-A826 WeakPolarHBondContact CA-O 3.16Å; L796-A826 HydrophobicContact CD1-CB 3.85Å; L796-L828 HydrophobicContact CD1-CB 4.21Å; L796-V879 HydrophobicContact CD2-CG2 4.36Å; L796-V883 HydrophobicContact CD1-CG2 4.49Å
797	V	94.6	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.2	175.7	-178	0	0	0	0	109.6	L746 I795 T803 V804 A807 M825 A826 I827 L828	L746-V797 HydrophobicContact CB-CG2 4.45Å; L746-V797 HydrophobicContact CD1-CG2 4.25Å; I795-V797 HydrophobicContact CG2-CG2 3.95Å; V797-T803 HydrophobicContact CG1-CG2 3.64Å; V797-V804 HydrophobicContact CB-CG2 4.21Å; V797-V804 HydrophobicContact CG1-CG2 3.97Å; V797-A807 HydrophobicContact CG2-CB 3.96Å; V797-M825 HydrophobicContact CG2-CE 4.3Å; V797-M825 HydrophobicContact CG2-CG 3.92Å; V797-M825 HydrophobicContact CG2-SD 3.59Å; V797-M825 VanDerWaalsContact CG2-SD 3.59Å; V797-A826 PolarHBondContact N-O 3.11Å; V797-I827 CarbonylContact O-C 3.53Å; V797-I827 WeakPolarHBondContact O-CA 3.24Å; V797-L828 PolarHBondContact O-N 3.06Å
798	C	91.6	Very high	94	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	98.5	173.6	-50.1	0	0	0	0	109.5	L746 V747 N748 L828 L830	L746-C798 PolarHBondContact O-N 3.44Å; V747-C798 HydrophobicContact CB-CB 4.34Å; V747-C798 HydrophobicContact CG1-CB 4.07Å; V747-C798 HydrophobicContact CG2-CB 4.2Å; N748-C798 PolarHBondContact N-O 3.39Å; C798-L828 WeakPolarHBondContact CA-O 3.21Å; C798-L828 HydrophobicContact CB-CB 4.11Å; C798-L828 HydrophobicContact CB-CD2 4.01Å; C798-L828 VanDerWaalsContact SG-CD2 3.59Å; C798-L830 HydrophobicContact CB-CD1 3.8Å
799	G	90.4	Very high	93.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-169.4	-172	0	0	0	0	0	112.5	L828 P829 L830	G799-L828 PolarHBondContact N-O 3.25Å; G799-L828 VanDerWaalsContact N-O 3.07Å; G799-P829 WeakPolarHBondContact O-CA 3.44Å; G799-L830 PolarHBondContact O-N 3.35Å
800	G	89.1	Confident	93.9	Very high	7 Å²	7	25.1 Å²	25.1	7%	0.072	14%	0.135	C	C	.	.			trans	-95.3	-173.7	167.3	0	0	0	0	0	112.3	G802 T803 V804	G800-G802 VanDerWaalsContact C-N 3.34Å; G800-G802 PolarHBondContact O-N 3.49Å; G800-T803 WeakPolarHBondContact O-CB 2.92Å; G800-T803 PolarHBondContact O-N 3Å; G800-V804 PolarHBondContact O-N 3.22Å
801	D	92	Very high	93.9	Very high	14 Å²	14	25.5 Å²	25.5	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-43.6	-178.6	-62.8	-35.1	0	0	0	112.8	T803 V804 G805 G833 N834 D835 L836 N933	D801-T803 VanDerWaalsContact C-N 3.27Å; D801-T803 PolarHBondContact O-N 3.18Å; D801-V804 WeakPolarHBondContact O-CA 3.49Å; D801-V804 WeakPolarHBondContact O-CB 3.41Å; D801-V804 PolarHBondContact O-N 2.96Å; D801-G805 PolarHBondContact O-N 2.68Å; D801-G833 VanDerWaalsContact CG-O 3.31Å; D801-G833 PolarHBondContact N-O 3.23Å; D801-G833 VanDerWaalsContact OD2-O 3.13Å; D801-N834 WeakPolarHBondContact OD1-CA 3.31Å; D801-N834 WeakPolarHBondContact OD2-CA 3.49Å; D801-N834 PolarHBondContact OD2-N 3.12Å; D801-D835 PolarHBondContact OD1-N 2.93Å; D801-D835 PolarHBondContact OD2-N 2.83Å; D801-L836 WeakPolarHBondContact OD1-CB 3.29Å; D801-L836 PolarHBondContact OD1-N 3.3Å; D801-L836 VanDerWaalsContact OD1-N 3.08Å; D801-N933 WeakPolarHBondContact CB-ND2 3.5Å
802	G	91.2	Very high	93.9	Very high	43 Å²	43	19.3 Å²	19.3	44%	0.443	11%	0.112	S	C	.	.	H	α-helix	trans	-62.3	-30.7	176.3	0	0	0	0	0	113.9	G800 W806	G800-G802 VanDerWaalsContact C-N 3.34Å; G800-G802 PolarHBondContact O-N 3.49Å; G802-W806 WeakPolarHBondContact O-CB 3.42Å; G802-W806 PolarHBondContact O-N 3.29Å
803	T	93	Very high	93.8	Very high	10 Å²	10	16.9 Å²	16.9	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-69.9	-36.9	173.2	-54.2	0	0	0	0	111.3	N748 L775 V797 G800 D801 A807	N748-T803 HydrophobicContact CB-CG2 3.82Å; N748-T803 PolarHBondContact ND2-OG1 3.1Å; L775-T803 HydrophobicContact CD1-CG2 3.51Å; V797-T803 HydrophobicContact CG1-CG2 3.64Å; G800-T803 WeakPolarHBondContact O-CB 2.92Å; G800-T803 PolarHBondContact O-N 3Å; D801-T803 VanDerWaalsContact C-N 3.27Å; D801-T803 PolarHBondContact O-N 3.18Å; T803-A807 WeakPolarHBondContact O-CB 3.26Å; T803-A807 PolarHBondContact O-N 2.97Å
804	V	95.1	Very high	93.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-67.9	-45.2	175.5	179.2	0	0	0	0	110.4	V797 G800 D801 W806 A807 L808 M825 I827 L836 M1104	V797-V804 HydrophobicContact CB-CG2 4.21Å; V797-V804 HydrophobicContact CG1-CG2 3.97Å; G800-V804 PolarHBondContact O-N 3.22Å; D801-V804 WeakPolarHBondContact O-CA 3.49Å; D801-V804 WeakPolarHBondContact O-CB 3.41Å; D801-V804 PolarHBondContact O-N 2.96Å; V804-W806 VanDerWaalsContact C-N 3.32Å; V804-W806 PolarHBondContact O-N 3Å; V804-A807 PolarHBondContact O-N 2.67Å; V804-L808 HydrophobicContact CG1-CD1 4.11Å; V804-L808 HydrophobicContact CG1-CG 4.38Å; V804-L808 WeakPolarHBondContact O-CB 3.24Å; V804-L808 WeakPolarHBondContact O-CG 3.44Å; V804-L808 PolarHBondContact O-N 3.28Å; V804-M825 HydrophobicContact CG1-SD 3.83Å; V804-I827 HydrophobicContact CG1-CD1 4.34Å; V804-I827 HydrophobicContact CG2-CD1 3.93Å; V804-I827 HydrophobicContact CG2-CG1 3.86Å; V804-I827 HydrophobicContact CG2-CG2 4.05Å; V804-L836 HydrophobicContact CB-CD2 4.47Å; V804-L836 HydrophobicContact CG1-CD2 3.76Å; V804-M1104 HydrophobicContact CG1-CE 4.12Å
805	G	94.8	Very high	93	Very high	16 Å²	16	16.3 Å²	16.3	17%	0.165	10%	0.103	C	C	.	.	H	α-helix	trans	-57.6	-43.4	174.2	0	0	0	0	0	112.4	D801 L808 S809	D801-G805 PolarHBondContact O-N 2.68Å; G805-L808 PolarHBondContact O-N 3.47Å; G805-S809 WeakPolarHBondContact O-CB 3.36Å; G805-S809 PolarHBondContact O-N 3.21Å
806	W	94.4	Very high	92.4	Very high	96 Å²	96	23.7 Å²	23.7	36%	0.364	14%	0.137	S	C	.	.	H	α-helix	trans	-61.1	-46.9	174.1	-177.3	25.3	0	0	0	112.4	L775 G779 P780 G802 V804 L808 S809 C810	L775-W806 HydrophobicContact CB-CH2 4.48Å; L775-W806 HydrophobicContact CB-CZ3 4.03Å; L775-W806 HydrophobicContact CD1-CZ3 4.39Å; G779-W806 VanDerWaalsContact CA-CZ2 3.42Å; P780-W806 HydrophobicContact CG-CD2 3.98Å; P780-W806 HydrophobicContact CG-CE3 4.29Å; P780-W806 HydrophobicContact CG-CG 4.22Å; G802-W806 WeakPolarHBondContact O-CB 3.42Å; G802-W806 PolarHBondContact O-N 3.29Å; V804-W806 VanDerWaalsContact C-N 3.32Å; V804-W806 PolarHBondContact O-N 3Å; W806-L808 VanDerWaalsContact C-N 3.33Å; W806-L808 PolarHBondContact O-N 3.2Å; W806-S809 PolarHBondContact O-N 2.77Å; W806-C810 PolarHBondContact O-N 3.45Å; W806-C810 PolarHBondContact O-SG 3Å; W806-C810 VanDerWaalsContact O-SG 3.34Å
807	A	96.2	Very high	91.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-39.5	177.1	0	0	0	0	0	112.7	L746 P780 V797 T803 V804 C810 L811 M825	L746-A807 HydrophobicContact CD1-CB 4.12Å; P780-A807 HydrophobicContact CB-CB 4.27Å; P780-A807 HydrophobicContact CG-CB 4.07Å; V797-A807 HydrophobicContact CG2-CB 3.96Å; T803-A807 WeakPolarHBondContact O-CB 3.26Å; T803-A807 PolarHBondContact O-N 2.97Å; V804-A807 PolarHBondContact O-N 2.67Å; A807-C810 PolarHBondContact O-N 3.08Å; A807-L811 WeakPolarHBondContact O-CB 3.49Å; A807-L811 PolarHBondContact O-N 3.15Å; A807-M825 HydrophobicContact CB-CE 4.21Å
808	L	96.1	Very high	91.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-43.5	175.6	-72.5	175	0	0	0	111.9	V804 G805 W806 C810 L811 D812 M825 A1102	V804-L808 HydrophobicContact CG1-CD1 4.11Å; V804-L808 HydrophobicContact CG1-CG 4.38Å; V804-L808 WeakPolarHBondContact O-CB 3.24Å; V804-L808 WeakPolarHBondContact O-CG 3.44Å; V804-L808 PolarHBondContact O-N 3.28Å; G805-L808 PolarHBondContact O-N 3.47Å; W806-L808 VanDerWaalsContact C-N 3.33Å; W806-L808 PolarHBondContact O-N 3.2Å; L808-C810 PolarHBondContact O-N 2.76Å; L808-L811 HydrophobicContact CD2-CD2 4.48Å; L808-L811 CarbonylContact O-C 3.6Å; L808-L811 WeakPolarHBondContact O-CB 3.39Å; L808-L811 PolarHBondContact O-N 3.22Å; L808-L811 VanDerWaalsContact O-N 3.12Å; L808-D812 PolarHBondContact O-N 3.43Å; L808-D812 VanDerWaalsContact O-OD2 3.09Å; L808-M825 HydrophobicContact CD2-CE 3.59Å; L808-M825 HydrophobicContact CD2-SD 4.13Å; L808-M825 HydrophobicContact CG-CE 4.08Å; L808-M825 HydrophobicContact CG-SD 4.29Å; L808-A1102 HydrophobicContact CD1-CB 4.37Å; L808-A1102 HydrophobicContact CD2-CB 3.65Å
809	S	93.5	Very high	91.8	Very high	48 Å²	48	33.2 Å²	33.2	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-61.6	-41.7	175.6	173.6	0	0	0	0	112.4	G805 W806 L811 D812 N813	G805-S809 WeakPolarHBondContact O-CB 3.36Å; G805-S809 PolarHBondContact O-N 3.21Å; W806-S809 PolarHBondContact O-N 2.77Å; S809-L811 VanDerWaalsContact C-N 3.32Å; S809-L811 PolarHBondContact O-N 3Å; S809-D812 PolarHBondContact O-N 2.94Å; S809-N813 PolarHBondContact O-N 2.85Å
810	C	95.3	Very high	91.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-39.4	172.5	-67	0	0	0	0	111.9	F693 P780 L781 L784 W806 A807 L808 N813 V814	F693-C810 VanDerWaalsContact CE1-SG 3.5Å; F693-C810 HydrophobicContact CZ-CB 4.24Å; F693-C810 WeakPolarHBondContact CZ-SG 3.34Å; P780-C810 HydrophobicContact CB-CB 3.97Å; P780-C810 HydrophobicContact CG-CB 4.49Å; L781-C810 HydrophobicContact CD2-CB 3.86Å; L781-C810 HydrophobicContact CG-CB 4.17Å; L784-C810 HydrophobicContact CD1-CB 3.52Å; W806-C810 PolarHBondContact O-N 3.45Å; W806-C810 PolarHBondContact O-SG 3Å; W806-C810 VanDerWaalsContact O-SG 3.34Å; A807-C810 PolarHBondContact O-N 3.08Å; L808-C810 PolarHBondContact O-N 2.76Å; C810-N813 PolarHBondContact O-N 3.22Å; C810-V814 WeakPolarHBondContact O-CG2 3.47Å; C810-V814 PolarHBondContact O-N 3.29Å
811	L	95	Very high	92	Very high	11 Å²	11	37 Å²	37	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-34.9	178.2	177.2	66	0	0	0	112	L784 I795 A807 L808 S809 N813 G815 P823 M825	L784-L811 HydrophobicContact CD1-CB 4.19Å; L784-L811 HydrophobicContact CD2-CB 4.45Å; L784-L811 HydrophobicContact CD2-CD1 4.01Å; I795-L811 HydrophobicContact CD1-CD2 4.48Å; A807-L811 WeakPolarHBondContact O-CB 3.49Å; A807-L811 PolarHBondContact O-N 3.15Å; L808-L811 HydrophobicContact CD2-CD2 4.48Å; L808-L811 CarbonylContact O-C 3.6Å; L808-L811 WeakPolarHBondContact O-CB 3.39Å; L808-L811 PolarHBondContact O-N 3.22Å; L808-L811 VanDerWaalsContact O-N 3.12Å; S809-L811 VanDerWaalsContact C-N 3.32Å; S809-L811 PolarHBondContact O-N 3Å; L811-N813 VanDerWaalsContact C-N 3.26Å; L811-N813 PolarHBondContact O-N 3.07Å; L811-G815 WeakPolarHBondContact O-CA 3.18Å; L811-G815 PolarHBondContact O-N 2.95Å; L811-P823 HydrophobicContact CD1-CG 3.86Å; L811-P823 HydrophobicContact CD2-CG 3.96Å; L811-M825 HydrophobicContact CD2-CE 4.49Å
812	D	92.9	Very high	92.1	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-39	175.5	-60.6	-41.2	0	0	0	111.5	L808 S809 R893 L1100	L808-D812 PolarHBondContact O-N 3.43Å; L808-D812 VanDerWaalsContact O-OD2 3.09Å; S809-D812 PolarHBondContact O-N 2.94Å; D812-R893 IonicContact OD1-NH1 3.8Å; D812-R893 PolarHBondContact OD1-NH1 3.42Å; D812-R893 IonicContact OD2-CZ 3.19Å; D812-R893 IonicContact OD2-NH1 2.79Å; D812-R893 PolarHBondContact OD2-NH1 2.85Å; D812-R893 IonicContact OD2-NH2 3.53Å; D812-R893 PolarHBondContact OD2-NH2 2.87Å; D812-L1100 HydrophobicContact CB-CD1 4.31Å; D812-L1100 HydrophobicContact CB-CD2 4.34Å
813	N	90.4	Very high	92.3	Very high	45 Å²	45	36.9 Å²	36.9	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-73.8	-47.5	178.5	-90.3	-44.1	0	0	0	112.5	D692 F693 S809 C810 L811 G815	D692-N813 PolarHBondContact OD2-ND2 2.9Å; D692-N813 PolarHBondContact OD2-OD1 3.35Å; F693-N813 HydrophobicContact CE2-CB 4.14Å; F693-N813 VanDerWaalsContact CE2-ND2 3.27Å; F693-N813 WeakPolarHBondContact CE2-ND2 3.26Å; S809-N813 PolarHBondContact O-N 2.85Å; C810-N813 PolarHBondContact O-N 3.22Å; L811-N813 VanDerWaalsContact C-N 3.26Å; L811-N813 PolarHBondContact O-N 3.07Å; N813-G815 VanDerWaalsContact C-N 3.3Å; N813-G815 PolarHBondContact O-N 2.78Å
814	V	91.6	Very high	92.4	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-70.1	-31	177.6	178.8	0	0	0	0	111.7	Y690 L781 L784 R788 C810 Q816 D817 A818	Y690-V814 HydrophobicContact CE1-CG2 3.69Å; L781-V814 HydrophobicContact CD2-CG2 3.77Å; L784-V814 HydrophobicContact CB-CB 4.4Å; L784-V814 HydrophobicContact CB-CG1 4.3Å; L784-V814 HydrophobicContact CB-CG2 4.09Å; R788-V814 HydrophobicContact CB-CG1 3.83Å; C810-V814 WeakPolarHBondContact O-CG2 3.47Å; C810-V814 PolarHBondContact O-N 3.29Å; V814-Q816 VanDerWaalsContact C-N 3.25Å; V814-Q816 PolarHBondContact O-N 2.86Å; V814-D817 PolarHBondContact O-N 3.33Å; V814-A818 PolarHBondContact O-N 3.12Å
815	G	82.6	Confident	92.4	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-21.7	-172	0	0	0	0	0	114.5	L811 N813 D817 A818	L811-G815 WeakPolarHBondContact O-CA 3.18Å; L811-G815 PolarHBondContact O-N 2.95Å; N813-G815 VanDerWaalsContact C-N 3.3Å; N813-G815 PolarHBondContact O-N 2.78Å; G815-D817 PolarHBondContact O-N 3.09Å; G815-A818 PolarHBondContact O-N 3.24Å
816	Q	84.7	Confident	92.4	Very high	155 Å²	155	36.6 Å²	36.6	72%	0.724	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-36.2	177.9	-62.1	-178.3	7	0	0	112	V814	V814-Q816 VanDerWaalsContact C-N 3.25Å; V814-Q816 PolarHBondContact O-N 2.86Å
817	D	85.1	Confident	92.3	Very high	127 Å²	127	32 Å²	32	68%	0.679	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	5.5	180	-61.7	-34.9	0	0	0	113	V814 G815	V814-D817 PolarHBondContact O-N 3.33Å; G815-D817 PolarHBondContact O-N 3.09Å
818	A	91.4	Very high	92	Very high	16 Å²	16	32.1 Å²	32.1	13%	0.132	19%	0.191	C	C	.	.			trans	-85.2	139.4	-175.6	0	0	0	0	0	112.3	R788 V814 G815 C820	R788-A818 HydrophobicContact CB-CB 4.03Å; R788-A818 CarbonylContact O-C 3.33Å; R788-A818 WeakPolarHBondContact O-CA 3.5Å; V814-A818 PolarHBondContact O-N 3.12Å; G815-A818 PolarHBondContact O-N 3.24Å; A818-C820 PolarHBondContact O-N 3.16Å
819	A	93.4	Very high	91.6	Very high	56 Å²	56	32.2 Å²	32.2	46%	0.463	19%	0.192	S	C	.	.	S	Bend	trans	-62.2	-23.2	172	0	0	0	0	0	112.9	R788	R788-A819 PolarHBondContact O-N 3.28Å
820	C	93	Very high	91.2	Very high	20 Å²	20	30 Å²	30	14%	0.135	18%	0.176	C	C	.	.	S	Bend	trans	-128.5	96.9	170.8	-167.8	0	0	0	0	108.9	L790 K791 F793 A818 P823	L790-C820 WeakPolarHBondContact O-CB 3.12Å; K791-C820 WeakPolarHBondContact O-CB 3.3Å; F793-C820 HydrophobicContact CD1-CB 4.15Å; F793-C820 HydrophobicContact CE1-CB 3.85Å; A818-C820 PolarHBondContact O-N 3.16Å; C820-P823 WeakPolarHBondContact O-CD 3.45Å
821	P	91.1	Very high	90.2	Very high	67 Å²	67	30.4 Å²	30.4	44%	0.435	18%	0.18	S	C	.	.	S	Bend	trans	-75.4	-27.9	-176	26.9	-34.5	0	0	0	113.4	P823	P821-P823 VanDerWaalsContact C-CD 3.4Å; P821-P823 WeakPolarHBondContact O-CD 3.5Å
822	T	92.7	Very high	89.4	Confident	53 Å²	53	31.3 Å²	31.3	33%	0.325	19%	0.186	S	C	.	.	S	Bend	trans	-126.4	61.9	-178.6	65.3	0	0	0	0	112.7	T1103	T822-T1103 PolarHBondContact O-OG1 2.88Å
823	P	95.5	Very high	88.7	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.013	19%	0.193	C	C	.	.			trans	-60.4	138.3	175.8	27.6	-37.3	0	0	0	110.8	F793 I795 L811 C820 P821 M825	F793-P823 HydrophobicContact CD1-CB 4.38Å; F793-P823 HydrophobicContact CD2-CB 4.08Å; F793-P823 HydrophobicContact CE1-CB 4.08Å; F793-P823 HydrophobicContact CE1-CG 4.27Å; F793-P823 HydrophobicContact CE2-CB 3.76Å; F793-P823 HydrophobicContact CE2-CG 3.84Å; F793-P823 HydrophobicContact CG-CB 4.39Å; F793-P823 HydrophobicContact CZ-CB 3.76Å; F793-P823 HydrophobicContact CZ-CG 3.62Å; I795-P823 HydrophobicContact CD1-CB 4.17Å; I795-P823 HydrophobicContact CD1-CG 3.53Å; I795-P823 HydrophobicContact CG1-CB 4.24Å; I795-P823 HydrophobicContact CG1-CG 4.15Å; L811-P823 HydrophobicContact CD1-CG 3.86Å; L811-P823 HydrophobicContact CD2-CG 3.96Å; C820-P823 WeakPolarHBondContact O-CD 3.45Å; P821-P823 VanDerWaalsContact C-CD 3.4Å; P821-P823 WeakPolarHBondContact O-CD 3.5Å; P823-M825 PolarHBondContact O-N 2.88Å
824	P	95.4	Very high	88.7	Confident	19 Å²	19	29 Å²	29	12%	0.123	18%	0.181	C	C	.	.			trans	-64.4	129.2	179.1	26.4	-36.1	0	0	0	112.2	F793 K794 I795 T1103 L1105	F793-P824 WeakPolarHBondContact O-CD 3.42Å; K794-P824 HydrophobicContact CB-CG 4.43Å; K794-P824 HydrophobicContact CG-CG 3.99Å; I795-P824 PolarHBondContact N-O 3.11Å; P824-T1103 CarbonylContact C-O 3.57Å; P824-T1103 VanDerWaalsContact CA-O 3.31Å; P824-T1103 WeakPolarHBondContact CA-O 3.35Å; P824-T1103 HydrophobicContact CB-CG2 3.95Å; P824-L1105 HydrophobicContact CB-CD1 4.24Å; P824-L1105 HydrophobicContact CB-CD2 3.79Å; P824-L1105 HydrophobicContact CB-CG 3.83Å
825	M	96.2	Very high	88.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.5	-174.6	-172.5	-176.5	-64.8	0	0	113.2	I795 V797 V804 A807 L808 L811 P823 T1103 M1104 L1105	I795-M825 HydrophobicContact CB-CB 4.3Å; I795-M825 HydrophobicContact CB-CG 4.11Å; I795-M825 HydrophobicContact CD1-CE 4.18Å; I795-M825 HydrophobicContact CG2-CE 4.29Å; I795-M825 HydrophobicContact CG2-CG 4.11Å; I795-M825 CarbonylContact O-C 3.49Å; I795-M825 WeakPolarHBondContact O-CA 3.37Å; V797-M825 HydrophobicContact CG2-CE 4.3Å; V797-M825 HydrophobicContact CG2-CG 3.92Å; V797-M825 HydrophobicContact CG2-SD 3.59Å; V797-M825 VanDerWaalsContact CG2-SD 3.59Å; V804-M825 HydrophobicContact CG1-SD 3.83Å; A807-M825 HydrophobicContact CB-CE 4.21Å; L808-M825 HydrophobicContact CD2-CE 3.59Å; L808-M825 HydrophobicContact CD2-SD 4.13Å; L808-M825 HydrophobicContact CG-CE 4.08Å; L808-M825 HydrophobicContact CG-SD 4.29Å; L811-M825 HydrophobicContact CD2-CE 4.49Å; P823-M825 PolarHBondContact O-N 2.88Å; M825-T1103 PolarHBondContact N-O 2.9Å; M825-M1104 HydrophobicContact CB-CE 4.1Å; M825-M1104 HydrophobicContact CB-SD 4.07Å; M825-M1104 HydrophobicContact CG-CE 4.22Å; M825-M1104 CarbonylContact O-C 3.58Å; M825-M1104 WeakPolarHBondContact O-CA 3.25Å; M825-M1104 HydrophobicContact SD-CE 4.21Å; M825-L1105 PolarHBondContact O-N 3.05Å
826	A	93.7	Very high	89.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	159.8	170.1	0	0	0	0	0	111.5	I795 L796 V797 W842 V883 L1105	I795-A826 PolarHBondContact O-N 3.35Å; L796-A826 WeakPolarHBondContact CA-O 3.16Å; L796-A826 HydrophobicContact CD1-CB 3.85Å; V797-A826 PolarHBondContact N-O 3.11Å; A826-W842 HydrophobicContact CB-CH2 3.87Å; A826-W842 HydrophobicContact CB-CZ2 3.47Å; A826-W842 VanDerWaalsContact CB-CZ2 3.47Å; A826-V883 HydrophobicContact CB-CG1 4.47Å; A826-V883 HydrophobicContact CB-CG2 3.77Å; A826-L1105 HydrophobicContact CB-CB 4.02Å; A826-L1105 HydrophobicContact CB-CD1 3.8Å; A826-L1105 HydrophobicContact CB-CG 4.49Å
827	I	91.8	Very high	89.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.4	-177.5	-52.7	170.4	0	0	0	109.6	V797 V804 L836 A837 L840 W842 M1104	V797-I827 CarbonylContact O-C 3.53Å; V797-I827 WeakPolarHBondContact O-CA 3.24Å; V804-I827 HydrophobicContact CG1-CD1 4.34Å; V804-I827 HydrophobicContact CG2-CD1 3.93Å; V804-I827 HydrophobicContact CG2-CG1 3.86Å; V804-I827 HydrophobicContact CG2-CG2 4.05Å; I827-L836 HydrophobicContact CD1-CB 4.04Å; I827-L836 HydrophobicContact CD1-CD2 3.76Å; I827-L836 HydrophobicContact CD1-CG 3.67Å; I827-A837 HydrophobicContact CB-CB 4.3Å; I827-A837 HydrophobicContact CD1-CB 4.49Å; I827-A837 HydrophobicContact CG2-CB 3.94Å; I827-L840 HydrophobicContact CD1-CD1 3.9Å; I827-W842 WeakPolarHBondContact O-CB 3.33Å; I827-W842 VanDerWaalsContact O-CG 3.25Å; I827-M1104 HydrophobicContact CD1-CE 4.01Å; I827-M1104 HydrophobicContact CG1-CE 4.25Å
828	L	90.3	Very high	89.9	Confident	4 Å²	4	17.3 Å²	17.3	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.3	162	-178.8	72.2	0	0	0	108	L759 L796 V797 C798 G799 L830 Y846 I878	L759-L828 HydrophobicContact CD1-CD2 3.66Å; L759-L828 HydrophobicContact CD2-CD2 4Å; L759-L828 HydrophobicContact CG-CD2 4.47Å; L796-L828 HydrophobicContact CD1-CB 4.21Å; V797-L828 PolarHBondContact O-N 3.06Å; C798-L828 WeakPolarHBondContact CA-O 3.21Å; C798-L828 HydrophobicContact CB-CB 4.11Å; C798-L828 HydrophobicContact CB-CD2 4.01Å; C798-L828 VanDerWaalsContact SG-CD2 3.59Å; G799-L828 PolarHBondContact N-O 3.25Å; G799-L828 VanDerWaalsContact N-O 3.07Å; L828-L830 PolarHBondContact O-N 3.23Å; L828-Y846 HydrophobicContact CD1-CD2 3.83Å; L828-Y846 HydrophobicContact CD1-CE2 4.46Å; L828-Y846 HydrophobicContact CD1-CG 4.35Å; L828-I878 HydrophobicContact CD1-CD1 3.55Å
829	P	88.8	Confident	89.9	Confident	4 Å²	4	18.1 Å²	18.1	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	94.9	-166.5	28.8	-34.8	0	0	0	112.1	G799 N834 A837 G845 Y846	G799-P829 WeakPolarHBondContact O-CA 3.44Å; P829-N834 HydrophobicContact CB-CB 3.84Å; P829-N834 VanDerWaalsContact CB-CG 3.47Å; P829-A837 HydrophobicContact CB-CB 3.73Å; P829-A837 HydrophobicContact CG-CB 4.22Å; P829-G845 CarbonylContact O-C 3.55Å; P829-G845 VanDerWaalsContact O-CA 3.24Å; P829-G845 WeakPolarHBondContact O-CA 2.92Å; P829-Y846 PolarHBondContact O-N 2.61Å
830	L	83.3	Confident	89.9	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.005	10%	0.099	C	C	.	.			trans	-93.4	-18.9	175	-62.8	174.9	0	0	0	112.6	G752 L759 C798 G799 L828 Y846	G752-L830 WeakPolarHBondContact CA-O 3.13Å; G752-L830 PolarHBondContact N-O 3.24Å; L759-L830 HydrophobicContact CD1-CD1 3.63Å; L759-L830 HydrophobicContact CD1-CD2 3.71Å; L759-L830 HydrophobicContact CD1-CG 4.21Å; C798-L830 HydrophobicContact CB-CD1 3.8Å; G799-L830 PolarHBondContact O-N 3.35Å; L828-L830 PolarHBondContact O-N 3.23Å; L830-Y846 HydrophobicContact CD2-CD1 3.77Å; L830-Y846 HydrophobicContact CD2-CG 4.11Å
831	G	75.2	Confident	89.7	Confident	8 Å²	8	20.3 Å²	20.3	8%	0.082	11%	0.114	C	C	.	.	S	Bend	trans	-73.5	179.3	-174	0	0	0	0	0	115.3	N834 R961	G831-N834 WeakPolarHBondContact CA-OD1 3.27Å; G831-N834 PolarHBondContact N-OD1 3.29Å; G831-N834 VanDerWaalsContact N-OD1 3.13Å; G831-N834 PolarHBondContact O-ND2 3.14Å; G831-R961 WeakPolarHBondContact O-CD 3.47Å
832	T	77.8	Confident	89.5	Confident	30 Å²	30	18.3 Å²	18.3	18%	0.184	10%	0.098	C	C	.	.	S	Bend	trans	-86.2	-44.8	167.4	-49.4	0	0	0	0	110.2	N964 K965	T832-N964 HydrophobicContact CG2-CB 3.89Å; T832-N964 PolarHBondContact OG1-ND2 3.46Å; T832-N964 VanDerWaalsContact OG1-ND2 3.12Å; T832-K965 HydrophobicContact CG2-CG 4.23Å
833	G	79.4	Confident	89.1	Confident	31 Å²	31	17.2 Å²	17.2	32%	0.32	10%	0.097	S	C	.	.			trans	-86	107.9	166	0	0	0	0	0	110.5	D801	D801-G833 VanDerWaalsContact CG-O 3.31Å; D801-G833 PolarHBondContact N-O 3.23Å; D801-G833 VanDerWaalsContact OD2-O 3.13Å
834	N	88.9	Confident	88.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.			trans	-131.7	34.3	-178.3	-64.5	-41.6	0	0	0	109.5	D801 P829 G831 L836 A837 R838 S844	D801-N834 WeakPolarHBondContact OD1-CA 3.31Å; D801-N834 WeakPolarHBondContact OD2-CA 3.49Å; D801-N834 PolarHBondContact OD2-N 3.12Å; P829-N834 HydrophobicContact CB-CB 3.84Å; P829-N834 VanDerWaalsContact CB-CG 3.47Å; G831-N834 WeakPolarHBondContact CA-OD1 3.27Å; G831-N834 PolarHBondContact N-OD1 3.29Å; G831-N834 VanDerWaalsContact N-OD1 3.13Å; G831-N834 PolarHBondContact O-ND2 3.14Å; N834-L836 VanDerWaalsContact C-N 3.31Å; N834-L836 PolarHBondContact O-N 3.48Å; N834-A837 HydrophobicContact CB-CB 4.11Å; N834-A837 WeakPolarHBondContact O-CB 3.35Å; N834-A837 PolarHBondContact O-N 2.74Å; N834-R838 WeakPolarHBondContact O-CG 3.28Å; N834-R838 PolarHBondContact O-N 2.67Å; N834-R838 PolarHBondContact O-NH1 3.09Å; N834-S844 PolarHBondContact ND2-O 3.19Å
835	D	93	Very high	87.6	Confident	2 Å²	2	20 Å²	20	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-40.4	-173.9	-70.7	-51.2	0	0	0	111.3	D801 A837 R838 V839 I1011 S1013 A1016 G1017	D801-D835 PolarHBondContact OD1-N 2.93Å; D801-D835 PolarHBondContact OD2-N 2.83Å; D835-A837 VanDerWaalsContact C-N 3.34Å; D835-A837 PolarHBondContact O-N 2.98Å; D835-R838 WeakPolarHBondContact O-CB 3.49Å; D835-R838 PolarHBondContact O-N 3.3Å; D835-R838 IonicContact OD1-NH1 3.91Å; D835-R838 PolarHBondContact OD1-NH1 3.35Å; D835-V839 WeakPolarHBondContact O-CG2 3.5Å; D835-V839 PolarHBondContact O-N 2.9Å; D835-V839 VanDerWaalsContact O-N 3.09Å; D835-I1011 HydrophobicContact CB-CD1 3.96Å; D835-S1013 WeakPolarHBondContact CB-OG 3.05Å; D835-S1013 PolarHBondContact OD1-OG 2.98Å; D835-A1016 WeakPolarHBondContact OD1-CA 3.34Å; D835-A1016 PolarHBondContact OD1-N 2.93Å; D835-A1016 PolarHBondContact OD2-N 3.16Å; D835-G1017 PolarHBondContact OD1-N 3.33Å
836	L	93.2	Very high	86.5	Confident	2 Å²	2	20.9 Å²	20.9	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-41.2	175	-170.6	58.5	0	0	0	111.2	D801 V804 I827 N834 R838 V839 L840 L891 I1011 M1104	D801-L836 WeakPolarHBondContact OD1-CB 3.29Å; D801-L836 PolarHBondContact OD1-N 3.3Å; D801-L836 VanDerWaalsContact OD1-N 3.08Å; V804-L836 HydrophobicContact CB-CD2 4.47Å; V804-L836 HydrophobicContact CG1-CD2 3.76Å; I827-L836 HydrophobicContact CD1-CB 4.04Å; I827-L836 HydrophobicContact CD1-CD2 3.76Å; I827-L836 HydrophobicContact CD1-CG 3.67Å; N834-L836 VanDerWaalsContact C-N 3.31Å; N834-L836 PolarHBondContact O-N 3.48Å; L836-R838 VanDerWaalsContact C-N 3.33Å; L836-R838 PolarHBondContact O-N 2.78Å; L836-V839 PolarHBondContact O-N 3.04Å; L836-L840 HydrophobicContact CD1-CD1 4.07Å; L836-L840 HydrophobicContact CD1-CG 4.35Å; L836-L840 HydrophobicContact CG-CD1 3.91Å; L836-L840 VanDerWaalsContact O-CB 3.31Å; L836-L840 WeakPolarHBondContact O-CB 3.47Å; L836-L840 VanDerWaalsContact O-CG 3.27Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 3.17Å; L836-L891 HydrophobicContact CD1-CD1 4.29Å; L836-L891 HydrophobicContact CD1-CD2 4.11Å; L836-L891 HydrophobicContact CD2-CD2 4.27Å; L836-I1011 HydrophobicContact CB-CD1 4.33Å; L836-I1011 HydrophobicContact CD1-CD1 4.4Å; L836-I1011 HydrophobicContact CD1-CG2 4.26Å; L836-M1104 HydrophobicContact CD2-CE 3.99Å
837	A	92.2	Very high	84.9	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-35.5	176.1	0	0	0	0	0	112.6	I827 P829 N834 D835 L840 R841 W842 G843	I827-A837 HydrophobicContact CB-CB 4.3Å; I827-A837 HydrophobicContact CD1-CB 4.49Å; I827-A837 HydrophobicContact CG2-CB 3.94Å; P829-A837 HydrophobicContact CB-CB 3.73Å; P829-A837 HydrophobicContact CG-CB 4.22Å; N834-A837 HydrophobicContact CB-CB 4.11Å; N834-A837 WeakPolarHBondContact O-CB 3.35Å; N834-A837 PolarHBondContact O-N 2.74Å; D835-A837 VanDerWaalsContact C-N 3.34Å; D835-A837 PolarHBondContact O-N 2.98Å; A837-L840 CarbonylContact O-C 3.45Å; A837-R841 CarbonylContact O-C 3.58Å; A837-R841 PolarHBondContact O-N 3.18Å; A837-W842 HydrophobicContact CB-CB 4.08Å; A837-W842 PolarHBondContact O-N 3.27Å; A837-G843 PolarHBondContact O-N 2.73Å
838	R	91.5	Very high	83.2	Confident	48 Å²	48	25.1 Å²	25.1	18%	0.181	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-49.1	175	-72	178	-173.9	87.4	0.4	111.5	N834 D835 L836 L840 R841 A1016	N834-R838 WeakPolarHBondContact O-CG 3.28Å; N834-R838 PolarHBondContact O-N 2.67Å; N834-R838 PolarHBondContact O-NH1 3.09Å; D835-R838 WeakPolarHBondContact O-CB 3.49Å; D835-R838 PolarHBondContact O-N 3.3Å; D835-R838 IonicContact OD1-NH1 3.91Å; D835-R838 PolarHBondContact OD1-NH1 3.35Å; L836-R838 VanDerWaalsContact C-N 3.33Å; L836-R838 PolarHBondContact O-N 2.78Å; R838-L840 VanDerWaalsContact C-N 3.3Å; R838-L840 PolarHBondContact O-N 3.41Å; R838-R841 WeakPolarHBondContact O-CA 3.11Å; R838-R841 PolarHBondContact O-N 3.24Å; R838-A1016 PolarHBondContact NE-O 3.19Å; R838-A1016 VanDerWaalsContact NH2-C 3.33Å; R838-A1016 PolarHBondContact NH2-O 2.93Å
839	V	92.1	Very high	81	Confident	32 Å²	32	27.9 Å²	27.9	19%	0.194	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-39.5	179.9	173.7	0	0	0	0	111.2	D835 L836 R841 I1011 S1013	D835-V839 WeakPolarHBondContact O-CG2 3.5Å; D835-V839 PolarHBondContact O-N 2.9Å; D835-V839 VanDerWaalsContact O-N 3.09Å; L836-V839 PolarHBondContact O-N 3.04Å; V839-R841 PolarHBondContact O-N 2.93Å; V839-I1011 HydrophobicContact CG2-CB 4.13Å; V839-I1011 HydrophobicContact CG2-CD1 4.3Å; V839-I1011 HydrophobicContact CG2-CG1 4.44Å; V839-S1013 VanDerWaalsContact CG2-CB 3.46Å
840	L	92.2	Very high	78.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.3	175.4	-63.7	176.5	0	0	0	114.1	I827 L836 A837 R838 W842 I889 M1104 K1106 K1107	I827-L840 HydrophobicContact CD1-CD1 3.9Å; L836-L840 HydrophobicContact CD1-CD1 4.07Å; L836-L840 HydrophobicContact CD1-CG 4.35Å; L836-L840 HydrophobicContact CG-CD1 3.91Å; L836-L840 VanDerWaalsContact O-CB 3.31Å; L836-L840 WeakPolarHBondContact O-CB 3.47Å; L836-L840 VanDerWaalsContact O-CG 3.27Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 3.17Å; A837-L840 CarbonylContact O-C 3.45Å; R838-L840 VanDerWaalsContact C-N 3.3Å; R838-L840 PolarHBondContact O-N 3.41Å; L840-W842 VanDerWaalsContact C-N 3.32Å; L840-W842 PolarHBondContact O-N 2.97Å; L840-I889 HydrophobicContact CD2-CG2 3.56Å; L840-M1104 HydrophobicContact CD1-CB 3.75Å; L840-M1104 HydrophobicContact CD1-CE 3.85Å; L840-M1104 HydrophobicContact CD1-CG 4.2Å; L840-M1104 HydrophobicContact CD2-CB 4.04Å; L840-K1106 HydrophobicContact CD2-CB 4.28Å; L840-K1106 WeakPolarHBondContact O-CA 2.93Å; L840-K1107 PolarHBondContact O-N 2.69Å
841	R	88.8	Confident	76.6	Confident	123 Å²	123	38.9 Å²	38.9	46%	0.464	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	22.7	175.9	-54.6	177.4	173.8	169	-1	115.7	A837 R838 V839 G843 K1107	A837-R841 CarbonylContact O-C 3.58Å; A837-R841 PolarHBondContact O-N 3.18Å; R838-R841 WeakPolarHBondContact O-CA 3.11Å; R838-R841 PolarHBondContact O-N 3.24Å; V839-R841 PolarHBondContact O-N 2.93Å; R841-G843 VanDerWaalsContact C-N 3.3Å; R841-K1107 HydrophobicContact CB-CB 4.16Å; R841-K1107 WeakPolarHBondContact O-CD 3.22Å
