A0A096ME83_POEFO Loading...

Calcium voltage-gated channel auxiliary subunit alpha2delta 3

AlphaFold DB , UniProt , Accession A0A096ME83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,080 aa.

						>A0A096ME83_POEFO|A0A096ME83
MQVGRCCVASSVWSMWLLLLFSTQNIGATGVGGTHQSIPPSVVKLWASAFGGEMKSISAKYSGSQLLQKKYKEFERGVRVEEIDGLRLVKRLAKNMEEMFHKKAQAMKRLVEAAEEAHLQHEENPDLQYEYFNAVLINEDVELGGKFVLQPNDHFNNRSVNLSLSVVQVPTNMYNKDSAIVNGVYWSEALNKVFVDNFERDPSLIWQYFGSAKGFFRQYPGIKWKPDDHGVIAFDCRNRKWYIQAATSPKDVVILVDVSGSMKGLRLTIARQTVSSILDTLGDDDFFNIIAYNEELHYVEPCLNGTLVQADVTNKDHFREHLDKLFAQGIGMLDMALTEAFNLLGDFNKTGRGSECSQAIMLVTDGAVDTYDTIFEKYNWPERKVRIFPYLIGRESAFADNLKWMACANKGYFTQISTLADVQENVMEYLHVLSRPKVIDREHDTVWTEAYIDSTSDDGQGPVLMTTVAMPVFSTKNETRNRGILLGVVGTDVPVSELLKTIPKYKLGIHGYAFAITNNGYILTHPDLRPLYGDGKKRRKPNYSSVDLSEVEWEDKDDTLRNAMVNRKTGTFSMEVTKSVDKGKRVLVLHNDYYYTDIKGTPFSLGVALSRGHGKYFFRGNVTVEEGLHDLEHPDVALADEWTYCNTDEHPKHRYLSQIEAIKMYLSGQEPRLHCDKELIQEVLFDAVVTAPLEAYWTSLVLNKSENSDKGVEIAYLGTRTGLSRINLFVVPDELTNLDFLTAEDKEGVFNADHFPLWYKRAAEQVPGTFIYSLPFNSGSENRSVVLASTAIQLLDERKSPIAAAVGIQMKLEFFQRKFWTASRQCAALDGKCSISCDDEHINCYLIDNNGFILVAEDYTLTGNFFGEAEGAVMNKLLQMGSFKRVTLYDYQALCWVHSESSDSGHTLLDPYFAFFAAVKWILTELVIFLVEFNLYSWWNSDLTAKAQRAGPHMQVPCDTEYPAFVSERTIKENMGNIDCDGCIKSFVIQQIPSSNLFMVVVDNKCDCSQFGPITMDPFEIMYNESLKCERLKMQKDRRRPDTCHPFHPEENSMECGGAGSLTTSLSATLLLALMALFLR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	30.1	Very low	236 Å²	236	140.1 Å²	140.1	100%	1.163	82%	0.822	S	S	*	*				0	99.5	0	-65.1	152.1	86.1	0	0	105.7
2	Q	29.5	Very low	30.7	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	82%	0.817	S	S	*	*				55.8	125.5	87.2	-89.1	-174.9	-15	0	0	112.2
3	V	30.6	Very low	30.4	Very low	133 Å²	133	147.6 Å²	147.6	81%	0.806	83%	0.828	S	S	*	*			cis	-150.6	158.5	14.6	-175.3	0	0	0	0	108.7
4	G	29.8	Very low	30.5	Very low	61 Å²	61	144.1 Å²	144.1	63%	0.629	82%	0.818	S	S	*	*			cis	138.4	141.5	-7.7	0	0	0	0	0	114.9
5	R	31.5	Very low	30.6	Very low	246 Å²	246	144 Å²	144	93%	0.928	81%	0.81	S	S	*	*			trans	79.2	157.2	173.7	-58.4	177.6	172.9	179.3	-2.6	118.2
6	C	27.3	Very low	30.4	Very low	112 Å²	112	147.6 Å²	147.6	76%	0.757	81%	0.807	S	S	*	*			cis	-169.9	141.3	-32.5	-101.3	0	0	0	0	110.4
7	C	30.1	Very low	30.3	Very low	118 Å²	118	147 Å²	147	80%	0.797	80%	0.802	S	S	*	*			trans	28.4	141.2	150.7	-51.5	0	0	0	0	124.5
8	V	29	Very low	30.4	Very low	151 Å²	151	147.9 Å²	147.9	92%	0.915	81%	0.805	S	S	*	*				159.9	164.7	118.1	165.8	0	0	0	0	110.9
9	A	29.4	Very low	30.4	Very low	83 Å²	83	147.9 Å²	147.9	69%	0.686	80%	0.803	S	S	*	*			trans	-117.2	175.2	-153.6	0	0	0	0	0	117.9
10	S	29.8	Very low	30.4	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	80%	0.804	S	S	*	*			trans	78.6	127	145.5	66.4	0	0	0	0	124.5
11	S	32.7	Very low	30.4	Very low	102 Å²	102	150.9 Å²	150.9	71%	0.713	81%	0.808	S	S	*	*			trans	81.8	114.2	130.8	66.8	0	0	0	0	124
12	V	36.7	Very low	30.3	Very low	126 Å²	126	144.4 Å²	144.4	76%	0.764	79%	0.786	S	S	*	*				65.6	131.5	128.9	179.5	0	0	0	0	119.5
13	W	26.7	Very low	30.4	Very low	252 Å²	252	141.3 Å²	141.3	96%	0.955	78%	0.78	S	S	*	*				-154.4	155.7	129.8	-118.7	45.3	0	0	0	112.4
14	S	32.8	Very low	30.5	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	78%	0.778	S	S	*	*			trans	-148.7	175	-178	-179.1	0	0	0	0	108.8
15	M	30.9	Very low	30.5	Very low	142 Å²	142	146.6 Å²	146.6	70%	0.7	78%	0.784	S	S	*	*			trans	85.7	121.1	153.9	-152.5	179.4	175.3	0	0	117.2
16	W	27.2	Very low	30.5	Very low	202 Å²	202	142.2 Å²	142.2	77%	0.765	78%	0.778	S	S	*	*				177.7	153.2	103.9	-101.4	85.2	0	0	0	113.1
17	L	30.2	Very low	30.5	Very low	137 Å²	137	140.5 Å²	140.5	72%	0.717	78%	0.778	S	S	*	*			trans	64.4	122.1	176.5	-62.4	122.4	0	0	0	116