842	W	87.8	Confident	74.7	Confident	24 Å²	24	42 Å²	42	9%	0.091	25%	0.252	C	S	.	.	S	Bend	trans	-77.1	-16.2	171.4	-67.8	105	0	0	0	113.4	A826 I827 A837 L840 I878 D882 V883 A886 L1105 K1107	A826-W842 HydrophobicContact CB-CH2 3.87Å; A826-W842 HydrophobicContact CB-CZ2 3.47Å; A826-W842 VanDerWaalsContact CB-CZ2 3.47Å; I827-W842 WeakPolarHBondContact O-CB 3.33Å; I827-W842 VanDerWaalsContact O-CG 3.25Å; A837-W842 HydrophobicContact CB-CB 4.08Å; A837-W842 PolarHBondContact O-N 3.27Å; L840-W842 VanDerWaalsContact C-N 3.32Å; L840-W842 PolarHBondContact O-N 2.97Å; W842-I878 HydrophobicContact CZ3-CG2 4.23Å; W842-D882 HydrophobicContact CH2-CB 3.85Å; W842-D882 HydrophobicContact CZ3-CB 3.54Å; W842-V883 HydrophobicContact CH2-CB 4.4Å; W842-V883 HydrophobicContact CH2-CG2 3.55Å; W842-V883 HydrophobicContact CZ2-CG2 4.42Å; W842-V883 HydrophobicContact CZ3-CG2 4.07Å; W842-A886 HydrophobicContact CZ2-CB 4.37Å; W842-L1105 HydrophobicContact CZ2-CB 4.03Å; W842-L1105 PolarHBondContact NE1-O 3.31Å; W842-K1107 HydrophobicContact CD2-CB 4.39Å; W842-K1107 HydrophobicContact CE3-CD 4.28Å; W842-K1107 HydrophobicContact CZ3-CD 4.44Å
843	G	83.8	Confident	72.4	Confident	30 Å²	30	47 Å²	47	31%	0.309	28%	0.277	S	S	.	.			trans	112.3	169.7	174.6	0	0	0	0	0	113.1	A837 R841 G845	A837-G843 PolarHBondContact O-N 2.73Å; R841-G843 VanDerWaalsContact C-N 3.3Å; G843-G845 VanDerWaalsContact C-N 3.27Å
844	S	82	Confident	70.4	Confident	71 Å²	71	50.2 Å²	50.2	50%	0.497	29%	0.29	S	S	.	.	S	Bend	trans	-78.1	-14.2	-179.7	57.9	0	0	0	0	113.1	N834	N834-S844 PolarHBondContact ND2-O 3.19Å
845	G	77.5	Confident	68	Low	8 Å²	8	52.4 Å²	52.4	8%	0.082	30%	0.301	C	S	.	.			trans	164.6	154.6	174.5	0	0	0	0	0	113.4	P829 G843 T847	P829-G845 CarbonylContact O-C 3.55Å; P829-G845 VanDerWaalsContact O-CA 3.24Å; P829-G845 WeakPolarHBondContact O-CA 2.92Å; G843-G845 VanDerWaalsContact C-N 3.27Å; G845-T847 PolarHBondContact O-N 3.11Å
846	Y	72.4	Confident	65.1	Low	21 Å²	21	54.8 Å²	54.8	8%	0.082	31%	0.314	C	S	.	.			trans	-80.2	103.5	175.6	179.4	-101.5	0	0	0	108.6	L759 L828 P829 L830 V874 R961	L759-Y846 HydrophobicContact CD2-CE1 4.3Å; L828-Y846 HydrophobicContact CD1-CD2 3.83Å; L828-Y846 HydrophobicContact CD1-CE2 4.46Å; L828-Y846 HydrophobicContact CD1-CG 4.35Å; P829-Y846 PolarHBondContact O-N 2.61Å; L830-Y846 HydrophobicContact CD2-CD1 3.77Å; L830-Y846 HydrophobicContact CD2-CG 4.11Å; Y846-V874 HydrophobicContact CE2-CG1 3.76Å; Y846-R961 PolarHBondContact O-NH2 2.79Å
847	T	60.7	Low	61.9	Low	66 Å²	66	63.9 Å²	63.9	41%	0.405	35%	0.353	S	S	.	.			trans	-94.7	109.1	160.7	57.1	0	0	0	0	105.5	G845 G849 E850	G845-T847 PolarHBondContact O-N 3.11Å; T847-G849 PolarHBondContact O-N 3.47Å; T847-E850 PolarHBondContact O-N 3.19Å; T847-E850 WeakPolarHBondContact OG1-CG 3.4Å
848	G	56.1	Low	59.1	Low	22 Å²	22	69.9 Å²	69.9	23%	0.227	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	2.8	177.1	0	0	0	0	0	115.7
849	G	45.3	Very low	56.2	Low	63 Å²	63	73.5 Å²	73.5	65%	0.649	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	26.5	172.8	0	0	0	0	0	115.5	T847 E851	T847-G849 PolarHBondContact O-N 3.47Å; G849-E851 PolarHBondContact O-N 2.76Å; G849-E851 VanDerWaalsContact O-N 3.16Å
850	E	43.4	Very low	53.2	Low	99 Å²	99	77.6 Å²	77.6	46%	0.463	43%	0.434	S	S	.	.	S	Bend	trans	-52.9	127.2	166.7	-73.6	-155.6	164.6	0	0	108.9	T847 P852 I855	T847-E850 PolarHBondContact O-N 3.19Å; T847-E850 WeakPolarHBondContact OG1-CG 3.4Å; E850-P852 VanDerWaalsContact O-N 3.12Å; E850-I855 HydrophobicContact CB-CD1 4.43Å
851	E	35	Very low	50.2	Low	137 Å²	137	85.7 Å²	85.7	64%	0.64	47%	0.471	S	S	*	.			trans	-46.5	118.3	-174.4	-163.1	174.7	-164.4	0	0	110	G849 L853 T854	G849-E851 PolarHBondContact O-N 2.76Å; G849-E851 VanDerWaalsContact O-N 3.16Å; E851-L853 PolarHBondContact O-N 2.88Å; E851-T854 PolarHBondContact O-N 2.87Å; E851-T854 VanDerWaalsContact O-N 3.11Å
852	P	36.4	Very low	47.5	Very low	74 Å²	74	84.9 Å²	84.9	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-50.5	-27.2	-166.2	-31.3	33.6	0	0	0	114.8	E850 T854 L856	E850-P852 VanDerWaalsContact O-N 3.12Å; P852-T854 PolarHBondContact O-N 3.19Å; P852-L856 HydrophobicContact CB-CD1 4.01Å; P852-L856 WeakPolarHBondContact O-CB 3.41Å; P852-L856 WeakPolarHBondContact O-CD1 3.42Å; P852-L856 WeakPolarHBondContact O-CG 3.27Å; P852-L856 PolarHBondContact O-N 3.2Å; P852-L856 VanDerWaalsContact O-N 3.15Å
853	L	29.7	Very low	45.2	Very low	135 Å²	135	88.1 Å²	88.1	71%	0.707	51%	0.507	S	S	*	.	H	α-helix	trans	-69.6	-24.4	-175	-69.6	167.1	0	0	0	114.6	E851	E851-L853 PolarHBondContact O-N 2.88Å
854	T	36.5	Very low	42.7	Very low	97 Å²	97	94.5 Å²	94.5	60%	0.595	53%	0.533	S	S	*	.	H	α-helix	trans	-83.6	-28.5	-175.7	-40.8	0	0	0	0	112	E851 P852 R1110	E851-T854 PolarHBondContact O-N 2.87Å; E851-T854 VanDerWaalsContact O-N 3.11Å; P852-T854 PolarHBondContact O-N 3.19Å; T854-R1110 PolarHBondContact O-NH1 3.31Å
855	I	39.5	Very low	40.3	Very low	46 Å²	46	99.7 Å²	99.7	24%	0.236	55%	0.547	C	S	.	.	H	α-helix	trans	-88.2	-30	174.1	-62.3	177.4	0	0	0	111.5	E850 V877 R1110	E850-I855 HydrophobicContact CB-CD1 4.43Å; I855-V877 HydrophobicContact CG2-CG1 4.09Å; I855-R1110 PolarHBondContact O-NH1 2.69Å; I855-R1110 PolarHBondContact O-NH2 2.83Å
856	L	30.6	Very low	38.4	Very low	52 Å²	52	102 Å²	102	27%	0.272	56%	0.561	S	S	.	*			trans	-102.1	34.5	-168.7	-68	164.7	0	0	0	116.8	P852 I858 L859 V873	P852-L856 HydrophobicContact CB-CD1 4.01Å; P852-L856 WeakPolarHBondContact O-CB 3.41Å; P852-L856 WeakPolarHBondContact O-CD1 3.42Å; P852-L856 WeakPolarHBondContact O-CG 3.27Å; P852-L856 PolarHBondContact O-N 3.2Å; P852-L856 VanDerWaalsContact O-N 3.15Å; L856-I858 PolarHBondContact O-N 3.01Å; L856-L859 HydrophobicContact CD2-CD1 4.2Å; L856-L859 HydrophobicContact CD2-CG 4.44Å; L856-L859 PolarHBondContact O-N 3.4Å; L856-V873 HydrophobicContact CD2-CG1 4.05Å
857	K	27.4	Very low	36.7	Very low	193 Å²	193	108 Å²	108	84%	0.839	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	13.9	172.2	-113.5	-178.6	-175.9	178.4	0	115.6
858	I	32.7	Very low	36	Very low	126 Å²	126	107.3 Å²	107.3	65%	0.646	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.1	69	163.8	-49	175.6	0	0	0	109.4	L856	L856-I858 PolarHBondContact O-N 3.01Å
859	L	29.5	Very low	35.7	Very low	124 Å²	124	109.3 Å²	109.3	65%	0.649	60%	0.596	S	S	*	*	S	Bend	trans	-155.7	130.7	147.8	-78.1	-172	0	0	0	108.8	L856	L856-L859 HydrophobicContact CD2-CD1 4.2Å; L856-L859 HydrophobicContact CD2-CG 4.44Å; L856-L859 PolarHBondContact O-N 3.4Å
860	P	30.6	Very low	36	Very low	119 Å²	119	108.9 Å²	108.9	77%	0.773	58%	0.581	S	S	*	*			trans	-75.1	133	-179.7	29.4	-30.5	0	0	0	111.7
861	H	28.3	Very low	36.6	Very low	170 Å²	170	105.2 Å²	105.2	79%	0.787	57%	0.566	S	S	*	*	S	Bend	trans	64.8	112	159.7	-74.7	-172.7	0	0	0	119.9
862	S	32.5	Very low	37.8	Very low	105 Å²	105	100.4 Å²	100.4	73%	0.734	55%	0.545	S	S	*	.				56	87.5	128.2	-32.3	0	0	0	0	117.3
863	T	39.5	Very low	39	Very low	92 Å²	92	99.1 Å²	99.1	56%	0.564	54%	0.536	S	S	*	.			trans	-149.2	102	158.7	-33.3	0	0	0	0	111.7	V337 N338	V337-T863 HydrophobicContact CB-CG2 4.36Å; V337-T863 HydrophobicContact CG1-CG2 3.99Å; N338-T863 PolarHBondContact ND2-OG1 3.41Å; N338-T863 VanDerWaalsContact ND2-OG1 3.08Å
864	L	31	Very low	40.5	Very low	164 Å²	164	94 Å²	94	86%	0.859	51%	0.51	S	S	*	.			trans	-88	148	167.5	-94.6	148	0	0	0	109.8
865	F	31.1	Very low	41.8	Very low	181 Å²	181	89.4 Å²	89.4	79%	0.794	48%	0.482	S	S	*	.			trans	76.1	82.4	169.5	-101.4	-89.2	0	0	0	119.5
866	C	37.5	Very low	42.9	Very low	56 Å²	56	89 Å²	89	38%	0.378	48%	0.481	S	S	.	.				-167.7	117.8	127.5	-143.5	0	0	0	0	107.4	S868 I869	C866-S868 PolarHBondContact O-N 3.17Å; C866-I869 HydrophobicContact CB-CD1 4.17Å; C866-I869 HydrophobicContact CB-CG1 4.25Å; C866-I869 PolarHBondContact O-N 3.27Å
867	L	36.7	Very low	44.5	Very low	147 Å²	147	88 Å²	88	77%	0.77	48%	0.478	S	S	*	.	H	α-helix	trans	-52.1	-32	-177.6	-77.9	161.4	0	0	0	112.4	V871	L867-V871 WeakPolarHBondContact O-CG2 3.47Å; L867-V871 PolarHBondContact O-N 2.84Å
868	S	46.3	Very low	46.4	Very low	52 Å²	52	79.8 Å²	79.8	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-68.3	-32.8	178.7	-44.9	0	0	0	0	114.3	C866 V872	C866-S868 PolarHBondContact O-N 3.17Å; S868-V872 WeakPolarHBondContact O-CG2 3.17Å; S868-V872 PolarHBondContact O-N 2.93Å
869	I	49.9	Very low	48.1	Very low	63 Å²	63	73.9 Å²	73.9	32%	0.323	41%	0.413	S	S	.	.	H	α-helix	trans	-76.2	-36.8	180	-64	174.1	0	0	0	110.4	P336 C866 V872 V873	P336-I869 HydrophobicContact CB-CD1 4.25Å; C866-I869 HydrophobicContact CB-CD1 4.17Å; C866-I869 HydrophobicContact CB-CG1 4.25Å; C866-I869 PolarHBondContact O-N 3.27Å; I869-V872 PolarHBondContact O-N 3.43Å; I869-V873 HydrophobicContact CG2-CG2 4.08Å; I869-V873 WeakPolarHBondContact O-CB 3.46Å; I869-V873 VanDerWaalsContact O-CG2 3.29Å; I869-V873 WeakPolarHBondContact O-CG2 3.17Å; I869-V873 PolarHBondContact O-N 3.12Å
870	V	52.5	Low	49.8	Very low	55 Å²	55	70.5 Å²	70.5	33%	0.333	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-46.9	178.7	-178.9	0	0	0	0	110.4	V872 V873 V874	V870-V872 VanDerWaalsContact C-N 3.34Å; V870-V872 PolarHBondContact O-N 2.98Å; V870-V873 PolarHBondContact O-N 2.9Å; V870-V874 HydrophobicContact CG1-CG2 4.31Å; V870-V874 WeakPolarHBondContact O-CB 3.32Å; V870-V874 WeakPolarHBondContact O-CG2 3.48Å; V870-V874 PolarHBondContact O-N 2.85Å
871	V	56.6	Low	51.6	Low	22 Å²	22	69.3 Å²	69.3	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-59.4	-46.3	176.8	175.8	0	0	0	0	110.7	L759 S762 L867 V874 I875	L759-V871 HydrophobicContact CD2-CG1 4.26Å; S762-V871 WeakPolarHBondContact OG-CG1 3.43Å; L867-V871 WeakPolarHBondContact O-CG2 3.47Å; L867-V871 PolarHBondContact O-N 2.84Å; V871-V874 PolarHBondContact O-N 2.81Å; V871-I875 HydrophobicContact CG1-CD1 3.65Å; V871-I875 HydrophobicContact CG1-CG1 4.39Å; V871-I875 WeakPolarHBondContact O-CB 3.32Å; V871-I875 WeakPolarHBondContact O-CG1 3.44Å; V871-I875 PolarHBondContact O-N 2.87Å
872	V	59	Low	53.9	Low	35 Å²	35	61.8 Å²	61.8	21%	0.212	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-46.4	178.6	170.4	0	0	0	0	112.1	L766 S868 I869 V870 V874 I875 V876	L766-V872 HydrophobicContact CD1-CG1 4.22Å; L766-V872 HydrophobicContact CD2-CG1 3.95Å; L766-V872 HydrophobicContact CG-CG1 4.37Å; S868-V872 WeakPolarHBondContact O-CG2 3.17Å; S868-V872 PolarHBondContact O-N 2.93Å; I869-V872 PolarHBondContact O-N 3.43Å; V870-V872 VanDerWaalsContact C-N 3.34Å; V870-V872 PolarHBondContact O-N 2.98Å; V872-V874 PolarHBondContact O-N 3.1Å; V872-I875 PolarHBondContact O-N 2.93Å; V872-V876 HydrophobicContact CG1-CG2 4.41Å; V872-V876 VanDerWaalsContact O-CG2 3.31Å; V872-V876 WeakPolarHBondContact O-CG2 3.39Å; V872-V876 PolarHBondContact O-N 2.87Å
873	V	60.7	Low	56	Low	48 Å²	48	56.8 Å²	56.8	29%	0.291	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-44	178.4	170.9	0	0	0	0	110.9	L856 I869 V870 I875 V876 V877	L856-V873 HydrophobicContact CD2-CG1 4.05Å; I869-V873 HydrophobicContact CG2-CG2 4.08Å; I869-V873 WeakPolarHBondContact O-CB 3.46Å; I869-V873 VanDerWaalsContact O-CG2 3.29Å; I869-V873 WeakPolarHBondContact O-CG2 3.17Å; I869-V873 PolarHBondContact O-N 3.12Å; V870-V873 PolarHBondContact O-N 2.9Å; V873-I875 VanDerWaalsContact C-N 3.34Å; V873-I875 PolarHBondContact O-N 3.14Å; V873-V876 PolarHBondContact O-N 2.85Å; V873-V877 HydrophobicContact CG1-CG2 4.47Å; V873-V877 WeakPolarHBondContact O-CB 3.17Å; V873-V877 VanDerWaalsContact O-CG2 3.28Å; V873-V877 WeakPolarHBondContact O-CG2 3.39Å; V873-V877 PolarHBondContact O-N 2.89Å
874	V	61.3	Low	57.9	Low	26 Å²	26	54.4 Å²	54.4	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-43.8	177.3	173.6	0	0	0	0	110.4	Y846 V870 V871 V872 V877 I878	Y846-V874 HydrophobicContact CE2-CG1 3.76Å; V870-V874 HydrophobicContact CG1-CG2 4.31Å; V870-V874 WeakPolarHBondContact O-CB 3.32Å; V870-V874 WeakPolarHBondContact O-CG2 3.48Å; V870-V874 PolarHBondContact O-N 2.85Å; V871-V874 PolarHBondContact O-N 2.81Å; V872-V874 PolarHBondContact O-N 3.1Å; V874-V877 PolarHBondContact O-N 2.76Å; V874-I878 HydrophobicContact CG1-CD1 3.58Å; V874-I878 HydrophobicContact CG1-CG1 4.26Å; V874-I878 WeakPolarHBondContact O-CB 3.47Å; V874-I878 WeakPolarHBondContact O-CG1 3.31Å; V874-I878 PolarHBondContact O-N 2.8Å
875	I	64.8	Low	60.3	Low	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-47.5	175.6	-69.9	166	0	0	0	111.2	L759 F763 L766 V871 V872 V873 V877 I878 V879	L759-I875 HydrophobicContact CD2-CD1 3.87Å; L759-I875 HydrophobicContact CD2-CG1 4.2Å; F763-I875 HydrophobicContact CD1-CG2 3.61Å; F763-I875 HydrophobicContact CE1-CB 4.49Å; F763-I875 HydrophobicContact CE1-CG1 4.48Å; F763-I875 HydrophobicContact CE1-CG2 3.3Å; F763-I875 HydrophobicContact CE2-CD1 4.4Å; F763-I875 HydrophobicContact CG-CG2 4.43Å; F763-I875 HydrophobicContact CZ-CD1 4.48Å; F763-I875 HydrophobicContact CZ-CG1 4.22Å; F763-I875 HydrophobicContact CZ-CG2 3.87Å; L766-I875 HydrophobicContact CD1-CB 4Å; L766-I875 HydrophobicContact CD1-CG2 3.5Å; L766-I875 VanDerWaalsContact CD1-CG2 3.5Å; V871-I875 HydrophobicContact CG1-CD1 3.65Å; V871-I875 HydrophobicContact CG1-CG1 4.39Å; V871-I875 WeakPolarHBondContact O-CB 3.32Å; V871-I875 WeakPolarHBondContact O-CG1 3.44Å; V871-I875 PolarHBondContact O-N 2.87Å; V872-I875 PolarHBondContact O-N 2.93Å; V873-I875 VanDerWaalsContact C-N 3.34Å; V873-I875 PolarHBondContact O-N 3.14Å; I875-V877 VanDerWaalsContact C-N 3.27Å; I875-V877 PolarHBondContact O-N 2.83Å; I875-I878 PolarHBondContact O-N 3.33Å; I875-V879 HydrophobicContact CG2-CG2 3.8Å; I875-V879 WeakPolarHBondContact O-CB 3.4Å; I875-V879 WeakPolarHBondContact O-CG2 3.5Å; I875-V879 PolarHBondContact O-N 2.91Å
876	V	63	Low	62.8	Low	37 Å²	37	43.5 Å²	43.5	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-39.9	178.5	172.2	0	0	0	0	111	V382 L766 V872 V873 N880	V382-V876 HydrophobicContact CG2-CG1 4.34Å; L766-V876 HydrophobicContact CD1-CG2 3.65Å; L766-V876 HydrophobicContact CD2-CG2 3.64Å; L766-V876 HydrophobicContact CG-CG2 4.29Å; V872-V876 HydrophobicContact CG1-CG2 4.41Å; V872-V876 VanDerWaalsContact O-CG2 3.31Å; V872-V876 WeakPolarHBondContact O-CG2 3.39Å; V872-V876 PolarHBondContact O-N 2.87Å; V873-V876 PolarHBondContact O-N 2.85Å; V876-N880 WeakPolarHBondContact O-CB 3.11Å; V876-N880 PolarHBondContact O-N 2.97Å
877	V	64.4	Low	65.3	Low	32 Å²	32	45.7 Å²	45.7	19%	0.194	25%	0.245	C	C	.	.	I	π-helix	trans	-65.6	-47.3	175.7	171.1	0	0	0	0	111.1	I855 V873 V874 I875 V879 R881 D882	I855-V877 HydrophobicContact CG2-CG1 4.09Å; V873-V877 HydrophobicContact CG1-CG2 4.47Å; V873-V877 WeakPolarHBondContact O-CB 3.17Å; V873-V877 VanDerWaalsContact O-CG2 3.28Å; V873-V877 WeakPolarHBondContact O-CG2 3.39Å; V873-V877 PolarHBondContact O-N 2.89Å; V874-V877 PolarHBondContact O-N 2.76Å; I875-V877 VanDerWaalsContact C-N 3.27Å; I875-V877 PolarHBondContact O-N 2.83Å; V877-V879 VanDerWaalsContact C-N 3.34Å; V877-V879 PolarHBondContact O-N 3.09Å; V877-R881 WeakPolarHBondContact O-CA 3.37Å; V877-R881 VanDerWaalsContact O-CB 3.29Å; V877-R881 WeakPolarHBondContact O-CB 3.46Å; V877-R881 PolarHBondContact O-N 2.83Å; V877-D882 PolarHBondContact O-N 3.47Å; V877-D882 VanDerWaalsContact O-N 3.15Å
878	I	65.8	Low	67.9	Low	21 Å²	21	43.4 Å²	43.4	11%	0.108	23%	0.233	C	C	.	.	I	π-helix	trans	-60.2	-47.9	178.6	-71.5	171.6	0	0	0	109.9	L828 W842 V874 I875 D882 V883	L828-I878 HydrophobicContact CD1-CD1 3.55Å; W842-I878 HydrophobicContact CZ3-CG2 4.23Å; V874-I878 HydrophobicContact CG1-CD1 3.58Å; V874-I878 HydrophobicContact CG1-CG1 4.26Å; V874-I878 WeakPolarHBondContact O-CB 3.47Å; V874-I878 WeakPolarHBondContact O-CG1 3.31Å; V874-I878 PolarHBondContact O-N 2.8Å; I875-I878 PolarHBondContact O-N 3.33Å; I878-D882 CarbonylContact O-C 3.48Å; I878-D882 WeakPolarHBondContact O-CA 3.25Å; I878-D882 VanDerWaalsContact O-CB 3.29Å; I878-D882 WeakPolarHBondContact O-CB 3.34Å; I878-D882 PolarHBondContact O-N 3.21Å; I878-V883 HydrophobicContact CG2-CG2 4.49Å; I878-V883 WeakPolarHBondContact O-CG2 3.5Å; I878-V883 PolarHBondContact O-N 3.36Å
879	V	69.5	Low	70.2	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.22	C	C	.	.	I	π-helix	trans	-73.5	-54.9	-173.8	170.5	0	0	0	0	111.5	L383 I386 L743 F763 L796 I875 V877 V883 V884	L383-V879 HydrophobicContact CD2-CG1 3.99Å; I386-V879 HydrophobicContact CD1-CB 4.4Å; I386-V879 HydrophobicContact CD1-CG1 2.93Å; I386-V879 HydrophobicContact CG1-CG1 4.42Å; L743-V879 HydrophobicContact CD2-CG1 3.94Å; L743-V879 HydrophobicContact CD2-CG2 4.23Å; F763-V879 HydrophobicContact CD1-CG2 4.42Å; F763-V879 HydrophobicContact CE1-CG2 3.62Å; L796-V879 HydrophobicContact CD2-CG2 4.36Å; I875-V879 HydrophobicContact CG2-CG2 3.8Å; I875-V879 WeakPolarHBondContact O-CB 3.4Å; I875-V879 WeakPolarHBondContact O-CG2 3.5Å; I875-V879 PolarHBondContact O-N 2.91Å; V877-V879 VanDerWaalsContact C-N 3.34Å; V877-V879 PolarHBondContact O-N 3.09Å; V879-V883 WeakPolarHBondContact O-CB 3.44Å; V879-V884 PolarHBondContact O-N 2.92Å
880	N	65.1	Low	72.3	Confident	52 Å²	52	43.3 Å²	43.3	28%	0.278	22%	0.222	S	C	.	.	I	π-helix	trans	-75.6	-48.3	-174.4	-174.3	24.2	0	0	0	111.8	V382 L383 V876 V884	V382-N880 VanDerWaalsContact O-CG 3.3Å; V382-N880 PolarHBondContact O-OD1 3.35Å; V382-N880 VanDerWaalsContact O-OD1 3.09Å; L383-N880 HydrophobicContact CD2-CB 4.26Å; V876-N880 WeakPolarHBondContact O-CB 3.11Å; V876-N880 PolarHBondContact O-N 2.97Å; N880-V884 WeakPolarHBondContact O-CB 3.36Å; N880-V884 WeakPolarHBondContact O-CG2 3.19Å
881	R	67.3	Low	74.3	Confident	94 Å²	94	40.7 Å²	40.7	36%	0.355	21%	0.206	S	C	.	.	I	π-helix	trans	-84.9	-52.9	-175.4	-168.8	-178.1	-179.7	175.4	1.7	111.3	V877 E885	V877-R881 WeakPolarHBondContact O-CA 3.37Å; V877-R881 VanDerWaalsContact O-CB 3.29Å; V877-R881 WeakPolarHBondContact O-CB 3.46Å; V877-R881 PolarHBondContact O-N 2.83Å; R881-E885 WeakPolarHBondContact O-CB 3.4Å; R881-E885 WeakPolarHBondContact O-CG 3.36Å; R881-E885 PolarHBondContact O-N 2.81Å
882	D	76.6	Confident	76.2	Confident	13 Å²	13	39.8 Å²	39.8	7%	0.07	20%	0.201	C	C	.	.	I	π-helix	trans	-78.5	-39.2	-169.6	-58.7	-37	0	0	0	112.3	W842 V877 I878 A886 K1107	W842-D882 HydrophobicContact CH2-CB 3.85Å; W842-D882 HydrophobicContact CZ3-CB 3.54Å; V877-D882 PolarHBondContact O-N 3.47Å; V877-D882 VanDerWaalsContact O-N 3.15Å; I878-D882 CarbonylContact O-C 3.48Å; I878-D882 WeakPolarHBondContact O-CA 3.25Å; I878-D882 VanDerWaalsContact O-CB 3.29Å; I878-D882 WeakPolarHBondContact O-CB 3.34Å; I878-D882 PolarHBondContact O-N 3.21Å; D882-A886 WeakPolarHBondContact O-CA 3.21Å; D882-A886 WeakPolarHBondContact O-CB 3.37Å; D882-A886 PolarHBondContact O-N 3.07Å; D882-K1107 HydrophobicContact CB-CD 4.03Å; D882-K1107 HydrophobicContact CB-CG 4.36Å; D882-K1107 VanDerWaalsContact CG-NZ 3.32Å; D882-K1107 WeakPolarHBondContact OD1-CE 3.25Å; D882-K1107 IonicContact OD1-NZ 3.87Å; D882-K1107 VanDerWaalsContact OD2-CE 3.27Å; D882-K1107 WeakPolarHBondContact OD2-CE 3.47Å; D882-K1107 IonicContact OD2-NZ 3.45Å; D882-K1107 PolarHBondContact OD2-NZ 2.9Å
883	V	77.4	Confident	77.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-83.5	-38.8	-179.4	173.9	0	0	0	0	112.6	L743 K794 L796 A826 W842 I878 V879 L1105	L743-V883 HydrophobicContact CD1-CG1 4.1Å; K794-V883 HydrophobicContact CD-CG1 4.04Å; K794-V883 PolarHBondContact NZ-O 3.39Å; L796-V883 HydrophobicContact CD1-CG2 4.49Å; A826-V883 HydrophobicContact CB-CG1 4.47Å; A826-V883 HydrophobicContact CB-CG2 3.77Å; W842-V883 HydrophobicContact CH2-CB 4.4Å; W842-V883 HydrophobicContact CH2-CG2 3.55Å; W842-V883 HydrophobicContact CZ2-CG2 4.42Å; W842-V883 HydrophobicContact CZ3-CG2 4.07Å; I878-V883 HydrophobicContact CG2-CG2 4.49Å; I878-V883 WeakPolarHBondContact O-CG2 3.5Å; I878-V883 PolarHBondContact O-N 3.36Å; V879-V883 WeakPolarHBondContact O-CB 3.44Å; V883-L1105 HydrophobicContact CG1-CD1 3.95Å
884	V	79.9	Confident	79.7	Confident	41 Å²	41	36 Å²	36	25%	0.248	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-45.3	178	-174.3	0	0	0	0	110.9	I386 K794 V879 N880	I386-V884 HydrophobicContact CG2-CG2 3.79Å; K794-V884 PolarHBondContact NZ-O 2.97Å; K794-V884 VanDerWaalsContact NZ-O 3.11Å; V879-V884 PolarHBondContact O-N 2.92Å; N880-V884 WeakPolarHBondContact O-CB 3.36Å; N880-V884 WeakPolarHBondContact O-CG2 3.19Å
885	E	80.3	Confident	81.3	Confident	105 Å²	105	36 Å²	36	49%	0.491	18%	0.177	S	C	.	.	S	Bend	trans	-87.9	-3.2	-177.2	-51.4	177.9	172.8	0	0	114.6	R881 R1108	R881-E885 WeakPolarHBondContact O-CB 3.4Å; R881-E885 WeakPolarHBondContact O-CG 3.36Å; R881-E885 PolarHBondContact O-N 2.81Å; E885-R1108 WeakPolarHBondContact O-CD 3.4Å; E885-R1108 PolarHBondContact O-NE 2.96Å
886	A	85.2	Confident	82.8	Confident	12 Å²	12	36 Å²	36	10%	0.099	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-59.4	149.8	178.1	0	0	0	0	0	112.4	W842 D882 L1105 K1106	W842-A886 HydrophobicContact CZ2-CB 4.37Å; D882-A886 WeakPolarHBondContact O-CA 3.21Å; D882-A886 WeakPolarHBondContact O-CB 3.37Å; D882-A886 PolarHBondContact O-N 3.07Å; A886-L1105 HydrophobicContact CB-CB 3.84Å; A886-L1105 HydrophobicContact CB-CD2 3.84Å; A886-L1105 HydrophobicContact CB-CG 4.31Å; A886-K1106 WeakPolarHBondContact CB-O 2.76Å
887	E	88.1	Confident	84.3	Confident	101 Å²	101	35.1 Å²	35.1	47%	0.472	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.5	174.9	-177.8	-179.8	-173.6	0	0	109.9	I889 L1105 K1106	E887-I889 PolarHBondContact O-N 2.88Å; E887-L1105 WeakPolarHBondContact O-CA 3.31Å; E887-K1106 PolarHBondContact N-O 2.75Å; E887-K1106 PolarHBondContact O-N 2.85Å
888	N	92.6	Very high	85.7	Confident	99 Å²	99	33.8 Å²	33.8	53%	0.529	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122	169.5	-68.5	-9	0	0	0	108.5	T1103 L1105	N888-T1103 HydrophobicContact CB-CG2 4.07Å; N888-L1105 WeakPolarHBondContact OD1-CD2 3.29Å
889	I	93.5	Very high	86.8	Confident	15 Å²	15	36.9 Å²	36.9	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.3	174.7	-161.3	158.8	0	0	0	109.2	L840 E887 H1034 F1035 M1104 K1106	L840-I889 HydrophobicContact CD2-CG2 3.56Å; E887-I889 PolarHBondContact O-N 2.88Å; I889-H1034 VanDerWaalsContact CD1-NE2 3.34Å; I889-H1034 WeakPolarHBondContact CD1-NE2 3.37Å; I889-F1035 HydrophobicContact CD1-CD1 4.08Å; I889-F1035 HydrophobicContact CD1-CE1 3.66Å; I889-F1035 HydrophobicContact CG1-CD1 3.89Å; I889-F1035 HydrophobicContact CG1-CE1 3.94Å; I889-M1104 HydrophobicContact CG2-CB 3.95Å; I889-M1104 PolarHBondContact N-O 2.73Å; I889-M1104 PolarHBondContact O-N 2.9Å; I889-K1106 HydrophobicContact CB-CB 4.42Å; I889-K1106 HydrophobicContact CD1-CD 3.71Å; I889-K1106 HydrophobicContact CG2-CB 4.03Å
890	R	94.6	Very high	87.4	Confident	99 Å²	99	38 Å²	38	37%	0.374	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	146.9	174.2	-64.1	-64.6	-70.3	-171.7	-13.7	109.2	H1034 F1035 T1103	R890-H1034 PolarHBondContact O-CD2 3.46Å; R890-F1035 HydrophobicContact CB-CB 4.03Å; R890-T1103 PolarHBondContact NH1-OG1 3.41Å
891	L	95.5	Very high	88.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	114	166.8	176.8	65.6	0	0	0	106.8	L836 N932 I1011 H1034 A1102 M1104	L836-L891 HydrophobicContact CD1-CD1 4.29Å; L836-L891 HydrophobicContact CD1-CD2 4.11Å; L836-L891 HydrophobicContact CD2-CD2 4.27Å; L891-N932 HydrophobicContact CD2-CB 4.49Å; L891-I1011 HydrophobicContact CD1-CG2 4.17Å; L891-H1034 HydrophobicContact CD1-CB 3.98Å; L891-A1102 HydrophobicContact CB-CB 4.31Å; L891-A1102 PolarHBondContact N-O 3.33Å; L891-A1102 PolarHBondContact O-N 2.82Å; L891-A1102 VanDerWaalsContact O-N 3.11Å; L891-M1104 HydrophobicContact CB-CG 3.67Å; L891-M1104 HydrophobicContact CD2-CG 3.97Å; L891-M1104 HydrophobicContact CD2-SD 4.26Å; L891-M1104 HydrophobicContact CG-CG 4.45Å
892	D	95.1	Very high	88.3	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.2	166.6	-80.3	-37.5	0	0	0	108.7	N1010 H1034 F1035 G1037 R1097 K1101	D892-N1010 PolarHBondContact O-ND2 2.86Å; D892-H1034 PolarHBondContact N-O 3.43Å; D892-F1035 WeakPolarHBondContact OD2-CA 3.36Å; D892-G1037 VanDerWaalsContact OD2-CA 3.24Å; D892-G1037 WeakPolarHBondContact OD2-CA 3.43Å; D892-G1037 PolarHBondContact OD2-N 3.33Å; D892-R1097 IonicContact OD1-CZ 3.44Å; D892-R1097 IonicContact OD1-NE 3.65Å; D892-R1097 IonicContact OD1-NH2 3.84Å; D892-R1097 PolarHBondContact OD1-NH2 2.83Å; D892-R1097 IonicContact OD2-NH2 3.84Å; D892-R1097 PolarHBondContact OD2-NH2 2.81Å; D892-K1101 WeakPolarHBondContact OD1-CE 3.4Å; D892-K1101 IonicContact OD1-NZ 3.21Å
893	R	95.8	Very high	87.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150	176.6	-56.5	-180	70.8	-167.4	-3.1	108	D812 V930 N932 S1098	D812-R893 IonicContact OD1-NH1 3.8Å; D812-R893 PolarHBondContact OD1-NH1 3.42Å; D812-R893 IonicContact OD2-CZ 3.19Å; D812-R893 IonicContact OD2-NH1 2.79Å; D812-R893 PolarHBondContact OD2-NH1 2.85Å; D812-R893 IonicContact OD2-NH2 3.53Å; D812-R893 PolarHBondContact OD2-NH2 2.87Å; R893-V930 HydrophobicContact CB-CG1 4.18Å; R893-N932 PolarHBondContact NE-OD1 2.65Å; R893-N932 PolarHBondContact NH2-OD1 2.92Å; R893-S1098 WeakPolarHBondContact O-CA 3.48Å; R893-S1098 WeakPolarHBondContact O-CB 3.25Å; R893-S1098 PolarHBondContact O-N 3.14Å
894	W	97.1	Very high	87.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	-169.5	-61.4	86	0	0	0	110.1	V930 M931 N1010 G1037 Q1038 L1039 G1067 V1095 L1096 R1097	W894-V930 CarbonylContact O-C 3.56Å; W894-V930 VanDerWaalsContact O-CA 3.32Å; W894-V930 WeakPolarHBondContact O-CA 3.43Å; W894-M931 HydrophobicContact CB-CB 4.26Å; W894-M931 HydrophobicContact CB-CE 3.86Å; W894-M931 HydrophobicContact CG-CE 3.92Å; W894-M931 PolarHBondContact N-O 3.33Å; W894-M931 PolarHBondContact O-N 3.18Å; W894-N1010 VanDerWaalsContact NE1-CG 3.27Å; W894-N1010 PolarHBondContact NE1-OD1 3.38Å; W894-G1037 WeakPolarHBondContact CH2-O 3.24Å; W894-Q1038 WeakPolarHBondContact CZ2-O 3.42Å; W894-L1039 HydrophobicContact CD2-CD1 3.61Å; W894-L1039 HydrophobicContact CD2-CD2 3.79Å; W894-L1039 HydrophobicContact CD2-CG 3.73Å; W894-L1039 VanDerWaalsContact CE2-CD2 3.45Å; W894-L1039 HydrophobicContact CE3-CD1 3.47Å; W894-L1039 VanDerWaalsContact CE3-CD1 3.47Å; W894-L1039 HydrophobicContact CE3-CD2 4.44Å; W894-L1039 HydrophobicContact CE3-CG 3.89Å; W894-L1039 HydrophobicContact CG-CD1 4.15Å; W894-L1039 HydrophobicContact CG-CD2 4.01Å; W894-L1039 HydrophobicContact CG-CG 4.4Å; W894-L1039 HydrophobicContact CH2-CD1 4.18Å; W894-L1039 HydrophobicContact CH2-CG 3.76Å; W894-L1039 HydrophobicContact CZ2-CD1 4.3Å; W894-L1039 HydrophobicContact CZ2-CD2 3.88Å; W894-L1039 HydrophobicContact CZ2-CG 3.6Å; W894-L1039 HydrophobicContact CZ3-CD1 3.78Å; W894-L1039 HydrophobicContact CZ3-CG 3.9Å; W894-G1067 WeakPolarHBondContact CZ3-O 3.25Å; W894-V1095 HydrophobicContact CB-CG1 4.14Å; W894-V1095 HydrophobicContact CE3-CG1 4.38Å; W894-L1096 CarbonylContact C-O 3.03Å; W894-L1096 WeakPolarHBondContact CA-O 3.34Å; W894-L1096 VanDerWaalsContact CE3-C 3.48Å; W894-R1097 HydrophobicContact CE3-CB 4.21Å; W894-R1097 HydrophobicContact CH2-CB 4.39Å; W894-R1097 HydrophobicContact CZ3-CB 3.88Å; W894-R1097 HydrophobicContact CZ3-CG 4.41Å
895	T	95.8	Very high	86.5	Confident	27 Å²	27	47.7 Å²	47.7	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.1	178.7	-50.3	0	0	0	0	107.7	V897 I928 F929 V1095 L1096 S1098	T895-V897 HydrophobicContact CG2-CG2 3.91Å; T895-I928 HydrophobicContact CG2-CG2 3.44Å; T895-I928 VanDerWaalsContact CG2-CG2 3.44Å; T895-F929 CarbonylContact C-O 3.58Å; T895-F929 WeakPolarHBondContact CA-O 3.15Å; T895-V1095 WeakPolarHBondContact O-CA 3.48Å; T895-L1096 PolarHBondContact N-O 2.99Å; T895-L1096 PolarHBondContact O-N 3.47Å; T895-S1098 WeakPolarHBondContact OG1-CB 3.48Å; T895-S1098 PolarHBondContact OG1-OG 3.04Å
896	V	95.9	Very high	85.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.4	174.5	-176.3	0	0	0	0	107.3	I898 I928 F929 M931 F935 V1081 I1093 I1094 V1095	V896-I898 HydrophobicContact CG1-CG1 4.43Å; V896-I928 WeakPolarHBondContact O-CA 3.21Å; V896-F929 HydrophobicContact CB-CB 4.28Å; V896-F929 PolarHBondContact N-O 2.68Å; V896-F929 PolarHBondContact O-N 2.76Å; V896-M931 HydrophobicContact CG2-CB 3.95Å; V896-M931 HydrophobicContact CG2-SD 4.41Å; V896-F935 HydrophobicContact CG1-CD2 4.46Å; V896-F935 HydrophobicContact CG1-CE2 4.41Å; V896-V1081 HydrophobicContact CG2-CG2 4.37Å; V896-I1093 HydrophobicContact CG1-CG2 3.65Å; V896-I1094 CarbonylContact C-O 3.6Å; V896-I1094 WeakPolarHBondContact CA-O 3.23Å; V896-V1095 HydrophobicContact CG2-CG1 4.27Å; V896-V1095 HydrophobicContact CG2-CG2 4.27Å
897	V	94.8	Very high	85	Confident	20 Å²	20	48.2 Å²	48.2	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122	179.2	-175.7	0	0	0	0	108.7	T895 K899 R927 I928 I1093 I1094 L1096	T895-V897 HydrophobicContact CG2-CG2 3.91Å; V897-K899 HydrophobicContact CG1-CG 4.39Å; V897-R927 CarbonylContact C-O 3.6Å; V897-R927 WeakPolarHBondContact CA-O 3.33Å; V897-I928 HydrophobicContact CG2-CG1 4.44Å; V897-I1093 CarbonylContact O-C 3.5Å; V897-I1094 HydrophobicContact CB-CB 4.47Å; V897-I1094 PolarHBondContact N-O 3.34Å; V897-I1094 PolarHBondContact O-N 3.31Å; V897-L1096 HydrophobicContact CG2-CD1 4.49Å
898	I	92.9	Very high	84	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.4	179.3	-53.9	179.2	0	0	0	107.9	V896 S926 R927 F929 W1086 Q1092 I1093	V896-I898 HydrophobicContact CG1-CG1 4.43Å; I898-S926 CarbonylContact O-C 3.6Å; I898-S926 WeakPolarHBondContact O-CA 3.45Å; I898-R927 HydrophobicContact CB-CB 4.26Å; I898-R927 PolarHBondContact N-O 3.01Å; I898-R927 PolarHBondContact O-N 2.7Å; I898-F929 HydrophobicContact CD1-CD2 4.06Å; I898-F929 HydrophobicContact CD1-CE2 3.7Å; I898-W1086 HydrophobicContact CD1-CH2 4.32Å; I898-W1086 HydrophobicContact CD1-CZ2 3.46Å; I898-W1086 VanDerWaalsContact CD1-CZ2 3.46Å; I898-Q1092 CarbonylContact C-O 3.49Å; I898-Q1092 WeakPolarHBondContact CA-O 3.42Å; I898-I1093 HydrophobicContact CG1-CG2 4.47Å
899	K	89.7	Confident	82.7	Confident	86 Å²	86	46.1 Å²	46.1	37%	0.374	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.4	174.2	-62.8	-172.7	174.7	-171.6	0	108.4	V897 Q1092 I1094	V897-K899 HydrophobicContact CG1-CG 4.39Å; K899-Q1092 HydrophobicContact CB-CB 4.38Å; K899-Q1092 PolarHBondContact N-O 3.17Å; K899-Q1092 PolarHBondContact O-N 2.88Å; K899-I1094 HydrophobicContact CD-CD1 4.1Å
900	P	82.7	Confident	81.5	Confident	25 Å²	25	52.1 Å²	52.1	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	153.4	173.9	26.9	-32.7	0	0	0	110.1	E904	P900-E904 HydrophobicContact CB-CB 4.22Å; P900-E904 HydrophobicContact CB-CG 4.38Å
901	D	81.1	Confident	80.2	Confident	86 Å²	86	52.1 Å²	52.1	46%	0.46	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-63.1	157	171.9	-168.3	17.5	0	0	0	111	A903 E904 K905 P1090	D901-A903 PolarHBondContact O-N 2.88Å; D901-E904 PolarHBondContact O-N 3.02Å; D901-K905 PolarHBondContact O-N 3.19Å; D901-P1090 PolarHBondContact N-O 3.09Å
902	Q	70.5	Confident	78.6	Confident	107 Å²	107	55.5 Å²	55.5	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-57.2	-37.7	-175.9	-172.6	62.1	41.3	0	0	111.9	E904 K905 D906	Q902-E904 PolarHBondContact O-N 2.86Å; Q902-K905 PolarHBondContact O-N 3.1Å; Q902-D906 PolarHBondContact NE2-OD1 3.45Å; Q902-D906 WeakPolarHBondContact O-CB 3.41Å; Q902-D906 PolarHBondContact O-N 2.91Å
903	A	66.1	Low	77.1	Confident	68 Å²	68	59.7 Å²	59.7	56%	0.562	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-39.8	177.5	0	0	0	0	0	112.9	D901 A907	D901-A903 PolarHBondContact O-N 2.88Å; A903-A907 PolarHBondContact O-N 2.92Å
904	E	64.9	Low	75.7	Confident	57 Å²	57	65.7 Å²	65.7	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-74.2	-37.9	176.7	-168.8	-178.9	179.4	0	0	111	P900 D901 Q902 D906 A907 Q908 P1089	P900-E904 HydrophobicContact CB-CB 4.22Å; P900-E904 HydrophobicContact CB-CG 4.38Å; D901-E904 PolarHBondContact O-N 3.02Å; Q902-E904 PolarHBondContact O-N 2.86Å; E904-D906 VanDerWaalsContact C-N 3.32Å; E904-D906 PolarHBondContact O-N 2.71Å; E904-A907 PolarHBondContact O-N 3.06Å; E904-Q908 WeakPolarHBondContact O-CB 3.43Å; E904-Q908 WeakPolarHBondContact O-CG 3.43Å; E904-Q908 PolarHBondContact O-N 3.01Å; E904-Q908 PolarHBondContact OE1-NE2 3.11Å; E904-P1089 WeakPolarHBondContact OE2-CB 3.34Å
905	K	64.3	Low	74.1	Confident	85 Å²	85	72.1 Å²	72.1	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-43	172.3	-169.6	178.8	-176.8	175.5	0	111.5	D901 Q902 K909	D901-K905 PolarHBondContact O-N 3.19Å; Q902-K905 PolarHBondContact O-N 3.1Å; K905-K909 WeakPolarHBondContact O-CB 3.39Å; K905-K909 PolarHBondContact O-N 3.11Å
906	D	67.3	Low	72.4	Confident	72 Å²	72	73.1 Å²	73.1	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-67.7	-37.5	176.9	-69.1	-18.9	0	0	0	111.7	Q902 E904 K910	Q902-D906 PolarHBondContact NE2-OD1 3.45Å; Q902-D906 WeakPolarHBondContact O-CB 3.41Å; Q902-D906 PolarHBondContact O-N 2.91Å; E904-D906 VanDerWaalsContact C-N 3.32Å; E904-D906 PolarHBondContact O-N 2.71Å; D906-K910 WeakPolarHBondContact O-CB 3.46Å; D906-K910 WeakPolarHBondContact O-CG 3.27Å; D906-K910 PolarHBondContact O-N 3.3Å
907	A	66.7	Low	70.4	Confident	57 Å²	57	80.9 Å²	80.9	47%	0.471	42%	0.42	S	S	.	.	H	α-helix	trans	-66.1	-46.1	174	0	0	0	0	0	112.3	A903 E904 K910 Q911	A903-A907 PolarHBondContact O-N 2.92Å; E904-A907 PolarHBondContact O-N 3.06Å; A907-K910 PolarHBondContact O-N 3.34Å; A907-Q911 PolarHBondContact O-N 3.28Å
908	Q	66.5	Low	68.3	Low	57 Å²	57	82.9 Å²	82.9	27%	0.266	44%	0.435	S	S	.	.	H	α-helix	trans	-63.4	-41.3	174.9	-73.8	178.7	12.1	0	0	111.5	E904 K910 Q911 L912	E904-Q908 WeakPolarHBondContact O-CB 3.43Å; E904-Q908 WeakPolarHBondContact O-CG 3.43Å; E904-Q908 PolarHBondContact O-N 3.01Å; E904-Q908 PolarHBondContact OE1-NE2 3.11Å; Q908-K910 PolarHBondContact O-N 3.3Å; Q908-Q911 PolarHBondContact O-N 2.99Å; Q908-L912 WeakPolarHBondContact O-CB 3.44Å; Q908-L912 WeakPolarHBondContact O-CG 3.07Å; Q908-L912 PolarHBondContact O-N 3.31Å
909	K	66.4	Low	66.3	Low	98 Å²	98	88 Å²	88	43%	0.426	47%	0.471	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176	-172.3	175.6	-177.7	178.4	0	111.7	K905 Q913	K905-K909 WeakPolarHBondContact O-CB 3.39Å; K905-K909 PolarHBondContact O-N 3.11Å; K909-Q913 VanDerWaalsContact O-CB 3.29Å; K909-Q913 WeakPolarHBondContact O-CB 3.32Å; K909-Q913 WeakPolarHBondContact O-CG 3.27Å; K909-Q913 PolarHBondContact O-N 2.9Å
910	K	68.8	Low	64.2	Low	141 Å²	141	91 Å²	91	61%	0.613	49%	0.491	S	S	*	.	H	α-helix	trans	-62.1	-43.5	172.7	-78.5	176.5	-179	179.5	0	111.6	D906 A907 Q908 Q913 I914	D906-K910 WeakPolarHBondContact O-CB 3.46Å; D906-K910 WeakPolarHBondContact O-CG 3.27Å; D906-K910 PolarHBondContact O-N 3.3Å; A907-K910 PolarHBondContact O-N 3.34Å; Q908-K910 PolarHBondContact O-N 3.3Å; K910-Q913 PolarHBondContact O-N 2.91Å; K910-I914 WeakPolarHBondContact O-CD1 3.43Å; K910-I914 VanDerWaalsContact O-CG1 3.24Å; K910-I914 WeakPolarHBondContact O-CG1 3.46Å; K910-I914 PolarHBondContact O-N 2.93Å; K910-I914 VanDerWaalsContact O-N 3.1Å
911	Q	65.7	Low	62.5	Low	99 Å²	99	91.8 Å²	91.8	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-47.6	177.3	-171.7	63.8	26.4	0	0	112.1	A907 Q908 Q913 I914 E915	A907-Q911 PolarHBondContact O-N 3.28Å; Q908-Q911 PolarHBondContact O-N 2.99Å; Q911-Q913 VanDerWaalsContact C-N 3.32Å; Q911-Q913 PolarHBondContact O-N 3.18Å; Q911-I914 WeakPolarHBondContact O-CB 3.48Å; Q911-I914 PolarHBondContact O-N 2.86Å; Q911-I914 VanDerWaalsContact O-N 3.14Å; Q911-E915 PolarHBondContact NE2-OE1 3.47Å; Q911-E915 PolarHBondContact O-N 2.85Å
912	L	62.8	Low	61	Low	71 Å²	71	95.7 Å²	95.7	37%	0.372	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-35.1	177.3	-72.1	168.3	0	0	0	112.5	Q908 I914 E915 A916	Q908-L912 WeakPolarHBondContact O-CB 3.44Å; Q908-L912 WeakPolarHBondContact O-CG 3.07Å; Q908-L912 PolarHBondContact O-N 3.31Å; L912-I914 VanDerWaalsContact C-N 3.32Å; L912-E915 PolarHBondContact O-N 2.83Å; L912-A916 VanDerWaalsContact O-CB 3.28Å; L912-A916 WeakPolarHBondContact O-CB 3.33Å; L912-A916 PolarHBondContact O-N 2.95Å
913	Q	62.9	Low	60.3	Low	92 Å²	92	97.9 Å²	97.9	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-35.2	173.5	-81	177.1	-7.9	0	0	112.4	K909 K910 Q911	K909-Q913 VanDerWaalsContact O-CB 3.29Å; K909-Q913 WeakPolarHBondContact O-CB 3.32Å; K909-Q913 WeakPolarHBondContact O-CG 3.27Å; K909-Q913 PolarHBondContact O-N 2.9Å; K910-Q913 PolarHBondContact O-N 2.91Å; Q911-Q913 VanDerWaalsContact C-N 3.32Å; Q911-Q913 PolarHBondContact O-N 3.18Å
914	I	66.6	Low	60	Low	127 Å²	127	100.3 Å²	100.3	65%	0.651	53%	0.53	S	S	*	.	H	α-helix	trans	-70.8	-40.4	175.6	-67	162.4	0	0	0	110.7	K910 Q911 L912	K910-I914 WeakPolarHBondContact O-CD1 3.43Å; K910-I914 VanDerWaalsContact O-CG1 3.24Å; K910-I914 WeakPolarHBondContact O-CG1 3.46Å; K910-I914 PolarHBondContact O-N 2.93Å; K910-I914 VanDerWaalsContact O-N 3.1Å; Q911-I914 WeakPolarHBondContact O-CB 3.48Å; Q911-I914 PolarHBondContact O-N 2.86Å; Q911-I914 VanDerWaalsContact O-N 3.14Å; L912-I914 VanDerWaalsContact C-N 3.32Å
915	E	63.1	Low	60.2	Low	135 Å²	135	99.3 Å²	99.3	63%	0.631	53%	0.529	S	S	*	.	H	α-helix	trans	-79.3	-36.1	-176.1	-72.2	173.3	-170.6	0	0	114.2	Q911 L912	Q911-E915 PolarHBondContact NE2-OE1 3.47Å; Q911-E915 PolarHBondContact O-N 2.85Å; L912-E915 PolarHBondContact O-N 2.83Å
916	A	60.4	Low	61.1	Low	49 Å²	49	96.3 Å²	96.3	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-101.7	-4.3	-166.3	0	0	0	0	0	116.1	L912 S918	L912-A916 VanDerWaalsContact O-CB 3.28Å; L912-A916 WeakPolarHBondContact O-CB 3.33Å; L912-A916 PolarHBondContact O-N 2.95Å; A916-S918 WeakPolarHBondContact O-CB 3.43Å; A916-S918 PolarHBondContact O-N 3.05Å; A916-S918 PolarHBondContact O-OG 2.65Å
917	N	54.6	Low	62.1	Low	163 Å²	163	98 Å²	98	87%	0.872	52%	0.52	S	S	*	.			trans	39.8	33.7	-178.9	-103.6	-7.1	0	0	0	114.6
918	S	50	Low	63.1	Low	62 Å²	62	100.6 Å²	100.6	43%	0.434	53%	0.525	S	S	.	.			trans	-142	133.5	-178.5	62.4	0	0	0	0	110.2	A916 N920	A916-S918 WeakPolarHBondContact O-CB 3.43Å; A916-S918 PolarHBondContact O-N 3.05Å; A916-S918 PolarHBondContact O-OG 2.65Å; S918-N920 VanDerWaalsContact C-N 3.31Å; S918-N920 PolarHBondContact O-N 3.07Å
919	S	50.2	Low	64.3	Low	111 Å²	111	100.7 Å²	100.7	78%	0.776	53%	0.525	S	S	*	.	S	Bend	trans	-84.6	2.7	-170.5	57.7	0	0	0	0	114.7
920	N	46.8	Very low	65.6	Low	149 Å²	149	98.4 Å²	98.4	80%	0.797	52%	0.519	S	S	*	.			trans	-120.3	69.6	-174.7	-92.1	-3.4	0	0	0	111.9	S918	S918-N920 VanDerWaalsContact C-N 3.31Å; S918-N920 PolarHBondContact O-N 3.07Å
921	T	47.1	Very low	66.8	Low	42 Å²	42	91.7 Å²	91.7	26%	0.258	49%	0.49	S	S	.	.			trans	-114.4	79.8	162.2	49.3	0	0	0	0	108.5	E923	T921-E923 PolarHBondContact O-N 3.03Å
922	N	50.3	Low	68.3	Low	167 Å²	167	87.2 Å²	87.2	89%	0.893	47%	0.469	S	S	*	.			trans	-83.2	33.5	167.7	-122.3	7.4	0	0	0	110.4	D924	N922-D924 PolarHBondContact O-N 3.25Å
923	E	54.2	Low	69.8	Low	153 Å²	153	84 Å²	84	72%	0.715	45%	0.452	S	S	*	.			trans	-74.3	127.1	180	-65.6	-164.3	155.2	0	0	109.4	T921 S925	T921-E923 PolarHBondContact O-N 3.03Å; E923-S925 PolarHBondContact O-N 3.3Å
924	D	60.1	Low	71.4	Confident	119 Å²	119	80.5 Å²	80.5	64%	0.636	44%	0.435	S	S	*	.			trans	-65.2	105.1	173.3	-162.9	-10	0	0	0	107.7	N922 S926	N922-D924 PolarHBondContact O-N 3.25Å; D924-S926 PolarHBondContact O-N 2.83Å; D924-S926 WeakPolarHBondContact OD1-CB 3.31Å; D924-S926 PolarHBondContact OD1-OG 2.94Å
925	S	69.4	Low	72.9	Confident	36 Å²	36	74.4 Å²	74.4	25%	0.252	40%	0.404	S	S	.	.			trans	-67.7	15.5	-179.4	-42	0	0	0	0	113.6	E923	E923-S925 PolarHBondContact O-N 3.3Å
926	S	83.6	Confident	74.4	Confident	23 Å²	23	68 Å²	68	16%	0.161	37%	0.374	C	S	.	.			trans	-72.9	131.1	-178.2	-64.2	0	0	0	0	110.6	I898 D924	I898-S926 CarbonylContact O-C 3.6Å; I898-S926 WeakPolarHBondContact O-CA 3.45Å; D924-S926 PolarHBondContact O-N 2.83Å; D924-S926 WeakPolarHBondContact OD1-CB 3.31Å; D924-S926 PolarHBondContact OD1-OG 2.94Å
927	R	86.9	Confident	76.1	Confident	106 Å²	106	65.7 Å²	65.7	40%	0.4	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.9	172.1	-61.2	-179.6	-177.3	176.5	0.1	109.7	V897 I898 F929 C1241	V897-R927 CarbonylContact C-O 3.6Å; V897-R927 WeakPolarHBondContact CA-O 3.33Å; I898-R927 HydrophobicContact CB-CB 4.26Å; I898-R927 PolarHBondContact N-O 3.01Å; I898-R927 PolarHBondContact O-N 2.7Å; R927-F929 HydrophobicContact CB-CE2 3.98Å; R927-C1241 PolarHBondContact NH1-SG 3.36Å
928	I	89.1	Confident	78.1	Confident	113 Å²	113	57.9 Å²	57.9	58%	0.579	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.7	-175.5	-57.1	177.4	0	0	0	109.4	T895 V896 V897	T895-I928 HydrophobicContact CG2-CG2 3.44Å; T895-I928 VanDerWaalsContact CG2-CG2 3.44Å; V896-I928 WeakPolarHBondContact O-CA 3.21Å; V897-I928 HydrophobicContact CG2-CG1 4.44Å
929	F	91	Very high	80.1	Confident	58 Å²	58	55 Å²	55	25%	0.254	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.5	174	-60.3	-92.3	0	0	0	110.4	T895 V896 I898 R927 V1081 W1086	T895-F929 CarbonylContact C-O 3.58Å; T895-F929 WeakPolarHBondContact CA-O 3.15Å; V896-F929 HydrophobicContact CB-CB 4.28Å; V896-F929 PolarHBondContact N-O 2.68Å; V896-F929 PolarHBondContact O-N 2.76Å; I898-F929 HydrophobicContact CD1-CD2 4.06Å; I898-F929 HydrophobicContact CD1-CE2 3.7Å; R927-F929 HydrophobicContact CB-CE2 3.98Å; F929-V1081 HydrophobicContact CB-CG1 4.46Å; F929-V1081 HydrophobicContact CB-CG2 4.41Å; F929-W1086 HydrophobicContact CE2-CH2 4.33Å; F929-W1086 HydrophobicContact CE2-CZ2 4.29Å
930	V	93.4	Very high	82.1	Confident	50 Å²	50	50.2 Å²	50.2	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.4	169.9	-177	0	0	0	0	109	R893 W894 L1100	R893-V930 HydrophobicContact CB-CG1 4.18Å; W894-V930 CarbonylContact O-C 3.56Å; W894-V930 VanDerWaalsContact O-CA 3.32Å; W894-V930 WeakPolarHBondContact O-CA 3.43Å; V930-L1100 HydrophobicContact CG2-CD1 4.42Å
931	M	95.4	Very high	84.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.9	178.5	-179.1	-169.8	92.4	0	0	110.5	W894 V896 F935 N1010 L1039 V1081 V1095	W894-M931 HydrophobicContact CB-CB 4.26Å; W894-M931 HydrophobicContact CB-CE 3.86Å; W894-M931 HydrophobicContact CG-CE 3.92Å; W894-M931 PolarHBondContact N-O 3.33Å; W894-M931 PolarHBondContact O-N 3.18Å; V896-M931 HydrophobicContact CG2-CB 3.95Å; V896-M931 HydrophobicContact CG2-SD 4.41Å; M931-F935 HydrophobicContact SD-CB 3.45Å; M931-F935 WeakPolarHBondContact SD-CB 3.46Å; M931-F935 PolarHBondContact SD-N 3Å; M931-N1010 HydrophobicContact CE-CB 4.04Å; M931-L1039 HydrophobicContact CE-CD1 4.11Å; M931-L1039 HydrophobicContact CE-CD2 3.56Å; M931-V1081 HydrophobicContact CB-CG1 3.86Å; M931-V1081 HydrophobicContact CG-CG1 4.15Å; M931-V1095 HydrophobicContact CE-CG1 4.48Å
932	N	95.5	Very high	86.5	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.032	22%	0.215	C	C	.	.	S	Bend	trans	-113.5	-29.2	-178.5	-49.2	-74.3	0	0	0	112.3	L891 R893 N1010 D1082	L891-N932 HydrophobicContact CD2-CB 4.49Å; R893-N932 PolarHBondContact NE-OD1 2.65Å; R893-N932 PolarHBondContact NH2-OD1 2.92Å; N932-N1010 PolarHBondContact O-ND2 2.85Å; N932-D1082 WeakPolarHBondContact CA-OD2 3.48Å; N932-D1082 VanDerWaalsContact CB-OD2 3.32Å; N932-D1082 WeakPolarHBondContact CB-OD2 3.48Å; N932-D1082 PolarHBondContact N-OD1 3.42Å; N932-D1082 PolarHBondContact N-OD2 3.12Å; N932-D1082 PolarHBondContact ND2-OD2 3.38Å
933	N	95.4	Very high	88.4	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.177	C	C	.	.	S	Bend	trans	-115.4	-65.6	-173	-63.7	-14.4	0	0	0	111.5	D801 N1010 I1011 D1082	D801-N933 WeakPolarHBondContact CB-ND2 3.5Å; N933-N1010 WeakPolarHBondContact O-CA 3.47Å; N933-N1010 VanDerWaalsContact O-CB 3.32Å; N933-N1010 WeakPolarHBondContact O-CB 3.43Å; N933-N1010 PolarHBondContact O-N 3.24Å; N933-I1011 HydrophobicContact CB-CD1 3.72Å; N933-I1011 HydrophobicContact CB-CG1 4.03Å; N933-I1011 PolarHBondContact O-N 3.21Å; N933-I1011 VanDerWaalsContact O-N 3.13Å; N933-D1082 WeakPolarHBondContact CA-OD1 3.48Å; N933-D1082 WeakPolarHBondContact CB-OD1 3.33Å; N933-D1082 PolarHBondContact N-OD1 2.89Å
934	Y	96.3	Very high	90.2	Very high	18 Å²	18	28.4 Å²	28.4	7%	0.071	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	159.4	-177	60.4	-96.7	0	0	0	112	I1008 W1014 D1082	Y934-I1008 CarbonylContact C-O 3.59Å; Y934-I1008 WeakPolarHBondContact CA-O 3.43Å; Y934-I1008 VanDerWaalsContact CB-O 3.22Å; Y934-I1008 WeakPolarHBondContact CB-O 3.34Å; Y934-W1014 HydrophobicContact CD1-CB 4.47Å; Y934-W1014 AromaticContact CD2-CD1 3.77Å; Y934-W1014 HydrophobicContact CE1-CB 4.45Å; Y934-W1014 AromaticContact CE2-CD1 3.52Å; Y934-W1014 AromaticContact CZ-CD1 3.7Å; Y934-D1082 PolarHBondContact N-OD1 2.86Å; Y934-D1082 VanDerWaalsContact N-OD1 3.12Å; Y934-D1082 PolarHBondContact O-N 2.74Å
935	F	97.2	Very high	91.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.2	171.5	171.2	-92.8	0	0	0	108.9	V896 M931 L937 I1007 I1008 I1071 V1079 Q1080 V1081 I1093	V896-F935 HydrophobicContact CG1-CD2 4.46Å; V896-F935 HydrophobicContact CG1-CE2 4.41Å; M931-F935 HydrophobicContact SD-CB 3.45Å; M931-F935 WeakPolarHBondContact SD-CB 3.46Å; M931-F935 PolarHBondContact SD-N 3Å; F935-L937 HydrophobicContact CE1-CB 3.79Å; F935-L937 HydrophobicContact CE1-CD1 4.15Å; F935-L937 HydrophobicContact CZ-CB 4.27Å; F935-L937 HydrophobicContact CZ-CD1 4.3Å; F935-I1007 CarbonylContact O-C 3.56Å; F935-I1007 WeakPolarHBondContact O-CA 3.24Å; F935-I1008 HydrophobicContact CB-CB 4.27Å; F935-I1008 HydrophobicContact CD1-CD1 3.9Å; F935-I1008 HydrophobicContact CD1-CG1 4.35Å; F935-I1008 PolarHBondContact N-O 3.48Å; F935-I1008 PolarHBondContact O-N 3.47Å; F935-I1071 HydrophobicContact CD1-CD1 4.48Å; F935-I1071 HydrophobicContact CE1-CD1 3.8Å; F935-V1079 HydrophobicContact CE2-CB 4.13Å; F935-V1079 HydrophobicContact CZ-CB 4.04Å; F935-V1079 HydrophobicContact CZ-CG1 4.07Å; F935-Q1080 WeakPolarHBondContact CA-O 3.46Å; F935-Q1080 WeakPolarHBondContact CD2-O 3.48Å; F935-V1081 HydrophobicContact CD2-CG2 3.64Å; F935-V1081 HydrophobicContact CE2-CG2 4.19Å; F935-I1093 HydrophobicContact CE2-CG2 4.39Å; F935-I1093 HydrophobicContact CZ-CD1 3.84Å; F935-I1093 HydrophobicContact CZ-CG2 4.11Å
936	G	96.2	Very high	92.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.7	179.1	0	0	0	0	0	110.8	V1079 Q1080	G936-V1079 CarbonylContact O-C 3.5Å; G936-V1079 VanDerWaalsContact O-CA 3.24Å; G936-V1079 WeakPolarHBondContact O-CA 3.37Å; G936-Q1080 PolarHBondContact N-O 3.12Å; G936-Q1080 PolarHBondContact O-N 3.28Å
937	L	95.9	Very high	92.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.2	178.3	176.6	151.2	0	0	0	109.6	F935 L985 I989 G1005 V1006 I1071 V1073 I1077 V1079 I1093	F935-L937 HydrophobicContact CE1-CB 3.79Å; F935-L937 HydrophobicContact CE1-CD1 4.15Å; F935-L937 HydrophobicContact CZ-CB 4.27Å; F935-L937 HydrophobicContact CZ-CD1 4.3Å; L937-L985 HydrophobicContact CD2-CD1 3.64Å; L937-L985 HydrophobicContact CD2-CD2 3.75Å; L937-L985 HydrophobicContact CD2-CG 4.17Å; L937-I989 HydrophobicContact CD2-CD1 3.83Å; L937-I989 HydrophobicContact CD2-CG2 4.23Å; L937-G1005 CarbonylContact O-C 3.52Å; L937-G1005 WeakPolarHBondContact O-CA 3.49Å; L937-V1006 PolarHBondContact N-O 3.08Å; L937-V1006 PolarHBondContact O-N 2.91Å; L937-I1071 HydrophobicContact CD1-CD1 4.26Å; L937-I1071 HydrophobicContact CD1-CG2 4.07Å; L937-V1073 HydrophobicContact CD1-CG2 4.21Å; L937-I1077 HydrophobicContact CD1-CD1 4.46Å; L937-I1077 HydrophobicContact CD2-CD1 3.46Å; L937-I1077 VanDerWaalsContact CD2-CD1 3.46Å; L937-I1077 HydrophobicContact CG-CD1 3.76Å; L937-V1079 HydrophobicContact CB-CG1 4.17Å; L937-V1079 HydrophobicContact CD1-CG1 3.92Å; L937-V1079 HydrophobicContact CG-CG1 3.95Å; L937-I1093 HydrophobicContact CD1-CD1 4.27Å
938	G	95.2	Very high	93	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-140.4	-176.5	0	0	0	0	0	113.3	D940 A941 D942 P1078	G938-D940 VanDerWaalsContact C-N 3.27Å; G938-D940 PolarHBondContact O-N 3.31Å; G938-D940 VanDerWaalsContact O-N 3.13Å; G938-A941 PolarHBondContact O-N 2.89Å; G938-A941 VanDerWaalsContact O-N 3.1Å; G938-D942 PolarHBondContact O-N 3.22Å; G938-P1078 PolarHBondContact N-O 2.79Å
939	I	92.3	Very high	93	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.1	-33.5	-167.2	-171.1	54.5	0	0	0	115.1	D942 L943 K975 T980 E1004 V1044 V1047 M1050	I939-D942 WeakPolarHBondContact O-CB 3.27Å; I939-D942 PolarHBondContact O-N 3.02Å; I939-L943 WeakPolarHBondContact O-CG 3.41Å; I939-L943 PolarHBondContact O-N 3.06Å; I939-K975 HydrophobicContact CD1-CD 4.11Å; I939-T980 HydrophobicContact CD1-CG2 3.43Å; I939-T980 VanDerWaalsContact CD1-CG2 3.43Å; I939-E1004 HydrophobicContact CB-CB 4.23Å; I939-E1004 HydrophobicContact CG2-CB 4.04Å; I939-E1004 PolarHBondContact N-O 3.35Å; I939-V1044 HydrophobicContact CG2-CG2 3.82Å; I939-V1047 HydrophobicContact CD1-CG2 4Å; I939-V1047 HydrophobicContact CG1-CG2 3.85Å; I939-M1050 HydrophobicContact CG1-SD 4.22Å; I939-M1050 HydrophobicContact CG2-SD 3.72Å
940	D	91.9	Very high	92.8	Very high	11 Å²	11	16.6 Å²	16.6	6%	0.059	9%	0.089	C	C	.	.	H	α-helix	trans	-64.7	-52.8	175.3	167.8	53.5	0	0	0	112.1	G938 D942 L943 N944 I1007 W1014 M1050 Q1080	G938-D940 VanDerWaalsContact C-N 3.27Å; G938-D940 PolarHBondContact O-N 3.31Å; G938-D940 VanDerWaalsContact O-N 3.13Å; D940-D942 PolarHBondContact O-N 3.19Å; D940-L943 PolarHBondContact O-N 2.87Å; D940-N944 PolarHBondContact O-N 3.14Å; D940-I1007 HydrophobicContact CB-CD1 4.46Å; D940-I1007 HydrophobicContact CB-CG1 4.4Å; D940-W1014 HydrophobicContact CB-CZ2 4.23Å; D940-W1014 VanDerWaalsContact CG-NE1 3.29Å; D940-W1014 WeakPolarHBondContact OD1-CZ2 3.46Å; D940-W1014 PolarHBondContact OD1-NE1 3.12Å; D940-W1014 VanDerWaalsContact OD1-NE1 3.08Å; D940-W1014 PolarHBondContact OD2-NE1 3.37Å; D940-M1050 HydrophobicContact CB-CE 3.89Å; D940-Q1080 PolarHBondContact OD1-NE2 3.07Å; D940-Q1080 PolarHBondContact OD2-NE2 3.19Å
941	A	94	Very high	92.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-35.6	176.2	0	0	0	0	0	112.1	G938 N944 L945 P1078 Q1080	G938-A941 PolarHBondContact O-N 2.89Å; G938-A941 VanDerWaalsContact O-N 3.1Å; A941-N944 PolarHBondContact O-N 2.85Å; A941-L945 WeakPolarHBondContact O-CB 3.33Å; A941-L945 PolarHBondContact O-N 2.88Å; A941-P1078 VanDerWaalsContact CB-C 3.47Å; A941-P1078 HydrophobicContact CB-CB 4.07Å; A941-P1078 WeakPolarHBondContact CB-O 3.42Å; A941-Q1080 HydrophobicContact CB-CB 4.14Å; A941-Q1080 HydrophobicContact CB-CG 3.92Å
942	D	93.4	Very high	91.6	Very high	26 Å²	26	23.7 Å²	23.7	14%	0.139	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-42.7	177	-163.8	29.5	0	0	0	111.7	G938 I939 D940 N944 L945 D946 K975 P1078	G938-D942 PolarHBondContact O-N 3.22Å; I939-D942 WeakPolarHBondContact O-CB 3.27Å; I939-D942 PolarHBondContact O-N 3.02Å; D940-D942 PolarHBondContact O-N 3.19Å; D942-N944 VanDerWaalsContact C-N 3.33Å; D942-L945 PolarHBondContact O-N 3.29Å; D942-D946 PolarHBondContact O-N 3.1Å; D942-K975 PolarHBondContact O-NZ 3.41Å; D942-K975 IonicContact OD1-NZ 3.43Å; D942-K975 PolarHBondContact OD1-NZ 3.44Å; D942-K975 WeakPolarHBondContact OD2-CD 3.42Å; D942-K975 IonicContact OD2-NZ 2.76Å; D942-K975 PolarHBondContact OD2-NZ 3.38Å; D942-P1078 HydrophobicContact CB-CB 3.97Å; D942-P1078 HydrophobicContact CB-CG 3.58Å
943	L	90.8	Very high	91.2	Very high	18 Å²	18	30.5 Å²	30.5	9%	0.094	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-37.8	174	-74.5	170.7	0	0	0	111.8	I939 D940 F947 M971 K975 V1047 M1050	I939-L943 WeakPolarHBondContact O-CG 3.41Å; I939-L943 PolarHBondContact O-N 3.06Å; D940-L943 PolarHBondContact O-N 2.87Å; L943-F947 PolarHBondContact O-N 2.76Å; L943-M971 HydrophobicContact CD2-CB 4.29Å; L943-K975 HydrophobicContact CD2-CB 4.2Å; L943-K975 HydrophobicContact CD2-CD 3.64Å; L943-K975 HydrophobicContact CD2-CG 3.93Å; L943-K975 HydrophobicContact CG-CD 4.19Å; L943-V1047 HydrophobicContact CD1-CG2 4.48Å; L943-M1050 HydrophobicContact CD1-CE 3.85Å; L943-M1050 HydrophobicContact CD1-SD 4.14Å
944	N	91.5	Very high	90.5	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-35.5	177	-165	22.7	0	0	0	112.3	D940 A941 D942 F947 H948 Y968 Q1080 G1083 P1085	D940-N944 PolarHBondContact O-N 3.14Å; A941-N944 PolarHBondContact O-N 2.85Å; D942-N944 VanDerWaalsContact C-N 3.33Å; N944-F947 WeakPolarHBondContact O-CB 3.18Å; N944-F947 PolarHBondContact O-N 3.4Å; N944-H948 WeakPolarHBondContact O-CB 3.42Å; N944-H948 PolarHBondContact O-N 2.8Å; N944-Y968 PolarHBondContact OD1-OH 3.46Å; N944-Q1080 PolarHBondContact ND2-OE1 3.47Å; N944-G1083 WeakPolarHBondContact ND2-CA 3.34Å; N944-G1083 PolarHBondContact ND2-O 3.11Å; N944-P1085 HydrophobicContact CB-CB 4.31Å
945	L	91.8	Very high	89.7	Confident	15 Å²	15	36.1 Å²	36.1	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-47.8	176.5	-172.3	62.1	0	0	0	112	A941 D942 F947 H948 M949 P1085 I1087	A941-L945 WeakPolarHBondContact O-CB 3.33Å; A941-L945 PolarHBondContact O-N 2.88Å; D942-L945 PolarHBondContact O-N 3.29Å; L945-F947 VanDerWaalsContact C-N 3.26Å; L945-F947 PolarHBondContact O-N 3.02Å; L945-H948 PolarHBondContact O-N 3.42Å; L945-H948 VanDerWaalsContact O-N 3.14Å; L945-M949 HydrophobicContact CD1-CE 3.94Å; L945-M949 HydrophobicContact CD2-CE 4.16Å; L945-M949 HydrophobicContact CG-CE 3.91Å; L945-M949 HydrophobicContact CG-SD 4.26Å; L945-M949 WeakPolarHBondContact O-CG 3.42Å; L945-M949 PolarHBondContact O-N 3.42Å; L945-P1085 HydrophobicContact CB-CB 4Å; L945-P1085 HydrophobicContact CB-CG 4.28Å; L945-P1085 HydrophobicContact CD1-CB 4.02Å; L945-P1085 HydrophobicContact CD1-CG 3.98Å; L945-I1087 HydrophobicContact CD2-CD1 3.41Å; L945-I1087 VanDerWaalsContact CD2-CD1 3.41Å; L945-I1087 HydrophobicContact CD2-CG1 3.81Å
946	D	90.3	Very high	88.7	Confident	45 Å²	45	39.9 Å²	39.9	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-42.6	174.2	-75.2	21.2	0	0	0	111.4	D942 A950 M971 K975	D942-D946 PolarHBondContact O-N 3.1Å; D946-A950 WeakPolarHBondContact O-CB 3.49Å; D946-A950 PolarHBondContact O-N 3.41Å; D946-A950 VanDerWaalsContact O-N 3.08Å; D946-M971 HydrophobicContact CB-CE 4.21Å; D946-M971 HydrophobicContact CB-CG 4.32Å; D946-M971 HydrophobicContact CB-SD 3.93Å; D946-M971 VanDerWaalsContact O-CE 3.26Å; D946-M971 WeakPolarHBondContact O-CE 3.48Å; D946-K975 VanDerWaalsContact CG-CE 3.45Å; D946-K975 IonicContact OD1-NZ 3.28Å; D946-K975 PolarHBondContact OD1-NZ 3.41Å; D946-K975 WeakPolarHBondContact OD2-CE 3.19Å; D946-K975 IonicContact OD2-NZ 3.42Å; D946-K975 PolarHBondContact OD2-NZ 3.38Å; D946-K975 VanDerWaalsContact OD2-NZ 3.11Å
947	F	88.2	Confident	87.9	Confident	11 Å²	11	45.9 Å²	45.9	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-42.8	177.4	-178.7	-90.2	0	0	0	112	L943 N944 L945 R951 F958 N964 V967 Y968 M971	L943-F947 PolarHBondContact O-N 2.76Å; N944-F947 WeakPolarHBondContact O-CB 3.18Å; N944-F947 PolarHBondContact O-N 3.4Å; L945-F947 VanDerWaalsContact C-N 3.26Å; L945-F947 PolarHBondContact O-N 3.02Å; F947-R951 WeakPolarHBondContact O-CB 3.47Å; F947-R951 PolarHBondContact O-N 2.82Å; F947-F958 HydrophobicContact CD2-CE1 4.02Å; F947-F958 HydrophobicContact CE1-CD1 4.38Å; F947-F958 AromaticContact CE2-CD1 3.77Å; F947-F958 HydrophobicContact CE2-CD1 3.77Å; F947-F958 AromaticContact CE2-CE1 3.53Å; F947-F958 HydrophobicContact CE2-CE1 3.53Å; F947-F958 AromaticContact CZ-CD1 3.62Å; F947-F958 HydrophobicContact CZ-CD1 3.62Å; F947-F958 AromaticContact CZ-CE1 3.82Å; F947-F958 HydrophobicContact CZ-CE1 3.82Å; F947-N964 HydrophobicContact CE2-CB 4.08Å; F947-N964 WeakPolarHBondContact CE2-O 3.4Å; F947-N964 HydrophobicContact CZ-CB 3.89Å; F947-V967 HydrophobicContact CD2-CB 4.35Å; F947-V967 HydrophobicContact CD2-CG1 3.94Å; F947-V967 HydrophobicContact CE2-CB 4.24Å; F947-V967 HydrophobicContact CE2-CG1 4.24Å; F947-Y968 HydrophobicContact CB-CD1 4.05Å; F947-Y968 HydrophobicContact CB-CE1 3.49Å; F947-Y968 VanDerWaalsContact CB-CE1 3.49Å; F947-Y968 HydrophobicContact CB-CE2 4.25Å; F947-Y968 HydrophobicContact CD1-CD2 4.49Å; F947-Y968 HydrophobicContact CD1-CE1 4.13Å; F947-Y968 AromaticContact CD1-CE2 3.54Å; F947-Y968 HydrophobicContact CD1-CE2 3.54Å; F947-Y968 AromaticContact CD1-CZ 3.31Å; F947-Y968 WeakPolarHBondContact CD1-OH 3.37Å; F947-Y968 HydrophobicContact CD2-CD1 4.06Å; F947-Y968 AromaticContact CD2-CD2 3.38Å; F947-Y968 HydrophobicContact CD2-CD2 3.38Å; F947-Y968 AromaticContact CD2-CE1 3.94Å; F947-Y968 HydrophobicContact CD2-CE1 3.94Å; F947-Y968 AromaticContact CD2-CE2 3.25Å; F947-Y968 HydrophobicContact CD2-CE2 3.25Å; F947-Y968 AromaticContact CD2-CG 3.79Å; F947-Y968 HydrophobicContact CD2-CG 3.79Å; F947-Y968 AromaticContact CD2-CZ 3.55Å; F947-Y968 AromaticContact CE1-CE2 3.55Å; F947-Y968 HydrophobicContact CE1-CE2 3.55Å; F947-Y968 AromaticContact CE1-CZ 3.79Å; F947-Y968 AromaticContact CE2-CD2 3.4Å; F947-Y968 HydrophobicContact CE2-CD2 3.4Å; F947-Y968 VanDerWaalsContact CE2-CD2 3.4Å; F947-Y968 AromaticContact CE2-CE2 3.26Å; F947-Y968 HydrophobicContact CE2-CE2 3.26Å; F947-Y968 HydrophobicContact CE2-CG 4.24Å; F947-Y968 HydrophobicContact CG-CD1 4.14Å; F947-Y968 AromaticContact CG-CD2 3.96Å; F947-Y968 HydrophobicContact CG-CD2 3.96Å; F947-Y968 AromaticContact CG-CE1 3.59Å; F947-Y968 HydrophobicContact CG-CE1 3.59Å; F947-Y968 AromaticContact CG-CE2 3.39Å; F947-Y968 HydrophobicContact CG-CE2 3.39Å; F947-Y968 HydrophobicContact CG-CG 4.31Å; F947-Y968 AromaticContact CG-CZ 3.17Å; F947-Y968 WeakPolarHBondContact CG-OH 3.33Å; F947-Y968 HydrophobicContact CZ-CD2 4.01Å; F947-Y968 AromaticContact CZ-CE2 3.42Å; F947-Y968 HydrophobicContact CZ-CE2 3.42Å; F947-Y968 VanDerWaalsContact CZ-CE2 3.42Å; F947-M971 VanDerWaalsContact CA-SD 3.52Å; F947-M971 HydrophobicContact CB-CE 4.49Å; F947-M971 HydrophobicContact CB-SD 3.8Å; F947-M971 HydrophobicContact CD2-SD 4.31Å; F947-M971 PolarHBondContact N-SD 3.33Å
948	H	87.5	Confident	87.1	Confident	19 Å²	19	46.9 Å²	46.9	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-50.1	179	-171.3	104.5	0	0	0	111.3	N944 L945 A950 R951 E952 E1084 P1085	N944-H948 WeakPolarHBondContact O-CB 3.42Å; N944-H948 PolarHBondContact O-N 2.8Å; L945-H948 PolarHBondContact O-N 3.42Å; L945-H948 VanDerWaalsContact O-N 3.14Å; H948-A950 PolarHBondContact O-N 2.68Å; H948-R951 PolarHBondContact ND1-NH2 3.09Å; H948-R951 WeakPolarHBondContact O-CA 3.28Å; H948-R951 WeakPolarHBondContact O-CB 3.48Å; H948-R951 PolarHBondContact O-N 3.2Å; H948-R951 VanDerWaalsContact O-N 3.09Å; H948-E952 VanDerWaalsContact CD2-CD 3.48Å; H948-E952 IonicContact CD2-OE1 3.67Å; H948-E952 IonicContact CD2-OE2 2.74Å; H948-E952 VanDerWaalsContact NE2-CD 3.33Å; H948-E952 IonicContact NE2-OE1 2.67Å; H948-E952 PolarHBondContact NE2-OE1 3.17Å; H948-E952 IonicContact NE2-OE2 2.98Å; H948-E952 WeakPolarHBondContact O-CG 3.38Å; H948-E952 PolarHBondContact O-N 3.26Å; H948-E1084 IonicContact CE1-OE2 3.11Å; H948-E1084 PolarHBondContact CE1-OE2 3.22Å; H948-E1084 IonicContact ND1-OE2 2.73Å; H948-P1085 HydrophobicContact CB-CG 3.54Å