18	L	32	Very low	30.3	Very low	163 Å²	163	139.6 Å²	139.6	85%	0.853	78%	0.78	S	S	*	*			cis	65.2	93.3	16.6	-95	170.7	0	0	0	115.7
19	L	30	Very low	30.3	Very low	148 Å²	148	139.4 Å²	139.4	78%	0.775	78%	0.779	S	S	*	*			trans	-175.7	130.6	140.1	-98.5	163.8	0	0	0	113.3
20	L	30.7	Very low	30.1	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	78%	0.781	S	S	*	*			trans	64.8	117.5	151.3	-69.7	163.4	0	0	0	124.1
21	F	29.5	Very low	30.1	Very low	204 Å²	204	140.6 Å²	140.6	90%	0.895	79%	0.787	S	S	*	*			trans	-42.3	144.3	162.5	-76.3	-110.2	0	0	0	118
22	S	29.7	Very low	30	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	79%	0.788	S	S	*	*				171.2	148.3	96.2	57.8	0	0	0	0	114.7
23	T	32.8	Very low	29.5	Very low	125 Å²	125	136 Å²	136	77%	0.767	78%	0.781	S	S	*	*			trans	62.3	136.5	173.1	66.5	0	0	0	0	117.8
24	Q	32.7	Very low	29.8	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	78%	0.776	S	S	*	*			cis	-154	135.9	-6.6	-108	171.6	1	0	0	106.9
25	N	29.3	Very low	30.3	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	78%	0.78	S	S	*	*				54.5	136.2	98.3	-80.7	-3.3	0	0	0	115.5
26	I	32	Very low	31.2	Very low	155 Å²	155	132.9 Å²	132.9	80%	0.795	77%	0.774	S	S	*	*			cis	-156.7	152.7	6.7	-96	147.9	0	0	0	107.8
27	G	26.1	Very low	32.9	Very low	75 Å²	75	127 Å²	127	77%	0.773	76%	0.764	S	S	*	*			trans	-173.7	41.7	178.1	0	0	0	0	0	118.6
28	A	26.6	Very low	35.1	Very low	100 Å²	100	120.9 Å²	120.9	83%	0.826	73%	0.732	S	S	*	*			trans	46.9	91.7	164.9	0	0	0	0	0	119	G30	A28-G30 PolarHBondContact O-N 3.47Å
29	T	27.8	Very low	37.4	Very low	147 Å²	147	114.7 Å²	114.7	90%	0.902	70%	0.701	S	S	*	*			trans	-68.5	105.7	154.8	47.2	0	0	0	0	110.4
30	G	26.1	Very low	39.9	Very low	70 Å²	70	110.7 Å²	110.7	72%	0.722	68%	0.684	S	S	*	*			trans	-68.5	137.5	159.5	0	0	0	0	0	110.2	A28 G32	A28-G30 PolarHBondContact O-N 3.47Å; G30-G32 PolarHBondContact O-N 3.02Å
31	V	29.9	Very low	42.4	Very low	146 Å²	146	107.5 Å²	107.5	89%	0.885	67%	0.674	S	S	*	*			trans	-62.3	126.8	-177.9	174	0	0	0	0	110.1	G33	V31-G33 PolarHBondContact O-N 3.36Å
32	G	30.3	Very low	45.1	Very low	72 Å²	72	98.8 Å²	98.8	74%	0.742	64%	0.638	S	S	*	*			trans	-63.9	106.1	170.5	0	0	0	0	0	110.4	G30 T34	G30-G32 PolarHBondContact O-N 3.02Å; G32-T34 PolarHBondContact O-N 3.27Å
33	G	26.4	Very low	47.8	Very low	59 Å²	59	94 Å²	94	61%	0.608	61%	0.605	S	S	*	*			trans	-64.9	129.9	169.8	0	0	0	0	0	109.9	V31 H35	V31-G33 PolarHBondContact O-N 3.36Å; G33-H35 PolarHBondContact O-N 3.45Å; G33-H35 VanDerWaalsContact O-N 3.09Å
34	T	32.7	Very low	50.5	Low	138 Å²	138	92.2 Å²	92.2	85%	0.847	59%	0.586	S	S	*	*			trans	-62.2	110.3	170.9	43.3	0	0	0	0	109.4	G32 Q36	G32-T34 PolarHBondContact O-N 3.27Å; T34-Q36 PolarHBondContact O-N 2.86Å
35	H	42.9	Very low	53.2	Low	166 Å²	166	87.6 Å²	87.6	77%	0.769	57%	0.566	S	S	*	*			trans	-61.1	104.2	172.6	-76.5	-92.7	0	0	0	109.7	G33 S37	G33-H35 PolarHBondContact O-N 3.45Å; G33-H35 VanDerWaalsContact O-N 3.09Å; H35-S37 PolarHBondContact O-N 3.36Å
36	Q	49.5	Very low	56.1	Low	124 Å²	124	81 Å²	81	58%	0.579	53%	0.531	S	S	*	.			trans	-81.1	86.2	-179.9	-167.2	173.2	-10.5	0	0	109	T34 S834	T34-Q36 PolarHBondContact O-N 2.86Å; Q36-S834 PolarHBondContact NE2-O 3.32Å
37	S	63.5	Low	58.9	Low	79 Å²	79	73.6 Å²	73.6	55%	0.552	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-59.8	134.8	176.7	57	0	0	0	0	111.4	H35 P39	H35-S37 PolarHBondContact O-N 3.36Å; S37-P39 VanDerWaalsContact O-CD 3.26Å; S37-P39 WeakPolarHBondContact O-CD 3.42Å; S37-P39 VanDerWaalsContact O-N 3.16Å