949	M	88.9	Confident	85.9	Confident	94 Å²	94	50.4 Å²	50.4	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-45.6	178.1	-70.1	175.6	168.6	0	0	111.8	L945 R951 E952 E953	L945-M949 HydrophobicContact CD1-CE 3.94Å; L945-M949 HydrophobicContact CD2-CE 4.16Å; L945-M949 HydrophobicContact CG-CE 3.91Å; L945-M949 HydrophobicContact CG-SD 4.26Å; L945-M949 WeakPolarHBondContact O-CG 3.42Å; L945-M949 PolarHBondContact O-N 3.42Å; M949-R951 PolarHBondContact O-N 3.07Å; M949-E952 PolarHBondContact O-N 3.39Å; M949-E952 VanDerWaalsContact O-N 3.16Å; M949-E953 WeakPolarHBondContact O-CG 2.98Å; M949-E953 PolarHBondContact O-N 2.98Å
950	A	87	Confident	85.2	Confident	23 Å²	23	53 Å²	53	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-35.1	177.1	0	0	0	0	0	112.3	D946 H948 N954 F958 M971	D946-A950 WeakPolarHBondContact O-CB 3.49Å; D946-A950 PolarHBondContact O-N 3.41Å; D946-A950 VanDerWaalsContact O-N 3.08Å; H948-A950 PolarHBondContact O-N 2.68Å; A950-N954 PolarHBondContact O-N 2.69Å; A950-F958 VanDerWaalsContact C-CE2 3.47Å; A950-F958 HydrophobicContact CB-CE2 4.35Å; A950-F958 HydrophobicContact CB-CZ 3.71Å; A950-F958 WeakPolarHBondContact O-CE2 3.35Å; A950-M971 HydrophobicContact CB-CE 3.6Å
951	R	83.7	Confident	84.4	Confident	98 Å²	98	55 Å²	55	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-38.8	175.6	-175.2	-177.9	70.4	167.6	0.7	112.2	F947 H948 M949 N954 P955 F958	F947-R951 WeakPolarHBondContact O-CB 3.47Å; F947-R951 PolarHBondContact O-N 2.82Å; H948-R951 PolarHBondContact ND1-NH2 3.09Å; H948-R951 WeakPolarHBondContact O-CA 3.28Å; H948-R951 WeakPolarHBondContact O-CB 3.48Å; H948-R951 PolarHBondContact O-N 3.2Å; H948-R951 VanDerWaalsContact O-N 3.09Å; M949-R951 PolarHBondContact O-N 3.07Å; R951-N954 CarbonylContact O-C 3.56Å; R951-P955 WeakPolarHBondContact O-CA 3.32Å; R951-P955 WeakPolarHBondContact O-CD 3.22Å; R951-F958 HydrophobicContact CB-CD1 4.01Å; R951-F958 HydrophobicContact CB-CD2 4.07Å; R951-F958 HydrophobicContact CB-CE1 4.17Å; R951-F958 HydrophobicContact CB-CE2 4.26Å; R951-F958 HydrophobicContact CB-CG 3.95Å; R951-F958 HydrophobicContact CB-CZ 4.29Å; R951-F958 HydrophobicContact CG-CB 3.89Å; R951-F958 HydrophobicContact CG-CD1 4.18Å; R951-F958 HydrophobicContact CG-CD2 4.17Å; R951-F958 HydrophobicContact CG-CG 3.82Å
952	E	81.3	Confident	83.8	Confident	102 Å²	102	61.3 Å²	61.3	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-68.2	-40.5	176.8	-72.6	-168.7	135.9	0	0	112.5	H948 M949 N954	H948-E952 VanDerWaalsContact CD2-CD 3.48Å; H948-E952 IonicContact CD2-OE1 3.67Å; H948-E952 IonicContact CD2-OE2 2.74Å; H948-E952 VanDerWaalsContact NE2-CD 3.33Å; H948-E952 IonicContact NE2-OE1 2.67Å; H948-E952 PolarHBondContact NE2-OE1 3.17Å; H948-E952 IonicContact NE2-OE2 2.98Å; H948-E952 WeakPolarHBondContact O-CG 3.38Å; H948-E952 PolarHBondContact O-N 3.26Å; M949-E952 PolarHBondContact O-N 3.39Å; M949-E952 VanDerWaalsContact O-N 3.16Å; E952-N954 VanDerWaalsContact C-N 3.31Å; E952-N954 PolarHBondContact O-N 2.88Å
953	E	86.2	Confident	83.3	Confident	148 Å²	148	63.8 Å²	63.8	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-63.9	-36	176.5	-72.5	177.1	-179.5	0	0	112.5	M949	M949-E953 WeakPolarHBondContact O-CG 2.98Å; M949-E953 PolarHBondContact O-N 2.98Å
954	N	81.9	Confident	83	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	33%	0.328	S	S	.	.			trans	-141.1	63.3	-172.5	-70.4	-90.6	0	0	0	113.2	A950 R951 E952 A956 K957 F958	A950-N954 PolarHBondContact O-N 2.69Å; R951-N954 CarbonylContact O-C 3.56Å; E952-N954 VanDerWaalsContact C-N 3.31Å; E952-N954 PolarHBondContact O-N 2.88Å; N954-A956 PolarHBondContact O-N 2.87Å; N954-K957 HydrophobicContact CB-CB 4.35Å; N954-K957 HydrophobicContact CB-CD 3.82Å; N954-K957 HydrophobicContact CB-CG 4.09Å; N954-K957 PolarHBondContact O-N 3.14Å; N954-K957 PolarHBondContact OD1-NZ 2.57Å; N954-F958 WeakPolarHBondContact O-CD2 3.13Å
955	P	78.3	Confident	82.6	Confident	77 Å²	77	68.2 Å²	68.2	50%	0.5	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-57.8	-32.4	-172.8	21.7	-33.8	0	0	0	113.1	R951 K957 F958	R951-P955 WeakPolarHBondContact O-CA 3.32Å; R951-P955 WeakPolarHBondContact O-CD 3.22Å; P955-K957 PolarHBondContact O-N 3.36Å; P955-F958 PolarHBondContact O-N 2.72Å; P955-F958 VanDerWaalsContact O-N 3.11Å
956	A	76.4	Confident	82.3	Confident	79 Å²	79	70.6 Å²	70.6	65%	0.653	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-61.8	-25.2	178	0	0	0	0	0	114.2	N954 N959	N954-A956 PolarHBondContact O-N 2.87Å; A956-N959 PolarHBondContact O-ND2 2.84Å
957	K	79.5	Confident	82.1	Confident	125 Å²	125	69.6 Å²	69.6	54%	0.543	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-77.4	-23.4	177.4	-67	-178.9	-176.5	163.2	0	112.3	N954 P955 N959 H963	N954-K957 HydrophobicContact CB-CB 4.35Å; N954-K957 HydrophobicContact CB-CD 3.82Å; N954-K957 HydrophobicContact CB-CG 4.09Å; N954-K957 PolarHBondContact O-N 3.14Å; N954-K957 PolarHBondContact OD1-NZ 2.57Å; P955-K957 PolarHBondContact O-N 3.36Å; K957-N959 VanDerWaalsContact C-N 3.33Å; K957-N959 PolarHBondContact O-N 2.8Å; K957-H963 PolarHBondContact O-CD2 2.87Å
958	F	78.8	Confident	81.8	Confident	21 Å²	21	73 Å²	73	9%	0.092	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-94.1	22	-171.2	-71.2	-99.8	0	0	0	114.7	F947 A950 R951 N954 P955 S960 N964 V967	F947-F958 HydrophobicContact CD2-CE1 4.02Å; F947-F958 HydrophobicContact CE1-CD1 4.38Å; F947-F958 AromaticContact CE2-CD1 3.77Å; F947-F958 HydrophobicContact CE2-CD1 3.77Å; F947-F958 AromaticContact CE2-CE1 3.53Å; F947-F958 HydrophobicContact CE2-CE1 3.53Å; F947-F958 AromaticContact CZ-CD1 3.62Å; F947-F958 HydrophobicContact CZ-CD1 3.62Å; F947-F958 AromaticContact CZ-CE1 3.82Å; F947-F958 HydrophobicContact CZ-CE1 3.82Å; A950-F958 VanDerWaalsContact C-CE2 3.47Å; A950-F958 HydrophobicContact CB-CE2 4.35Å; A950-F958 HydrophobicContact CB-CZ 3.71Å; A950-F958 WeakPolarHBondContact O-CE2 3.35Å; R951-F958 HydrophobicContact CB-CD1 4.01Å; R951-F958 HydrophobicContact CB-CD2 4.07Å; R951-F958 HydrophobicContact CB-CE1 4.17Å; R951-F958 HydrophobicContact CB-CE2 4.26Å; R951-F958 HydrophobicContact CB-CG 3.95Å; R951-F958 HydrophobicContact CB-CZ 4.29Å; R951-F958 HydrophobicContact CG-CB 3.89Å; R951-F958 HydrophobicContact CG-CD1 4.18Å; R951-F958 HydrophobicContact CG-CD2 4.17Å; R951-F958 HydrophobicContact CG-CG 3.82Å; N954-F958 WeakPolarHBondContact O-CD2 3.13Å; P955-F958 PolarHBondContact O-N 2.72Å; P955-F958 VanDerWaalsContact O-N 3.11Å; F958-S960 VanDerWaalsContact C-N 3.33Å; F958-S960 PolarHBondContact O-N 2.97Å; F958-N964 WeakPolarHBondContact CA-OD1 3.42Å; F958-N964 WeakPolarHBondContact CB-OD1 3.27Å; F958-N964 WeakPolarHBondContact CD1-OD1 3.22Å; F958-N964 PolarHBondContact O-ND2 2.86Å; F958-N964 PolarHBondContact O-OD1 2.84Å; F958-V967 HydrophobicContact CE1-CB 4.32Å; F958-V967 HydrophobicContact CE1-CG1 3.96Å; F958-V967 HydrophobicContact CE1-CG2 4.27Å; F958-V967 HydrophobicContact CZ-CG1 4.19Å
959	N	71.1	Confident	81.7	Confident	75 Å²	75	77.6 Å²	77.6	40%	0.401	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-80.9	-9	-179.1	-71.3	-38.5	0	0	0	113.8	G753 A956 K957	G753-N959 WeakPolarHBondContact CA-O 3.41Å; G753-N959 PolarHBondContact N-O 3.42Å; A956-N959 PolarHBondContact O-ND2 2.84Å; K957-N959 VanDerWaalsContact C-N 3.33Å; K957-N959 PolarHBondContact O-N 2.8Å
960	S	77.1	Confident	81.7	Confident	54 Å²	54	79.8 Å²	79.8	38%	0.378	41%	0.407	S	S	.	.			trans	-110.4	124.3	-180	170.1	0	0	0	0	111.2	F958 I962 H963 N964	F958-S960 VanDerWaalsContact C-N 3.33Å; F958-S960 PolarHBondContact O-N 2.97Å; S960-I962 VanDerWaalsContact C-N 3.26Å; S960-I962 PolarHBondContact O-N 3.37Å; S960-I962 PolarHBondContact OG-N 3.49Å; S960-H963 PolarHBondContact O-N 2.99Å; S960-H963 PolarHBondContact OG-N 3.48Å; S960-N964 WeakPolarHBondContact O-CB 3.32Å; S960-N964 PolarHBondContact O-N 2.96Å; S960-N964 PolarHBondContact O-ND2 2.86Å; S960-N964 PolarHBondContact O-OD1 3.28Å
961	R	75.4	Confident	81.7	Confident	52 Å²	52	79.9 Å²	79.9	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-59.7	-35.7	175.6	-71.2	-178.6	-67.2	171.9	-8.5	112.8	G831 Y846 K965	G831-R961 WeakPolarHBondContact O-CD 3.47Å; Y846-R961 PolarHBondContact O-NH2 2.79Å; R961-K965 WeakPolarHBondContact O-CG 3.39Å; R961-K965 PolarHBondContact O-N 3.16Å
962	I	81.5	Confident	81.7	Confident	134 Å²	134	75.7 Å²	75.7	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-67.1	-47.6	177.4	-62.9	172.9	0	0	0	109	S960 N964 K965 S966	S960-I962 VanDerWaalsContact C-N 3.26Å; S960-I962 PolarHBondContact O-N 3.37Å; S960-I962 PolarHBondContact OG-N 3.49Å; I962-N964 PolarHBondContact O-N 2.63Å; I962-K965 PolarHBondContact O-N 3.21Å; I962-S966 PolarHBondContact O-N 3.48Å; I962-S966 PolarHBondContact O-OG 2.78Å
963	H	83.2	Confident	81.9	Confident	78 Å²	78	74.3 Å²	74.3	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-59.5	-46.6	176.8	-178.5	69.7	0	0	0	111.5	K957 S960 K965 S966 V967	K957-H963 PolarHBondContact O-CD2 2.87Å; S960-H963 PolarHBondContact O-N 2.99Å; S960-H963 PolarHBondContact OG-N 3.48Å; H963-K965 VanDerWaalsContact C-N 3.31Å; H963-K965 PolarHBondContact O-N 3.09Å; H963-S966 CarbonylContact O-C 3.58Å; H963-S966 WeakPolarHBondContact O-CA 3.39Å; H963-S966 WeakPolarHBondContact O-CB 3.44Å; H963-S966 PolarHBondContact O-N 2.77Å; H963-V967 WeakPolarHBondContact O-CG2 3.41Å; H963-V967 PolarHBondContact O-N 3.37Å
964	N	83.5	Confident	81.9	Confident	10 Å²	10	75.5 Å²	75.5	5%	0.053	38%	0.384	C	S	.	.	H	α-helix	trans	-57.8	-44.2	178.3	-65	-6.8	0	0	0	111.5	T832 F947 F958 S960 I962 V967 Y968	T832-N964 HydrophobicContact CG2-CB 3.89Å; T832-N964 PolarHBondContact OG1-ND2 3.46Å; T832-N964 VanDerWaalsContact OG1-ND2 3.12Å; F947-N964 HydrophobicContact CE2-CB 4.08Å; F947-N964 WeakPolarHBondContact CE2-O 3.4Å; F947-N964 HydrophobicContact CZ-CB 3.89Å; F958-N964 WeakPolarHBondContact CA-OD1 3.42Å; F958-N964 WeakPolarHBondContact CB-OD1 3.27Å; F958-N964 WeakPolarHBondContact CD1-OD1 3.22Å; F958-N964 PolarHBondContact O-ND2 2.86Å; F958-N964 PolarHBondContact O-OD1 2.84Å; S960-N964 WeakPolarHBondContact O-CB 3.32Å; S960-N964 PolarHBondContact O-N 2.96Å; S960-N964 PolarHBondContact O-ND2 2.86Å; S960-N964 PolarHBondContact O-OD1 3.28Å; I962-N964 PolarHBondContact O-N 2.63Å; N964-V967 PolarHBondContact O-N 3.19Å; N964-Y968 WeakPolarHBondContact O-CD2 3.13Å; N964-Y968 PolarHBondContact O-N 2.74Å; N964-Y968 VanDerWaalsContact O-N 3.1Å
965	K	83.8	Confident	82	Confident	109 Å²	109	73.5 Å²	73.5	47%	0.474	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-40.7	174.3	-74.1	-178.6	177.3	-168.3	0	112.6	T832 R961 I962 H963 V967 Y968 L969	T832-K965 HydrophobicContact CG2-CG 4.23Å; R961-K965 WeakPolarHBondContact O-CG 3.39Å; R961-K965 PolarHBondContact O-N 3.16Å; I962-K965 PolarHBondContact O-N 3.21Å; H963-K965 VanDerWaalsContact C-N 3.31Å; H963-K965 PolarHBondContact O-N 3.09Å; K965-V967 VanDerWaalsContact C-N 3.33Å; K965-Y968 PolarHBondContact O-N 2.69Å; K965-L969 PolarHBondContact O-N 3.04Å
966	S	85.4	Confident	82.1	Confident	66 Å²	66	74.7 Å²	74.7	46%	0.462	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-37.9	175.4	-62.9	0	0	0	0	112.4	I962 H963 L969 K970	I962-S966 PolarHBondContact O-N 3.48Å; I962-S966 PolarHBondContact O-OG 2.78Å; H963-S966 CarbonylContact O-C 3.58Å; H963-S966 WeakPolarHBondContact O-CA 3.39Å; H963-S966 WeakPolarHBondContact O-CB 3.44Å; H963-S966 PolarHBondContact O-N 2.77Å; S966-L969 PolarHBondContact O-N 3.16Å; S966-K970 PolarHBondContact O-N 3.39Å
967	V	85.5	Confident	82.2	Confident	23 Å²	23	76.9 Å²	76.9	14%	0.139	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-46.7	175.8	174.8	0	0	0	0	110.9	F947 F958 H963 N964 K965 L969 K970 M971	F947-V967 HydrophobicContact CD2-CB 4.35Å; F947-V967 HydrophobicContact CD2-CG1 3.94Å; F947-V967 HydrophobicContact CE2-CB 4.24Å; F947-V967 HydrophobicContact CE2-CG1 4.24Å; F958-V967 HydrophobicContact CE1-CB 4.32Å; F958-V967 HydrophobicContact CE1-CG1 3.96Å; F958-V967 HydrophobicContact CE1-CG2 4.27Å; F958-V967 HydrophobicContact CZ-CG1 4.19Å; H963-V967 WeakPolarHBondContact O-CG2 3.41Å; H963-V967 PolarHBondContact O-N 3.37Å; N964-V967 PolarHBondContact O-N 3.19Å; K965-V967 VanDerWaalsContact C-N 3.33Å; V967-L969 VanDerWaalsContact C-N 3.3Å; V967-L969 PolarHBondContact O-N 3.22Å; V967-K970 PolarHBondContact O-N 3.32Å; V967-K970 VanDerWaalsContact O-N 3.16Å; V967-M971 HydrophobicContact CG1-CE 3.44Å; V967-M971 VanDerWaalsContact CG1-CE 3.44Å; V967-M971 HydrophobicContact CG1-CG 4.46Å; V967-M971 HydrophobicContact CG1-SD 3.76Å; V967-M971 WeakPolarHBondContact O-CG 3.44Å; V967-M971 PolarHBondContact O-N 2.98Å
968	Y	82.6	Confident	82	Confident	84 Å²	84	75.3 Å²	75.3	33%	0.329	38%	0.375	S	S	.	.	H	α-helix	trans	-56.6	-42.7	173.7	-87.2	-73	0	0	0	112.3	N944 F947 N964 K965 M971 G972	N944-Y968 PolarHBondContact OD1-OH 3.46Å; F947-Y968 HydrophobicContact CB-CD1 4.05Å; F947-Y968 HydrophobicContact CB-CE1 3.49Å; F947-Y968 VanDerWaalsContact CB-CE1 3.49Å; F947-Y968 HydrophobicContact CB-CE2 4.25Å; F947-Y968 HydrophobicContact CD1-CD2 4.49Å; F947-Y968 HydrophobicContact CD1-CE1 4.13Å; F947-Y968 AromaticContact CD1-CE2 3.54Å; F947-Y968 HydrophobicContact CD1-CE2 3.54Å; F947-Y968 AromaticContact CD1-CZ 3.31Å; F947-Y968 WeakPolarHBondContact CD1-OH 3.37Å; F947-Y968 HydrophobicContact CD2-CD1 4.06Å; F947-Y968 AromaticContact CD2-CD2 3.38Å; F947-Y968 HydrophobicContact CD2-CD2 3.38Å; F947-Y968 AromaticContact CD2-CE1 3.94Å; F947-Y968 HydrophobicContact CD2-CE1 3.94Å; F947-Y968 AromaticContact CD2-CE2 3.25Å; F947-Y968 HydrophobicContact CD2-CE2 3.25Å; F947-Y968 AromaticContact CD2-CG 3.79Å; F947-Y968 HydrophobicContact CD2-CG 3.79Å; F947-Y968 AromaticContact CD2-CZ 3.55Å; F947-Y968 AromaticContact CE1-CE2 3.55Å; F947-Y968 HydrophobicContact CE1-CE2 3.55Å; F947-Y968 AromaticContact CE1-CZ 3.79Å; F947-Y968 AromaticContact CE2-CD2 3.4Å; F947-Y968 HydrophobicContact CE2-CD2 3.4Å; F947-Y968 VanDerWaalsContact CE2-CD2 3.4Å; F947-Y968 AromaticContact CE2-CE2 3.26Å; F947-Y968 HydrophobicContact CE2-CE2 3.26Å; F947-Y968 HydrophobicContact CE2-CG 4.24Å; F947-Y968 HydrophobicContact CG-CD1 4.14Å; F947-Y968 AromaticContact CG-CD2 3.96Å; F947-Y968 HydrophobicContact CG-CD2 3.96Å; F947-Y968 AromaticContact CG-CE1 3.59Å; F947-Y968 HydrophobicContact CG-CE1 3.59Å; F947-Y968 AromaticContact CG-CE2 3.39Å; F947-Y968 HydrophobicContact CG-CE2 3.39Å; F947-Y968 HydrophobicContact CG-CG 4.31Å; F947-Y968 AromaticContact CG-CZ 3.17Å; F947-Y968 WeakPolarHBondContact CG-OH 3.33Å; F947-Y968 HydrophobicContact CZ-CD2 4.01Å; F947-Y968 AromaticContact CZ-CE2 3.42Å; F947-Y968 HydrophobicContact CZ-CE2 3.42Å; F947-Y968 VanDerWaalsContact CZ-CE2 3.42Å; N964-Y968 WeakPolarHBondContact O-CD2 3.13Å; N964-Y968 PolarHBondContact O-N 2.74Å; N964-Y968 VanDerWaalsContact O-N 3.1Å; K965-Y968 PolarHBondContact O-N 2.69Å; Y968-M971 PolarHBondContact O-N 3.31Å; Y968-G972 PolarHBondContact O-N 2.69Å
969	L	84.7	Confident	81.2	Confident	115 Å²	115	85 Å²	85	60%	0.602	41%	0.411	S	S	*	.	H	α-helix	trans	-62.2	-44.8	176.5	-179.5	64.1	0	0	0	111.8	K965 S966 V967 G972 L973	K965-L969 PolarHBondContact O-N 3.04Å; S966-L969 PolarHBondContact O-N 3.16Å; V967-L969 VanDerWaalsContact C-N 3.3Å; V967-L969 PolarHBondContact O-N 3.22Å; L969-G972 PolarHBondContact O-N 3.24Å; L969-L973 HydrophobicContact CG-CD1 4.4Å; L969-L973 WeakPolarHBondContact O-CG 3.49Å; L969-L973 PolarHBondContact O-N 3.4Å
970	K	88.1	Confident	81.1	Confident	140 Å²	140	82.4 Å²	82.4	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-62.6	-41.9	178.1	-173.7	172	-177.3	167.5	0	111.8	S966 V967 L973 R974	S966-K970 PolarHBondContact O-N 3.39Å; V967-K970 PolarHBondContact O-N 3.32Å; V967-K970 VanDerWaalsContact O-N 3.16Å; K970-L973 PolarHBondContact O-N 3.02Å; K970-R974 WeakPolarHBondContact O-CB 3.31Å; K970-R974 PolarHBondContact O-N 3.05Å
971	M	87	Confident	80.8	Confident	25 Å²	25	89.5 Å²	89.5	12%	0.123	42%	0.422	C	S	.	.	H	α-helix	trans	-63.6	-43.6	175.1	-71.5	165.9	172.7	0	0	111.6	L943 D946 F947 A950 V967 Y968 R974 K975	L943-M971 HydrophobicContact CD2-CB 4.29Å; D946-M971 HydrophobicContact CB-CE 4.21Å; D946-M971 HydrophobicContact CB-CG 4.32Å; D946-M971 HydrophobicContact CB-SD 3.93Å; D946-M971 VanDerWaalsContact O-CE 3.26Å; D946-M971 WeakPolarHBondContact O-CE 3.48Å; F947-M971 VanDerWaalsContact CA-SD 3.52Å; F947-M971 HydrophobicContact CB-CE 4.49Å; F947-M971 HydrophobicContact CB-SD 3.8Å; F947-M971 HydrophobicContact CD2-SD 4.31Å; F947-M971 PolarHBondContact N-SD 3.33Å; A950-M971 HydrophobicContact CB-CE 3.6Å; V967-M971 HydrophobicContact CG1-CE 3.44Å; V967-M971 VanDerWaalsContact CG1-CE 3.44Å; V967-M971 HydrophobicContact CG1-CG 4.46Å; V967-M971 HydrophobicContact CG1-SD 3.76Å; V967-M971 WeakPolarHBondContact O-CG 3.44Å; V967-M971 PolarHBondContact O-N 2.98Å; Y968-M971 PolarHBondContact O-N 3.31Å; M971-R974 PolarHBondContact O-N 3.17Å; M971-K975 PolarHBondContact O-N 3.18Å
972	G	85.1	Confident	81.2	Confident	9 Å²	9	87.3 Å²	87.3	9%	0.093	42%	0.415	C	S	.	.	H	α-helix	trans	-55.6	-52.9	173.2	0	0	0	0	0	112.3	Y968 L969 R974 K975 M976 V1047	Y968-G972 PolarHBondContact O-N 2.69Å; L969-G972 PolarHBondContact O-N 3.24Å; G972-R974 VanDerWaalsContact C-N 3.3Å; G972-R974 PolarHBondContact O-N 3.26Å; G972-K975 PolarHBondContact O-N 2.82Å; G972-K975 VanDerWaalsContact O-N 3.13Å; G972-M976 PolarHBondContact O-N 3.14Å; G972-V1047 WeakPolarHBondContact O-CG1 3.35Å
973	L	85.5	Confident	81.2	Confident	74 Å²	74	86 Å²	86	39%	0.387	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-39.7	178.3	-70.2	172.9	0	0	0	112.3	L969 K970 K975 M976	L969-L973 HydrophobicContact CG-CD1 4.4Å; L969-L973 WeakPolarHBondContact O-CG 3.49Å; L969-L973 PolarHBondContact O-N 3.4Å; K970-L973 PolarHBondContact O-N 3.02Å; L973-K975 PolarHBondContact O-N 3.2Å; L973-M976 HydrophobicContact CD2-SD 3.99Å; L973-M976 WeakPolarHBondContact O-CB 3.29Å; L973-M976 PolarHBondContact O-N 3.14Å
974	R	85.5	Confident	81.5	Confident	172 Å²	172	85.7 Å²	85.7	65%	0.649	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-41.2	176	-172.9	-179.1	179.4	-171.9	-0.4	112.1	K970 M971 G972 M976 V977 N978	K970-R974 WeakPolarHBondContact O-CB 3.31Å; K970-R974 PolarHBondContact O-N 3.05Å; M971-R974 PolarHBondContact O-N 3.17Å; G972-R974 VanDerWaalsContact C-N 3.3Å; G972-R974 PolarHBondContact O-N 3.26Å; R974-M976 VanDerWaalsContact C-N 3.31Å; R974-M976 PolarHBondContact O-N 3.19Å; R974-V977 PolarHBondContact O-N 2.92Å; R974-N978 PolarHBondContact O-N 3.41Å
975	K	84.2	Confident	81.9	Confident	22 Å²	22	85.3 Å²	85.3	10%	0.096	40%	0.403	C	S	.	.	H	α-helix	trans	-75.7	-14.3	177.5	-65.7	-157.4	-174.9	-171.7	0	113.9	I939 D942 L943 D946 M971 G972 L973 V977 N978 T980 V1047	I939-K975 HydrophobicContact CD1-CD 4.11Å; D942-K975 PolarHBondContact O-NZ 3.41Å; D942-K975 IonicContact OD1-NZ 3.43Å; D942-K975 PolarHBondContact OD1-NZ 3.44Å; D942-K975 WeakPolarHBondContact OD2-CD 3.42Å; D942-K975 IonicContact OD2-NZ 2.76Å; D942-K975 PolarHBondContact OD2-NZ 3.38Å; L943-K975 HydrophobicContact CD2-CB 4.2Å; L943-K975 HydrophobicContact CD2-CD 3.64Å; L943-K975 HydrophobicContact CD2-CG 3.93Å; L943-K975 HydrophobicContact CG-CD 4.19Å; D946-K975 VanDerWaalsContact CG-CE 3.45Å; D946-K975 IonicContact OD1-NZ 3.28Å; D946-K975 PolarHBondContact OD1-NZ 3.41Å; D946-K975 WeakPolarHBondContact OD2-CE 3.19Å; D946-K975 IonicContact OD2-NZ 3.42Å; D946-K975 PolarHBondContact OD2-NZ 3.38Å; D946-K975 VanDerWaalsContact OD2-NZ 3.11Å; M971-K975 PolarHBondContact O-N 3.18Å; G972-K975 PolarHBondContact O-N 2.82Å; G972-K975 VanDerWaalsContact O-N 3.13Å; L973-K975 PolarHBondContact O-N 3.2Å; K975-V977 VanDerWaalsContact C-N 3.33Å; K975-N978 VanDerWaalsContact O-O 3.06Å; K975-T980 HydrophobicContact CB-CG2 4.37Å; K975-V1047 HydrophobicContact CB-CG2 4.04Å
976	M	80.9	Confident	82.3	Confident	101 Å²	101	82.2 Å²	82.2	50%	0.498	39%	0.39	S	S	.	.	H	α-helix	trans	-69.6	-32	169.4	-72.3	175.6	51.8	0	0	112.5	G972 L973 R974 V1047 V1048	G972-M976 PolarHBondContact O-N 3.14Å; L973-M976 HydrophobicContact CD2-SD 3.99Å; L973-M976 WeakPolarHBondContact O-CB 3.29Å; L973-M976 PolarHBondContact O-N 3.14Å; R974-M976 VanDerWaalsContact C-N 3.31Å; R974-M976 PolarHBondContact O-N 3.19Å; M976-V1047 HydrophobicContact CG-CB 3.69Å; M976-V1047 HydrophobicContact CG-CG1 3.57Å; M976-V1047 HydrophobicContact SD-CG1 4.15Å; M976-V1048 HydrophobicContact CE-CG2 3.79Å; M976-V1048 HydrophobicContact SD-CG2 4.4Å
977	V	78.9	Confident	82.7	Confident	125 Å²	125	84.1 Å²	84.1	76%	0.758	39%	0.392	S	S	*	.	H	α-helix	trans	-88.4	-36.7	-177.3	-175.6	0	0	0	0	111.4	R974 K975	R974-V977 PolarHBondContact O-N 2.92Å; K975-V977 VanDerWaalsContact C-N 3.33Å
978	N	74.6	Confident	83.1	Confident	92 Å²	92	85.4 Å²	85.4	49%	0.492	40%	0.398	S	S	.	.	S	Bend	trans	-88.3	134.7	-179.1	-70.5	-9.3	0	0	0	111.6	R974 K975 T980	R974-N978 PolarHBondContact O-N 3.41Å; K975-N978 VanDerWaalsContact O-O 3.06Å; N978-T980 PolarHBondContact O-N 2.86Å
979	R	61.7	Low	83.7	Confident	224 Å²	224	81.6 Å²	81.6	85%	0.845	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-58	123.1	171.5	-90	-175.2	174.6	179.1	-1.3	110.1
980	T	68.2	Low	84.3	Confident	21 Å²	21	78.4 Å²	78.4	13%	0.129	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-79.6	144.2	179	51.3	0	0	0	0	110.2	I939 K975 N978 C982 E1004	I939-T980 HydrophobicContact CD1-CG2 3.43Å; I939-T980 VanDerWaalsContact CD1-CG2 3.43Å; K975-T980 HydrophobicContact CB-CG2 4.37Å; N978-T980 PolarHBondContact O-N 2.86Å; T980-C982 PolarHBondContact O-N 3.38Å; T980-C982 VanDerWaalsContact O-N 3.16Å; T980-E1004 PolarHBondContact OG1-OE2 2.99Å
981	K	71.6	Confident	84.7	Confident	204 Å²	204	71.8 Å²	71.8	89%	0.887	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.8	172.4	-69.3	-177.1	178.8	179.9	0	112.4
982	C	83.4	Confident	85.2	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.034	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6.9	-173	-52.8	0	0	0	0	114.3	T980 D984 L985 E1004	T980-C982 PolarHBondContact O-N 3.38Å; T980-C982 VanDerWaalsContact O-N 3.16Å; C982-D984 VanDerWaalsContact C-N 3.31Å; C982-D984 PolarHBondContact O-N 2.92Å; C982-L985 WeakPolarHBondContact O-CB 3.47Å; C982-L985 PolarHBondContact O-N 2.89Å; C982-L985 VanDerWaalsContact O-N 3.15Å; C982-E1004 WeakPolarHBondContact CB-O 3.28Å; C982-E1004 WeakPolarHBondContact O-CA 3.06Å
983	K	82.7	Confident	85.8	Confident	107 Å²	107	73.2 Å²	73.2	47%	0.465	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.8	-171.1	-169	-175.5	175.9	-163.9	0	114.5
984	D	87.9	Confident	86.3	Confident	71 Å²	71	74 Å²	74	38%	0.38	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	37.7	-177.8	-61.2	-55.4	0	0	0	111.6	C982 H986 Q987 N988	C982-D984 VanDerWaalsContact C-N 3.31Å; C982-D984 PolarHBondContact O-N 2.92Å; D984-H986 VanDerWaalsContact C-N 3.26Å; D984-H986 PolarHBondContact O-N 2.78Å; D984-H986 VanDerWaalsContact O-N 3.16Å; D984-Q987 WeakPolarHBondContact O-CB 3.44Å; D984-Q987 PolarHBondContact O-N 3.38Å; D984-N988 PolarHBondContact O-N 3.03Å; D984-N988 PolarHBondContact O-ND2 3.12Å
985	L	92.9	Very high	86.8	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-50.9	-46.9	-172.4	178.6	59.7	0	0	0	112.9	L937 C982 Q987 N988 I989 L1003 V1006 I1077	L937-L985 HydrophobicContact CD2-CD1 3.64Å; L937-L985 HydrophobicContact CD2-CD2 3.75Å; L937-L985 HydrophobicContact CD2-CG 4.17Å; C982-L985 WeakPolarHBondContact O-CB 3.47Å; C982-L985 PolarHBondContact O-N 2.89Å; C982-L985 VanDerWaalsContact O-N 3.15Å; L985-Q987 PolarHBondContact O-N 2.73Å; L985-Q987 VanDerWaalsContact O-N 3.11Å; L985-N988 WeakPolarHBondContact O-CA 3.42Å; L985-N988 PolarHBondContact O-N 3.28Å; L985-I989 HydrophobicContact CD1-CD1 4.09Å; L985-I989 HydrophobicContact CD1-CG1 4.4Å; L985-I989 HydrophobicContact CD1-CG2 3.86Å; L985-I989 HydrophobicContact CD2-CD1 4.24Å; L985-I989 HydrophobicContact CG-CD1 3.87Å; L985-I989 HydrophobicContact CG-CG1 4.34Å; L985-I989 WeakPolarHBondContact O-CG1 3.49Å; L985-I989 PolarHBondContact O-N 3.22Å; L985-I989 VanDerWaalsContact O-N 3.12Å; L985-L1003 VanDerWaalsContact CB-O 3.22Å; L985-L1003 WeakPolarHBondContact CB-O 3.37Å; L985-L1003 PolarHBondContact N-O 2.81Å; L985-V1006 HydrophobicContact CD2-CG2 4.11Å; L985-I1077 HydrophobicContact CD1-CD1 3.08Å; L985-I1077 HydrophobicContact CD1-CG1 4.42Å; L985-I1077 HydrophobicContact CG-CD1 4.48Å
986	H	92.5	Very high	87.3	Confident	44 Å²	44	77.2 Å²	77.2	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-54.6	-25.5	178.9	65.7	-70.4	0	0	0	114.5	D984 L1000 P1001	D984-H986 VanDerWaalsContact C-N 3.26Å; D984-H986 PolarHBondContact O-N 2.78Å; D984-H986 VanDerWaalsContact O-N 3.16Å; H986-L1000 HydrophobicContact CB-CB 3.97Å; H986-P1001 WeakPolarHBondContact CB-O 3.01Å
987	Q	93	Very high	88.1	Confident	107 Å²	107	78.7 Å²	78.7	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-86	-25.3	176.3	-59.2	176.1	22.3	0	0	112	D984 L985 K1074	D984-Q987 WeakPolarHBondContact O-CB 3.44Å; D984-Q987 PolarHBondContact O-N 3.38Å; L985-Q987 PolarHBondContact O-N 2.73Å; L985-Q987 VanDerWaalsContact O-N 3.11Å; Q987-K1074 PolarHBondContact O-NZ 3.37Å
988	N	93.5	Very high	88.8	Confident	49 Å²	49	74.5 Å²	74.5	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-94.2	-8.5	-174	-65.4	-31.8	0	0	0	113.8	D984 L985 K1074	D984-N988 PolarHBondContact O-N 3.03Å; D984-N988 PolarHBondContact O-ND2 3.12Å; L985-N988 WeakPolarHBondContact O-CA 3.42Å; L985-N988 PolarHBondContact O-N 3.28Å; N988-K1074 VanDerWaalsContact O-CB 3.29Å; N988-K1074 WeakPolarHBondContact O-CB 3.24Å; N988-K1074 VanDerWaalsContact O-CG 3.31Å; N988-K1074 WeakPolarHBondContact O-CG 3.18Å; N988-K1074 PolarHBondContact O-N 3.23Å
989	I	96	Very high	89.8	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.5	176	69.9	178.3	0	0	0	112.2	L937 L985 V991 L1000 V1006 I1071 T1072 V1073 I1077	L937-I989 HydrophobicContact CD2-CD1 3.83Å; L937-I989 HydrophobicContact CD2-CG2 4.23Å; L985-I989 HydrophobicContact CD1-CD1 4.09Å; L985-I989 HydrophobicContact CD1-CG1 4.4Å; L985-I989 HydrophobicContact CD1-CG2 3.86Å; L985-I989 HydrophobicContact CD2-CD1 4.24Å; L985-I989 HydrophobicContact CG-CD1 3.87Å; L985-I989 HydrophobicContact CG-CG1 4.34Å; L985-I989 WeakPolarHBondContact O-CG1 3.49Å; L985-I989 PolarHBondContact O-N 3.22Å; L985-I989 VanDerWaalsContact O-N 3.12Å; I989-V991 HydrophobicContact CD1-CG2 3.93Å; I989-V991 HydrophobicContact CG1-CG2 4.33Å; I989-L1000 HydrophobicContact CD1-CD1 4Å; I989-L1000 HydrophobicContact CG1-CD1 3.74Å; I989-V1006 HydrophobicContact CD1-CG2 3.92Å; I989-I1071 HydrophobicContact CB-CG2 4.24Å; I989-I1071 HydrophobicContact CG2-CG2 4.48Å; I989-T1072 CarbonylContact C-O 3.53Å; I989-T1072 WeakPolarHBondContact CA-O 3.11Å; I989-V1073 HydrophobicContact CG2-CG2 4.36Å; I989-I1077 HydrophobicContact CG2-CD1 4.41Å
990	I	96.7	Very high	91.4	Very high	48 Å²	48	68.1 Å²	68.1	25%	0.246	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.8	166.8	-58.5	171.8	0	0	0	106.7	Q997 I1071 T1072	I990-Q997 HydrophobicContact CG2-CG 3.81Å; I990-I1071 CarbonylContact O-C 3.5Å; I990-I1071 VanDerWaalsContact O-CA 3.29Å; I990-I1071 WeakPolarHBondContact O-CA 3.43Å; I990-T1072 PolarHBondContact N-O 2.82Å; I990-T1072 PolarHBondContact O-N 3.19Å
991	V	97.6	Very high	92.6	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.6	179.2	-179.7	0	0	0	0	108.8	I989 V993 L998 L1000 I1041 I1069 R1070 I1071	I989-V991 HydrophobicContact CD1-CG2 3.93Å; I989-V991 HydrophobicContact CG1-CG2 4.33Å; V991-V993 HydrophobicContact CG1-CG2 4.16Å; V991-L998 HydrophobicContact CB-CD1 4.4Å; V991-L998 HydrophobicContact CG1-CD1 3.86Å; V991-L998 HydrophobicContact CG1-CG 4.39Å; V991-L998 PolarHBondContact O-N 2.77Å; V991-L1000 HydrophobicContact CB-CD1 4.38Å; V991-L1000 HydrophobicContact CB-CD2 4.43Å; V991-L1000 HydrophobicContact CG2-CD1 3.91Å; V991-L1000 HydrophobicContact CG2-CD2 4.43Å; V991-I1041 HydrophobicContact CG1-CD1 4.47Å; V991-I1069 HydrophobicContact CG1-CG2 4.21Å; V991-R1070 CarbonylContact C-O 3.56Å; V991-R1070 WeakPolarHBondContact CA-O 3.49Å; V991-I1071 HydrophobicContact CG2-CG1 4.39Å; V991-I1071 HydrophobicContact CG2-CG2 4.29Å
992	E	97.7	Very high	93.7	Very high	55 Å²	55	64 Å²	64	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.1	171.8	-61.7	169.7	-171.5	0	0	109.5	R996 Q997 I1069 R1070	E992-R996 CarbonylContact C-O 3.5Å; E992-R996 VanDerWaalsContact CA-O 3.3Å; E992-R996 WeakPolarHBondContact CA-O 3.46Å; E992-Q997 HydrophobicContact CG-CB 4.22Å; E992-I1069 CarbonylContact O-C 3.57Å; E992-I1069 WeakPolarHBondContact O-CA 3.38Å; E992-R1070 HydrophobicContact CB-CB 4.24Å; E992-R1070 PolarHBondContact N-O 3.49Å; E992-R1070 PolarHBondContact O-N 3.06Å; E992-R1070 WeakPolarHBondContact OE2-CD 3.36Å; E992-R1070 IonicContact OE2-NE 2.74Å; E992-R1070 PolarHBondContact OE2-NE 3.08Å