38	I	76.2	Confident	62	Low	8 Å²	8	72.8 Å²	72.8	4%	0.041	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-52.2	116.8	177	-62.6	160.9	0	0	0	109.9	P40 V43 I835 V988 V1001 D1003	I38-P40 VanDerWaalsContact O-CD 3.3Å; I38-P40 WeakPolarHBondContact O-CD 3.28Å; I38-V43 HydrophobicContact CG2-CG2 3.88Å; I38-I835 HydrophobicContact CG2-CD1 3.91Å; I38-V988 HydrophobicContact CB-CG2 4.01Å; I38-V988 HydrophobicContact CG2-CB 4.36Å; I38-V988 HydrophobicContact CG2-CG2 3.81Å; I38-V1001 HydrophobicContact CD1-CG1 4.2Å; I38-V1001 HydrophobicContact CG2-CG1 4.1Å; I38-D1003 HydrophobicContact CD1-CB 4.48Å
39	P	81.4	Confident	65.1	Low	33 Å²	33	69.1 Å²	69.1	21%	0.214	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-72	116	-177.5	-20.3	34	0	0	0	111.3	S37 S41 V42	S37-P39 VanDerWaalsContact O-CD 3.26Å; S37-P39 WeakPolarHBondContact O-CD 3.42Å; S37-P39 VanDerWaalsContact O-N 3.16Å; P39-S41 PolarHBondContact O-N 2.92Å; P39-V42 HydrophobicContact CB-CG2 4.04Å; P39-V42 PolarHBondContact O-N 2.63Å
40	P	81.6	Confident	68.2	Low	63 Å²	63	62.3 Å²	62.3	41%	0.409	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-25.4	-175.5	25.9	-34.6	0	0	0	112.7	I38 V42 V43 K44 V988	I38-P40 VanDerWaalsContact O-CD 3.3Å; I38-P40 WeakPolarHBondContact O-CD 3.28Å; P40-V42 VanDerWaalsContact C-N 3.26Å; P40-V42 PolarHBondContact O-N 3.36Å; P40-V43 PolarHBondContact O-N 3.03Å; P40-K44 VanDerWaalsContact O-CB 3.28Å; P40-K44 WeakPolarHBondContact O-CB 3.47Å; P40-K44 PolarHBondContact O-N 3Å; P40-V988 HydrophobicContact CB-CG1 4.28Å
41	S	83.8	Confident	71.3	Confident	88 Å²	88	59.3 Å²	59.3	62%	0.615	37%	0.373	S	S	*	.	H	α-helix	trans	-62.2	-30.5	174	51.8	0	0	0	0	113.7	P39 L45	P39-S41 PolarHBondContact O-N 2.92Å; S41-L45 PolarHBondContact O-N 2.7Å
42	V	86.1	Confident	74.2	Confident	22 Å²	22	54.4 Å²	54.4	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-76	-47.6	177.7	175.4	0	0	0	0	110	P39 P40 K44 L45 W46 I835	P39-V42 HydrophobicContact CB-CG2 4.04Å; P39-V42 PolarHBondContact O-N 2.63Å; P40-V42 VanDerWaalsContact C-N 3.26Å; P40-V42 PolarHBondContact O-N 3.36Å; V42-K44 VanDerWaalsContact C-N 3.25Å; V42-K44 PolarHBondContact O-N 2.86Å; V42-L45 WeakPolarHBondContact O-CB 3.49Å; V42-L45 PolarHBondContact O-N 3.2Å; V42-W46 HydrophobicContact CG1-CD2 4Å; V42-W46 VanDerWaalsContact CG1-CE2 3.42Å; V42-W46 HydrophobicContact CG1-CE3 4.42Å; V42-W46 HydrophobicContact CG1-CH2 3.92Å; V42-W46 HydrophobicContact CG1-CZ2 3.39Å; V42-W46 HydrophobicContact CG1-CZ3 4.39Å; V42-W46 PolarHBondContact O-N 2.68Å; V42-I835 HydrophobicContact CG1-CG1 4.32Å
43	V	86.7	Confident	77.1	Confident	0 Å²	0	54 Å²	54	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.5	-38	175.9	-172.4	0	0	0	0	111.3	I38 P40 L45 W46 A47 V988 Q990 M999 V1001	I38-V43 HydrophobicContact CG2-CG2 3.88Å; P40-V43 PolarHBondContact O-N 3.03Å; V43-L45 PolarHBondContact O-N 2.89Å; V43-W46 HydrophobicContact CG2-CE3 4.4Å; V43-W46 HydrophobicContact CG2-CZ3 4.47Å; V43-W46 PolarHBondContact O-N 2.81Å; V43-A47 WeakPolarHBondContact O-CB 3.41Å; V43-A47 PolarHBondContact O-N 2.79Å; V43-V988 HydrophobicContact CB-CG1 4.21Å; V43-V988 HydrophobicContact CG1-CG1 4.28Å; V43-V988 HydrophobicContact CG2-CB 4.36Å; V43-V988 HydrophobicContact CG2-CG1 4.17Å; V43-Q990 HydrophobicContact CG1-CB 3.95Å; V43-M999 HydrophobicContact CG1-CG 4.31Å; V43-M999 HydrophobicContact CG1-SD 4.13Å; V43-V1001 HydrophobicContact CG1-CG2 3.79Å; V43-V1001 HydrophobicContact CG2-CB 4.24Å; V43-V1001 HydrophobicContact CG2-CG2 3.91Å
44	K	88.8	Confident	80.2	Confident	87 Å²	87	51.3 Å²	51.3	38%	0.378	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-33.9	175.2	-165.9	165.6	-169.9	158.5	0	113.6	P40 V42 S48 E973	P40-K44 VanDerWaalsContact O-CB 3.28Å; P40-K44 WeakPolarHBondContact O-CB 3.47Å; P40-K44 PolarHBondContact O-N 3Å; V42-K44 VanDerWaalsContact C-N 3.25Å; V42-K44 PolarHBondContact O-N 2.86Å; K44-S48 WeakPolarHBondContact O-CB 3.48Å; K44-S48 PolarHBondContact O-N 3.36Å; K44-S48 VanDerWaalsContact O-N 3.13Å; K44-S48 PolarHBondContact O-OG 3.34Å; K44-E973 WeakPolarHBondContact CE-OE2 3.38Å; K44-E973 IonicContact NZ-OE1 3.68Å; K44-E973 PolarHBondContact NZ-OE1 3.1Å; K44-E973 IonicContact NZ-OE2 2.99Å; K44-E973 PolarHBondContact NZ-OE2 3.5Å