993	V	97.3	Very high	94.2	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.1	179	-174.1	0	0	0	0	108.5	V991 G995 R996 L998 I1041 A1064 H1068	V991-V993 HydrophobicContact CG1-CG2 4.16Å; V993-G995 PolarHBondContact O-N 3Å; V993-G995 VanDerWaalsContact O-N 3.1Å; V993-R996 PolarHBondContact N-O 2.79Å; V993-R996 WeakPolarHBondContact O-CB 2.8Å; V993-R996 PolarHBondContact O-N 3.15Å; V993-L998 HydrophobicContact CB-CD2 4.49Å; V993-L998 HydrophobicContact CG2-CD1 3.64Å; V993-L998 HydrophobicContact CG2-CD2 4.16Å; V993-L998 HydrophobicContact CG2-CG 3.88Å; V993-I1041 HydrophobicContact CB-CD1 4.48Å; V993-I1041 HydrophobicContact CG1-CD1 4.38Å; V993-I1041 HydrophobicContact CG2-CD1 3.27Å; V993-A1064 HydrophobicContact CB-CB 4.4Å; V993-A1064 HydrophobicContact CG1-CB 4.3Å; V993-A1064 HydrophobicContact CG2-CB 3.99Å; V993-H1068 WeakPolarHBondContact CA-O 3.26Å
994	D	96.2	Very high	94.8	Very high	91 Å²	91	60.7 Å²	60.7	49%	0.487	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	38.7	-177.3	-58.2	-32.2	0	0	0	112.4	R996 G1066 G1067 H1068	D994-R996 VanDerWaalsContact C-N 3.34Å; D994-R996 PolarHBondContact O-N 3.43Å; D994-G1066 WeakPolarHBondContact OD2-CA 3.38Å; D994-G1067 PolarHBondContact OD1-N 3.3Å; D994-G1067 PolarHBondContact OD2-N 2.77Å; D994-H1068 PolarHBondContact N-O 3.17Å; D994-H1068 PolarHBondContact OD1-N 2.97Å
995	G	94.6	Very high	95.2	Very high	62 Å²	62	57.3 Å²	57.3	64%	0.639	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	0.4	-179.6	0	0	0	0	0	115.5	V993	V993-G995 PolarHBondContact O-N 3Å; V993-G995 VanDerWaalsContact O-N 3.1Å
996	R	96	Very high	95.4	Very high	199 Å²	199	57.3 Å²	57.3	75%	0.751	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.9	176.6	-61.7	-179.6	-178.2	175.7	1	110.5	E992 V993 D994 L998	E992-R996 CarbonylContact C-O 3.5Å; E992-R996 VanDerWaalsContact CA-O 3.3Å; E992-R996 WeakPolarHBondContact CA-O 3.46Å; V993-R996 PolarHBondContact N-O 2.79Å; V993-R996 WeakPolarHBondContact O-CB 2.8Å; V993-R996 PolarHBondContact O-N 3.15Å; D994-R996 VanDerWaalsContact C-N 3.34Å; D994-R996 PolarHBondContact O-N 3.43Å; R996-L998 PolarHBondContact O-N 3.05Å
997	Q	96.8	Very high	95.6	Very high	133 Å²	133	55.2 Å²	55.2	62%	0.621	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.6	173	-173.4	178.5	-23.5	0	0	110.4	I990 E992	I990-Q997 HydrophobicContact CG2-CG 3.81Å; E992-Q997 HydrophobicContact CG-CB 4.22Å
998	L	95.1	Very high	95.8	Very high	36 Å²	36	50.1 Å²	50.1	19%	0.188	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-84.2	139.6	174.8	-58.4	-175.1	0	0	0	110.7	V991 V993 R996 L1000 L1063 A1064	V991-L998 HydrophobicContact CB-CD1 4.4Å; V991-L998 HydrophobicContact CG1-CD1 3.86Å; V991-L998 HydrophobicContact CG1-CG 4.39Å; V991-L998 PolarHBondContact O-N 2.77Å; V993-L998 HydrophobicContact CB-CD2 4.49Å; V993-L998 HydrophobicContact CG2-CD1 3.64Å; V993-L998 HydrophobicContact CG2-CD2 4.16Å; V993-L998 HydrophobicContact CG2-CG 3.88Å; R996-L998 PolarHBondContact O-N 3.05Å; L998-L1000 HydrophobicContact CB-CD2 4.12Å; L998-L1063 HydrophobicContact CD1-CB 4.25Å; L998-A1064 HydrophobicContact CD1-CB 3.79Å; L998-A1064 HydrophobicContact CD2-CB 3.94Å
999	D	94.5	Very high	96	Very high	162 Å²	162	47.8 Å²	47.8	87%	0.866	26%	0.255	S	S	*	.			trans	-84.7	109.7	165.9	-170.9	22	0	0	0	108.9
1000	L	95.2	Very high	96.1	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.11	25%	0.254	C	S	.	.			trans	-90.3	126.4	-171.4	-63.8	177.6	0	0	0	110.7	H986 I989 V991 L998 L1063	H986-L1000 HydrophobicContact CB-CB 3.97Å; I989-L1000 HydrophobicContact CD1-CD1 4Å; I989-L1000 HydrophobicContact CG1-CD1 3.74Å; V991-L1000 HydrophobicContact CB-CD1 4.38Å; V991-L1000 HydrophobicContact CB-CD2 4.43Å; V991-L1000 HydrophobicContact CG2-CD1 3.91Å; V991-L1000 HydrophobicContact CG2-CD2 4.43Å; L998-L1000 HydrophobicContact CB-CD2 4.12Å; L1000-L1063 HydrophobicContact CD2-CD1 4.03Å
1001	P	94.5	Very high	96	Very high	44 Å²	44	45.3 Å²	45.3	29%	0.286	24%	0.242	S	C	.	.			trans	-67.1	172.3	171.1	28.4	-32.3	0	0	0	110.9	H986 L1003 I1061 L1063	H986-P1001 WeakPolarHBondContact CB-O 3.01Å; P1001-L1003 HydrophobicContact CG-CD1 4.09Å; P1001-L1003 HydrophobicContact CG-CD2 4.16Å; P1001-L1003 HydrophobicContact CG-CG 4Å; P1001-L1003 VanDerWaalsContact O-CG 3.31Å; P1001-L1003 WeakPolarHBondContact O-CG 3.44Å; P1001-L1003 PolarHBondContact O-N 3.29Å; P1001-I1061 HydrophobicContact CG-CD1 4.44Å; P1001-I1061 HydrophobicContact CG-CG2 4.35Å; P1001-L1063 HydrophobicContact CG-CD2 4.04Å
1002	P	93.8	Very high	95.8	Very high	95 Å²	95	47.8 Å²	47.8	62%	0.617	26%	0.255	S	S	*	.	S	Bend	trans	-59.1	106.3	171.6	-24.1	34.9	0	0	0	111.2
1003	L	94.8	Very high	95.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.244	C	C	.	.			trans	-125.8	156.2	-177.7	-64.6	172	0	0	0	110.2	L985 P1001 V1006 T1045 I1061 L1063	L985-L1003 VanDerWaalsContact CB-O 3.22Å; L985-L1003 WeakPolarHBondContact CB-O 3.37Å; L985-L1003 PolarHBondContact N-O 2.81Å; P1001-L1003 HydrophobicContact CG-CD1 4.09Å; P1001-L1003 HydrophobicContact CG-CD2 4.16Å; P1001-L1003 HydrophobicContact CG-CG 4Å; P1001-L1003 VanDerWaalsContact O-CG 3.31Å; P1001-L1003 WeakPolarHBondContact O-CG 3.44Å; P1001-L1003 PolarHBondContact O-N 3.29Å; L1003-V1006 HydrophobicContact CD1-CG2 4.32Å; L1003-T1045 HydrophobicContact CD2-CG2 3.97Å; L1003-I1061 HydrophobicContact CD2-CD1 3.72Å; L1003-L1063 HydrophobicContact CD1-CD1 3.82Å; L1003-L1063 HydrophobicContact CD1-CD2 4.26Å
1004	E	94.4	Very high	95.3	Very high	40 Å²	40	45 Å²	45	19%	0.187	24%	0.242	C	C	.	.	S	Bend	trans	-113.1	-11.6	169.8	-59.6	-167.9	-175.3	0	0	112.6	I939 T980 C982 V1044 G1046	I939-E1004 HydrophobicContact CB-CB 4.23Å; I939-E1004 HydrophobicContact CG2-CB 4.04Å; I939-E1004 PolarHBondContact N-O 3.35Å; T980-E1004 PolarHBondContact OG1-OE2 2.99Å; C982-E1004 WeakPolarHBondContact CB-O 3.28Å; C982-E1004 WeakPolarHBondContact O-CA 3.06Å; E1004-V1044 PolarHBondContact N-O 2.89Å; E1004-G1046 WeakPolarHBondContact OE2-CA 3.47Å
1005	G	95.3	Very high	94.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.5	175.6	0	0	0	0	0	112.9	L937 V1044	L937-G1005 CarbonylContact O-C 3.52Å; L937-G1005 WeakPolarHBondContact O-CA 3.49Å; G1005-V1044 PolarHBondContact N-O 3.25Å; G1005-V1044 PolarHBondContact O-N 2.72Å
1006	V	97.3	Very high	94.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.3	171.1	176.1	0	0	0	0	108.2	L937 L985 I989 L1003 I1008 I1041 V1042	L937-V1006 PolarHBondContact N-O 3.08Å; L937-V1006 PolarHBondContact O-N 2.91Å; L985-V1006 HydrophobicContact CD2-CG2 4.11Å; I989-V1006 HydrophobicContact CD1-CG2 3.92Å; L1003-V1006 HydrophobicContact CD1-CG2 4.32Å; V1006-I1008 HydrophobicContact CG1-CG1 4.43Å; V1006-I1041 HydrophobicContact CG1-CG2 3.78Å; V1006-V1042 CarbonylContact C-O 3.53Å; V1006-V1042 WeakPolarHBondContact CA-O 3.27Å
1007	I	97.3	Very high	93.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.9	180	-52.7	166.8	0	0	0	107.6	F935 D940 L1009 W1014 V1042 V1044	F935-I1007 CarbonylContact O-C 3.56Å; F935-I1007 WeakPolarHBondContact O-CA 3.24Å; D940-I1007 HydrophobicContact CB-CD1 4.46Å; D940-I1007 HydrophobicContact CB-CG1 4.4Å; I1007-L1009 HydrophobicContact CG2-CD2 3.52Å; I1007-L1009 HydrophobicContact CG2-CG 4.22Å; I1007-W1014 HydrophobicContact CD1-CD2 4.08Å; I1007-W1014 HydrophobicContact CD1-CH2 4.48Å; I1007-W1014 HydrophobicContact CD1-CZ2 3.89Å; I1007-W1014 HydrophobicContact CG2-CG 4.4Å; I1007-V1042 PolarHBondContact N-O 3.43Å; I1007-V1042 PolarHBondContact O-N 3.02Å; I1007-V1044 HydrophobicContact CD1-CG1 3.88Å; I1007-V1044 HydrophobicContact CD1-CG2 4.49Å
1008	I	97.9	Very high	93.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.9	177.3	-61	175.3	0	0	0	107.7	Y934 F935 V1006 L1039 E1040 I1041 I1069 I1071 V1095	Y934-I1008 CarbonylContact C-O 3.59Å; Y934-I1008 WeakPolarHBondContact CA-O 3.43Å; Y934-I1008 VanDerWaalsContact CB-O 3.22Å; Y934-I1008 WeakPolarHBondContact CB-O 3.34Å; F935-I1008 HydrophobicContact CB-CB 4.27Å; F935-I1008 HydrophobicContact CD1-CD1 3.9Å; F935-I1008 HydrophobicContact CD1-CG1 4.35Å; F935-I1008 PolarHBondContact N-O 3.48Å; F935-I1008 PolarHBondContact O-N 3.47Å; V1006-I1008 HydrophobicContact CG1-CG1 4.43Å; I1008-L1039 HydrophobicContact CG2-CB 3.8Å; I1008-L1039 HydrophobicContact CG2-CD1 3.72Å; I1008-L1039 HydrophobicContact CG2-CD2 4.31Å; I1008-L1039 HydrophobicContact CG2-CG 4.16Å; I1008-E1040 CarbonylContact C-O 3.58Å; I1008-E1040 WeakPolarHBondContact CA-O 3.31Å; I1008-I1041 HydrophobicContact CG1-CG1 4.38Å; I1008-I1041 HydrophobicContact CG1-CG2 4.32Å; I1008-I1069 HydrophobicContact CD1-CD1 3.87Å; I1008-I1069 HydrophobicContact CD1-CG2 3.96Å; I1008-I1069 HydrophobicContact CG1-CD1 4.3Å; I1008-I1069 HydrophobicContact CG2-CD1 3.57Å; I1008-I1071 HydrophobicContact CD1-CD1 3.86Å; I1008-V1095 HydrophobicContact CD1-CG2 4.34Å
1009	L	97.6	Very high	93.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.9	-172.7	-47.8	161.7	0	0	0	110.3	I1007 W1014 P1020 W1021 L1039 E1040 V1042	I1007-L1009 HydrophobicContact CG2-CD2 3.52Å; I1007-L1009 HydrophobicContact CG2-CG 4.22Å; L1009-W1014 HydrophobicContact CD2-CB 4.04Å; L1009-P1020 HydrophobicContact CD1-CG 3.75Å; L1009-P1020 HydrophobicContact CD2-CG 3.89Å; L1009-P1020 HydrophobicContact CG-CG 4.41Å; L1009-W1021 HydrophobicContact CD1-CB 4.25Å; L1009-L1039 WeakPolarHBondContact O-CA 3.44Å; L1009-L1039 VanDerWaalsContact O-CD2 3.31Å; L1009-L1039 WeakPolarHBondContact O-CD2 3.01Å; L1009-E1040 HydrophobicContact CB-CB 4.11Å; L1009-E1040 HydrophobicContact CD1-CB 4.17Å; L1009-E1040 PolarHBondContact N-O 3.14Å; L1009-E1040 PolarHBondContact O-N 2.98Å; L1009-V1042 HydrophobicContact CD1-CG2 3.9Å
1010	N	96.6	Very high	93.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-96.3	-24.4	159.4	-178.1	47.9	0	0	0	111.2	D892 W894 M931 N932 N933 H1034 L1039	D892-N1010 PolarHBondContact O-ND2 2.86Å; W894-N1010 VanDerWaalsContact NE1-CG 3.27Å; W894-N1010 PolarHBondContact NE1-OD1 3.38Å; M931-N1010 HydrophobicContact CE-CB 4.04Å; N932-N1010 PolarHBondContact O-ND2 2.85Å; N933-N1010 WeakPolarHBondContact O-CA 3.47Å; N933-N1010 VanDerWaalsContact O-CB 3.32Å; N933-N1010 WeakPolarHBondContact O-CB 3.43Å; N933-N1010 PolarHBondContact O-N 3.24Å; N1010-H1034 WeakPolarHBondContact O-CA 3.39Å; N1010-H1034 VanDerWaalsContact O-CB 3.24Å; N1010-H1034 WeakPolarHBondContact O-CB 3.45Å; N1010-L1039 HydrophobicContact CB-CD2 3.67Å
1011	I	95.5	Very high	93.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	-125.5	143.7	176.5	72.3	173.2	0	0	0	110.3	D835 L836 V839 L891 N933 S1013 H1034	D835-I1011 HydrophobicContact CB-CD1 3.96Å; L836-I1011 HydrophobicContact CB-CD1 4.33Å; L836-I1011 HydrophobicContact CD1-CD1 4.4Å; L836-I1011 HydrophobicContact CD1-CG2 4.26Å; V839-I1011 HydrophobicContact CG2-CB 4.13Å; V839-I1011 HydrophobicContact CG2-CD1 4.3Å; V839-I1011 HydrophobicContact CG2-CG1 4.44Å; L891-I1011 HydrophobicContact CD1-CG2 4.17Å; N933-I1011 HydrophobicContact CB-CD1 3.72Å; N933-I1011 HydrophobicContact CB-CG1 4.03Å; N933-I1011 PolarHBondContact O-N 3.21Å; N933-I1011 VanDerWaalsContact O-N 3.13Å; I1011-S1013 PolarHBondContact O-N 2.88Å; I1011-H1034 HydrophobicContact CG2-CB 3.93Å
1012	L	93.3	Very high	93.2	Very high	52 Å²	52	17 Å²	17	27%	0.272	12%	0.117	S	C	.	.	S	Bend	trans	-79	46.6	179	-58.6	174.4	0	0	0	112.9	W1021 P1032	L1012-W1021 HydrophobicContact CD2-CB 3.84Å; L1012-W1021 HydrophobicContact CD2-CG 4.24Å; L1012-P1032 HydrophobicContact CD1-CB 4.17Å; L1012-P1032 HydrophobicContact CD1-CG 3.67Å; L1012-P1032 HydrophobicContact CD2-CB 3.91Å; L1012-P1032 HydrophobicContact CD2-CG 3.76Å; L1012-P1032 HydrophobicContact CG-CB 4.37Å; L1012-P1032 HydrophobicContact CG-CG 4.23Å
1013	S	93.2	Very high	92.8	Very high	4 Å²	4	19 Å²	19	3%	0.028	13%	0.127	C	C	.	.			trans	-151.5	125.2	174.8	-171.3	0	0	0	0	108.7	D835 V839 I1011 G1017 A1018	D835-S1013 WeakPolarHBondContact CB-OG 3.05Å; D835-S1013 PolarHBondContact OD1-OG 2.98Å; V839-S1013 VanDerWaalsContact CG2-CB 3.46Å; I1011-S1013 PolarHBondContact O-N 2.88Å; S1013-G1017 WeakPolarHBondContact OG-CA 3.48Å; S1013-A1018 CarbonylContact C-O 3.53Å; S1013-A1018 WeakPolarHBondContact CA-O 3.38Å
1014	W	92.3	Very high	92.3	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-140.8	151.7	-175.6	162.5	84.6	0	0	0	109.7	Y934 D940 I1007 L1009 A1016 G1017 A1018 P1020 M1050 I1053 F1054	Y934-W1014 HydrophobicContact CD1-CB 4.47Å; Y934-W1014 AromaticContact CD2-CD1 3.77Å; Y934-W1014 HydrophobicContact CE1-CB 4.45Å; Y934-W1014 AromaticContact CE2-CD1 3.52Å; Y934-W1014 AromaticContact CZ-CD1 3.7Å; D940-W1014 HydrophobicContact CB-CZ2 4.23Å; D940-W1014 VanDerWaalsContact CG-NE1 3.29Å; D940-W1014 WeakPolarHBondContact OD1-CZ2 3.46Å; D940-W1014 PolarHBondContact OD1-NE1 3.12Å; D940-W1014 VanDerWaalsContact OD1-NE1 3.08Å; D940-W1014 PolarHBondContact OD2-NE1 3.37Å; I1007-W1014 HydrophobicContact CD1-CD2 4.08Å; I1007-W1014 HydrophobicContact CD1-CH2 4.48Å; I1007-W1014 HydrophobicContact CD1-CZ2 3.89Å; I1007-W1014 HydrophobicContact CG2-CG 4.4Å; L1009-W1014 HydrophobicContact CD2-CB 4.04Å; W1014-A1016 VanDerWaalsContact C-N 3.33Å; W1014-A1016 PolarHBondContact O-N 2.98Å; W1014-G1017 PolarHBondContact O-N 3.15Å; W1014-G1017 VanDerWaalsContact O-N 3.09Å; W1014-A1018 HydrophobicContact CE3-CB 3.97Å; W1014-A1018 HydrophobicContact CZ3-CB 4.27Å; W1014-A1018 PolarHBondContact N-O 3.42Å; W1014-A1018 PolarHBondContact O-N 2.84Å; W1014-P1020 HydrophobicContact CB-CG 3.86Å; W1014-P1020 HydrophobicContact CD2-CG 4.3Å; W1014-P1020 HydrophobicContact CE3-CG 4.16Å; W1014-P1020 HydrophobicContact CG-CG 4.19Å; W1014-M1050 HydrophobicContact CH2-CB 4.24Å; W1014-M1050 HydrophobicContact CH2-CE 3.46Å; W1014-M1050 VanDerWaalsContact CH2-CE 3.46Å; W1014-M1050 HydrophobicContact CH2-CG 4.25Å; W1014-M1050 HydrophobicContact CZ2-CE 3.42Å; W1014-M1050 VanDerWaalsContact CZ2-CE 3.42Å; W1014-I1053 HydrophobicContact CZ3-CG2 4.18Å; W1014-F1054 HydrophobicContact CE3-CE1 4.13Å; W1014-F1054 HydrophobicContact CE3-CZ 4.07Å; W1014-F1054 HydrophobicContact CH2-CD2 4.4Å; W1014-F1054 HydrophobicContact CH2-CE1 4.11Å; W1014-F1054 AromaticContact CH2-CE2 3.45Å; W1014-F1054 HydrophobicContact CH2-CE2 3.45Å; W1014-F1054 VanDerWaalsContact CH2-CE2 3.45Å; W1014-F1054 AromaticContact CH2-CZ 3.27Å; W1014-F1054 HydrophobicContact CH2-CZ 3.27Å; W1014-F1054 HydrophobicContact CZ2-CE2 4.43Å; W1014-F1054 HydrophobicContact CZ2-CZ 4.02Å; W1014-F1054 HydrophobicContact CZ3-CD1 4.35Å; W1014-F1054 HydrophobicContact CZ3-CD2 4.32Å; W1014-F1054 AromaticContact CZ3-CE1 3.66Å; W1014-F1054 HydrophobicContact CZ3-CE1 3.66Å; W1014-F1054 AromaticContact CZ3-CE2 3.69Å; W1014-F1054 HydrophobicContact CZ3-CE2 3.69Å; W1014-F1054 AromaticContact CZ3-CZ 3.3Å; W1014-F1054 HydrophobicContact CZ3-CZ 3.3Å
1015	G	84.7	Confident	91.7	Very high	26 Å²	26	32.1 Å²	32.1	27%	0.268	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	37.1	172.8	0	0	0	0	0	114.8	F1054	G1015-F1054 WeakPolarHBondContact O-CE1 3.15Å
1016	A	82.3	Confident	91.3	Very high	33 Å²	33	35 Å²	35	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	34.2	-174	0	0	0	0	0	115.6	D835 R838 W1014	D835-A1016 WeakPolarHBondContact OD1-CA 3.34Å; D835-A1016 PolarHBondContact OD1-N 2.93Å; D835-A1016 PolarHBondContact OD2-N 3.16Å; R838-A1016 PolarHBondContact NE-O 3.19Å; R838-A1016 VanDerWaalsContact NH2-C 3.33Å; R838-A1016 PolarHBondContact NH2-O 2.93Å; W1014-A1016 VanDerWaalsContact C-N 3.33Å; W1014-A1016 PolarHBondContact O-N 2.98Å
1017	G	88.1	Confident	90.8	Very high	36 Å²	36	41.5 Å²	41.5	37%	0.371	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	125.1	3.3	157.8	0	0	0	0	0	116.6	D835 S1013 W1014	D835-G1017 PolarHBondContact OD1-N 3.33Å; S1013-G1017 WeakPolarHBondContact OG-CA 3.48Å; W1014-G1017 PolarHBondContact O-N 3.15Å; W1014-G1017 VanDerWaalsContact O-N 3.09Å
1018	A	90.6	Very high	90.4	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-75.9	150.6	175	0	0	0	0	0	110.7	S1013 W1014 P1020 I1053 F1054	S1013-A1018 CarbonylContact C-O 3.53Å; S1013-A1018 WeakPolarHBondContact CA-O 3.38Å; W1014-A1018 HydrophobicContact CE3-CB 3.97Å; W1014-A1018 HydrophobicContact CZ3-CB 4.27Å; W1014-A1018 PolarHBondContact N-O 3.42Å; W1014-A1018 PolarHBondContact O-N 2.84Å; A1018-P1020 VanDerWaalsContact O-CD 3.27Å; A1018-P1020 WeakPolarHBondContact O-CD 3.17Å; A1018-I1053 HydrophobicContact CB-CG2 4.14Å; A1018-F1054 HydrophobicContact CB-CD1 3.63Å; A1018-F1054 HydrophobicContact CB-CE1 3.87Å; A1018-F1054 HydrophobicContact CB-CG 4.48Å
1019	N	93.5	Very high	90.2	Very high	41 Å²	41	47.4 Å²	47.4	22%	0.219	28%	0.276	C	S	.	.			trans	-111.2	92	174.1	178.1	5.6	0	0	0	109.2	W1021 G1022	N1019-W1021 VanDerWaalsContact C-N 3.25Å; N1019-W1021 PolarHBondContact O-N 3.41Å; N1019-W1021 PolarHBondContact OD1-N 2.81Å; N1019-G1022 VanDerWaalsContact ND2-C 3.27Å; N1019-G1022 PolarHBondContact ND2-O 3.37Å; N1019-G1022 PolarHBondContact O-N 3.38Å; N1019-G1022 VanDerWaalsContact O-N 3.16Å; N1019-G1022 PolarHBondContact OD1-N 3.26Å; N1019-G1022 VanDerWaalsContact OD1-N 3.15Å
1020	P	93.7	Very high	89.9	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-66.9	-23.7	-178.7	21.8	-28.5	0	0	0	113.2	L1009 W1014 A1018 V1042 I1053 G1060	L1009-P1020 HydrophobicContact CD1-CG 3.75Å; L1009-P1020 HydrophobicContact CD2-CG 3.89Å; L1009-P1020 HydrophobicContact CG-CG 4.41Å; W1014-P1020 HydrophobicContact CB-CG 3.86Å; W1014-P1020 HydrophobicContact CD2-CG 4.3Å; W1014-P1020 HydrophobicContact CE3-CG 4.16Å; W1014-P1020 HydrophobicContact CG-CG 4.19Å; A1018-P1020 VanDerWaalsContact O-CD 3.27Å; A1018-P1020 WeakPolarHBondContact O-CD 3.17Å; P1020-V1042 HydrophobicContact CB-CG1 4.13Å; P1020-I1053 HydrophobicContact CB-CG2 4.04Å; P1020-G1060 PolarHBondContact O-N 3.33Å
1021	W	94.8	Very high	89.7	Confident	7 Å²	7	56 Å²	56	3%	0.027	33%	0.328	C	S	.	.	S	Bend	trans	-72.1	-32.1	173.1	-168.7	-97.3	0	0	0	112.5	L1009 L1012 N1019 F1029 P1032 E1040 V1042 R1062 Q1065	L1009-W1021 HydrophobicContact CD1-CB 4.25Å; L1012-W1021 HydrophobicContact CD2-CB 3.84Å; L1012-W1021 HydrophobicContact CD2-CG 4.24Å; N1019-W1021 VanDerWaalsContact C-N 3.25Å; N1019-W1021 PolarHBondContact O-N 3.41Å; N1019-W1021 PolarHBondContact OD1-N 2.81Å; W1021-F1029 AromaticContact CH2-CD1 3.82Å; W1021-F1029 HydrophobicContact CH2-CD1 3.82Å; W1021-F1029 HydrophobicContact CH2-CE1 4.1Å; W1021-F1029 HydrophobicContact CH2-CG 4.04Å; W1021-F1029 HydrophobicContact CZ2-CB 3.82Å; W1021-F1029 AromaticContact CZ2-CD1 3.93Å; W1021-F1029 HydrophobicContact CZ2-CD1 3.93Å; W1021-F1029 HydrophobicContact CZ2-CD2 4.19Å; W1021-F1029 AromaticContact CZ2-CG 3.7Å; W1021-F1029 HydrophobicContact CZ2-CG 3.7Å; W1021-P1032 HydrophobicContact CG-CG 4.41Å; W1021-E1040 HydrophobicContact CD2-CB 3.98Å; W1021-E1040 HydrophobicContact CD2-CG 3.61Å; W1021-E1040 HydrophobicContact CE3-CB 3.39Å; W1021-E1040 HydrophobicContact CE3-CG 3.53Å; W1021-E1040 HydrophobicContact CG-CG 4.22Å; W1021-E1040 HydrophobicContact CH2-CB 4.28Å; W1021-E1040 HydrophobicContact CH2-CG 4.04Å; W1021-E1040 HydrophobicContact CZ2-CG 4.1Å; W1021-E1040 HydrophobicContact CZ3-CB 3.56Å; W1021-E1040 HydrophobicContact CZ3-CG 3.76Å; W1021-V1042 HydrophobicContact CE3-CG2 3.58Å; W1021-V1042 HydrophobicContact CZ3-CG2 4.18Å; W1021-R1062 HydrophobicContact CD2-CG 4.06Å; W1021-R1062 HydrophobicContact CE3-CB 4.42Å; W1021-R1062 HydrophobicContact CE3-CG 3.96Å; W1021-R1062 HydrophobicContact CH2-CB 4.04Å; W1021-R1062 HydrophobicContact CH2-CG 4.2Å; W1021-R1062 HydrophobicContact CZ2-CB 4.49Å; W1021-R1062 HydrophobicContact CZ2-CG 4.28Å; W1021-R1062 HydrophobicContact CZ3-CB 4.01Å; W1021-R1062 HydrophobicContact CZ3-CG 4.04Å; W1021-R1062 VanDerWaalsContact O-CZ 3.22Å; W1021-R1062 PolarHBondContact O-NE 3.02Å; W1021-R1062 PolarHBondContact O-NH2 3.47Å; W1021-Q1065 HydrophobicContact CH2-CG 3.55Å; W1021-Q1065 HydrophobicContact CZ2-CG 3.84Å; W1021-Q1065 HydrophobicContact CZ3-CG 4.44Å
1022	G	90.1	Very high	89.6	Confident	9 Å²	9	56.8 Å²	56.8	9%	0.093	33%	0.334	C	S	.	.			trans	88.6	174.2	-174.5	0	0	0	0	0	114.4	N1019 T1059	N1019-G1022 VanDerWaalsContact ND2-C 3.27Å; N1019-G1022 PolarHBondContact ND2-O 3.37Å; N1019-G1022 PolarHBondContact O-N 3.38Å; N1019-G1022 VanDerWaalsContact O-N 3.16Å; N1019-G1022 PolarHBondContact OD1-N 3.26Å; N1019-G1022 VanDerWaalsContact OD1-N 3.15Å; G1022-T1059 VanDerWaalsContact CA-CG2 3.44Å
1023	V	85.1	Confident	89.5	Confident	137 Å²	137	56.2 Å²	56.2	83%	0.83	33%	0.333	S	S	*	.	S	Bend	trans	-104.2	-19.1	-178.1	-173.5	0	0	0	0	111.6	K1025	V1023-K1025 PolarHBondContact O-N 2.77Å
1024	E	84.3	Confident	89.4	Confident	157 Å²	157	56.7 Å²	56.7	73%	0.734	33%	0.334	S	S	*	.	S	Bend	trans	-68	128.4	-179.5	-64.2	179.5	-178.6	0	0	110.6	R1062	E1024-R1062 PolarHBondContact O-NH1 2.89Å; E1024-R1062 PolarHBondContact O-NH2 2.88Å
1025	K	82.8	Confident	89.4	Confident	158 Å²	158	61 Å²	61	69%	0.687	35%	0.353	S	S	*	.			trans	-70.4	134.8	174.5	-169.7	-171.3	176.1	-130.8	0	108.8	V1023 D1027	V1023-K1025 PolarHBondContact O-N 2.77Å; K1025-D1027 IonicContact NZ-OD1 3.86Å; K1025-D1027 PolarHBondContact NZ-OD1 3.43Å
1026	D	87	Confident	89.8	Confident	62 Å²	62	62.1 Å²	62.1	33%	0.332	35%	0.353	S	S	.	.			trans	-127.2	122.1	173.9	174.8	-6.2	0	0	0	107.2	A1028 F1029 R1062	D1026-A1028 PolarHBondContact O-N 3.04Å; D1026-A1028 VanDerWaalsContact O-N 3.16Å; D1026-A1028 VanDerWaalsContact OD1-CB 3.28Å; D1026-A1028 WeakPolarHBondContact OD1-CB 2.9Å; D1026-A1028 PolarHBondContact OD1-N 3.39Å; D1026-F1029 HydrophobicContact CB-CD2 4.35Å; D1026-F1029 PolarHBondContact O-N 3.37Å; D1026-F1029 WeakPolarHBondContact OD2-CD2 3.48Å; D1026-R1062 IonicContact OD2-NH1 2.93Å
1027	D	86.9	Confident	90.3	Very high	138 Å²	138	61 Å²	61	74%	0.738	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.4	-174.1	-64.8	-41.9	0	0	0	112.6	K1025 F1029	K1025-D1027 IonicContact NZ-OD1 3.86Å; K1025-D1027 PolarHBondContact NZ-OD1 3.43Å; D1027-F1029 PolarHBondContact O-N 3.34Å
1028	A	89.2	Confident	90.7	Very high	76 Å²	76	62.1 Å²	62.1	63%	0.628	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.1	170.4	0	0	0	0	0	113.3	D1026	D1026-A1028 PolarHBondContact O-N 3.04Å; D1026-A1028 VanDerWaalsContact O-N 3.16Å; D1026-A1028 VanDerWaalsContact OD1-CB 3.28Å; D1026-A1028 WeakPolarHBondContact OD1-CB 2.9Å; D1026-A1028 PolarHBondContact OD1-N 3.39Å
1029	F	92.9	Very high	91	Very high	49 Å²	49	61.7 Å²	61.7	22%	0.215	34%	0.337	C	S	.	.	S	Bend	trans	-128.1	152.4	-174.6	-62.4	-76.3	0	0	0	112.3	W1021 D1026 D1027 R1062 Q1065	W1021-F1029 AromaticContact CH2-CD1 3.82Å; W1021-F1029 HydrophobicContact CH2-CD1 3.82Å; W1021-F1029 HydrophobicContact CH2-CE1 4.1Å; W1021-F1029 HydrophobicContact CH2-CG 4.04Å; W1021-F1029 HydrophobicContact CZ2-CB 3.82Å; W1021-F1029 AromaticContact CZ2-CD1 3.93Å; W1021-F1029 HydrophobicContact CZ2-CD1 3.93Å; W1021-F1029 HydrophobicContact CZ2-CD2 4.19Å; W1021-F1029 AromaticContact CZ2-CG 3.7Å; W1021-F1029 HydrophobicContact CZ2-CG 3.7Å; D1026-F1029 HydrophobicContact CB-CD2 4.35Å; D1026-F1029 PolarHBondContact O-N 3.37Å; D1026-F1029 WeakPolarHBondContact OD2-CD2 3.48Å; D1027-F1029 PolarHBondContact O-N 3.34Å; F1029-R1062 HydrophobicContact CD2-CB 4.47Å; F1029-R1062 HydrophobicContact CE2-CB 3.82Å; F1029-R1062 HydrophobicContact CZ-CB 4.06Å; F1029-Q1065 HydrophobicContact CD1-CG 4.01Å
1030	T	91.9	Very high	91.2	Very high	75 Å²	75	59.8 Å²	59.8	46%	0.46	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.6	153.3	173.2	60.1	0	0	0	0	110.6	P1032 Q1065	T1030-P1032 WeakPolarHBondContact O-CD 2.78Å; T1030-P1032 VanDerWaalsContact O-N 3.16Å; T1030-Q1065 PolarHBondContact O-NE2 2.98Å; T1030-Q1065 PolarHBondContact O-OE1 3.5Å; T1030-Q1065 PolarHBondContact OG1-OE1 3.31Å
1031	T	91.6	Very high	91.4	Very high	104 Å²	104	59.8 Å²	59.8	64%	0.638	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-64.5	116.5	178	-57.1	0	0	0	0	109.9
1032	P	92.6	Very high	91.5	Very high	19 Å²	19	59.4 Å²	59.4	12%	0.123	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-72.5	138.1	-172.4	27.7	-35.8	0	0	0	113	L1012 W1021 T1030 E1040	L1012-P1032 HydrophobicContact CD1-CB 4.17Å; L1012-P1032 HydrophobicContact CD1-CG 3.67Å; L1012-P1032 HydrophobicContact CD2-CB 3.91Å; L1012-P1032 HydrophobicContact CD2-CG 3.76Å; L1012-P1032 HydrophobicContact CG-CB 4.37Å; L1012-P1032 HydrophobicContact CG-CG 4.23Å; W1021-P1032 HydrophobicContact CG-CG 4.41Å; T1030-P1032 WeakPolarHBondContact O-CD 2.78Å; T1030-P1032 VanDerWaalsContact O-N 3.16Å; P1032-E1040 HydrophobicContact CB-CG 3.74Å; P1032-E1040 WeakPolarHBondContact CB-OE1 3.17Å; P1032-E1040 HydrophobicContact CG-CG 4.49Å
1033	T	91.8	Very high	91.8	Very high	40 Å²	40	59 Å²	59	25%	0.245	32%	0.321	C	S	.	.			trans	-146	149.3	176	64.2	0	0	0	0	111.3	F1035 D1036	T1033-F1035 HydrophobicContact CG2-CE1 4.31Å; T1033-F1035 HydrophobicContact CG2-CE2 4.37Å; T1033-F1035 HydrophobicContact CG2-CZ 3.91Å; T1033-F1035 PolarHBondContact O-N 3.36Å; T1033-D1036 WeakPolarHBondContact CA-OD2 3.34Å; T1033-D1036 PolarHBondContact N-OD2 3.1Å; T1033-D1036 PolarHBondContact O-N 3.17Å; T1033-D1036 VanDerWaalsContact OG1-CB 3.26Å; T1033-D1036 WeakPolarHBondContact OG1-CB 3.45Å; T1033-D1036 VanDerWaalsContact OG1-CG 3.28Å; T1033-D1036 PolarHBondContact OG1-N 3.26Å; T1033-D1036 PolarHBondContact OG1-OD2 3.07Å
1034	H	91.5	Very high	92.3	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.06	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	20.4	-178.4	55.2	-85	0	0	0	114.6	I889 R890 L891 D892 N1010 I1011	I889-H1034 VanDerWaalsContact CD1-NE2 3.34Å; I889-H1034 WeakPolarHBondContact CD1-NE2 3.37Å; R890-H1034 PolarHBondContact O-CD2 3.46Å; L891-H1034 HydrophobicContact CD1-CB 3.98Å; D892-H1034 PolarHBondContact N-O 3.43Å; N1010-H1034 WeakPolarHBondContact O-CA 3.39Å; N1010-H1034 VanDerWaalsContact O-CB 3.24Å; N1010-H1034 WeakPolarHBondContact O-CB 3.45Å; I1011-H1034 HydrophobicContact CG2-CB 3.93Å
1035	F	91.9	Very high	92.7	Very high	93 Å²	93	47.8 Å²	47.8	41%	0.408	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.2	10.8	-177.1	55.2	-95.4	0	0	0	113.7	I889 R890 D892 T1033 G1037	I889-F1035 HydrophobicContact CD1-CD1 4.08Å; I889-F1035 HydrophobicContact CD1-CE1 3.66Å; I889-F1035 HydrophobicContact CG1-CD1 3.89Å; I889-F1035 HydrophobicContact CG1-CE1 3.94Å; R890-F1035 HydrophobicContact CB-CB 4.03Å; D892-F1035 WeakPolarHBondContact OD2-CA 3.36Å; T1033-F1035 HydrophobicContact CG2-CE1 4.31Å; T1033-F1035 HydrophobicContact CG2-CE2 4.37Å; T1033-F1035 HydrophobicContact CG2-CZ 3.91Å; T1033-F1035 PolarHBondContact O-N 3.36Å; F1035-G1037 VanDerWaalsContact C-N 3.34Å
1036	D	93.3	Very high	93.1	Very high	48 Å²	48	40.6 Å²	40.6	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	-84.7	-8	176.9	50.1	28	0	0	0	113.2	T1033 Q1038	T1033-D1036 WeakPolarHBondContact CA-OD2 3.34Å; T1033-D1036 PolarHBondContact N-OD2 3.1Å; T1033-D1036 PolarHBondContact O-N 3.17Å; T1033-D1036 VanDerWaalsContact OG1-CB 3.26Å; T1033-D1036 WeakPolarHBondContact OG1-CB 3.45Å; T1033-D1036 VanDerWaalsContact OG1-CG 3.28Å; T1033-D1036 PolarHBondContact OG1-N 3.26Å; T1033-D1036 PolarHBondContact OG1-OD2 3.07Å; D1036-Q1038 VanDerWaalsContact C-N 3.34Å; D1036-Q1038 PolarHBondContact OD1-N 2.96Å
1037	G	93.3	Very high	93.2	Very high	10 Å²	10	38.6 Å²	38.6	10%	0.103	22%	0.224	C	C	.	.	S	Bend	trans	73.2	23.8	-174.7	0	0	0	0	0	114.1	D892 W894 F1035	D892-G1037 VanDerWaalsContact OD2-CA 3.24Å; D892-G1037 WeakPolarHBondContact OD2-CA 3.43Å; D892-G1037 PolarHBondContact OD2-N 3.33Å; W894-G1037 WeakPolarHBondContact CH2-O 3.24Å; F1035-G1037 VanDerWaalsContact C-N 3.34Å
1038	Q	95.4	Very high	93.3	Very high	59 Å²	59	36.1 Å²	36.1	28%	0.276	21%	0.214	S	C	.	.			trans	-122.8	158.6	172.7	-63.6	-174.3	53.7	0	0	111	W894 D1036	W894-Q1038 WeakPolarHBondContact CZ2-O 3.42Å; D1036-Q1038 VanDerWaalsContact C-N 3.34Å; D1036-Q1038 PolarHBondContact OD1-N 2.96Å
1039	L	97.5	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.3	171.7	-69.8	171.1	0	0	0	109.5	W894 M931 I1008 L1009 N1010 Q1065 G1066 I1069 V1095	W894-L1039 HydrophobicContact CD2-CD1 3.61Å; W894-L1039 HydrophobicContact CD2-CD2 3.79Å; W894-L1039 HydrophobicContact CD2-CG 3.73Å; W894-L1039 VanDerWaalsContact CE2-CD2 3.45Å; W894-L1039 HydrophobicContact CE3-CD1 3.47Å; W894-L1039 VanDerWaalsContact CE3-CD1 3.47Å; W894-L1039 HydrophobicContact CE3-CD2 4.44Å; W894-L1039 HydrophobicContact CE3-CG 3.89Å; W894-L1039 HydrophobicContact CG-CD1 4.15Å; W894-L1039 HydrophobicContact CG-CD2 4.01Å; W894-L1039 HydrophobicContact CG-CG 4.4Å; W894-L1039 HydrophobicContact CH2-CD1 4.18Å; W894-L1039 HydrophobicContact CH2-CG 3.76Å; W894-L1039 HydrophobicContact CZ2-CD1 4.3Å; W894-L1039 HydrophobicContact CZ2-CD2 3.88Å; W894-L1039 HydrophobicContact CZ2-CG 3.6Å; W894-L1039 HydrophobicContact CZ3-CD1 3.78Å; W894-L1039 HydrophobicContact CZ3-CG 3.9Å; M931-L1039 HydrophobicContact CE-CD1 4.11Å; M931-L1039 HydrophobicContact CE-CD2 3.56Å; I1008-L1039 HydrophobicContact CG2-CB 3.8Å; I1008-L1039 HydrophobicContact CG2-CD1 3.72Å; I1008-L1039 HydrophobicContact CG2-CD2 4.31Å; I1008-L1039 HydrophobicContact CG2-CG 4.16Å; L1009-L1039 WeakPolarHBondContact O-CA 3.44Å; L1009-L1039 VanDerWaalsContact O-CD2 3.31Å; L1009-L1039 WeakPolarHBondContact O-CD2 3.01Å; N1010-L1039 HydrophobicContact CB-CD2 3.67Å; L1039-Q1065 VanDerWaalsContact O-CA 3.24Å; L1039-Q1065 WeakPolarHBondContact O-CA 3.42Å; L1039-G1066 PolarHBondContact N-O 3.48Å; L1039-G1066 PolarHBondContact O-N 3.18Å; L1039-G1066 VanDerWaalsContact O-N 3.09Å; L1039-I1069 HydrophobicContact CB-CD1 3.92Å; L1039-I1069 HydrophobicContact CD1-CD1 3.76Å; L1039-I1069 HydrophobicContact CG-CD1 4.49Å; L1039-V1095 HydrophobicContact CD1-CB 4.36Å; L1039-V1095 HydrophobicContact CD1-CG1 3.49Å; L1039-V1095 VanDerWaalsContact CD1-CG1 3.49Å