45	L	89.3	Confident	83	Confident	67 Å²	67	48 Å²	48	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-49.5	172.2	-178.3	68.1	0	0	0	110.7	S41 V42 V43 A47 S48 A49 A827	S41-L45 PolarHBondContact O-N 2.7Å; V42-L45 WeakPolarHBondContact O-CB 3.49Å; V42-L45 PolarHBondContact O-N 3.2Å; V43-L45 PolarHBondContact O-N 2.89Å; L45-A47 PolarHBondContact O-N 3.05Å; L45-S48 PolarHBondContact O-N 3.28Å; L45-S48 VanDerWaalsContact O-N 3.17Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.71Å; L45-A827 HydrophobicContact CD2-CB 4.13Å
46	W	90.3	Very high	85.3	Confident	1 Å²	1	44 Å²	44	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-49.7	178	-62.2	-22.6	0	0	0	112.2	V42 V43 S48 A49 F50 A822 S823 Q825 I835 M999 V1001	V42-W46 HydrophobicContact CG1-CD2 4Å; V42-W46 VanDerWaalsContact CG1-CE2 3.42Å; V42-W46 HydrophobicContact CG1-CE3 4.42Å; V42-W46 HydrophobicContact CG1-CH2 3.92Å; V42-W46 HydrophobicContact CG1-CZ2 3.39Å; V42-W46 HydrophobicContact CG1-CZ3 4.39Å; V42-W46 PolarHBondContact O-N 2.68Å; V43-W46 HydrophobicContact CG2-CE3 4.4Å; V43-W46 HydrophobicContact CG2-CZ3 4.47Å; V43-W46 PolarHBondContact O-N 2.81Å; W46-S48 VanDerWaalsContact C-N 3.3Å; W46-S48 PolarHBondContact O-N 3.18Å; W46-A49 PolarHBondContact O-N 3.09Å; W46-F50 WeakPolarHBondContact O-CB 3.17Å; W46-F50 PolarHBondContact O-N 2.9Å; W46-A822 VanDerWaalsContact CD1-O 3.23Å; W46-S823 WeakPolarHBondContact CZ2-O 3.49Å; W46-S823 PolarHBondContact NE1-O 3.15Å; W46-Q825 VanDerWaalsContact CD1-O 3.29Å; W46-Q825 PolarHBondContact NE1-O 3.16Å; W46-I835 HydrophobicContact CH2-CD1 3.97Å; W46-I835 HydrophobicContact CH2-CG1 4Å; W46-I835 HydrophobicContact CZ2-CG1 4.48Å; W46-I835 HydrophobicContact CZ3-CD1 4.42Å; W46-M999 HydrophobicContact CB-CE 3.97Å; W46-M999 HydrophobicContact CB-SD 3.75Å; W46-M999 HydrophobicContact CD2-CE 4.22Å; W46-M999 HydrophobicContact CE3-CE 3.54Å; W46-M999 HydrophobicContact CE3-SD 4.32Å; W46-M999 HydrophobicContact CG-CE 4.45Å; W46-M999 HydrophobicContact CZ3-CE 4.33Å; W46-V1001 HydrophobicContact CZ3-CG2 4.37Å
47	A	90.7	Very high	87.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-39.5	176.2	0	0	0	0	0	112.5	V43 L45 G51 Q990 I992	V43-A47 WeakPolarHBondContact O-CB 3.41Å; V43-A47 PolarHBondContact O-N 2.79Å; L45-A47 PolarHBondContact O-N 3.05Å; A47-G51 PolarHBondContact O-N 2.85Å; A47-Q990 HydrophobicContact CB-CB 4.48Å; A47-Q990 HydrophobicContact CB-CG 3.64Å; A47-I992 HydrophobicContact CB-CG1 4.15Å
48	S	91.9	Very high	88.7	Confident	57 Å²	57	34.7 Å²	34.7	40%	0.399	21%	0.214	S	C	.	.	H	α-helix	trans	-71.6	-40	178.6	-58.8	0	0	0	0	112.7	K44 L45 W46 G52	K44-S48 WeakPolarHBondContact O-CB 3.48Å; K44-S48 PolarHBondContact O-N 3.36Å; K44-S48 VanDerWaalsContact O-N 3.13Å; K44-S48 PolarHBondContact O-OG 3.34Å; L45-S48 PolarHBondContact O-N 3.28Å; L45-S48 VanDerWaalsContact O-N 3.17Å; W46-S48 VanDerWaalsContact C-N 3.3Å; W46-S48 PolarHBondContact O-N 3.18Å; S48-G52 PolarHBondContact O-N 3.16Å
49	A	91.2	Very high	89.5	Confident	24 Å²	24	34.8 Å²	34.8	20%	0.198	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-51.7	177.2	0	0	0	0	0	111.4	L45 W46 G52 E53 A822 Q825	L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.71Å; W46-A49 PolarHBondContact O-N 3.09Å; A49-G52 PolarHBondContact O-N 2.95Å; A49-E53 PolarHBondContact O-N 3.21Å; A49-A822 HydrophobicContact CB-CB 4.41Å; A49-Q825 VanDerWaalsContact CB-OE1 3.24Å