1040	E	97	Very high	93.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	175.1	-75	71.4	-126.3	0	0	110.9	I1008 L1009 W1021 P1032 Q1065	I1008-E1040 CarbonylContact C-O 3.58Å; I1008-E1040 WeakPolarHBondContact CA-O 3.31Å; L1009-E1040 HydrophobicContact CB-CB 4.11Å; L1009-E1040 HydrophobicContact CD1-CB 4.17Å; L1009-E1040 PolarHBondContact N-O 3.14Å; L1009-E1040 PolarHBondContact O-N 2.98Å; W1021-E1040 HydrophobicContact CD2-CB 3.98Å; W1021-E1040 HydrophobicContact CD2-CG 3.61Å; W1021-E1040 HydrophobicContact CE3-CB 3.39Å; W1021-E1040 HydrophobicContact CE3-CG 3.53Å; W1021-E1040 HydrophobicContact CG-CG 4.22Å; W1021-E1040 HydrophobicContact CH2-CB 4.28Å; W1021-E1040 HydrophobicContact CH2-CG 4.04Å; W1021-E1040 HydrophobicContact CZ2-CG 4.1Å; W1021-E1040 HydrophobicContact CZ3-CB 3.56Å; W1021-E1040 HydrophobicContact CZ3-CG 3.76Å; P1032-E1040 HydrophobicContact CB-CG 3.74Å; P1032-E1040 WeakPolarHBondContact CB-OE1 3.17Å; P1032-E1040 HydrophobicContact CG-CG 4.49Å; E1040-Q1065 HydrophobicContact CG-CG 4.24Å; E1040-Q1065 PolarHBondContact OE1-NE2 2.96Å
1041	I	97.7	Very high	93.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.6	179	-47.3	-173.2	0	0	0	109.6	V991 V993 V1006 I1008 L1063 A1064 I1069	V991-I1041 HydrophobicContact CG1-CD1 4.47Å; V993-I1041 HydrophobicContact CB-CD1 4.48Å; V993-I1041 HydrophobicContact CG1-CD1 4.38Å; V993-I1041 HydrophobicContact CG2-CD1 3.27Å; V1006-I1041 HydrophobicContact CG1-CG2 3.78Å; I1008-I1041 HydrophobicContact CG1-CG1 4.38Å; I1008-I1041 HydrophobicContact CG1-CG2 4.32Å; I1041-L1063 HydrophobicContact CB-CB 4.33Å; I1041-L1063 HydrophobicContact CG2-CB 4.16Å; I1041-L1063 HydrophobicContact CG2-CD1 4.07Å; I1041-L1063 WeakPolarHBondContact O-CB 3.27Å; I1041-L1063 PolarHBondContact O-N 3.34Å; I1041-A1064 HydrophobicContact CB-CB 4.45Å; I1041-A1064 HydrophobicContact CD1-CB 4.2Å; I1041-A1064 HydrophobicContact CG1-CB 4.47Å; I1041-A1064 PolarHBondContact N-O 3.28Å; I1041-I1069 HydrophobicContact CD1-CD1 3.59Å; I1041-I1069 HydrophobicContact CD1-CG1 3.93Å; I1041-I1069 HydrophobicContact CD1-CG2 4.15Å; I1041-I1069 HydrophobicContact CG1-CD1 3.9Å
1042	V	97	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.2	-176.6	-176.8	0	0	0	0	111.2	V1006 I1007 L1009 P1020 W1021 G1060 I1061	V1006-V1042 CarbonylContact C-O 3.53Å; V1006-V1042 WeakPolarHBondContact CA-O 3.27Å; I1007-V1042 PolarHBondContact N-O 3.43Å; I1007-V1042 PolarHBondContact O-N 3.02Å; L1009-V1042 HydrophobicContact CD1-CG2 3.9Å; P1020-V1042 HydrophobicContact CB-CG1 4.13Å; W1021-V1042 HydrophobicContact CE3-CG2 3.58Å; W1021-V1042 HydrophobicContact CZ3-CG2 4.18Å; V1042-G1060 VanDerWaalsContact CG1-CA 3.46Å; V1042-I1061 CarbonylContact C-O 3.6Å; V1042-I1061 VanDerWaalsContact CA-O 3.31Å; V1042-I1061 WeakPolarHBondContact CA-O 3.35Å
1043	G	96.8	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.1	170.9	0	0	0	0	0	112.5	I1061	G1043-I1061 PolarHBondContact N-O 3.31Å; G1043-I1061 PolarHBondContact O-N 3.06Å
1044	V	95.3	Very high	92.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142	169.1	-63.6	0	0	0	0	110.6	I939 E1004 G1005 I1007 M1050 I1053	I939-V1044 HydrophobicContact CG2-CG2 3.82Å; E1004-V1044 PolarHBondContact N-O 2.89Å; G1005-V1044 PolarHBondContact N-O 3.25Å; G1005-V1044 PolarHBondContact O-N 2.72Å; I1007-V1044 HydrophobicContact CD1-CG1 3.88Å; I1007-V1044 HydrophobicContact CD1-CG2 4.49Å; V1044-M1050 HydrophobicContact CB-CG 4.18Å; V1044-M1050 HydrophobicContact CG1-CG 4.31Å; V1044-M1050 HydrophobicContact CG2-CG 4.32Å; V1044-I1053 HydrophobicContact CG1-CD1 3.81Å
1045	T	93.4	Very high	92.7	Very high	59 Å²	59	31.9 Å²	31.9	36%	0.362	18%	0.182	S	C	.	.			trans	-101.5	8.7	-172	61.7	0	0	0	0	113.1	L1003 H1049 I1061	L1003-T1045 HydrophobicContact CD2-CG2 3.97Å; T1045-H1049 PolarHBondContact N-ND1 3.31Å; T1045-H1049 VanDerWaalsContact OG1-CB 3.26Å; T1045-H1049 WeakPolarHBondContact OG1-CB 3.36Å; T1045-H1049 PolarHBondContact OG1-ND1 3.43Å; T1045-I1061 HydrophobicContact CG2-CD1 3.72Å
1046	G	90.5	Very high	92.4	Very high	6 Å²	6	30.5 Å²	30.5	6%	0.062	19%	0.194	C	C	.	.	S	Bend	trans	134.3	179.3	-179.6	0	0	0	0	0	113.4	E1004 V1048 H1049 M1050	E1004-G1046 WeakPolarHBondContact OE2-CA 3.47Å; G1046-V1048 PolarHBondContact O-N 2.96Å; G1046-H1049 WeakPolarHBondContact O-CB 3.5Å; G1046-H1049 PolarHBondContact O-N 2.66Å; G1046-H1049 VanDerWaalsContact O-N 3.17Å; G1046-M1050 WeakPolarHBondContact O-CG 3.47Å; G1046-M1050 PolarHBondContact O-N 3.22Å
1047	V	88.9	Confident	92.3	Very high	20 Å²	20	34.8 Å²	34.8	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-36.5	-170.7	-175.9	0	0	0	0	113.3	I939 L943 G972 K975 M976 H1049 M1050 G1051	I939-V1047 HydrophobicContact CD1-CG2 4Å; I939-V1047 HydrophobicContact CG1-CG2 3.85Å; L943-V1047 HydrophobicContact CD1-CG2 4.48Å; G972-V1047 WeakPolarHBondContact O-CG1 3.35Å; K975-V1047 HydrophobicContact CB-CG2 4.04Å; M976-V1047 HydrophobicContact CG-CB 3.69Å; M976-V1047 HydrophobicContact CG-CG1 3.57Å; M976-V1047 HydrophobicContact SD-CG1 4.15Å; V1047-H1049 VanDerWaalsContact C-N 3.34Å; V1047-H1049 PolarHBondContact O-N 3.3Å; V1047-M1050 WeakPolarHBondContact O-CB 3.26Å; V1047-M1050 PolarHBondContact O-N 3Å; V1047-G1051 PolarHBondContact O-N 3.36Å
1048	V	90.1	Very high	92.2	Very high	87 Å²	87	41.6 Å²	41.6	53%	0.527	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-42.9	177	176.6	0	0	0	0	111	M976 G1046 G1051 Q1052	M976-V1048 HydrophobicContact CE-CG2 3.79Å; M976-V1048 HydrophobicContact SD-CG2 4.4Å; G1046-V1048 PolarHBondContact O-N 2.96Å; V1048-G1051 PolarHBondContact O-N 3.48Å; V1048-Q1052 WeakPolarHBondContact O-CG 3.43Å; V1048-Q1052 PolarHBondContact O-N 3.08Å
1049	H	92.9	Very high	92.1	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.065	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-42.7	177.3	-176.5	-172.7	0	0	0	110.7	T1045 G1046 V1047 G1051 Q1052 I1053 T1059	T1045-H1049 PolarHBondContact N-ND1 3.31Å; T1045-H1049 VanDerWaalsContact OG1-CB 3.26Å; T1045-H1049 WeakPolarHBondContact OG1-CB 3.36Å; T1045-H1049 PolarHBondContact OG1-ND1 3.43Å; G1046-H1049 WeakPolarHBondContact O-CB 3.5Å; G1046-H1049 PolarHBondContact O-N 2.66Å; G1046-H1049 VanDerWaalsContact O-N 3.17Å; V1047-H1049 VanDerWaalsContact C-N 3.34Å; V1047-H1049 PolarHBondContact O-N 3.3Å; H1049-G1051 VanDerWaalsContact C-N 3.31Å; H1049-G1051 PolarHBondContact O-N 2.87Å; H1049-Q1052 WeakPolarHBondContact O-CB 3.49Å; H1049-Q1052 PolarHBondContact O-N 2.92Å; H1049-Q1052 VanDerWaalsContact O-N 3.14Å; H1049-I1053 WeakPolarHBondContact O-CG1 3.45Å; H1049-I1053 PolarHBondContact O-N 2.97Å; H1049-T1059 PolarHBondContact NE2-O 3.38Å
1050	M	89.9	Confident	91.9	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-42.9	171.9	-64.4	170.7	74.6	0	0	111.9	I939 D940 L943 W1014 V1044 G1046 V1047 Q1052 I1053 F1054	I939-M1050 HydrophobicContact CG1-SD 4.22Å; I939-M1050 HydrophobicContact CG2-SD 3.72Å; D940-M1050 HydrophobicContact CB-CE 3.89Å; L943-M1050 HydrophobicContact CD1-CE 3.85Å; L943-M1050 HydrophobicContact CD1-SD 4.14Å; W1014-M1050 HydrophobicContact CH2-CB 4.24Å; W1014-M1050 HydrophobicContact CH2-CE 3.46Å; W1014-M1050 VanDerWaalsContact CH2-CE 3.46Å; W1014-M1050 HydrophobicContact CH2-CG 4.25Å; W1014-M1050 HydrophobicContact CZ2-CE 3.42Å; W1014-M1050 VanDerWaalsContact CZ2-CE 3.42Å; V1044-M1050 HydrophobicContact CB-CG 4.18Å; V1044-M1050 HydrophobicContact CG1-CG 4.31Å; V1044-M1050 HydrophobicContact CG2-CG 4.32Å; G1046-M1050 WeakPolarHBondContact O-CG 3.47Å; G1046-M1050 PolarHBondContact O-N 3.22Å; V1047-M1050 WeakPolarHBondContact O-CB 3.26Å; V1047-M1050 PolarHBondContact O-N 3Å; M1050-Q1052 VanDerWaalsContact C-N 3.32Å; M1050-Q1052 PolarHBondContact O-N 2.88Å; M1050-I1053 WeakPolarHBondContact O-CB 3.35Å; M1050-I1053 PolarHBondContact O-N 3.49Å; M1050-I1053 VanDerWaalsContact O-N 3.13Å; M1050-F1054 HydrophobicContact CB-CE2 4.37Å; M1050-F1054 WeakPolarHBondContact O-CD2 3.43Å; M1050-F1054 PolarHBondContact O-N 3.05Å
1051	G	88	Confident	91.8	Very high	37 Å²	37	44.4 Å²	44.4	38%	0.381	26%	0.257	S	S	.	.	H	α-helix	trans	-58.7	-40.6	174.7	0	0	0	0	0	113.2	V1047 V1048 H1049 I1053 F1054 S1055	V1047-G1051 PolarHBondContact O-N 3.36Å; V1048-G1051 PolarHBondContact O-N 3.48Å; H1049-G1051 VanDerWaalsContact C-N 3.31Å; H1049-G1051 PolarHBondContact O-N 2.87Å; G1051-I1053 VanDerWaalsContact C-N 3.35Å; G1051-F1054 PolarHBondContact O-N 3.3Å; G1051-S1055 PolarHBondContact O-N 3.47Å; G1051-S1055 PolarHBondContact O-OG 2.81Å
1052	Q	91.8	Very high	91.7	Very high	53 Å²	53	46.5 Å²	46.5	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-68	-32.9	174.9	-68.9	171.1	-27.6	0	0	112.8	V1048 H1049 M1050 S1055 G1056 L1057 R1058	V1048-Q1052 WeakPolarHBondContact O-CG 3.43Å; V1048-Q1052 PolarHBondContact O-N 3.08Å; H1049-Q1052 WeakPolarHBondContact O-CB 3.49Å; H1049-Q1052 PolarHBondContact O-N 2.92Å; H1049-Q1052 VanDerWaalsContact O-N 3.14Å; M1050-Q1052 VanDerWaalsContact C-N 3.32Å; M1050-Q1052 PolarHBondContact O-N 2.88Å; Q1052-S1055 WeakPolarHBondContact CA-OG 3.13Å; Q1052-S1055 PolarHBondContact O-OG 2.86Å; Q1052-G1056 PolarHBondContact O-N 2.79Å; Q1052-L1057 HydrophobicContact CB-CB 4.46Å; Q1052-L1057 PolarHBondContact O-N 3.46Å; Q1052-R1058 HydrophobicContact CB-CB 4.05Å; Q1052-R1058 HydrophobicContact CB-CG 4.16Å; Q1052-R1058 PolarHBondContact O-N 3.28Å; Q1052-R1058 VanDerWaalsContact OE1-CD 3.32Å
1053	I	91	Very high	91.7	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-45.4	172.3	-65.9	166.3	0	0	0	110.3	W1014 A1018 P1020 V1044 H1049 M1050 G1051 S1055 G1056 R1058	W1014-I1053 HydrophobicContact CZ3-CG2 4.18Å; A1018-I1053 HydrophobicContact CB-CG2 4.14Å; P1020-I1053 HydrophobicContact CB-CG2 4.04Å; V1044-I1053 HydrophobicContact CG1-CD1 3.81Å; H1049-I1053 WeakPolarHBondContact O-CG1 3.45Å; H1049-I1053 PolarHBondContact O-N 2.97Å; M1050-I1053 WeakPolarHBondContact O-CB 3.35Å; M1050-I1053 PolarHBondContact O-N 3.49Å; M1050-I1053 VanDerWaalsContact O-N 3.13Å; G1051-I1053 VanDerWaalsContact C-N 3.35Å; I1053-S1055 VanDerWaalsContact C-N 3.27Å; I1053-S1055 PolarHBondContact O-N 3.25Å; I1053-G1056 PolarHBondContact O-N 3.4Å; I1053-R1058 WeakPolarHBondContact CA-O 3.23Å
1054	F	87.8	Confident	91.7	Very high	101 Å²	101	48.3 Å²	48.3	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-36.7	175.5	-77.7	-60.2	0	0	0	113	W1014 G1015 A1018 M1050 G1051 G1056	W1014-F1054 HydrophobicContact CE3-CE1 4.13Å; W1014-F1054 HydrophobicContact CE3-CZ 4.07Å; W1014-F1054 HydrophobicContact CH2-CD2 4.4Å; W1014-F1054 HydrophobicContact CH2-CE1 4.11Å; W1014-F1054 AromaticContact CH2-CE2 3.45Å; W1014-F1054 HydrophobicContact CH2-CE2 3.45Å; W1014-F1054 VanDerWaalsContact CH2-CE2 3.45Å; W1014-F1054 AromaticContact CH2-CZ 3.27Å; W1014-F1054 HydrophobicContact CH2-CZ 3.27Å; W1014-F1054 HydrophobicContact CZ2-CE2 4.43Å; W1014-F1054 HydrophobicContact CZ2-CZ 4.02Å; W1014-F1054 HydrophobicContact CZ3-CD1 4.35Å; W1014-F1054 HydrophobicContact CZ3-CD2 4.32Å; W1014-F1054 AromaticContact CZ3-CE1 3.66Å; W1014-F1054 HydrophobicContact CZ3-CE1 3.66Å; W1014-F1054 AromaticContact CZ3-CE2 3.69Å; W1014-F1054 HydrophobicContact CZ3-CE2 3.69Å; W1014-F1054 AromaticContact CZ3-CZ 3.3Å; W1014-F1054 HydrophobicContact CZ3-CZ 3.3Å; G1015-F1054 WeakPolarHBondContact O-CE1 3.15Å; A1018-F1054 HydrophobicContact CB-CD1 3.63Å; A1018-F1054 HydrophobicContact CB-CE1 3.87Å; A1018-F1054 HydrophobicContact CB-CG 4.48Å; M1050-F1054 HydrophobicContact CB-CE2 4.37Å; M1050-F1054 WeakPolarHBondContact O-CD2 3.43Å; M1050-F1054 PolarHBondContact O-N 3.05Å; G1051-F1054 PolarHBondContact O-N 3.3Å; F1054-G1056 VanDerWaalsContact C-N 3.27Å; F1054-G1056 PolarHBondContact O-N 3.49Å
1055	S	87.3	Confident	91.7	Very high	73 Å²	73	49.6 Å²	49.6	51%	0.51	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.2	176.4	71	0	0	0	0	113.7	G1051 Q1052 I1053 L1057	G1051-S1055 PolarHBondContact O-N 3.47Å; G1051-S1055 PolarHBondContact O-OG 2.81Å; Q1052-S1055 WeakPolarHBondContact CA-OG 3.13Å; Q1052-S1055 PolarHBondContact O-OG 2.86Å; I1053-S1055 VanDerWaalsContact C-N 3.27Å; I1053-S1055 PolarHBondContact O-N 3.25Å; S1055-L1057 PolarHBondContact O-N 2.86Å; S1055-L1057 WeakPolarHBondContact OG-CB 3.24Å; S1055-L1057 WeakPolarHBondContact OG-CD1 3.43Å; S1055-L1057 VanDerWaalsContact OG-CG 3.24Å; S1055-L1057 WeakPolarHBondContact OG-CG 3.41Å
1056	G	86.6	Confident	91.8	Very high	64 Å²	64	46.8 Å²	46.8	66%	0.66	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	14.9	-174.5	0	0	0	0	0	114.5	Q1052 I1053 F1054	Q1052-G1056 PolarHBondContact O-N 2.79Å; I1053-G1056 PolarHBondContact O-N 3.4Å; F1054-G1056 VanDerWaalsContact C-N 3.27Å; F1054-G1056 PolarHBondContact O-N 3.49Å
1057	L	89.5	Confident	92	Very high	137 Å²	137	47.5 Å²	47.5	72%	0.717	27%	0.273	S	S	*	.	S	Bend	trans	-78.8	-24.1	177.6	-72	174.8	0	0	0	112.1	Q1052 S1055	Q1052-L1057 HydrophobicContact CB-CB 4.46Å; Q1052-L1057 PolarHBondContact O-N 3.46Å; S1055-L1057 PolarHBondContact O-N 2.86Å; S1055-L1057 WeakPolarHBondContact OG-CB 3.24Å; S1055-L1057 WeakPolarHBondContact OG-CD1 3.43Å; S1055-L1057 VanDerWaalsContact OG-CG 3.24Å; S1055-L1057 WeakPolarHBondContact OG-CG 3.41Å
1058	R	91.3	Very high	92.4	Very high	153 Å²	153	49.4 Å²	49.4	58%	0.577	28%	0.28	S	S	*	.			trans	-141.8	162.8	175.9	-67.5	-163.3	177.4	-170.2	-5.6	110.7	Q1052 I1053	Q1052-R1058 HydrophobicContact CB-CB 4.05Å; Q1052-R1058 HydrophobicContact CB-CG 4.16Å; Q1052-R1058 PolarHBondContact O-N 3.28Å; Q1052-R1058 VanDerWaalsContact OE1-CD 3.32Å; I1053-R1058 WeakPolarHBondContact CA-O 3.23Å
1059	T	92.9	Very high	92.8	Very high	55 Å²	55	45.3 Å²	45.3	34%	0.337	26%	0.255	S	S	.	.			trans	-102.4	162.5	163.7	64.2	0	0	0	0	108.4	G1022 H1049	G1022-T1059 VanDerWaalsContact CA-CG2 3.44Å; H1049-T1059 PolarHBondContact NE2-O 3.38Å
1060	G	93.5	Very high	93	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.031	26%	0.262	C	S	.	.			trans	-69.2	170.8	165.8	0	0	0	0	0	111.5	P1020 V1042 R1062	P1020-G1060 PolarHBondContact O-N 3.33Å; V1042-G1060 VanDerWaalsContact CG1-CA 3.46Å; G1060-R1062 PolarHBondContact O-N 3.21Å
1061	I	95.3	Very high	93.3	Very high	61 Å²	61	47.3 Å²	47.3	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	114.7	179.1	-62.6	162.4	0	0	0	107.9	P1001 L1003 V1042 G1043 T1045 L1063	P1001-I1061 HydrophobicContact CG-CD1 4.44Å; P1001-I1061 HydrophobicContact CG-CG2 4.35Å; L1003-I1061 HydrophobicContact CD2-CD1 3.72Å; V1042-I1061 CarbonylContact C-O 3.6Å; V1042-I1061 VanDerWaalsContact CA-O 3.31Å; V1042-I1061 WeakPolarHBondContact CA-O 3.35Å; G1043-I1061 PolarHBondContact N-O 3.31Å; G1043-I1061 PolarHBondContact O-N 3.06Å; T1045-I1061 HydrophobicContact CG2-CD1 3.72Å; I1061-L1063 HydrophobicContact CG2-CD2 3.88Å; I1061-L1063 PolarHBondContact O-N 2.76Å
1062	R	95.9	Very high	93.7	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.166	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	112.1	175.8	-60.6	174.7	-175.2	170.5	-5	109	W1021 E1024 D1026 F1029 G1060	W1021-R1062 HydrophobicContact CD2-CG 4.06Å; W1021-R1062 HydrophobicContact CE3-CB 4.42Å; W1021-R1062 HydrophobicContact CE3-CG 3.96Å; W1021-R1062 HydrophobicContact CH2-CB 4.04Å; W1021-R1062 HydrophobicContact CH2-CG 4.2Å; W1021-R1062 HydrophobicContact CZ2-CB 4.49Å; W1021-R1062 HydrophobicContact CZ2-CG 4.28Å; W1021-R1062 HydrophobicContact CZ3-CB 4.01Å; W1021-R1062 HydrophobicContact CZ3-CG 4.04Å; W1021-R1062 VanDerWaalsContact O-CZ 3.22Å; W1021-R1062 PolarHBondContact O-NE 3.02Å; W1021-R1062 PolarHBondContact O-NH2 3.47Å; E1024-R1062 PolarHBondContact O-NH1 2.89Å; E1024-R1062 PolarHBondContact O-NH2 2.88Å; D1026-R1062 IonicContact OD2-NH1 2.93Å; F1029-R1062 HydrophobicContact CD2-CB 4.47Å; F1029-R1062 HydrophobicContact CE2-CB 3.82Å; F1029-R1062 HydrophobicContact CZ-CB 4.06Å; G1060-R1062 PolarHBondContact O-N 3.21Å
1063	L	96.2	Very high	93.9	Very high	30 Å²	30	45 Å²	45	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-47.1	-175.8	-62.7	173.8	0	0	0	111.7	L998 L1000 P1001 L1003 I1041 I1061	L998-L1063 HydrophobicContact CD1-CB 4.25Å; L1000-L1063 HydrophobicContact CD2-CD1 4.03Å; P1001-L1063 HydrophobicContact CG-CD2 4.04Å; L1003-L1063 HydrophobicContact CD1-CD1 3.82Å; L1003-L1063 HydrophobicContact CD1-CD2 4.26Å; I1041-L1063 HydrophobicContact CB-CB 4.33Å; I1041-L1063 HydrophobicContact CG2-CB 4.16Å; I1041-L1063 HydrophobicContact CG2-CD1 4.07Å; I1041-L1063 WeakPolarHBondContact O-CB 3.27Å; I1041-L1063 PolarHBondContact O-N 3.34Å; I1061-L1063 HydrophobicContact CG2-CD2 3.88Å; I1061-L1063 PolarHBondContact O-N 2.76Å
1064	A	96.6	Very high	94	Very high	9 Å²	9	50.4 Å²	50.4	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	166.4	-178.3	0	0	0	0	0	111.6	V993 L998 I1041	V993-A1064 HydrophobicContact CB-CB 4.4Å; V993-A1064 HydrophobicContact CG1-CB 4.3Å; V993-A1064 HydrophobicContact CG2-CB 3.99Å; L998-A1064 HydrophobicContact CD1-CB 3.79Å; L998-A1064 HydrophobicContact CD2-CB 3.94Å; I1041-A1064 HydrophobicContact CB-CB 4.45Å; I1041-A1064 HydrophobicContact CD1-CB 4.2Å; I1041-A1064 HydrophobicContact CG1-CB 4.47Å; I1041-A1064 PolarHBondContact N-O 3.28Å
1065	Q	96.4	Very high	94.1	Very high	26 Å²	26	47.7 Å²	47.7	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.3	155.4	-68	-179.3	-64.5	0	0	108.7	W1021 F1029 T1030 L1039 E1040	W1021-Q1065 HydrophobicContact CH2-CG 3.55Å; W1021-Q1065 HydrophobicContact CZ2-CG 3.84Å; W1021-Q1065 HydrophobicContact CZ3-CG 4.44Å; F1029-Q1065 HydrophobicContact CD1-CG 4.01Å; T1030-Q1065 PolarHBondContact O-NE2 2.98Å; T1030-Q1065 PolarHBondContact O-OE1 3.5Å; T1030-Q1065 PolarHBondContact OG1-OE1 3.31Å; L1039-Q1065 VanDerWaalsContact O-CA 3.24Å; L1039-Q1065 WeakPolarHBondContact O-CA 3.42Å; E1040-Q1065 HydrophobicContact CG-CG 4.24Å; E1040-Q1065 PolarHBondContact OE1-NE2 2.96Å
1066	G	95.9	Very high	94.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	169	174	0	0	0	0	0	115.1	D994 L1039	D994-G1066 WeakPolarHBondContact OD2-CA 3.38Å; L1039-G1066 PolarHBondContact N-O 3.48Å; L1039-G1066 PolarHBondContact O-N 3.18Å; L1039-G1066 VanDerWaalsContact O-N 3.09Å
1067	G	94.7	Very high	94.8	Very high	21 Å²	21	46.5 Å²	46.5	22%	0.216	23%	0.233	C	C	.	.	S	Bend	trans	-106.2	-9.5	-175.3	0	0	0	0	0	114.9	W894 D994	W894-G1067 WeakPolarHBondContact CZ3-O 3.25Å; D994-G1067 PolarHBondContact OD1-N 3.3Å; D994-G1067 PolarHBondContact OD2-N 2.77Å
1068	H	96.8	Very high	95	Very high	60 Å²	60	40.3 Å²	40.3	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	111	175.6	174.3	-67.9	0	0	0	109.2	V993 D994 L1096	V993-H1068 WeakPolarHBondContact CA-O 3.26Å; D994-H1068 PolarHBondContact N-O 3.17Å; D994-H1068 PolarHBondContact OD1-N 2.97Å; H1068-L1096 WeakPolarHBondContact CD2-CD2 3.33Å
1069	I	97.9	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.9	-178.3	-52.9	169.4	0	0	0	108.9	V991 E992 I1008 L1039 I1041 I1071 I1094 V1095	V991-I1069 HydrophobicContact CG1-CG2 4.21Å; E992-I1069 CarbonylContact O-C 3.57Å; E992-I1069 WeakPolarHBondContact O-CA 3.38Å; I1008-I1069 HydrophobicContact CD1-CD1 3.87Å; I1008-I1069 HydrophobicContact CD1-CG2 3.96Å; I1008-I1069 HydrophobicContact CG1-CD1 4.3Å; I1008-I1069 HydrophobicContact CG2-CD1 3.57Å; L1039-I1069 HydrophobicContact CB-CD1 3.92Å; L1039-I1069 HydrophobicContact CD1-CD1 3.76Å; L1039-I1069 HydrophobicContact CG-CD1 4.49Å; I1041-I1069 HydrophobicContact CD1-CD1 3.59Å; I1041-I1069 HydrophobicContact CD1-CG1 3.93Å; I1041-I1069 HydrophobicContact CD1-CG2 4.15Å; I1041-I1069 HydrophobicContact CG1-CD1 3.9Å; I1069-I1071 HydrophobicContact CG2-CG1 4.07Å; I1069-I1094 CarbonylContact O-C 3.54Å; I1069-I1094 VanDerWaalsContact O-CA 3.3Å; I1069-I1094 WeakPolarHBondContact O-CA 3.46Å; I1069-V1095 HydrophobicContact CB-CB 4.13Å; I1069-V1095 HydrophobicContact CB-CG2 4.47Å; I1069-V1095 PolarHBondContact N-O 3.22Å; I1069-V1095 PolarHBondContact O-N 2.93Å
1070	R	97.7	Very high	95.4	Very high	59 Å²	59	30.4 Å²	30.4	22%	0.223	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.1	170.9	179.4	-169.9	-50	-71.9	-11.3	108.8	V991 E992 I1093 I1094	V991-R1070 CarbonylContact C-O 3.56Å; V991-R1070 WeakPolarHBondContact CA-O 3.49Å; E992-R1070 HydrophobicContact CB-CB 4.24Å; E992-R1070 PolarHBondContact N-O 3.49Å; E992-R1070 PolarHBondContact O-N 3.06Å; E992-R1070 WeakPolarHBondContact OE2-CD 3.36Å; E992-R1070 IonicContact OE2-NE 2.74Å; E992-R1070 PolarHBondContact OE2-NE 3.08Å; R1070-I1093 CarbonylContact C-O 3.54Å; R1070-I1093 WeakPolarHBondContact CA-O 3.48Å; R1070-I1094 HydrophobicContact CG-CG1 4.46Å; R1070-I1094 VanDerWaalsContact NH1-CD1 3.27Å
1071	I	97.1	Very high	95.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.2	175.5	-48.1	177.2	0	0	0	107.6	F935 L937 I989 I990 V991 I1008 I1069 V1073 Q1092 I1093	F935-I1071 HydrophobicContact CD1-CD1 4.48Å; F935-I1071 HydrophobicContact CE1-CD1 3.8Å; L937-I1071 HydrophobicContact CD1-CD1 4.26Å; L937-I1071 HydrophobicContact CD1-CG2 4.07Å; I989-I1071 HydrophobicContact CB-CG2 4.24Å; I989-I1071 HydrophobicContact CG2-CG2 4.48Å; I990-I1071 CarbonylContact O-C 3.5Å; I990-I1071 VanDerWaalsContact O-CA 3.29Å; I990-I1071 WeakPolarHBondContact O-CA 3.43Å; V991-I1071 HydrophobicContact CG2-CG1 4.39Å; V991-I1071 HydrophobicContact CG2-CG2 4.29Å; I1008-I1071 HydrophobicContact CD1-CD1 3.86Å; I1069-I1071 HydrophobicContact CG2-CG1 4.07Å; I1071-V1073 HydrophobicContact CG2-CG2 4Å; I1071-Q1092 CarbonylContact O-C 3.58Å; I1071-Q1092 WeakPolarHBondContact O-CA 3.37Å; I1071-I1093 HydrophobicContact CB-CB 4.26Å; I1071-I1093 PolarHBondContact N-O 3.4Å; I1071-I1093 PolarHBondContact O-N 2.89Å
1072	T	96.5	Very high	95.4	Very high	37 Å²	37	29 Å²	29	23%	0.227	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.5	169.5	-56.3	0	0	0	0	108.4	I989 I990	I989-T1072 CarbonylContact C-O 3.53Å; I989-T1072 WeakPolarHBondContact CA-O 3.11Å; I990-T1072 PolarHBondContact N-O 2.82Å; I990-T1072 PolarHBondContact O-N 3.19Å
1073	V	94.6	Very high	95.1	Very high	5 Å²	5	28 Å²	28	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.6	-178.2	175.9	0	0	0	0	109	L937 I989 I1071 C1075 I1077 P1090 G1091 I1093	L937-V1073 HydrophobicContact CD1-CG2 4.21Å; I989-V1073 HydrophobicContact CG2-CG2 4.36Å; I1071-V1073 HydrophobicContact CG2-CG2 4Å; V1073-C1075 WeakPolarHBondContact CG1-O 3.25Å; V1073-I1077 HydrophobicContact CG1-CB 4.38Å; V1073-I1077 HydrophobicContact CG1-CG2 3.51Å; V1073-I1077 HydrophobicContact CG2-CG2 4.35Å; V1073-P1090 WeakPolarHBondContact O-CA 3.33Å; V1073-G1091 PolarHBondContact N-O 2.83Å; V1073-G1091 PolarHBondContact O-N 3.45Å; V1073-I1093 HydrophobicContact CG2-CD1 3.95Å; V1073-I1093 HydrophobicContact CG2-CG1 4.36Å
1074	K	92.6	Very high	94.9	Very high	118 Å²	118	30.3 Å²	30.3	51%	0.513	16%	0.163	S	C	.	.			trans	-97.5	-16.1	-175.1	-58.1	176.1	-170	168	0	114.5	Q987 N988	Q987-K1074 PolarHBondContact O-NZ 3.37Å; N988-K1074 VanDerWaalsContact O-CB 3.29Å; N988-K1074 WeakPolarHBondContact O-CB 3.24Å; N988-K1074 VanDerWaalsContact O-CG 3.31Å; N988-K1074 WeakPolarHBondContact O-CG 3.18Å; N988-K1074 PolarHBondContact O-N 3.23Å
1075	C	91.7	Very high	94.8	Very high	45 Å²	45	30.5 Å²	30.5	30%	0.304	16%	0.164	S	C	.	.	S	Bend	trans	-144.1	164.9	-176.8	67.5	0	0	0	0	110.6	V1073 I1077	V1073-C1075 WeakPolarHBondContact CG1-O 3.25Å; C1075-I1077 PolarHBondContact O-N 3.19Å
1076	D	92.7	Very high	94.7	Very high	106 Å²	106	30.4 Å²	30.4	57%	0.567	16%	0.162	S	C	*	.			trans	-56.1	126.1	171.8	-67.8	-5.9	0	0	0	110.4	I1087 Q1088 P1089 P1090	D1076-I1087 HydrophobicContact CB-CG2 3.99Å; D1076-Q1088 WeakPolarHBondContact CA-O 3.47Å; D1076-P1089 WeakPolarHBondContact OD1-CA 3.46Å; D1076-P1090 VanDerWaalsContact OD1-CD 3.31Å; D1076-P1090 WeakPolarHBondContact OD1-CD 3.35Å
1077	I	94.1	Very high	94.7	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.2	-175.8	-165.8	174.7	0	0	0	111.7	L937 L985 I989 V1073 C1075 V1079 Q1088	L937-I1077 HydrophobicContact CD1-CD1 4.46Å; L937-I1077 HydrophobicContact CD2-CD1 3.46Å; L937-I1077 VanDerWaalsContact CD2-CD1 3.46Å; L937-I1077 HydrophobicContact CG-CD1 3.76Å; L985-I1077 HydrophobicContact CD1-CD1 3.08Å; L985-I1077 HydrophobicContact CD1-CG1 4.42Å; L985-I1077 HydrophobicContact CG-CD1 4.48Å; I989-I1077 HydrophobicContact CG2-CD1 4.41Å; V1073-I1077 HydrophobicContact CG1-CB 4.38Å; V1073-I1077 HydrophobicContact CG1-CG2 3.51Å; V1073-I1077 HydrophobicContact CG2-CG2 4.35Å; C1075-I1077 PolarHBondContact O-N 3.19Å; I1077-V1079 HydrophobicContact CG2-CG1 3.98Å; I1077-V1079 PolarHBondContact O-N 3.5Å; I1077-Q1088 HydrophobicContact CG2-CB 4.34Å; I1077-Q1088 PolarHBondContact N-O 3.03Å; I1077-Q1088 PolarHBondContact O-N 3.4Å
1078	P	95.5	Very high	94.6	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.045	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.7	170.3	25	-32.9	0	0	0	111	G938 A941 D942 W1086 I1087	G938-P1078 PolarHBondContact N-O 2.79Å; A941-P1078 VanDerWaalsContact CB-C 3.47Å; A941-P1078 HydrophobicContact CB-CB 4.07Å; A941-P1078 WeakPolarHBondContact CB-O 3.42Å; D942-P1078 HydrophobicContact CB-CB 3.97Å; D942-P1078 HydrophobicContact CB-CG 3.58Å; P1078-W1086 WeakPolarHBondContact CA-O 3.14Å; P1078-I1087 HydrophobicContact CB-CD1 3.9Å
1079	V	96.4	Very high	94.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.9	173.5	-58.3	0	0	0	0	110.1	F935 G936 L937 I1077 P1085 W1086 Q1088 I1093	F935-V1079 HydrophobicContact CE2-CB 4.13Å; F935-V1079 HydrophobicContact CZ-CB 4.04Å; F935-V1079 HydrophobicContact CZ-CG1 4.07Å; G936-V1079 CarbonylContact O-C 3.5Å; G936-V1079 VanDerWaalsContact O-CA 3.24Å; G936-V1079 WeakPolarHBondContact O-CA 3.37Å; L937-V1079 HydrophobicContact CB-CG1 4.17Å; L937-V1079 HydrophobicContact CD1-CG1 3.92Å; L937-V1079 HydrophobicContact CG-CG1 3.95Å; I1077-V1079 HydrophobicContact CG2-CG1 3.98Å; I1077-V1079 PolarHBondContact O-N 3.5Å; V1079-P1085 CarbonylContact O-C 3.53Å; V1079-P1085 VanDerWaalsContact O-CA 3.28Å; V1079-P1085 WeakPolarHBondContact O-CA 3.49Å; V1079-W1086 HydrophobicContact CB-CZ2 4.39Å; V1079-W1086 HydrophobicContact CG2-CD2 3.57Å; V1079-W1086 HydrophobicContact CG2-CE3 4.02Å; V1079-W1086 HydrophobicContact CG2-CG 4.17Å; V1079-W1086 HydrophobicContact CG2-CH2 3.68Å; V1079-W1086 HydrophobicContact CG2-CZ2 3.17Å; V1079-W1086 HydrophobicContact CG2-CZ3 4.08Å; V1079-W1086 PolarHBondContact N-O 3.45Å; V1079-W1086 PolarHBondContact O-N 2.81Å; V1079-Q1088 HydrophobicContact CB-CB 4.4Å; V1079-Q1088 HydrophobicContact CG1-CB 3.86Å; V1079-Q1088 HydrophobicContact CG1-CG 4.5Å; V1079-Q1088 HydrophobicContact CG2-CB 3.6Å; V1079-Q1088 HydrophobicContact CG2-CG 4.45Å; V1079-I1093 HydrophobicContact CG1-CD1 4.27Å
1080	Q	95.3	Very high	94.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.7	172.8	63.8	151.8	-23.9	0	0	112.4	F935 G936 D940 A941 N944 E1084 P1085	F935-Q1080 WeakPolarHBondContact CA-O 3.46Å; F935-Q1080 WeakPolarHBondContact CD2-O 3.48Å; G936-Q1080 PolarHBondContact N-O 3.12Å; G936-Q1080 PolarHBondContact O-N 3.28Å; D940-Q1080 PolarHBondContact OD1-NE2 3.07Å; D940-Q1080 PolarHBondContact OD2-NE2 3.19Å; A941-Q1080 HydrophobicContact CB-CB 4.14Å; A941-Q1080 HydrophobicContact CB-CG 3.92Å; N944-Q1080 PolarHBondContact ND2-OE1 3.47Å; Q1080-E1084 VanDerWaalsContact CA-O 3.26Å; Q1080-E1084 WeakPolarHBondContact CA-O 3.32Å; Q1080-P1085 HydrophobicContact CB-CB 4.11Å
1081	V	95.2	Very high	93.9	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.7	169.7	175.1	0	0	0	0	108	V896 F929 M931 F935 G1083 E1084 W1086	V896-V1081 HydrophobicContact CG2-CG2 4.37Å; F929-V1081 HydrophobicContact CB-CG1 4.46Å; F929-V1081 HydrophobicContact CB-CG2 4.41Å; M931-V1081 HydrophobicContact CB-CG1 3.86Å; M931-V1081 HydrophobicContact CG-CG1 4.15Å; F935-V1081 HydrophobicContact CD2-CG2 3.64Å; F935-V1081 HydrophobicContact CE2-CG2 4.19Å; V1081-G1083 PolarHBondContact O-N 3.39Å; V1081-E1084 PolarHBondContact N-O 3.17Å; V1081-E1084 VanDerWaalsContact N-O 3.09Å; V1081-E1084 PolarHBondContact O-N 3.02Å; V1081-W1086 HydrophobicContact CB-CH2 4.48Å; V1081-W1086 HydrophobicContact CB-CZ3 4.31Å; V1081-W1086 HydrophobicContact CG2-CH2 3.66Å; V1081-W1086 HydrophobicContact CG2-CZ3 3.96Å
1082	D	94	Very high	93.8	Very high	27 Å²	27	35 Å²	35	14%	0.144	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	27.4	175.1	-69.9	-6	0	0	0	115.3	N932 N933 Y934	N932-D1082 WeakPolarHBondContact CA-OD2 3.48Å; N932-D1082 VanDerWaalsContact CB-OD2 3.32Å; N932-D1082 WeakPolarHBondContact CB-OD2 3.48Å; N932-D1082 PolarHBondContact N-OD1 3.42Å; N932-D1082 PolarHBondContact N-OD2 3.12Å; N932-D1082 PolarHBondContact ND2-OD2 3.38Å; N933-D1082 WeakPolarHBondContact CA-OD1 3.48Å; N933-D1082 WeakPolarHBondContact CB-OD1 3.33Å; N933-D1082 PolarHBondContact N-OD1 2.89Å; Y934-D1082 PolarHBondContact N-OD1 2.86Å; Y934-D1082 VanDerWaalsContact N-OD1 3.12Å; Y934-D1082 PolarHBondContact O-N 2.74Å
1083	G	89.9	Confident	93.8	Very high	22 Å²	22	33.3 Å²	33.3	23%	0.227	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-1.1	-178.2	0	0	0	0	0	115.7	N944 V1081 P1085	N944-G1083 WeakPolarHBondContact ND2-CA 3.34Å; N944-G1083 PolarHBondContact ND2-O 3.11Å; V1081-G1083 PolarHBondContact O-N 3.39Å; G1083-P1085 WeakPolarHBondContact O-CD 3.16Å