50	F	92.3	Very high	89.9	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-47.8	177.5	-179.7	-103.6	0	0	0	112	W46 G52 E53 M54 F815 K818 F819 A822 L846 I992 L997	W46-F50 WeakPolarHBondContact O-CB 3.17Å; W46-F50 PolarHBondContact O-N 2.9Å; F50-G52 VanDerWaalsContact C-N 3.32Å; F50-G52 PolarHBondContact O-N 3.08Å; F50-E53 PolarHBondContact O-N 2.89Å; F50-M54 HydrophobicContact CD1-CG 4.32Å; F50-M54 HydrophobicContact CD2-CG 3.98Å; F50-M54 HydrophobicContact CE1-CG 3.95Å; F50-M54 HydrophobicContact CE2-CG 3.55Å; F50-M54 HydrophobicContact CE2-SD 4.24Å; F50-M54 HydrophobicContact CG-CG 4.36Å; F50-M54 HydrophobicContact CZ-CG 3.57Å; F50-M54 HydrophobicContact CZ-SD 4.49Å; F50-M54 WeakPolarHBondContact O-CB 3.42Å; F50-M54 PolarHBondContact O-N 3.19Å; F50-F815 HydrophobicContact CE1-CE2 4.33Å; F50-F815 HydrophobicContact CE1-CZ 4.16Å; F50-F815 HydrophobicContact CZ-CD2 4.22Å; F50-F815 HydrophobicContact CZ-CE1 4.22Å; F50-F815 AromaticContact CZ-CE2 3.67Å; F50-F815 HydrophobicContact CZ-CE2 3.67Å; F50-F815 AromaticContact CZ-CZ 3.68Å; F50-F815 HydrophobicContact CZ-CZ 3.68Å; F50-K818 HydrophobicContact CE2-CB 4.19Å; F50-F819 HydrophobicContact CD2-CB 4.06Å; F50-F819 HydrophobicContact CD2-CD2 4.38Å; F50-F819 HydrophobicContact CE2-CB 3.65Å; F50-F819 HydrophobicContact CE2-CD2 4.38Å; F50-F819 HydrophobicContact CG-CD2 4.47Å; F50-F819 HydrophobicContact CZ-CB 4.19Å; F50-F819 HydrophobicContact CZ-CD2 4.45Å; F50-A822 HydrophobicContact CB-CB 3.7Å; F50-A822 HydrophobicContact CD2-CB 4.35Å; F50-L846 HydrophobicContact CE1-CD1 4.43Å; F50-L846 HydrophobicContact CE1-CD2 3.85Å; F50-L846 HydrophobicContact CZ-CD2 3.88Å; F50-I992 HydrophobicContact CD1-CD1 3.76Å; F50-I992 HydrophobicContact CD1-CG2 4.41Å; F50-I992 HydrophobicContact CE1-CD1 4.2Å; F50-L997 HydrophobicContact CE1-CD1 4.3Å
51	G	91.3	Very high	90.4	Very high	7 Å²	7	33.9 Å²	33.9	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-38.9	178.9	0	0	0	0	0	112.9	A47 K55	A47-G51 PolarHBondContact O-N 2.85Å; G51-K55 WeakPolarHBondContact O-CB 3.33Å; G51-K55 PolarHBondContact O-N 3.27Å
52	G	91.5	Very high	90.8	Very high	42 Å²	42	29.7 Å²	29.7	43%	0.433	17%	0.173	S	C	.	.	H	α-helix	trans	-65.1	-48.3	175.7	0	0	0	0	0	113.1	S48 A49 F50 S56	S48-G52 PolarHBondContact O-N 3.16Å; A49-G52 PolarHBondContact O-N 2.95Å; F50-G52 VanDerWaalsContact C-N 3.32Å; F50-G52 PolarHBondContact O-N 3.08Å; G52-S56 WeakPolarHBondContact O-CB 3.42Å; G52-S56 PolarHBondContact O-N 2.78Å; G52-S56 VanDerWaalsContact O-N 3.12Å
53	E	90.5	Very high	91	Very high	65 Å²	65	28.7 Å²	28.7	30%	0.304	17%	0.167	S	C	.	.	H	α-helix	trans	-65.4	-49.4	179	-172.8	175.2	-166.9	0	0	111.6	A49 F50 K55 S56 I57 K818	A49-E53 PolarHBondContact O-N 3.21Å; F50-E53 PolarHBondContact O-N 2.89Å; E53-K55 PolarHBondContact O-N 3.18Å; E53-S56 WeakPolarHBondContact O-CB 3.27Å; E53-S56 PolarHBondContact O-N 3.31Å; E53-S56 VanDerWaalsContact O-N 3.11Å; E53-I57 HydrophobicContact CG-CD1 3.96Å; E53-I57 WeakPolarHBondContact O-CG1 2.98Å; E53-I57 PolarHBondContact O-N 3.39Å; E53-K818 WeakPolarHBondContact OE1-CD 3.46Å; E53-K818 WeakPolarHBondContact OE1-CE 3.15Å; E53-K818 IonicContact OE1-NZ 3.3Å; E53-K818 PolarHBondContact OE1-NZ 3.29Å
54	M	91.9	Very high	91.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-38.9	-179.4	-73.3	-51.1	-45	0	0	112.6	F50 S56 I57 S58 Y772 M810 F815 K818	F50-M54 HydrophobicContact CD1-CG 4.32Å; F50-M54 HydrophobicContact CD2-CG 3.98Å; F50-M54 HydrophobicContact CE1-CG 3.95Å; F50-M54 HydrophobicContact CE2-CG 3.55Å; F50-M54 HydrophobicContact CE2-SD 4.24Å; F50-M54 HydrophobicContact CG-CG 4.36Å; F50-M54 HydrophobicContact CZ-CG 3.57Å; F50-M54 HydrophobicContact CZ-SD 4.49Å; F50-M54 WeakPolarHBondContact O-CB 3.42Å; F50-M54 PolarHBondContact O-N 3.19Å; M54-S56 VanDerWaalsContact C-N 3.3Å; M54-S56 PolarHBondContact O-N 2.89Å; M54-I57 PolarHBondContact O-N 3.13Å; M54-I57 HydrophobicContact SD-CD1 4.32Å; M54-S58 VanDerWaalsContact O-CB 3.32Å; M54-S58 WeakPolarHBondContact O-CB 3.47Å; M54-S58 PolarHBondContact O-N 3.34Å; M54-S58 PolarHBondContact O-OG 2.89Å; M54-S58 VanDerWaalsContact O-OG 3.11Å; M54-Y772 HydrophobicContact CE-CE1 4.07Å; M54-Y772 PolarHBondContact O-OH 3.47Å; M54-M810 HydrophobicContact CE-CE 3.82Å; M54-M810 HydrophobicContact CE-SD 3.6Å; M54-M810 VanDerWaalsContact CE-SD 3.6Å; M54-F815 HydrophobicContact CE-CD2 3.67Å; M54-F815 HydrophobicContact CE-CE2 3.9Å; M54-F815 HydrophobicContact CG-CD2 4.48Å; M54-F815 HydrophobicContact CG-CE2 4.18Å; M54-F815 HydrophobicContact SD-CD2 3.97Å; M54-F815 HydrophobicContact SD-CE2 4.25Å; M54-K818 HydrophobicContact SD-CB 4.14Å; M54-K818 HydrophobicContact SD-CG 4.29Å
55	K	91.9	Very high	91.4	Very high	70 Å²	70	31.8 Å²	31.8	30%	0.304	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-39.5	173.1	-174.3	179.6	-164.9	169.4	0	111.7	G51 E53 A59 G768 F770 S994	G51-K55 WeakPolarHBondContact O-CB 3.33Å; G51-K55 PolarHBondContact O-N 3.27Å; E53-K55 PolarHBondContact O-N 3.18Å; K55-A59 WeakPolarHBondContact O-CB 3.4Å; K55-A59 PolarHBondContact O-N 2.72Å; K55-G768 WeakPolarHBondContact CE-O 3.22Å; K55-G768 PolarHBondContact NZ-O 3.39Å; K55-G768 VanDerWaalsContact NZ-O 3.09Å; K55-F770 HydrophobicContact CG-CD2 4.31Å; K55-F770 HydrophobicContact CG-CE2 4.46Å; K55-S994 PolarHBondContact NZ-OG 2.89Å
56	S	91.6	Very high	91.6	Very high	80 Å²	80	31 Å²	31	56%	0.559	18%	0.18	S	C	*	.	H	α-helix	trans	-64	-49.2	178	-171.3	0	0	0	0	111.5	G52 E53 M54 A59 K60	G52-S56 WeakPolarHBondContact O-CB 3.42Å; G52-S56 PolarHBondContact O-N 2.78Å; G52-S56 VanDerWaalsContact O-N 3.12Å; E53-S56 WeakPolarHBondContact O-CB 3.27Å; E53-S56 PolarHBondContact O-N 3.31Å; E53-S56 VanDerWaalsContact O-N 3.11Å; M54-S56 VanDerWaalsContact C-N 3.3Å; M54-S56 PolarHBondContact O-N 2.89Å; S56-A59 PolarHBondContact O-N 2.98Å; S56-K60 VanDerWaalsContact O-CB 3.31Å; S56-K60 WeakPolarHBondContact O-CB 3.43Å; S56-K60 PolarHBondContact O-N 2.9Å
57	I	91.1	Very high	91.6	Very high	9 Å²	9	31 Å²	31	5%	0.046	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-51.1	177.1	-65.2	165.9	0	0	0	110.3	E53 M54 A59 K60 Y61 V712 F814	E53-I57 HydrophobicContact CG-CD1 3.96Å; E53-I57 WeakPolarHBondContact O-CG1 2.98Å; E53-I57 PolarHBondContact O-N 3.39Å; M54-I57 PolarHBondContact O-N 3.13Å; M54-I57 HydrophobicContact SD-CD1 4.32Å; I57-A59 PolarHBondContact O-N 3.05Å; I57-K60 PolarHBondContact O-N 2.95Å; I57-Y61 HydrophobicContact CG2-CD2 3.97Å; I57-Y61 HydrophobicContact CG2-CE2 4.28Å; I57-Y61 WeakPolarHBondContact O-CD2 3.42Å; I57-Y61 PolarHBondContact O-N 2.96Å; I57-V712 HydrophobicContact CG2-CG2 4.07Å; I57-F814 HydrophobicContact CD1-CE1 4.21Å; I57-F814 HydrophobicContact CD1-CZ 4.05Å; I57-F814 HydrophobicContact CG2-CE1 4.49Å
58	S	92.6	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-41.4	-179.6	-64.5	0	0	0	0	112.4	M54 S62 Y772	M54-S58 VanDerWaalsContact O-CB 3.32Å; M54-S58 WeakPolarHBondContact O-CB 3.47Å; M54-S58 PolarHBondContact O-N 3.34Å; M54-S58 PolarHBondContact O-OG 2.89Å; M54-S58 VanDerWaalsContact O-OG 3.11Å; S58-S62 WeakPolarHBondContact O-CB 3.38Å; S58-S62 PolarHBondContact O-N 2.78Å; S58-S62 VanDerWaalsContact O-N 3.07Å; S58-S62 PolarHBondContact O-OG 3.14Å; S58-Y772 WeakPolarHBondContact OG-CE1 3.08Å; S58-Y772 PolarHBondContact OG-OH 3.48Å