1084	E	91.5	Very high	93.9	Very high	79 Å²	79	33.4 Å²	33.4	37%	0.369	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107.7	174.7	-62.9	-58.7	151.5	0	0	110.4	H948 Q1080 V1081 W1086	H948-E1084 IonicContact CE1-OE2 3.11Å; H948-E1084 PolarHBondContact CE1-OE2 3.22Å; H948-E1084 IonicContact ND1-OE2 2.73Å; Q1080-E1084 VanDerWaalsContact CA-O 3.26Å; Q1080-E1084 WeakPolarHBondContact CA-O 3.32Å; V1081-E1084 PolarHBondContact N-O 3.17Å; V1081-E1084 VanDerWaalsContact N-O 3.09Å; V1081-E1084 PolarHBondContact O-N 3.02Å; E1084-W1086 WeakPolarHBondContact O-CZ3 3.48Å
1085	P	94.7	Very high	94.1	Very high	14 Å²	14	27.8 Å²	27.8	9%	0.091	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	152.2	-173.8	37.6	-33.4	0	0	0	113.6	N944 L945 H948 V1079 Q1080 G1083	N944-P1085 HydrophobicContact CB-CB 4.31Å; L945-P1085 HydrophobicContact CB-CB 4Å; L945-P1085 HydrophobicContact CB-CG 4.28Å; L945-P1085 HydrophobicContact CD1-CB 4.02Å; L945-P1085 HydrophobicContact CD1-CG 3.98Å; H948-P1085 HydrophobicContact CB-CG 3.54Å; V1079-P1085 CarbonylContact O-C 3.53Å; V1079-P1085 VanDerWaalsContact O-CA 3.28Å; V1079-P1085 WeakPolarHBondContact O-CA 3.49Å; Q1080-P1085 HydrophobicContact CB-CB 4.11Å; G1083-P1085 WeakPolarHBondContact O-CD 3.16Å
1086	W	94.5	Very high	94.3	Very high	23 Å²	23	28.4 Å²	28.4	9%	0.087	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	168.8	168.3	70.5	101.6	0	0	0	111.2	I898 F929 P1078 V1079 V1081 E1084	I898-W1086 HydrophobicContact CD1-CH2 4.32Å; I898-W1086 HydrophobicContact CD1-CZ2 3.46Å; I898-W1086 VanDerWaalsContact CD1-CZ2 3.46Å; F929-W1086 HydrophobicContact CE2-CH2 4.33Å; F929-W1086 HydrophobicContact CE2-CZ2 4.29Å; P1078-W1086 WeakPolarHBondContact CA-O 3.14Å; V1079-W1086 HydrophobicContact CB-CZ2 4.39Å; V1079-W1086 HydrophobicContact CG2-CD2 3.57Å; V1079-W1086 HydrophobicContact CG2-CE3 4.02Å; V1079-W1086 HydrophobicContact CG2-CG 4.17Å; V1079-W1086 HydrophobicContact CG2-CH2 3.68Å; V1079-W1086 HydrophobicContact CG2-CZ2 3.17Å; V1079-W1086 HydrophobicContact CG2-CZ3 4.08Å; V1079-W1086 PolarHBondContact N-O 3.45Å; V1079-W1086 PolarHBondContact O-N 2.81Å; V1081-W1086 HydrophobicContact CB-CH2 4.48Å; V1081-W1086 HydrophobicContact CB-CZ3 4.31Å; V1081-W1086 HydrophobicContact CG2-CH2 3.66Å; V1081-W1086 HydrophobicContact CG2-CZ3 3.96Å; E1084-W1086 WeakPolarHBondContact O-CZ3 3.48Å
1087	I	94.7	Very high	94.2	Very high	83 Å²	83	28.7 Å²	28.7	43%	0.426	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.2	168.3	-58.8	-58.6	0	0	0	109	L945 D1076 P1078 P1089	L945-I1087 HydrophobicContact CD2-CD1 3.41Å; L945-I1087 VanDerWaalsContact CD2-CD1 3.41Å; L945-I1087 HydrophobicContact CD2-CG1 3.81Å; D1076-I1087 HydrophobicContact CB-CG2 3.99Å; P1078-I1087 HydrophobicContact CB-CD1 3.9Å; I1087-P1089 WeakPolarHBondContact O-CD 3.47Å
1088	Q	93.5	Very high	93.9	Very high	7 Å²	7	29 Å²	29	3%	0.033	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.6	178.8	179.3	52.3	53.7	0	0	110.8	D1076 I1077 V1079 I1093	D1076-Q1088 WeakPolarHBondContact CA-O 3.47Å; I1077-Q1088 HydrophobicContact CG2-CB 4.34Å; I1077-Q1088 PolarHBondContact N-O 3.03Å; I1077-Q1088 PolarHBondContact O-N 3.4Å; V1079-Q1088 HydrophobicContact CB-CB 4.4Å; V1079-Q1088 HydrophobicContact CG1-CB 3.86Å; V1079-Q1088 HydrophobicContact CG1-CG 4.5Å; V1079-Q1088 HydrophobicContact CG2-CB 3.6Å; V1079-Q1088 HydrophobicContact CG2-CG 4.45Å; Q1088-I1093 HydrophobicContact CG-CD1 4.02Å
1089	P	92.3	Very high	93.3	Very high	32 Å²	32	33.7 Å²	33.7	21%	0.208	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.7	165.6	169.9	-23.5	34.2	0	0	0	113.6	E904 D1076 I1087	E904-P1089 WeakPolarHBondContact OE2-CB 3.34Å; D1076-P1089 WeakPolarHBondContact OD1-CA 3.46Å; I1087-P1089 WeakPolarHBondContact O-CD 3.47Å
1090	P	92.5	Very high	92.8	Very high	38 Å²	38	36.7 Å²	36.7	25%	0.247	21%	0.207	C	C	.	.	S	Bend	trans	-51.8	141	173.2	-24.1	32	0	0	0	112.9	D901 V1073 D1076	D901-P1090 PolarHBondContact N-O 3.09Å; V1073-P1090 WeakPolarHBondContact O-CA 3.33Å; D1076-P1090 VanDerWaalsContact OD1-CD 3.31Å; D1076-P1090 WeakPolarHBondContact OD1-CD 3.35Å
1091	G	92.8	Very high	92.5	Very high	8 Å²	8	40.1 Å²	40.1	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-163.8	-176.7	0	0	0	0	0	112.6	V1073	V1073-G1091 PolarHBondContact N-O 2.83Å; V1073-G1091 PolarHBondContact O-N 3.45Å
1092	Q	95	Very high	92.4	Very high	71 Å²	71	40 Å²	40	33%	0.332	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	177.3	-66.8	-170.7	-6.4	0	0	111.3	I898 K899 I1071	I898-Q1092 CarbonylContact C-O 3.49Å; I898-Q1092 WeakPolarHBondContact CA-O 3.42Å; K899-Q1092 HydrophobicContact CB-CB 4.38Å; K899-Q1092 PolarHBondContact N-O 3.17Å; K899-Q1092 PolarHBondContact O-N 2.88Å; I1071-Q1092 CarbonylContact O-C 3.58Å; I1071-Q1092 WeakPolarHBondContact O-CA 3.37Å
1093	I	96.7	Very high	92.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.8	170.2	-52.2	174.5	0	0	0	107.2	V896 V897 I898 F935 L937 R1070 I1071 V1073 V1079 Q1088	V896-I1093 HydrophobicContact CG1-CG2 3.65Å; V897-I1093 CarbonylContact O-C 3.5Å; I898-I1093 HydrophobicContact CG1-CG2 4.47Å; F935-I1093 HydrophobicContact CE2-CG2 4.39Å; F935-I1093 HydrophobicContact CZ-CD1 3.84Å; F935-I1093 HydrophobicContact CZ-CG2 4.11Å; L937-I1093 HydrophobicContact CD1-CD1 4.27Å; R1070-I1093 CarbonylContact C-O 3.54Å; R1070-I1093 WeakPolarHBondContact CA-O 3.48Å; I1071-I1093 HydrophobicContact CB-CB 4.26Å; I1071-I1093 PolarHBondContact N-O 3.4Å; I1071-I1093 PolarHBondContact O-N 2.89Å; V1073-I1093 HydrophobicContact CG2-CD1 3.95Å; V1073-I1093 HydrophobicContact CG2-CG1 4.36Å; V1079-I1093 HydrophobicContact CG1-CD1 4.27Å; Q1088-I1093 HydrophobicContact CG-CD1 4.02Å
1094	I	96.5	Very high	92.8	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.6	-177.9	-47.4	173	0	0	0	108	V896 V897 K899 I1069 R1070 L1096	V896-I1094 CarbonylContact C-O 3.6Å; V896-I1094 WeakPolarHBondContact CA-O 3.23Å; V897-I1094 HydrophobicContact CB-CB 4.47Å; V897-I1094 PolarHBondContact N-O 3.34Å; V897-I1094 PolarHBondContact O-N 3.31Å; K899-I1094 HydrophobicContact CD-CD1 4.1Å; I1069-I1094 CarbonylContact O-C 3.54Å; I1069-I1094 VanDerWaalsContact O-CA 3.3Å; I1069-I1094 WeakPolarHBondContact O-CA 3.46Å; R1070-I1094 HydrophobicContact CG-CG1 4.46Å; R1070-I1094 VanDerWaalsContact NH1-CD1 3.27Å; I1094-L1096 HydrophobicContact CG2-CD1 4.18Å; I1094-L1096 HydrophobicContact CG2-CD2 3.65Å; I1094-L1096 HydrophobicContact CG2-CG 3.75Å
1095	V	97	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118	174.4	-167.9	0	0	0	0	108.5	W894 T895 V896 M931 I1008 L1039 I1069	W894-V1095 HydrophobicContact CB-CG1 4.14Å; W894-V1095 HydrophobicContact CE3-CG1 4.38Å; T895-V1095 WeakPolarHBondContact O-CA 3.48Å; V896-V1095 HydrophobicContact CG2-CG1 4.27Å; V896-V1095 HydrophobicContact CG2-CG2 4.27Å; M931-V1095 HydrophobicContact CE-CG1 4.48Å; I1008-V1095 HydrophobicContact CD1-CG2 4.34Å; L1039-V1095 HydrophobicContact CD1-CB 4.36Å; L1039-V1095 HydrophobicContact CD1-CG1 3.49Å; L1039-V1095 VanDerWaalsContact CD1-CG1 3.49Å; I1069-V1095 HydrophobicContact CB-CB 4.13Å; I1069-V1095 HydrophobicContact CB-CG2 4.47Å; I1069-V1095 PolarHBondContact N-O 3.22Å; I1069-V1095 PolarHBondContact O-N 2.93Å
1096	L	95.2	Very high	92.8	Very high	57 Å²	57	36 Å²	36	30%	0.298	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150	-175.2	-59.8	175.2	0	0	0	110.1	W894 T895 V897 H1068 I1094 S1098	W894-L1096 CarbonylContact C-O 3.03Å; W894-L1096 WeakPolarHBondContact CA-O 3.34Å; W894-L1096 VanDerWaalsContact CE3-C 3.48Å; T895-L1096 PolarHBondContact N-O 2.99Å; T895-L1096 PolarHBondContact O-N 3.47Å; V897-L1096 HydrophobicContact CG2-CD1 4.49Å; H1068-L1096 WeakPolarHBondContact CD2-CD2 3.33Å; I1094-L1096 HydrophobicContact CG2-CD1 4.18Å; I1094-L1096 HydrophobicContact CG2-CD2 3.65Å; I1094-L1096 HydrophobicContact CG2-CG 3.75Å; L1096-S1098 PolarHBondContact O-N 3.47Å
1097	R	91.8	Very high	92.4	Very high	112 Å²	112	36.9 Å²	36.9	42%	0.423	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	128.5	169.4	-165.6	175.5	-169.8	165	10.6	109.8	D892 W894	D892-R1097 IonicContact OD1-CZ 3.44Å; D892-R1097 IonicContact OD1-NE 3.65Å; D892-R1097 IonicContact OD1-NH2 3.84Å; D892-R1097 PolarHBondContact OD1-NH2 2.83Å; D892-R1097 IonicContact OD2-NH2 3.84Å; D892-R1097 PolarHBondContact OD2-NH2 2.81Å; W894-R1097 HydrophobicContact CE3-CB 4.21Å; W894-R1097 HydrophobicContact CH2-CB 4.39Å; W894-R1097 HydrophobicContact CZ3-CB 3.88Å; W894-R1097 HydrophobicContact CZ3-CG 4.41Å
1098	S	87	Confident	91.7	Very high	12 Å²	12	40.8 Å²	40.8	8%	0.084	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	150.1	174.3	-164.5	0	0	0	0	110.8	R893 T895 L1096 L1100	R893-S1098 WeakPolarHBondContact O-CA 3.48Å; R893-S1098 WeakPolarHBondContact O-CB 3.25Å; R893-S1098 PolarHBondContact O-N 3.14Å; T895-S1098 WeakPolarHBondContact OG1-CB 3.48Å; T895-S1098 PolarHBondContact OG1-OG 3.04Å; L1096-S1098 PolarHBondContact O-N 3.47Å; S1098-L1100 PolarHBondContact O-N 2.55Å; S1098-L1100 WeakPolarHBondContact OG-CB 3.21Å; S1098-L1100 PolarHBondContact OG-N 2.92Å; S1098-L1100 VanDerWaalsContact OG-N 3.12Å
1099	A	82.7	Confident	90.8	Very high	105 Å²	105	47.7 Å²	47.7	87%	0.868	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	-24.4	162.9	0	0	0	0	0	111.2
1100	L	86.7	Confident	89.6	Confident	63 Å²	63	50.9 Å²	50.9	33%	0.33	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.6	178.4	-55.6	172.4	0	0	0	110.4	D812 V930 S1098	D812-L1100 HydrophobicContact CB-CD1 4.31Å; D812-L1100 HydrophobicContact CB-CD2 4.34Å; V930-L1100 HydrophobicContact CG2-CD1 4.42Å; S1098-L1100 PolarHBondContact O-N 2.55Å; S1098-L1100 WeakPolarHBondContact OG-CB 3.21Å; S1098-L1100 PolarHBondContact OG-N 2.92Å; S1098-L1100 VanDerWaalsContact OG-N 3.12Å
1101	K	87.9	Confident	87.6	Confident	73 Å²	73	60.1 Å²	60.1	32%	0.317	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.3	175.6	-68.9	-176.2	178.6	-173.5	0	108.9	D892	D892-K1101 WeakPolarHBondContact OD1-CE 3.4Å; D892-K1101 IonicContact OD1-NZ 3.21Å
1102	A	94.4	Very high	85	Confident	5 Å²	5	69 Å²	69	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151	177.4	0	0	0	0	0	111.6	L808 L891 M1104	L808-A1102 HydrophobicContact CD1-CB 4.37Å; L808-A1102 HydrophobicContact CD2-CB 3.65Å; L891-A1102 HydrophobicContact CB-CB 4.31Å; L891-A1102 PolarHBondContact N-O 3.33Å; L891-A1102 PolarHBondContact O-N 2.82Å; L891-A1102 VanDerWaalsContact O-N 3.11Å; A1102-M1104 HydrophobicContact CB-SD 4.09Å
1103	T	95.8	Very high	82.2	Confident	16 Å²	16	71.5 Å²	71.5	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.4	166.2	-55	0	0	0	0	107.6	T822 P824 M825 N888 R890	T822-T1103 PolarHBondContact O-OG1 2.88Å; P824-T1103 CarbonylContact C-O 3.57Å; P824-T1103 VanDerWaalsContact CA-O 3.31Å; P824-T1103 WeakPolarHBondContact CA-O 3.35Å; P824-T1103 HydrophobicContact CB-CG2 3.95Å; M825-T1103 PolarHBondContact N-O 2.9Å; N888-T1103 HydrophobicContact CB-CG2 4.07Å; R890-T1103 PolarHBondContact NH1-OG1 3.41Å
1104	M	95.6	Very high	79	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	157.9	177.9	-55.6	-55.5	-66.4	0	0	110.2	V804 M825 I827 L836 L840 I889 L891 A1102	V804-M1104 HydrophobicContact CG1-CE 4.12Å; M825-M1104 HydrophobicContact CB-CE 4.1Å; M825-M1104 HydrophobicContact CB-SD 4.07Å; M825-M1104 HydrophobicContact CG-CE 4.22Å; M825-M1104 CarbonylContact O-C 3.58Å; M825-M1104 WeakPolarHBondContact O-CA 3.25Å; M825-M1104 HydrophobicContact SD-CE 4.21Å; I827-M1104 HydrophobicContact CD1-CE 4.01Å; I827-M1104 HydrophobicContact CG1-CE 4.25Å; L836-M1104 HydrophobicContact CD2-CE 3.99Å; L840-M1104 HydrophobicContact CD1-CB 3.75Å; L840-M1104 HydrophobicContact CD1-CE 3.85Å; L840-M1104 HydrophobicContact CD1-CG 4.2Å; L840-M1104 HydrophobicContact CD2-CB 4.04Å; I889-M1104 HydrophobicContact CG2-CB 3.95Å; I889-M1104 PolarHBondContact N-O 2.73Å; I889-M1104 PolarHBondContact O-N 2.9Å; L891-M1104 HydrophobicContact CB-CG 3.67Å; L891-M1104 HydrophobicContact CD2-CG 3.97Å; L891-M1104 HydrophobicContact CD2-SD 4.26Å; L891-M1104 HydrophobicContact CG-CG 4.45Å; A1102-M1104 HydrophobicContact CB-SD 4.09Å
1105	L	94.3	Very high	75.8	Confident	0 Å²	0	88.1 Å²	88.1	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.7	172.4	-71.8	172.1	0	0	0	109.3	K794 P824 M825 A826 W842 V883 A886 E887 N888	K794-L1105 HydrophobicContact CD-CD1 4.15Å; P824-L1105 HydrophobicContact CB-CD1 4.24Å; P824-L1105 HydrophobicContact CB-CD2 3.79Å; P824-L1105 HydrophobicContact CB-CG 3.83Å; M825-L1105 PolarHBondContact O-N 3.05Å; A826-L1105 HydrophobicContact CB-CB 4.02Å; A826-L1105 HydrophobicContact CB-CD1 3.8Å; A826-L1105 HydrophobicContact CB-CG 4.49Å; W842-L1105 HydrophobicContact CZ2-CB 4.03Å; W842-L1105 PolarHBondContact NE1-O 3.31Å; V883-L1105 HydrophobicContact CG1-CD1 3.95Å; A886-L1105 HydrophobicContact CB-CB 3.84Å; A886-L1105 HydrophobicContact CB-CD2 3.84Å; A886-L1105 HydrophobicContact CB-CG 4.31Å; E887-L1105 WeakPolarHBondContact O-CA 3.31Å; N888-L1105 WeakPolarHBondContact OD1-CD2 3.29Å
1106	K	91.9	Very high	72.6	Confident	41 Å²	41	99.2 Å²	99.2	18%	0.178	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.2	174.5	-175.1	176.9	-175.9	178.2	0	109.9	L840 A886 E887 I889 R1108	L840-K1106 HydrophobicContact CD2-CB 4.28Å; L840-K1106 WeakPolarHBondContact O-CA 2.93Å; A886-K1106 WeakPolarHBondContact CB-O 2.76Å; E887-K1106 PolarHBondContact N-O 2.75Å; E887-K1106 PolarHBondContact O-N 2.85Å; I889-K1106 HydrophobicContact CB-CB 4.42Å; I889-K1106 HydrophobicContact CD1-CD 3.71Å; I889-K1106 HydrophobicContact CG2-CB 4.03Å; K1106-R1108 PolarHBondContact O-N 3.11Å
1107	K	85.7	Confident	69.6	Low	43 Å²	43	104.4 Å²	104.4	19%	0.187	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-68.5	129.6	178.1	-179.3	165.4	169.1	168.3	0	110.6	L840 R841 W842 D882	L840-K1107 PolarHBondContact O-N 2.69Å; R841-K1107 HydrophobicContact CB-CB 4.16Å; R841-K1107 WeakPolarHBondContact O-CD 3.22Å; W842-K1107 HydrophobicContact CD2-CB 4.39Å; W842-K1107 HydrophobicContact CE3-CD 4.28Å; W842-K1107 HydrophobicContact CZ3-CD 4.44Å; D882-K1107 HydrophobicContact CB-CD 4.03Å; D882-K1107 HydrophobicContact CB-CG 4.36Å; D882-K1107 VanDerWaalsContact CG-NZ 3.32Å; D882-K1107 WeakPolarHBondContact OD1-CE 3.25Å; D882-K1107 IonicContact OD1-NZ 3.87Å; D882-K1107 VanDerWaalsContact OD2-CE 3.27Å; D882-K1107 WeakPolarHBondContact OD2-CE 3.47Å; D882-K1107 IonicContact OD2-NZ 3.45Å; D882-K1107 PolarHBondContact OD2-NZ 2.9Å
1108	R	81.1	Confident	66.5	Low	164 Å²	164	105.6 Å²	105.6	62%	0.619	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-63.7	141.3	178.9	-74.6	-175.8	167.2	-169.9	-3.5	111.3	E885 K1106 R1110	E885-R1108 WeakPolarHBondContact O-CD 3.4Å; E885-R1108 PolarHBondContact O-NE 2.96Å; K1106-R1108 PolarHBondContact O-N 3.11Å; R1108-R1110 PolarHBondContact O-N 3.08Å
1109	K	74.8	Confident	63.8	Low	153 Å²	153	112.3 Å²	112.3	67%	0.665	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-66.2	124.5	175	-166.1	174.7	-177.9	177.5	0	108.6	R1111	K1109-R1111 PolarHBondContact O-N 3.39Å
1110	R	65.7	Low	61.2	Low	98 Å²	98	113.1 Å²	113.1	37%	0.37	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.7	118.4	171.2	-70.8	-179	172.4	-172	-6.3	108.5	T854 I855 R1108 K1112	T854-R1110 PolarHBondContact O-NH1 3.31Å; I855-R1110 PolarHBondContact O-NH1 2.69Å; I855-R1110 PolarHBondContact O-NH2 2.83Å; R1108-R1110 PolarHBondContact O-N 3.08Å; R1110-K1112 PolarHBondContact O-N 2.92Å
1111	R	51.1	Low	58.4	Low	233 Å²	233	113.9 Å²	113.9	88%	0.879	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-61.1	120.4	159.3	-81.2	-178.9	147	155.2	-4.9	106.3	K1109 V1113	K1109-R1111 PolarHBondContact O-N 3.39Å; R1111-V1113 PolarHBondContact O-N 3.44Å
1112	K	39.1	Very low	55.5	Low	195 Å²	195	118.9 Å²	118.9	85%	0.848	57%	0.569	S	S	*	*			trans	-56.6	108.4	162.9	-89.6	-177.1	178.6	176.9	0	105.1	R1110 N1114	R1110-K1112 PolarHBondContact O-N 2.92Å; K1112-N1114 VanDerWaalsContact C-N 3.32Å; K1112-N1114 PolarHBondContact O-N 3.26Å
1113	V	34.6	Very low	52.1	Low	122 Å²	122	122.7 Å²	122.7	74%	0.739	61%	0.609	S	S	*	*			trans	-66.5	101	168.4	176.5	0	0	0	0	105.1	R1111 R1115	R1111-V1113 PolarHBondContact O-N 3.44Å; V1113-R1115 HydrophobicContact CG1-CG 4.41Å; V1113-R1115 PolarHBondContact O-N 2.79Å
1114	N	30.4	Very low	48.8	Very low	144 Å²	144	125.7 Å²	125.7	77%	0.77	64%	0.643	S	S	*	*			trans	-63.9	91.2	164.9	-89.6	2.1	0	0	0	106.5	K1112 R1116	K1112-N1114 VanDerWaalsContact C-N 3.32Å; K1112-N1114 PolarHBondContact O-N 3.26Å; N1114-R1116 PolarHBondContact O-N 3.2Å
1115	R	29.7	Very low	45.4	Very low	215 Å²	215	131 Å²	131	81%	0.811	68%	0.68	S	S	*	*			trans	-64.9	107.7	161.2	-87.3	-175.4	170.3	176.1	-3.5	105.7	V1113 H1117	V1113-R1115 HydrophobicContact CG1-CG 4.41Å; V1113-R1115 PolarHBondContact O-N 2.79Å; R1115-H1117 PolarHBondContact O-N 3.39Å; R1115-H1117 VanDerWaalsContact O-N 3.1Å
1116	R	29.6	Very low	42	Very low	232 Å²	232	136.2 Å²	136.2	88%	0.875	72%	0.716	S	S	*	*			trans	-49.7	118.4	161.2	-68.6	179.5	179.3	176.2	-1.4	106	N1114 T1118	N1114-R1116 PolarHBondContact O-N 3.2Å; R1116-T1118 PolarHBondContact O-N 3.34Å
1117	H	32.9	Very low	39	Very low	167 Å²	167	140.1 Å²	140.1	77%	0.773	75%	0.749	S	S	*	*			trans	-54.9	104.1	166.7	-98.5	-110.9	0	0	0	106.6	R1115 E1119	R1115-H1117 PolarHBondContact O-N 3.39Å; R1115-H1117 VanDerWaalsContact O-N 3.1Å; H1117-E1119 IonicContact ND1-OE1 2.82Å; H1117-E1119 PolarHBondContact O-N 2.99Å
1118	T	26.6	Very low	35.9	Very low	137 Å²	137	142.9 Å²	142.9	84%	0.84	77%	0.774	S	S	*	*			trans	-78.7	82.8	157	45.8	0	0	0	0	105.8	R1116	R1116-T1118 PolarHBondContact O-N 3.34Å
1119	E	29.2	Very low	33.3	Very low	152 Å²	152	142.1 Å²	142.1	71%	0.71	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.1	135.4	156.6	-76.4	-170.9	177.3	0	0	108.2	H1117 G1121	H1117-E1119 IonicContact ND1-OE1 2.82Å; H1117-E1119 PolarHBondContact O-N 2.99Å; E1119-G1121 PolarHBondContact O-N 3.12Å
1120	P	28.8	Very low	30.9	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.5	131.1	179.7	-7.4	23.9	0	0	0	109.2	L1122	P1120-L1122 PolarHBondContact O-N 3.41Å
1121	G	26.9	Very low	28.8	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-53.2	125.6	-178.3	0	0	0	0	0	113.2	E1119	E1119-G1121 PolarHBondContact O-N 3.12Å
1122	L	27	Very low	27.5	Very low	178 Å²	178	135.5 Å²	135.5	93%	0.932	80%	0.796	S	S	*	*			trans	-111.8	119.2	150.1	-82.4	162.1	0	0	0	106.5	P1120	P1120-L1122 PolarHBondContact O-N 3.41Å
1123	G	24	Very low	26.7	Very low	85 Å²	85	131.1 Å²	131.1	88%	0.876	79%	0.79	S	S	*	*			trans	-61.7	143.7	-169.9	0	0	0	0	0	113.8
1124	G	26.2	Very low	26.2	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	80%	0.797	S	S	*	*			trans	-142.4	112.8	165.3	0	0	0	0	0	107.4
1125	S	23.5	Very low	25.8	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	80%	0.798	S	S	*	*			trans	-66.7	154.5	-165.6	-49.3	0	0	0	0	115
1126	S	22.9	Very low	25.6	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	80%	0.8	S	S	*	*			trans	57.8	113.3	137.6	59.9	0	0	0	0	119.6
1127	S	29.1	Very low	25.3	Very low	123 Å²	123	128 Å²	128	86%	0.86	80%	0.799	S	S	*	*				-170.1	129.8	108.4	37.5	0	0	0	0	111.6
1128	S	21.7	Very low	24.8	Very low	102 Å²	102	123.6 Å²	123.6	71%	0.713	80%	0.799	S	S	*	*			trans	-64.5	145.8	170.5	46.2	0	0	0	0	113
1129	N	26.3	Very low	24.6	Very low	148 Å²	148	122.3 Å²	122.3	79%	0.791	80%	0.796	S	S	*	*				-171	110.4	126.1	-92.7	-14.4	0	0	0	112.1
1130	T	24	Very low	24.3	Very low	114 Å²	114	121.1 Å²	121.1	70%	0.699	80%	0.799	S	S	*	*				65.9	101.4	118.6	-41.4	0	0	0	0	119.9
1131	T	21.2	Very low	24.1	Very low	120 Å²	120	124.5 Å²	124.5	74%	0.736	80%	0.804	S	S	*	*				35.4	120.9	127.1	15.1	0	0	0	0	120.1
1132	S	24	Very low	24	Very low	110 Å²	110	127.7 Å²	127.7	77%	0.769	80%	0.802	S	S	*	*				165.9	132.3	101.4	-64.6	0	0	0	0	112.5
1133	S	22.4	Very low	24	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	79%	0.792	S	S	*	*			trans	-12.1	126.5	154.4	-11.7	0	0	0	0	118.2
1134	N	24.7	Very low	24	Very low	167 Å²	167	128.5 Å²	128.5	89%	0.893	79%	0.793	S	S	*	*				-172.5	132.5	110.9	-94.4	-22.3	0	0	0	112.1
1135	V	21.7	Very low	23.8	Very low	129 Å²	129	130.5 Å²	130.5	78%	0.782	79%	0.794	S	S	*	*			trans	-77.9	132.6	169.9	171.2	0	0	0	0	108
1136	I	25.2	Very low	23.9	Very low	166 Å²	166	130.4 Å²	130.4	85%	0.851	79%	0.793	S	S	*	*			trans	-168.3	129.5	135.8	-91.2	149.5	0	0	0	108.2
1137	H	23.3	Very low	24	Very low	186 Å²	186	129.8 Å²	129.8	86%	0.861	80%	0.795	S	S	*	*			trans	-52.7	138	173.3	-92.8	-100.8	0	0	0	113.2
1138	G	21.9	Very low	23.6	Very low	75 Å²	75	130.3 Å²	130.3	77%	0.773	79%	0.792	S	S	*	*			trans	145.1	61.9	163.6	0	0	0	0	0	113.7
1139	S	22.7	Very low	23.8	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	80%	0.799	S	S	*	*			trans	-110.8	99.4	169.9	57.3	0	0	0	0	109.5	E1141	S1139-E1141 PolarHBondContact O-N 3.16Å
1140	T	23.9	Very low	23.6	Very low	126 Å²	126	131 Å²	131	77%	0.773	80%	0.796	S	S	*	*			trans	-22.9	121.8	139	23.6	0	0	0	0	111.7	D1142	T1140-D1142 PolarHBondContact O-N 3.31Å; T1140-D1142 VanDerWaalsContact O-N 3.13Å
1141	E	24.2	Very low	23.7	Very low	193 Å²	193	130.4 Å²	130.4	90%	0.902	80%	0.803	S	S	*	*			trans	-67.7	103.2	170.1	-66.8	-176.1	151.9	0	0	108.6	S1139	S1139-E1141 PolarHBondContact O-N 3.16Å
1142	D	23.4	Very low	23.8	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	81%	0.81	S	S	*	*			trans	-67.6	133.4	168.3	-99.7	-34.2	0	0	0	110.2	T1140 L1144	T1140-D1142 PolarHBondContact O-N 3.31Å; T1140-D1142 VanDerWaalsContact O-N 3.13Å; D1142-L1144 PolarHBondContact O-N 3.01Å; D1142-L1144 VanDerWaalsContact O-N 3.17Å
1143	P	28	Very low	23.7	Very low	110 Å²	110	128.1 Å²	128.1	71%	0.714	80%	0.8	S	S	*	*			trans	-88.9	85	-170.6	35.2	-33.3	0	0	0	110.9
1144	L	23.9	Very low	23.9	Very low	170 Å²	170	129 Å²	129	89%	0.89	80%	0.804	S	S	*	*			trans	-141	60.9	170.3	-99	150.7	0	0	0	110.7	D1142	D1142-L1144 PolarHBondContact O-N 3.01Å; D1142-L1144 VanDerWaalsContact O-N 3.17Å
1145	S	22.8	Very low	23.8	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	80%	0.797	S	S	*	*	S	Bend	trans	-153.9	53.2	170.6	169.3	0	0	0	0	110.9
1146	S	24.8	Very low	23.8	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	80%	0.798	S	S	*	*			trans	-141.1	1.2	174	56.8	0	0	0	0	115.9
1147	A	23.9	Very low	23.9	Very low	96 Å²	96	124.3 Å²	124.3	79%	0.793	80%	0.796	S	S	*	*			trans	-108	55.2	-176.3	0	0	0	0	0	114.3
1148	V	22.7	Very low	23.9	Very low	133 Å²	133	124.5 Å²	124.5	81%	0.806	80%	0.797	S	S	*	*			trans	-149.5	76.4	160.7	-166.9	0	0	0	0	111
1149	F	24.5	Very low	23.8	Very low	194 Å²	194	126.5 Å²	126.5	85%	0.851	80%	0.799	S	S	*	*			trans	-128.8	73.4	157.3	-82.3	-74.3	0	0	0	108.7	A1151	F1149-A1151 PolarHBondContact O-N 3.22Å
1150	G	22.4	Very low	24.2	Very low	71 Å²	71	128 Å²	128	73%	0.732	80%	0.803	S	S	*	*			trans	-72.1	119.9	164.3	0	0	0	0	0	109.6	S1152	G1150-S1152 PolarHBondContact O-N 3.44Å
1151	A	26.6	Very low	24.3	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	81%	0.805	S	S	*	*			trans	-54.4	131.4	167.4	0	0	0	0	0	109.7	F1149 G1153	F1149-A1151 PolarHBondContact O-N 3.22Å; A1151-G1153 VanDerWaalsContact C-N 3.27Å; A1151-G1153 PolarHBondContact O-N 3.03Å
1152	S	23.3	Very low	24.2	Very low	127 Å²	127	125.1 Å²	125.1	89%	0.888	80%	0.798	S	S	*	*			trans	-67.2	89.3	170.2	-52.9	0	0	0	0	108.9	G1150	G1150-S1152 PolarHBondContact O-N 3.44Å
1153	G	22.7	Very low	24.4	Very low	55 Å²	55	126.8 Å²	126.8	57%	0.567	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.5	161.9	156.9	0	0	0	0	0	110.7	A1151	A1151-G1153 VanDerWaalsContact C-N 3.27Å; A1151-G1153 PolarHBondContact O-N 3.03Å
1154	P	25.3	Very low	24.3	Very low	123 Å²	123	129.2 Å²	129.2	80%	0.799	81%	0.813	S	S	*	*	S	Bend	trans	-59.9	156.2	-177.5	25.7	-32.1	0	0	0	111.9
1155	P	22.5	Very low	24.2	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.6	147	-167.5	25.6	-33.8	0	0	0	112.5
1156	P	22.2	Very low	24.4	Very low	123 Å²	123	124.2 Å²	124.2	80%	0.799	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.6	-172.8	27.3	-32.7	0	0	0	111.5
1157	P	26.2	Very low	24.6	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.4	144.4	175.9	29.9	-30.5	0	0	0	111.7
1158	E	23.6	Very low	24.8	Very low	190 Å²	190	126.8 Å²	126.8	89%	0.888	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-57.8	144.3	-179.9	-70.1	175.8	155.1	0	0	112.8	V1160	E1158-V1160 PolarHBondContact O-N 3.24Å
1159	S	21.4	Very low	25.2	Very low	117 Å²	117	126.4 Å²	126.4	82%	0.818	79%	0.793	S	S	*	*			trans	-49.7	115.6	-176.4	52.6	0	0	0	0	114.4
1160	V	29.5	Very low	25.7	Very low	141 Å²	141	122.3 Å²	122.3	86%	0.855	78%	0.784	S	S	*	*			trans	-127.5	133.6	154.2	-174.8	0	0	0	0	108	E1158	E1158-V1160 PolarHBondContact O-N 3.24Å
1161	N	25.7	Very low	26.2	Very low	149 Å²	149	123 Å²	123	80%	0.797	77%	0.774	S	S	*	*			trans	-54	149.4	-163	-71	-39.8	0	0	0	116.6
1162	S	23.4	Very low	26.8	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	76%	0.762	S	S	*	*			trans	-18.7	125.3	166.5	61.7	0	0	0	0	117.2
1163	L	27.5	Very low	27.6	Very low	181 Å²	181	121.8 Å²	121.8	95%	0.948	75%	0.746	S	S	*	*			trans	-143.8	137.2	142.4	-104.4	137	0	0	0	109.5
1164	D	25.5	Very low	28.4	Very low	162 Å²	162	125.9 Å²	125.9	87%	0.866	75%	0.749	S	S	*	*			trans	-68.5	151.1	-158.4	-129.8	-26	0	0	0	114.2
1165	C	22.9	Very low	29.2	Very low	130 Å²	130	124.8 Å²	124.8	88%	0.878	73%	0.733	S	S	*	*			trans	-81.3	119.9	-173.1	-167.8	0	0	0	0	111.1
1166	G	26.5	Very low	30.2	Very low	57 Å²	57	124.4 Å²	124.4	59%	0.588	72%	0.724	S	S	*	*			trans	-153.8	96.3	173.7	0	0	0	0	0	112.8	T1168	G1166-T1168 PolarHBondContact O-N 3.31Å; G1166-T1168 PolarHBondContact O-OG1 2.82Å
1167	N	28.2	Very low	31	Very low	163 Å²	163	124.2 Å²	124.2	87%	0.872	71%	0.712	S	S	*	*			trans	16.3	94.2	159.2	-66.7	-14.2	0	0	0	118
1168	T	27.5	Very low	32.1	Very low	96 Å²	96	123.3 Å²	123.3	59%	0.589	70%	0.7	S	S	*	*			trans	-153.2	76.8	162.6	7	0	0	0	0	112.1	G1166 T1170 T1171	G1166-T1168 PolarHBondContact O-N 3.31Å; G1166-T1168 PolarHBondContact O-OG1 2.82Å; T1168-T1170 PolarHBondContact O-N 3.18Å; T1168-T1171 WeakPolarHBondContact CB-OG1 3.43Å; T1168-T1171 WeakPolarHBondContact CG2-OG1 3.3Å
1169	T	33	Very low	33.2	Very low	125 Å²	125	117.9 Å²	117.9	77%	0.767	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-9.1	173.1	1.6	0	0	0	0	113.6	T1172	T1169-T1172 PolarHBondContact O-OG1 3.47Å
1170	T	34.7	Very low	34.2	Very low	109 Å²	109	115.8 Å²	115.8	67%	0.669	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-19.4	-178.6	-27.3	0	0	0	0	113.1	T1168	T1168-T1170 PolarHBondContact O-N 3.18Å
1171	T	32.2	Very low	34.9	Very low	84 Å²	84	111.2 Å²	111.2	52%	0.515	63%	0.633	S	S	.	*	H	α-helix	trans	-82.8	-27.3	-174.3	-36.7	0	0	0	0	112.2	T1168 I1173 Q1175	T1168-T1171 WeakPolarHBondContact CB-OG1 3.43Å; T1168-T1171 WeakPolarHBondContact CG2-OG1 3.3Å; T1171-I1173 PolarHBondContact O-N 3.43Å; T1171-Q1175 PolarHBondContact O-N 3Å
1172	T	39.8	Very low	35.7	Very low	93 Å²	93	110.9 Å²	110.9	57%	0.571	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-30	179.7	28.9	0	0	0	0	113.8	T1169 L1176	T1169-T1172 PolarHBondContact O-OG1 3.47Å; T1172-L1176 PolarHBondContact O-N 3.43Å; T1172-L1176 VanDerWaalsContact O-N 3.15Å
1173	I	38.9	Very low	36.6	Very low	110 Å²	110	109.6 Å²	109.6	56%	0.564	61%	0.612	S	S	*	*	H	α-helix	trans	-72.2	-44.9	178.1	-63.4	176.7	0	0	0	110.8	T1171 Q1175 L1176 E1177	T1171-I1173 PolarHBondContact O-N 3.43Å; I1173-Q1175 VanDerWaalsContact C-N 3.3Å; I1173-Q1175 PolarHBondContact O-N 2.95Å; I1173-L1176 WeakPolarHBondContact O-CB 3.45Å; I1173-L1176 PolarHBondContact O-N 3.14Å; I1173-E1177 WeakPolarHBondContact O-CG 3.5Å; I1173-E1177 PolarHBondContact O-N 3.21Å
1174	K	40.8	Very low	37.1	Very low	142 Å²	142	104.8 Å²	104.8	62%	0.617	59%	0.587	S	S	*	*	H	α-helix	trans	-64.6	-34.6	177.1	-74.7	-173.1	175.4	-177.5	0	112.7	E1177 L1178	K1174-E1177 PolarHBondContact O-N 2.91Å; K1174-L1178 WeakPolarHBondContact O-CG 3.34Å; K1174-L1178 PolarHBondContact O-N 2.9Å
1175	Q	41.5	Very low	37.9	Very low	99 Å²	99	102.1 Å²	102.1	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-68.1	-39.3	175.5	-167.5	59.7	47	0	0	111.3	T1171 I1173 L1178 D1179	T1171-Q1175 PolarHBondContact O-N 3Å; I1173-Q1175 VanDerWaalsContact C-N 3.3Å; I1173-Q1175 PolarHBondContact O-N 2.95Å; Q1175-L1178 PolarHBondContact O-N 3.09Å; Q1175-D1179 PolarHBondContact NE2-OD1 2.97Å; Q1175-D1179 WeakPolarHBondContact O-CB 3.5Å; Q1175-D1179 PolarHBondContact O-N 3.16Å
1176	L	42.9	Very low	38.5	Very low	107 Å²	107	101.8 Å²	101.8	56%	0.56	56%	0.558	S	S	*	*	H	α-helix	trans	-64.5	-40.1	175	-143.1	93.8	0	0	0	112	T1172 I1173 D1179 I1180	T1172-L1176 PolarHBondContact O-N 3.43Å; T1172-L1176 VanDerWaalsContact O-N 3.15Å; I1173-L1176 WeakPolarHBondContact O-CB 3.45Å; I1173-L1176 PolarHBondContact O-N 3.14Å; L1176-D1179 PolarHBondContact O-N 3.37Å; L1176-I1180 HydrophobicContact CD2-CD1 4.39Å; L1176-I1180 WeakPolarHBondContact O-CB 3.43Å; L1176-I1180 WeakPolarHBondContact O-CD1 3.42Å; L1176-I1180 VanDerWaalsContact O-CG1 3.24Å; L1176-I1180 WeakPolarHBondContact O-CG1 3.5Å; L1176-I1180 PolarHBondContact O-N 3.48Å