59	A	92.4	Very high	91.5	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-38.3	175.9	0	0	0	0	0	113.3	K55 S56 I57 G63 Q65 F770	K55-A59 WeakPolarHBondContact O-CB 3.4Å; K55-A59 PolarHBondContact O-N 2.72Å; S56-A59 PolarHBondContact O-N 2.98Å; I57-A59 PolarHBondContact O-N 3.05Å; A59-G63 PolarHBondContact O-N 3.46Å; A59-Q65 HydrophobicContact CB-CG 4.41Å; A59-F770 HydrophobicContact CB-CE2 4.19Å; A59-F770 HydrophobicContact CB-CZ 4.34Å
60	K	90.8	Very high	91.4	Very high	70 Å²	70	37.7 Å²	37.7	30%	0.304	20%	0.198	S	C	.	.	H	α-helix	trans	-63.5	-55.2	177.5	-176.7	-175	178.2	-172.1	0	111.2	S56 I57 Y696	S56-K60 VanDerWaalsContact O-CB 3.31Å; S56-K60 WeakPolarHBondContact O-CB 3.43Å; S56-K60 PolarHBondContact O-N 2.9Å; I57-K60 PolarHBondContact O-N 2.95Å; K60-Y696 WeakPolarHBondContact O-CE1 3.44Å; K60-Y696 PolarHBondContact O-OH 2.02Å
61	Y	90.9	Very high	91.2	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-77.2	-31.1	-174.3	-72.9	-82.4	0	0	0	113.4	I57 G63 W697 L700 N707 V712 F729	I57-Y61 HydrophobicContact CG2-CD2 3.97Å; I57-Y61 HydrophobicContact CG2-CE2 4.28Å; I57-Y61 WeakPolarHBondContact O-CD2 3.42Å; I57-Y61 PolarHBondContact O-N 2.96Å; Y61-G63 VanDerWaalsContact C-N 3.34Å; Y61-W697 PolarHBondContact O-NE1 3.34Å; Y61-W697 VanDerWaalsContact O-NE1 3.11Å; Y61-L700 HydrophobicContact CD1-CD1 4.46Å; Y61-N707 PolarHBondContact OH-OD1 2.73Å; Y61-V712 HydrophobicContact CD1-CB 4.33Å; Y61-V712 HydrophobicContact CD1-CG1 4.37Å; Y61-V712 HydrophobicContact CD2-CB 4.39Å; Y61-V712 HydrophobicContact CD2-CG2 3.81Å; Y61-V712 HydrophobicContact CE2-CG2 4.24Å; Y61-V712 HydrophobicContact CG-CB 4.16Å; Y61-V712 HydrophobicContact CG-CG1 4.12Å; Y61-V712 HydrophobicContact CG-CG2 4.03Å; Y61-F729 HydrophobicContact CD1-CD1 4.34Å; Y61-F729 HydrophobicContact CD1-CD2 4.35Å; Y61-F729 HydrophobicContact CD1-CE1 4.06Å; Y61-F729 HydrophobicContact CD1-CE2 4.03Å; Y61-F729 AromaticContact CD1-CZ 3.89Å; Y61-F729 HydrophobicContact CD1-CZ 3.89Å
62	S	92.1	Very high	90.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-26.6	173.9	62.6	0	0	0	0	113.5	S58 S64 V806	S58-S62 WeakPolarHBondContact O-CB 3.38Å; S58-S62 PolarHBondContact O-N 2.78Å; S58-S62 VanDerWaalsContact O-N 3.07Å; S58-S62 PolarHBondContact O-OG 3.14Å; S62-S64 PolarHBondContact O-N 2.87Å; S62-S64 WeakPolarHBondContact OG-CB 3.34Å; S62-S64 PolarHBondContact OG-N 3.24Å; S62-S64 PolarHBondContact OG-OG 3.14Å; S62-V806 VanDerWaalsContact O-CG2 3.27Å; S62-V806 WeakPolarHBondContact O-CG2 3.37Å
63	G	92.3	Very high	90.7	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.021	21%	0.208	C	C	.	.			trans	70.3	15	-170.7	0	0	0	0	0	113.9	A59 Y61 Q65 L66 L67	A59-G63 PolarHBondContact O-N 3.46Å; Y61-G63 VanDerWaalsContact C-N 3.34Å; G63-Q65 VanDerWaalsContact C-N 3.25Å; G63-Q65 PolarHBondContact O-N 3.43Å; G63-Q65 VanDerWaalsContact O-N 3.14Å; G63-L66 WeakPolarHBondContact O-CB 3.3Å; G63-L66 PolarHBondContact O-N 3.18Å; G63-L67 PolarHBondContact O-N 3.34Å
64	S	92.1	Very high	90.3	Very high	11 Å²	11	43.2 Å²	43.2	8%	0.077	21%	0.209	C	C	.	.	H	α-helix	trans	-55.5	-36	-173.8	65.4	0	0	0	0	114.1	S62 Q68	S62-S64 PolarHBondContact O-N 2.87Å; S62-S64 WeakPolarHBondContact OG-CB 3.34Å; S62-S64 PolarHBondContact OG-N 3.24Å; S62-S64 PolarHBondContact OG-OG 3.14Å; S64-Q68 WeakPolarHBondContact O-CB 3.12Å; S64-Q68 PolarHBondContact O-N 3.21Å
65	Q	91.1	Very high	89.6	Confident	140 Å²	140	47.7 Å²	47.7	65%	0.654	23%	0.229	S	C	*	.	H	α-helix	trans	-68.9	-35.9	176.4	-64.5	-177.2	2.5	0	0	113	A59 G63 K69	A59-Q65 HydrophobicContact CB-CG 4.41Å; G63-Q65 VanDerWaalsContact C-N 3.25Å; G63-Q65 PolarHBondContact O-N 3.43Å; G63-Q65 VanDerWaalsContact O-N 3.14Å; Q65-K69 WeakPolarHBondContact O-CB 3.4Å; Q65-K69 PolarHBondContact O-N 2.82Å; Q65-K69 VanDerWaalsContact O-N 3.09Å