1177	E	40.2	Very low	39.1	Very low	119 Å²	119	103.8 Å²	103.8	56%	0.556	55%	0.552	S	S	*	*	H	α-helix	trans	-62.2	-41.1	173.7	-73	174.9	161.6	0	0	112	I1173 K1174 I1180 A1181	I1173-E1177 WeakPolarHBondContact O-CG 3.5Å; I1173-E1177 PolarHBondContact O-N 3.21Å; K1174-E1177 PolarHBondContact O-N 2.91Å; E1177-I1180 PolarHBondContact O-N 3.48Å; E1177-A1181 WeakPolarHBondContact O-CB 3.3Å; E1177-A1181 PolarHBondContact O-N 3.46Å
1178	L	47.6	Very low	39.5	Very low	106 Å²	106	104.4 Å²	104.4	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-68.6	-37.5	176.4	-74.3	169.5	0	0	0	112.7	K1174 Q1175 A1181 K1182	K1174-L1178 WeakPolarHBondContact O-CG 3.34Å; K1174-L1178 PolarHBondContact O-N 2.9Å; Q1175-L1178 PolarHBondContact O-N 3.09Å; L1178-A1181 PolarHBondContact O-N 3.09Å; L1178-K1182 PolarHBondContact O-N 3.46Å
1179	D	47.1	Very low	39.9	Very low	77 Å²	77	104.6 Å²	104.6	41%	0.412	54%	0.539	S	S	.	.	H	α-helix	trans	-70.2	-34.5	177.3	-67.3	-17.5	0	0	0	111.1	Q1175 L1176 K1182 V1183	Q1175-D1179 PolarHBondContact NE2-OD1 2.97Å; Q1175-D1179 WeakPolarHBondContact O-CB 3.5Å; Q1175-D1179 PolarHBondContact O-N 3.16Å; L1176-D1179 PolarHBondContact O-N 3.37Å; D1179-K1182 WeakPolarHBondContact O-CB 3.15Å; D1179-K1182 PolarHBondContact O-N 2.78Å; D1179-V1183 WeakPolarHBondContact O-CG2 3.49Å; D1179-V1183 PolarHBondContact O-N 3.25Å
1180	I	43.3	Very low	40	Very low	72 Å²	72	103.6 Å²	103.6	37%	0.369	53%	0.529	S	S	.	.	H	α-helix	trans	-70.3	-42	172.1	-68.1	165.7	0	0	0	111.2	L1176 E1177 K1182 V1183 D1184	L1176-I1180 HydrophobicContact CD2-CD1 4.39Å; L1176-I1180 WeakPolarHBondContact O-CB 3.43Å; L1176-I1180 WeakPolarHBondContact O-CD1 3.42Å; L1176-I1180 VanDerWaalsContact O-CG1 3.24Å; L1176-I1180 WeakPolarHBondContact O-CG1 3.5Å; L1176-I1180 PolarHBondContact O-N 3.48Å; E1177-I1180 PolarHBondContact O-N 3.48Å; I1180-K1182 PolarHBondContact O-N 3.17Å; I1180-V1183 PolarHBondContact O-N 3.2Å; I1180-D1184 PolarHBondContact O-N 3.03Å
1181	A	43.6	Very low	40	Very low	46 Å²	46	103.4 Å²	103.4	38%	0.38	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-30.8	174.8	0	0	0	0	0	112.1	E1177 L1178 L1185	E1177-A1181 WeakPolarHBondContact O-CB 3.3Å; E1177-A1181 PolarHBondContact O-N 3.46Å; L1178-A1181 PolarHBondContact O-N 3.09Å; A1181-L1185 WeakPolarHBondContact O-CB 3.25Å; A1181-L1185 PolarHBondContact O-N 3.34Å
1182	K	42	Very low	40	Very low	141 Å²	141	104.3 Å²	104.3	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-66.7	-43.7	170.3	-96.8	-178.1	176.4	178.1	0	112.7	L1178 D1179 I1180 L1185 E1186	L1178-K1182 PolarHBondContact O-N 3.46Å; D1179-K1182 WeakPolarHBondContact O-CB 3.15Å; D1179-K1182 PolarHBondContact O-N 2.78Å; I1180-K1182 PolarHBondContact O-N 3.17Å; K1182-L1185 PolarHBondContact O-N 3.22Å; K1182-E1186 WeakPolarHBondContact O-CG 3.49Å; K1182-E1186 PolarHBondContact O-N 3.04Å
1183	V	42.7	Very low	39.7	Very low	82 Å²	82	103.2 Å²	103.2	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-41.3	176.6	176.1	0	0	0	0	111	D1179 I1180 L1185 E1186 E1187	D1179-V1183 WeakPolarHBondContact O-CG2 3.49Å; D1179-V1183 PolarHBondContact O-N 3.25Å; I1180-V1183 PolarHBondContact O-N 3.2Å; V1183-L1185 VanDerWaalsContact C-N 3.32Å; V1183-L1185 PolarHBondContact O-N 3.01Å; V1183-E1186 PolarHBondContact O-N 3.5Å; V1183-E1187 PolarHBondContact O-N 2.7Å
1184	D	38	Very low	39.3	Very low	80 Å²	80	106.3 Å²	106.3	43%	0.428	54%	0.535	S	S	.	.	H	α-helix	trans	-66.2	-33.2	174.9	-78	-23.1	0	0	0	112.1	I1180 R1188	I1180-D1184 PolarHBondContact O-N 3.03Å; D1184-R1188 WeakPolarHBondContact O-CB 3.48Å; D1184-R1188 PolarHBondContact O-N 2.99Å
1185	L	42.3	Very low	38.8	Very low	106 Å²	106	105.1 Å²	105.1	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-70	-39.3	172.1	-124.8	94.8	0	0	0	111.9	A1181 K1182 V1183 R1188 N1189	A1181-L1185 WeakPolarHBondContact O-CB 3.25Å; A1181-L1185 PolarHBondContact O-N 3.34Å; K1182-L1185 PolarHBondContact O-N 3.22Å; V1183-L1185 VanDerWaalsContact C-N 3.32Å; V1183-L1185 PolarHBondContact O-N 3.01Å; L1185-R1188 PolarHBondContact O-N 3.13Å; L1185-N1189 VanDerWaalsContact O-CB 3.28Å; L1185-N1189 WeakPolarHBondContact O-CB 3.44Å; L1185-N1189 PolarHBondContact O-N 3.27Å; L1185-N1189 PolarHBondContact O-ND2 3.32Å
1186	E	35.9	Very low	38.1	Very low	124 Å²	124	104.4 Å²	104.4	58%	0.579	55%	0.55	S	S	*	.	H	α-helix	trans	-67.2	-39.7	175.7	-75.7	-177.8	177	0	0	111.4	K1182 V1183 N1189 L1190	K1182-E1186 WeakPolarHBondContact O-CG 3.49Å; K1182-E1186 PolarHBondContact O-N 3.04Å; V1183-E1186 PolarHBondContact O-N 3.5Å; E1186-N1189 PolarHBondContact O-N 2.88Å; E1186-L1190 VanDerWaalsContact O-CB 3.31Å; E1186-L1190 WeakPolarHBondContact O-CB 3.43Å; E1186-L1190 WeakPolarHBondContact O-CD1 3.42Å; E1186-L1190 WeakPolarHBondContact O-CG 3.13Å; E1186-L1190 PolarHBondContact O-N 2.72Å
1187	E	37.9	Very low	37.3	Very low	98 Å²	98	107.5 Å²	107.5	46%	0.458	57%	0.566	S	S	.	*	H	α-helix	trans	-67.1	-39	173.1	-102.1	-170.8	172	0	0	112.3	V1183 L1190 N1191	V1183-E1187 PolarHBondContact O-N 2.7Å; E1187-L1190 PolarHBondContact O-N 3Å; E1187-N1191 WeakPolarHBondContact O-CB 3.38Å; E1187-N1191 PolarHBondContact O-N 3.05Å; E1187-N1191 PolarHBondContact O-ND2 2.95Å; E1187-N1191 VanDerWaalsContact O-ND2 3.11Å
1188	R	37.6	Very low	36.7	Very low	177 Å²	177	108.9 Å²	108.9	67%	0.668	58%	0.578	S	S	*	*	H	α-helix	trans	-66.5	-43.7	172.6	-82	-174	-170.9	161.4	5.5	112.4	D1184 L1185 L1190 N1191 D1192	D1184-R1188 WeakPolarHBondContact O-CB 3.48Å; D1184-R1188 PolarHBondContact O-N 2.99Å; L1185-R1188 PolarHBondContact O-N 3.13Å; R1188-L1190 VanDerWaalsContact C-N 3.28Å; R1188-L1190 PolarHBondContact O-N 3.22Å; R1188-N1191 PolarHBondContact O-N 2.77Å; R1188-N1191 VanDerWaalsContact O-N 3.15Å; R1188-D1192 WeakPolarHBondContact O-CB 3.24Å; R1188-D1192 PolarHBondContact O-N 3.19Å
1189	N	35.4	Very low	35.7	Very low	99 Å²	99	109.5 Å²	109.5	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-64.6	-33.6	176.2	-74	-26.7	0	0	0	111.9	L1185 E1186 A1193	L1185-N1189 VanDerWaalsContact O-CB 3.28Å; L1185-N1189 WeakPolarHBondContact O-CB 3.44Å; L1185-N1189 PolarHBondContact O-N 3.27Å; L1185-N1189 PolarHBondContact O-ND2 3.32Å; E1186-N1189 PolarHBondContact O-N 2.88Å; N1189-A1193 VanDerWaalsContact O-CB 3.23Å; N1189-A1193 WeakPolarHBondContact O-CB 3.49Å; N1189-A1193 PolarHBondContact O-N 2.73Å
1190	L	36.1	Very low	34.8	Very low	105 Å²	105	112.3 Å²	112.3	55%	0.55	61%	0.611	S	S	.	*	H	α-helix	trans	-67.8	-42.5	171.4	-84.5	158	0	0	0	111.6	E1186 E1187 R1188 A1193 F1194	E1186-L1190 VanDerWaalsContact O-CB 3.31Å; E1186-L1190 WeakPolarHBondContact O-CB 3.43Å; E1186-L1190 WeakPolarHBondContact O-CD1 3.42Å; E1186-L1190 WeakPolarHBondContact O-CG 3.13Å; E1186-L1190 PolarHBondContact O-N 2.72Å; E1187-L1190 PolarHBondContact O-N 3Å; R1188-L1190 VanDerWaalsContact C-N 3.28Å; R1188-L1190 PolarHBondContact O-N 3.22Å; L1190-A1193 PolarHBondContact O-N 3.39Å; L1190-F1194 VanDerWaalsContact O-CD2 3.29Å; L1190-F1194 WeakPolarHBondContact O-CD2 3.42Å; L1190-F1194 PolarHBondContact O-N 2.86Å
1191	N	35.1	Very low	33.9	Very low	104 Å²	104	118.4 Å²	118.4	56%	0.556	64%	0.635	S	S	*	*	H	α-helix	trans	-69.6	-35.5	178.2	-72.1	-30.8	0	0	0	112.7	E1187 R1188 F1194	E1187-N1191 WeakPolarHBondContact O-CB 3.38Å; E1187-N1191 PolarHBondContact O-N 3.05Å; E1187-N1191 PolarHBondContact O-ND2 2.95Å; E1187-N1191 VanDerWaalsContact O-ND2 3.11Å; R1188-N1191 PolarHBondContact O-N 2.77Å; R1188-N1191 VanDerWaalsContact O-N 3.15Å; N1191-F1194 PolarHBondContact O-N 2.9Å
1192	D	31.9	Very low	33.2	Very low	104 Å²	104	122.6 Å²	122.6	56%	0.556	66%	0.655	S	S	*	*	H	α-helix	trans	-74	-31.1	175.9	-72.8	-19.8	0	0	0	112	R1188 F1194 C1195 S1196	R1188-D1192 WeakPolarHBondContact O-CB 3.24Å; R1188-D1192 PolarHBondContact O-N 3.19Å; D1192-F1194 PolarHBondContact O-N 3Å; D1192-C1195 PolarHBondContact O-N 3.05Å; D1192-S1196 PolarHBondContact O-OG 2.82Å
1193	A	32.1	Very low	32.4	Very low	69 Å²	69	123.8 Å²	123.8	57%	0.57	67%	0.669	S	S	*	*	H	α-helix	trans	-67.1	-22.4	171.5	0	0	0	0	0	113	N1189 L1190 C1195	N1189-A1193 VanDerWaalsContact O-CB 3.23Å; N1189-A1193 WeakPolarHBondContact O-CB 3.49Å; N1189-A1193 PolarHBondContact O-N 2.73Å; L1190-A1193 PolarHBondContact O-N 3.39Å; A1193-C1195 VanDerWaalsContact C-N 3.33Å
1194	F	30.5	Very low	31.6	Very low	176 Å²	176	127.7 Å²	127.7	77%	0.772	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-7.1	175.4	-91.6	-76.2	0	0	0	114.2	L1190 N1191 D1192	L1190-F1194 VanDerWaalsContact O-CD2 3.29Å; L1190-F1194 WeakPolarHBondContact O-CD2 3.42Å; L1190-F1194 PolarHBondContact O-N 2.86Å; N1191-F1194 PolarHBondContact O-N 2.9Å; D1192-F1194 PolarHBondContact O-N 3Å
1195	C	30.5	Very low	30.9	Very low	117 Å²	117	129.1 Å²	129.1	79%	0.791	70%	0.703	S	S	*	*	S	Bend	trans	-112	7.2	178.8	-70	0	0	0	0	115.1	D1192 A1193	D1192-C1195 PolarHBondContact O-N 3.05Å; A1193-C1195 VanDerWaalsContact C-N 3.33Å
1196	S	27.8	Very low	30	Very low	84 Å²	84	134.8 Å²	134.8	59%	0.587	72%	0.719	S	S	*	*			trans	-128.1	108	-179.4	-46.3	0	0	0	0	111.1	D1192 D1198	D1192-S1196 PolarHBondContact O-OG 2.82Å; S1196-D1198 VanDerWaalsContact C-N 3.27Å; S1196-D1198 PolarHBondContact O-N 3.2Å
1197	N	26.5	Very low	29.5	Very low	171 Å²	171	134.4 Å²	134.4	91%	0.914	73%	0.727	S	S	*	*			trans	-68.2	84.2	167.8	-87.3	-29.1	0	0	0	109.3
1198	D	26.4	Very low	28.7	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	75%	0.748	S	S	*	*			trans	-151.2	133.5	156.8	-97.7	-32.9	0	0	0	111.8	S1196 V1200	S1196-D1198 VanDerWaalsContact C-N 3.27Å; S1196-D1198 PolarHBondContact O-N 3.2Å; D1198-V1200 PolarHBondContact O-N 3.22Å
1199	S	27.5	Very low	28.2	Very low	119 Å²	119	141 Å²	141	83%	0.832	76%	0.76	S	S	*	*			trans	-65	113.8	-174.9	53	0	0	0	0	112.3
1200	V	27.9	Very low	27.7	Very low	136 Å²	136	147.5 Å²	147.5	82%	0.824	78%	0.778	S	S	*	*			trans	-127.9	136.8	167.6	-177	0	0	0	0	111.4	D1198	D1198-V1200 PolarHBondContact O-N 3.22Å
1201	K	25.2	Very low	27.2	Very low	201 Å²	201	153.7 Å²	153.7	87%	0.874	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.1	-166.9	-65.8	165.4	176.5	171.9	0	112
1202	T	28.3	Very low	26.8	Very low	133 Å²	133	153.3 Å²	153.3	82%	0.816	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.8	116.9	172.2	50.5	0	0	0	0	110.5
1203	D	25.7	Very low	26.5	Very low	167 Å²	167	152.4 Å²	152.4	89%	0.893	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.4	128.7	165.9	-105.8	-26.2	0	0	0	110.5
1204	D	24.4	Very low	26	Very low	163 Å²	163	158.5 Å²	158.5	87%	0.872	82%	0.821	S	S	*	*			trans	-78.2	110.7	178.8	-82.1	-40.9	0	0	0	110.6
1205	S	23.9	Very low	25.6	Very low	110 Å²	110	156 Å²	156	77%	0.769	82%	0.823	S	S	*	*			trans	-145.8	86	160.7	69.1	0	0	0	0	112.4
1206	Y	23.6	Very low	25.2	Very low	226 Å²	226	155 Å²	155	89%	0.886	81%	0.813	S	S	*	*	S	Bend	trans	-123.2	145	153.6	-109.2	-90.6	0	0	0	109.5
1207	P	24.7	Very low	25.1	Very low	116 Å²	116	161.6 Å²	161.6	75%	0.753	83%	0.826	S	S	*	*			trans	-69.5	135.2	-164.5	-16.9	31.5	0	0	0	112.9	L1209	P1207-L1209 PolarHBondContact O-N 2.86Å
1208	R	22.1	Very low	25	Very low	242 Å²	242	157.8 Å²	157.8	91%	0.913	82%	0.818	S	S	*	*			trans	-66.5	109.8	179.4	-65.3	175.7	176.5	177.3	-0.1	111.2
1209	L	27.5	Very low	25	Very low	172 Å²	172	160.9 Å²	160.9	90%	0.901	83%	0.825	S	S	*	*			trans	-119.6	99.3	153.6	-75	171	0	0	0	108.9	P1207	P1207-L1209 PolarHBondContact O-N 2.86Å
1210	Y	23.7	Very low	25	Very low	234 Å²	234	166.7 Å²	166.7	92%	0.918	83%	0.828	S	S	*	*			trans	52	118.5	163.1	-138.9	-104	0	0	0	120.3
1211	R	25	Very low	24.9	Very low	235 Å²	235	172.1 Å²	172.1	89%	0.887	83%	0.834	S	S	*	*			trans	-88.1	163.1	-176.9	-102.7	-167.4	-176.4	179	3.2	113.5
1212	P	28.5	Very low	25	Very low	97 Å²	97	165.8 Å²	165.8	63%	0.63	83%	0.826	S	S	*	*			trans	-107.7	163.4	-156.8	40	-33.3	0	0	0	115.2	R1214	P1212-R1214 HydrophobicContact CG-CG 4.41Å
1213	G	25.4	Very low	24.9	Very low	85 Å²	85	171.1 Å²	171.1	88%	0.876	83%	0.831	S	S	*	*			trans	-82.6	110.3	153.8	0	0	0	0	0	110.7
1214	R	21.2	Very low	24.9	Very low	196 Å²	196	175 Å²	175	74%	0.74	83%	0.833	S	S	*	*			trans	-82.8	155.3	172.1	-76.3	-178.2	171.1	-158.8	2.8	110.7	P1212 V1216	P1212-R1214 HydrophobicContact CG-CG 4.41Å; R1214-V1216 HydrophobicContact CB-CG2 4.46Å
1215	P	22.3	Very low	25	Very low	124 Å²	124	174.8 Å²	174.8	81%	0.805	83%	0.831	S	S	*	*				-124.3	148.3	103.6	5.7	14.3	0	0	0	113.4
1216	V	21.9	Very low	25.1	Very low	96 Å²	96	175.2 Å²	175.2	58%	0.582	83%	0.831	S	S	*	*			trans	-88.1	124.4	-173.9	176.4	0	0	0	0	110	R1214	R1214-V1216 HydrophobicContact CB-CG2 4.46Å
1217	Y	25.4	Very low	25.1	Very low	222 Å²	222	173.5 Å²	173.5	87%	0.871	83%	0.828	S	S	*	*			trans	-119.3	129.3	154.6	-79.6	-77.7	0	0	0	109.9	K1219	Y1217-K1219 PolarHBondContact O-N 3.49Å
1218	A	25.6	Very low	25	Very low	91 Å²	91	173.4 Å²	173.4	75%	0.752	83%	0.827	S	S	*	*			trans	-60.8	123.4	-169.4	0	0	0	0	0	112.8	R1220	A1218-R1220 PolarHBondContact O-N 3.03Å; A1218-R1220 VanDerWaalsContact O-N 3.13Å
1219	K	26.1	Very low	25.1	Very low	214 Å²	214	167.9 Å²	167.9	93%	0.93	82%	0.821	S	S	*	*			trans	-67.9	103.4	169.3	-76.1	179.9	176.1	177	0	109.6	Y1217	Y1217-K1219 PolarHBondContact O-N 3.49Å
1220	R	26	Very low	24.9	Very low	240 Å²	240	167.5 Å²	167.5	91%	0.906	82%	0.818	S	S	*	*			trans	-70.5	131.5	163.6	-80.3	-175.8	-179.1	-171.9	0.1	109.3	A1218 G1222	A1218-R1220 PolarHBondContact O-N 3.03Å; A1218-R1220 VanDerWaalsContact O-N 3.13Å; R1220-G1222 PolarHBondContact O-N 3.18Å
1221	R	26.1	Very low	24.9	Very low	251 Å²	251	162 Å²	162	95%	0.947	81%	0.809	S	S	*	*			trans	-63.6	89.8	174.7	-74.8	179.7	172.2	-173.9	-3.1	110.1
1222	G	27.7	Very low	24.7	Very low	67 Å²	67	154.8 Å²	154.8	69%	0.691	80%	0.799	S	S	*	*			trans	-70.6	124.1	162.2	0	0	0	0	0	109.3	R1220 R1224	R1220-G1222 PolarHBondContact O-N 3.18Å; G1222-R1224 PolarHBondContact O-N 2.77Å
1223	R	25.6	Very low	24.5	Very low	246 Å²	246	155.8 Å²	155.8	93%	0.928	80%	0.803	S	S	*	*			trans	-54.3	119.2	173.4	-68	179.9	-178.7	-177.5	-0	108.3	L1225	R1223-L1225 PolarHBondContact O-N 3.29Å; R1223-L1225 VanDerWaalsContact O-N 3.17Å
1224	R	25.9	Very low	24.3	Very low	249 Å²	249	157.2 Å²	157.2	94%	0.94	80%	0.797	S	S	*	*			trans	-66.1	112.4	169.2	-76.6	-176.8	177.1	-178.5	-0.2	107.3	G1222	G1222-R1224 PolarHBondContact O-N 2.77Å
1225	L	27.2	Very low	24.5	Very low	158 Å²	158	151.2 Å²	151.2	83%	0.827	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60.9	137.4	161.6	-77.5	158.9	0	0	0	107.9	R1223 K1227	R1223-L1225 PolarHBondContact O-N 3.29Å; R1223-L1225 VanDerWaalsContact O-N 3.17Å; L1225-K1227 PolarHBondContact O-N 2.84Å
1226	P	25.2	Very low	24.6	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.9	129.9	174.6	-16.2	28.1	0	0	0	108.8
1227	K	23.5	Very low	24.8	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.7	137	167.5	-73.1	-178.4	175.4	-176.9	0	107.8	L1225 V1229	L1225-K1227 PolarHBondContact O-N 2.84Å; K1227-V1229 PolarHBondContact O-N 2.98Å; K1227-V1229 VanDerWaalsContact O-N 3.14Å
1228	P	24	Very low	24.7	Very low	114 Å²	114	140.9 Å²	140.9	74%	0.74	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-58	122.8	174.2	22.8	-30.3	0	0	0	108.6	L1230	P1228-L1230 PolarHBondContact O-N 2.78Å
1229	V	23.9	Very low	24.6	Very low	127 Å²	127	143.8 Å²	143.8	77%	0.77	75%	0.754	S	S	*	*			trans	-68.8	100.8	168.8	177.1	0	0	0	0	105.6	K1227 V1231	K1227-V1229 PolarHBondContact O-N 2.98Å; K1227-V1229 VanDerWaalsContact O-N 3.14Å; V1229-V1231 VanDerWaalsContact C-N 3.3Å; V1229-V1231 HydrophobicContact CG1-CG2 4.24Å; V1229-V1231 PolarHBondContact O-N 3.45Å
1230	L	23.6	Very low	24.5	Very low	163 Å²	163	137.8 Å²	137.8	85%	0.853	74%	0.735	S	S	*	*			trans	-65.8	97.8	164.8	-74.1	166.7	0	0	0	106.5	P1228 A1232	P1228-L1230 PolarHBondContact O-N 2.78Å; L1230-A1232 PolarHBondContact O-N 3.35Å
1231	V	22	Very low	24.5	Very low	119 Å²	119	129.8 Å²	129.8	72%	0.721	72%	0.716	S	S	*	*			trans	-67.5	102.5	164.7	-179.5	0	0	0	0	105.4	V1229 V1233	V1229-V1231 VanDerWaalsContact C-N 3.3Å; V1229-V1231 HydrophobicContact CG1-CG2 4.24Å; V1229-V1231 PolarHBondContact O-N 3.45Å; V1231-V1233 PolarHBondContact O-N 3.02Å
1232	A	22.7	Very low	24.3	Very low	83 Å²	83	129.3 Å²	129.3	69%	0.686	71%	0.714	S	S	*	*			trans	-60.9	111.5	169.4	0	0	0	0	0	107.3	L1230 P1234	L1230-A1232 PolarHBondContact O-N 3.35Å; A1232-P1234 VanDerWaalsContact O-CD 3.22Å; A1232-P1234 WeakPolarHBondContact O-CD 3.26Å
1233	V	22.4	Very low	24.3	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.715	70%	0.702	S	S	*	*			trans	-63.6	114.7	166.4	179.4	0	0	0	0	106.2	V1231 S1235	V1231-V1233 PolarHBondContact O-N 3.02Å; V1233-S1235 PolarHBondContact O-N 3.24Å; V1233-S1235 VanDerWaalsContact O-N 3.16Å
1234	P	22.9	Very low	24.4	Very low	115 Å²	115	122.8 Å²	122.8	75%	0.747	69%	0.693	S	S	*	*			trans	-60.4	122	178.9	-18.1	30.8	0	0	0	108.7	A1232	A1232-P1234 VanDerWaalsContact O-CD 3.22Å; A1232-P1234 WeakPolarHBondContact O-CD 3.26Å
1235	S	24.3	Very low	24.4	Very low	71 Å²	71	121.1 Å²	121.1	50%	0.497	69%	0.686	S	S	.	*			trans	-96	127.2	170.3	-29.7	0	0	0	0	108	K750 V1233	K750-S1235 WeakPolarHBondContact CE-OG 3.22Å; K750-S1235 VanDerWaalsContact NZ-CB 3.29Å; K750-S1235 PolarHBondContact NZ-OG 2.82Å; V1233-S1235 PolarHBondContact O-N 3.24Å; V1233-S1235 VanDerWaalsContact O-N 3.16Å
1236	A	25.7	Very low	24.5	Very low	81 Å²	81	120.8 Å²	120.8	67%	0.669	68%	0.681	S	S	*	*			trans	18.1	106.7	165.2	0	0	0	0	0	117.3
1237	P	24.1	Very low	24.6	Very low	78 Å²	78	122 Å²	122	51%	0.506	68%	0.679	S	S	.	*			trans	-59.4	146.2	141.9	-8.4	24.8	0	0	0	108.5	E1239	P1237-E1239 VanDerWaalsContact C-N 3.31Å; P1237-E1239 PolarHBondContact O-N 3.14Å
1238	S	24.6	Very low	24.7	Very low	65 Å²	65	119.9 Å²	119.9	46%	0.455	68%	0.676	S	S	.	*			trans	-57.4	104.1	151.7	43.4	0	0	0	0	106.5	T1240	S1238-T1240 PolarHBondContact O-N 3.17Å; S1238-T1240 PolarHBondContact O-OG1 2.89Å
1239	E	22.2	Very low	24.9	Very low	153 Å²	153	122.7 Å²	122.7	72%	0.715	68%	0.679	S	S	*	*			trans	-60.9	90.5	170.1	-79	170.8	-165.5	0	0	108	R721 P1237	R721-E1239 IonicContact NH2-OE1 3.16Å; R721-E1239 PolarHBondContact NH2-OE1 3.33Å; P1237-E1239 VanDerWaalsContact C-N 3.31Å; P1237-E1239 PolarHBondContact O-N 3.14Å
1240	T	24.4	Very low	25.1	Very low	88 Å²	88	123.5 Å²	123.5	54%	0.54	68%	0.679	S	S	.	*			trans	-128.7	113.5	163.6	37.2	0	0	0	0	108	S1238	S1238-T1240 PolarHBondContact O-N 3.17Å; S1238-T1240 PolarHBondContact O-OG1 2.89Å
1241	C	26.6	Very low	25.2	Very low	72 Å²	72	123.3 Å²	123.3	49%	0.486	68%	0.679	S	S	.	*			trans	77.6	85.4	160.7	-52.3	0	0	0	0	118.1	R927	R927-C1241 PolarHBondContact NH1-SG 3.36Å
1242	R	22.2	Very low	25.5	Very low	240 Å²	240	126.6 Å²	126.6	91%	0.906	69%	0.687	S	S	*	*				-87.5	129.5	129.4	-72.9	-171.6	-179.7	-174.4	-0.4	107.6
1243	S	26.3	Very low	25.8	Very low	65 Å²	65	132.2 Å²	132.2	46%	0.455	70%	0.696	S	S	.	*			trans	-75.7	143.1	173.1	91.4	0	0	0	0	109.3	R1245 E1246	S1243-R1245 PolarHBondContact O-N 3.01Å; S1243-R1245 PolarHBondContact OG-N 3.07Å; S1243-E1246 PolarHBondContact O-N 3.33Å
1244	P	28.3	Very low	26	Very low	112 Å²	112	133.4 Å²	133.4	73%	0.727	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-61.3	-8.9	176.8	-25	34.5	0	0	0	115.2
1245	R	27.2	Very low	26.2	Very low	214 Å²	214	136.6 Å²	136.6	81%	0.808	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-80.1	-18	-177.6	-100.7	-177.7	168.9	160.4	-2.6	114.8	S1243 I1247	S1243-R1245 PolarHBondContact O-N 3.01Å; S1243-R1245 PolarHBondContact OG-N 3.07Å; R1245-I1247 VanDerWaalsContact C-N 3.32Å
1246	E	27.6	Very low	26.4	Very low	151 Å²	151	138.8 Å²	138.8	71%	0.706	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-88.4	2.3	178.4	-73.7	-177.2	165.7	0	0	113.9	S1243	S1243-E1246 PolarHBondContact O-N 3.33Å
1247	I	28	Very low	26.5	Very low	144 Å²	144	141 Å²	141	74%	0.738	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-86.1	-13.8	174	-62.3	175.4	0	0	0	111.6	R1245	R1245-I1247 VanDerWaalsContact C-N 3.32Å
1248	L	26.7	Very low	26.5	Very low	145 Å²	145	141.6 Å²	141.6	76%	0.759	74%	0.736	S	S	*	*	S	Bend	trans	-109.2	4.7	-170.8	-80.2	165.2	0	0	0	116.1
1249	E	27.3	Very low	26.4	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	75%	0.754	S	S	*	*	S	Bend	trans	-124.4	12.7	-178.2	-74.9	-169.1	169.8	0	0	116
1250	N	27.5	Very low	26.6	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	77%	0.765	S	S	*	*			trans	-122.7	58.7	169.9	-72.4	-39.2	0	0	0	111.7	E1252	N1250-E1252 PolarHBondContact O-N 3.31Å
1251	D	26.5	Very low	26.6	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	78%	0.778	S	S	*	*			trans	-82.1	69.5	157.3	-83.9	-26	0	0	0	109.1
1252	E	28.5	Very low	26.4	Very low	188 Å²	188	150 Å²	150	88%	0.879	79%	0.788	S	S	*	*			trans	-142.5	77.4	157	-101.3	-176.5	178.5	0	0	107.2	N1250 D1254	N1250-E1252 PolarHBondContact O-N 3.31Å; E1252-D1254 PolarHBondContact O-N 3.43Å; E1252-D1254 VanDerWaalsContact O-N 3.08Å
1253	F	28.2	Very low	26.7	Very low	200 Å²	200	148.7 Å²	148.7	88%	0.877	79%	0.789	S	S	*	*			trans	-69.5	94.8	167.5	-115.7	-93.3	0	0	0	108	E1255	F1253-E1255 PolarHBondContact O-N 3.49Å
1254	D	27.7	Very low	26.5	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	80%	0.8	S	S	*	*			trans	-77.1	108.8	166.4	-131.3	-11.3	0	0	0	107.8	E1252 T1256	E1252-D1254 PolarHBondContact O-N 3.43Å; E1252-D1254 VanDerWaalsContact O-N 3.08Å; D1254-T1256 PolarHBondContact O-N 3.2Å
1255	E	27.4	Very low	26.3	Very low	182 Å²	182	151 Å²	151	85%	0.85	80%	0.802	S	S	*	*	S	Bend	trans	-65	62.5	176.9	-82	-169.9	138.8	0	0	111.9	F1253	F1253-E1255 PolarHBondContact O-N 3.49Å
1256	T	27.6	Very low	26.3	Very low	117 Å²	117	152.9 Å²	152.9	72%	0.718	81%	0.809	S	S	*	*			trans	-152.2	56.7	167.3	47.4	0	0	0	0	112.3	D1254	D1254-T1256 PolarHBondContact O-N 3.2Å
1257	S	27.3	Very low	26	Very low	128 Å²	128	153.3 Å²	153.3	90%	0.895	82%	0.815	S	S	*	*			trans	-148.6	40.8	166.2	-72.9	0	0	0	0	112.7
1258	A	24	Very low	25.8	Very low	90 Å²	90	156.1 Å²	156.1	74%	0.744	82%	0.822	S	S	*	*			trans	-124.7	89.9	166.4	0	0	0	0	0	108.4
1259	L	23.2	Very low	25.6	Very low	161 Å²	161	157.9 Å²	157.9	84%	0.843	83%	0.826	S	S	*	*			trans	157.7	108	153.6	-89.8	150.4	0	0	0	109.3
1260	C	25.3	Very low	25.6	Very low	137 Å²	137	156.2 Å²	156.2	93%	0.926	83%	0.828	S	S	*	*			trans	-165.4	78.7	136.6	-97.6	0	0	0	0	109.2
1261	L	25	Very low	25.6	Very low	156 Å²	156	154.4 Å²	154.4	82%	0.817	82%	0.824	S	S	*	*			trans	-62.3	138.2	155.3	-83.1	158	0	0	0	109.7
1262	S	23.5	Very low	25.3	Very low	100 Å²	100	152.5 Å²	152.5	70%	0.699	82%	0.818	S	S	*	*			trans	1.7	123.3	151.2	55.3	0	0	0	0	117.7
1263	K	27	Very low	25	Very low	213 Å²	213	150.5 Å²	150.5	93%	0.926	81%	0.814	S	S	*	*			trans	-161.1	120.7	131.4	-107.1	160.4	-166.7	178.3	0	113
1264	S	23.3	Very low	24.8	Very low	98 Å²	98	149.8 Å²	149.8	69%	0.685	82%	0.815	S	S	*	*			trans	-53.8	148.2	163.4	177.1	0	0	0	0	113
1265	T	24	Very low	24.5	Very low	126 Å²	126	151.5 Å²	151.5	77%	0.773	82%	0.818	S	S	*	*			trans	52.5	112.5	151.4	45.4	0	0	0	0	120.1
1266	R	25.7	Very low	24.5	Very low	254 Å²	254	147.8 Å²	147.8	96%	0.958	81%	0.812	S	S	*	*			trans	-157.2	126	130.1	-112.8	175.3	-170.2	-152.5	3.1	112.8
1267	L	21.9	Very low	24.3	Very low	160 Å²	160	148.8 Å²	148.8	84%	0.838	82%	0.818	S	S	*	*			trans	-60.7	144.4	166.5	-65	116.7	0	0	0	111.5
1268	K	24.5	Very low	24.7	Very low	203 Å²	203	148 Å²	148	88%	0.883	81%	0.81	S	S	*	*				170.2	141.6	107.2	-93.2	177.6	179.3	-179.5	0	111.8
1269	H	22.4	Very low	24.7	Very low	182 Å²	182	151.2 Å²	151.2	84%	0.843	82%	0.815	S	S	*	*			trans	-41.4	162.6	165.5	-79.3	-87.2	0	0	0	116.3
1270	V	26.2	Very low	24.9	Very low	138 Å²	138	153 Å²	153	84%	0.836	82%	0.819	S	S	*	*			trans	129.8	137.3	141.7	174.4	0	0	0	0	112.1
1271	P	28.5	Very low	24.8	Very low	107 Å²	107	155.2 Å²	155.2	70%	0.695	82%	0.816	S	S	*	*				-129.6	179.1	-70.8	38.7	-17	0	0	0	113.3
1272	T	19.4	Very low	24.7	Very low	118 Å²	118	153 Å²	153	72%	0.724	81%	0.813	S	S	*	*			trans	-37.1	131.9	159	43.6	0	0	0	0	116.3
1273	N	22.7	Very low	24.8	Very low	147 Å²	147	153.1 Å²	153.1	79%	0.786	81%	0.814	S	S	*	*				158.1	121.5	125.7	-85	-15.2	0	0	0	111.5
1274	M	24.7	Very low	24.8	Very low	184 Å²	184	151.1 Å²	151.1	91%	0.906	81%	0.812	S	S	*	*				163.9	126	115.6	-78.7	-128.5	99.3	0	0	111.2
1275	H	21.8	Very low	24.8	Very low	181 Å²	181	154.2 Å²	154.2	84%	0.838	82%	0.819	S	S	*	*			trans	-67.6	145.7	162.8	-70.3	-86.4	0	0	0	111.8
1276	S	26.6	Very low	24.8	Very low	104 Å²	104	155.7 Å²	155.7	73%	0.727	82%	0.817	S	S	*	*			trans	159.5	102.8	140	56.2	0	0	0	0	110.1
1277	T	23.5	Very low	24.7	Very low	137 Å²	137	149.7 Å²	149.7	84%	0.84	80%	0.804	S	S	*	*				75.1	140.2	108.2	56.1	0	0	0	0	117.1
1278	P	36.2	Very low	24.9	Very low	111 Å²	111	150.4 Å²	150.4	72%	0.721	81%	0.807	S	S	*	*			trans	-93.1	143.3	-168	37.4	-30.8	0	0	0	112.1
1279	D	22.7	Very low	24.8	Very low	158 Å²	158	150 Å²	150	85%	0.845	81%	0.805	S	S	*	*			trans	173.1	115.4	149.2	-92.6	-27.5	0	0	0	108.3
1280	Q	28.6	Very low	24.8	Very low	200 Å²	200	146.9 Å²	146.9	94%	0.935	80%	0.803	S	S	*	*				-176.4	129	129.8	-100.5	173.1	20.3	0	0	111.8
1281	Q	22.1	Very low	24.8	Very low	183 Å²	183	145.7 Å²	145.7	86%	0.855	80%	0.801	S	S	*	*			trans	-72.1	163.4	175.5	-65.1	164.5	-34.2	0	0	112
1282	S	24.3	Very low	24.5	Very low	109 Å²	109	147 Å²	147	76%	0.762	81%	0.808	S	S	*	*			trans	109.3	120.2	134.7	76.3	0	0	0	0	119.4
1283	S	24.5	Very low	24.9	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	81%	0.809	S	S	*	*			trans	58.7	111.3	146.8	63	0	0	0	0	119.1
1284	I	26.8	Very low	24.8	Very low	172 Å²	172	146.2 Å²	146.2	88%	0.882	81%	0.81	S	S	*	*				-156.6	99.8	104.6	-82.8	139.7	0	0	0	106.9
1285	I	22.9	Very low	24.9	Very low	162 Å²	162	143.4 Å²	143.4	83%	0.831	80%	0.803	S	S	*	*			trans	-121.9	115	156.5	-65.7	176.6	0	0	0	103.7
1286	Q	25	Very low	24.9	Very low	157 Å²	157	140 Å²	140	73%	0.734	80%	0.8	S	S	*	*			trans	174	135.4	131.7	-98.8	-178.7	4.8	0	0	112.7
1287	N	23	Very low	24.9	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	81%	0.807	S	S	*	*			trans	72.5	111.2	148.3	-58.5	-20	0	0	0	118
1288	I	27.3	Very low	24.9	Very low	174 Å²	174	141.3 Å²	141.3	89%	0.892	80%	0.797	S	S	*	*				-151.2	109.8	108.7	-84	135.1	0	0	0	107.5
1289	K	21	Very low	24.4	Very low	196 Å²	196	144 Å²	144	85%	0.852	80%	0.8	S	S	*	*			trans	-99.8	152.8	158.1	-90.4	-177.6	174.3	179.6	0	107.2
1290	S	22.9	Very low	24.7	Very low	115 Å²	115	145 Å²	145	80%	0.804	81%	0.805	S	S	*	*			trans	70.6	106.7	162.7	69	0	0	0	0	118.8
1291	S	26.8	Very low	24.6	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	79%	0.794	S	S	*	*				-170.5	109.7	118.3	56.1	0	0	0	0	110.7
1292	T	21.1	Very low	24.7	Very low	136 Å²	136	137.8 Å²	137.8	83%	0.834	79%	0.786	S	S	*	*			trans	-65.8	139.9	161.6	12.2	0	0	0	0	110.8
1293	P	27.9	Very low	24.9	Very low	115 Å²	115	138.4 Å²	138.4	75%	0.747	79%	0.785	S	S	*	*			trans	-120.4	104.8	150.2	27.5	-11.1	0	0	0	109.8	T1295	P1293-T1295 PolarHBondContact O-N 3.21Å
1294	T	21.6	Very low	25.1	Very low	133 Å²	133	139.8 Å²	139.8	82%	0.816	79%	0.789	S	S	*	*			trans	-68.3	117	156.9	34.7	0	0	0	0	108.7
1295	T	26.7	Very low	25	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	78%	0.781	S	S	*	*			trans	-138.2	95.2	157.4	-45.3	0	0	0	0	108.5	P1293 M1297	P1293-T1295 PolarHBondContact O-N 3.21Å; T1295-M1297 PolarHBondContact O-N 3.4Å
1296	S	22.5	Very low	25.5	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	79%	0.785	S	S	*	*			trans	-66.2	114.1	161.7	48.9	0	0	0	0	109.5
1297	M	26	Very low	25.6	Very low	179 Å²	179	138.1 Å²	138.1	88%	0.882	79%	0.787	S	S	*	*			trans	-109.8	100.6	153.3	-92.7	-167.5	71.4	0	0	108.3	T1295	T1295-M1297 PolarHBondContact O-N 3.4Å
1298	S	24.1	Very low	25.9	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	80%	0.795	S	S	*	*			trans	-69.1	148.5	162.4	51.4	0	0	0	0	111
1299	Q	25.2	Very low	26.1	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	79%	0.792	S	S	*	*			trans	75.7	103.3	154.6	-66.5	174.1	-1.6	0	0	117.5
1300	L	28.8	Very low	26.7	Very low	181 Å²	181	142.2 Å²	142.2	95%	0.948	81%	0.813	S	S	*	*			trans	-141.3	118.7	131.6	-111.4	148.6	0	0	0	109.4
1301	D	25.4	Very low	26.9	Very low	133 Å²	133	143.6 Å²	143.6	71%	0.711	81%	0.813	S	S	*	*			trans	-68.9	151.4	-177.8	-80.5	-51.5	0	0	0	113.3
1302	S	26.1	Very low	26.9	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	81%	0.814	S	S	*	*			trans	81.6	130.5	133.3	72.3	0	0	0	0	121.3
1303	T	26.9	Very low	27.2	Very low	121 Å²	121	145.7 Å²	145.7	74%	0.742	81%	0.813	S	S	*	*			trans	91.8	112	140.4	51	0	0	0	0	121
1304	T	28.8	Very low	27.2	Very low	131 Å²	131	147.5 Å²	147.5	80%	0.804	82%	0.817	S	S	*	*			trans	88.7	110.1	135.8	29.5	0	0	0	0	119.4
1305	S	26.2	Very low	27.5	Very low	102 Å²	102	148.4 Å²	148.4	71%	0.713	82%	0.817	S	S	*	*			trans	-36.9	126.4	158.5	59.7	0	0	0	0	114
1306	K	31.3	Very low	27.6	Very low	208 Å²	208	150 Å²	150	90%	0.904	82%	0.821	S	S	*	*			trans	-110.9	89.7	138.8	-84.8	-177.3	173.2	179.1	0	106.8
1307	N	28	Very low	28	Very low	146 Å²	146	152.9 Å²	152.9	78%	0.781	82%	0.824	S	S	*	*			trans	-76.5	150.4	148.9	-89.8	-17.6	0	0	0	107.5
1308	E	28.6	Very low	28.1	Very low	185 Å²	185	150.8 Å²	150.8	86%	0.864	82%	0.82	S	S	*	*	S	Bend	trans	93.1	109.5	172.7	-58.5	-171.3	153.8	0	0	116
1309	I	32.4	Very low	28.5	Very low	162 Å²	162	156 Å²	156	83%	0.831	84%	0.836	S	S	*	*			trans	96.2	69.3	170.4	-43.9	165.5	0	0	0	114.2
1310	D	33.9	Very low	28.8	Very low	238 Å²	238	155 Å²	155	100%	1.273	84%	0.842	S	S	*	*				-154.2	0	122.7	-94.7	-23.2	0	0	0	110.3

Retrieved 1,310 of 1,310 residues in 1806.4 ms (Link to these results)

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