66	L	92.3	Very high	88.9	Confident	51 Å²	51	56.4 Å²	56.4	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-67.3	-47.2	175.6	175.9	61.7	0	0	0	110	G63 K69 K70 L693 Y696	G63-L66 WeakPolarHBondContact O-CB 3.3Å; G63-L66 PolarHBondContact O-N 3.18Å; L66-K69 WeakPolarHBondContact O-CB 2.76Å; L66-K69 PolarHBondContact O-N 3.42Å; L66-K70 WeakPolarHBondContact O-CG 3.42Å; L66-K70 PolarHBondContact O-N 2.98Å; L66-L693 HydrophobicContact CD2-CD2 4.32Å; L66-Y696 HydrophobicContact CD2-CD1 4.31Å; L66-Y696 HydrophobicContact CD2-CD2 3.99Å; L66-Y696 HydrophobicContact CD2-CG 3.73Å
67	L	91.4	Very high	88.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-44.3	178.7	-173.2	60.1	0	0	0	112.1	G63 K69 K70 Y71 T690 L693 L717 I792 A804 V806	G63-L67 PolarHBondContact O-N 3.34Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 3.32Å; L67-K70 PolarHBondContact O-N 3.42Å; L67-K70 VanDerWaalsContact O-N 3.08Å; L67-Y71 HydrophobicContact CD1-CD2 3.86Å; L67-Y71 HydrophobicContact CD1-CE2 3.55Å; L67-Y71 HydrophobicContact CD2-CE2 4.35Å; L67-Y71 HydrophobicContact CG-CD2 3.92Å; L67-Y71 HydrophobicContact CG-CE2 3.81Å; L67-Y71 WeakPolarHBondContact O-CD2 3.25Å; L67-Y71 PolarHBondContact O-N 3.15Å; L67-T690 HydrophobicContact CD1-CG2 4.17Å; L67-L693 HydrophobicContact CB-CD1 4.29Å; L67-L693 HydrophobicContact CD1-CD1 3.95Å; L67-L693 HydrophobicContact CD2-CD1 4.07Å; L67-L693 HydrophobicContact CG-CD1 4.34Å; L67-L717 HydrophobicContact CD1-CD1 4.43Å; L67-L717 HydrophobicContact CD2-CD1 3.47Å; L67-L717 VanDerWaalsContact CD2-CD1 3.47Å; L67-I792 HydrophobicContact CD2-CG1 3.88Å; L67-I792 HydrophobicContact CG-CG1 4.29Å; L67-A804 HydrophobicContact CD2-CB 4.26Å; L67-V806 HydrophobicContact CD2-CB 4.39Å
68	Q	89.8	Confident	87.7	Confident	42 Å²	42	55.8 Å²	55.8	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-37.5	174.6	-178.5	59.7	81.7	0	0	112.2	S64 K72 I792 Q793	S64-Q68 WeakPolarHBondContact O-CB 3.12Å; S64-Q68 PolarHBondContact O-N 3.21Å; Q68-K72 WeakPolarHBondContact O-CG 3.33Å; Q68-K72 PolarHBondContact O-N 3.5Å; Q68-I792 HydrophobicContact CB-CD1 4.38Å; Q68-I792 HydrophobicContact CB-CG2 4.35Å; Q68-Q793 PolarHBondContact NE2-O 2.88Å; Q68-Q793 PolarHBondContact OE1-O 2.89Å
69	K	90	Very high	87.3	Confident	129 Å²	129	64.5 Å²	64.5	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-68.6	-42.1	173.2	-173.4	-171.6	175.5	-160.2	0	111.4	Q65 L66 L67 K72 E73	Q65-K69 WeakPolarHBondContact O-CB 3.4Å; Q65-K69 PolarHBondContact O-N 2.82Å; Q65-K69 VanDerWaalsContact O-N 3.09Å; L66-K69 WeakPolarHBondContact O-CB 2.76Å; L66-K69 PolarHBondContact O-N 3.42Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 3.32Å; K69-K72 CarbonylContact O-C 3.35Å; K69-K72 PolarHBondContact O-N 3.42Å; K69-E73 WeakPolarHBondContact CE-OE1 3.49Å; K69-E73 IonicContact NZ-OE1 3.68Å; K69-E73 WeakPolarHBondContact O-CG 3.42Å; K69-E73 PolarHBondContact O-N 2.89Å
70	K	89.8	Confident	86.9	Confident	52 Å²	52	66.8 Å²	66.8	23%	0.226	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-48	179.6	-76.5	-74	164.1	-162.5	0	112.6	L66 L67 K72 E73 F74 V689 P692	L66-K70 WeakPolarHBondContact O-CG 3.42Å; L66-K70 PolarHBondContact O-N 2.98Å; L67-K70 PolarHBondContact O-N 3.42Å; L67-K70 VanDerWaalsContact O-N 3.08Å; K70-K72 VanDerWaalsContact C-N 3.25Å; K70-K72 PolarHBondContact O-N 3.02Å; K70-E73 WeakPolarHBondContact CD-OE2 3.47Å; K70-E73 WeakPolarHBondContact CE-OE2 3.42Å; K70-E73 IonicContact NZ-OE2 2.78Å; K70-E73 PolarHBondContact NZ-OE2 2.98Å; K70-E73 WeakPolarHBondContact O-CB 3.19Å; K70-E73 PolarHBondContact O-N 2.68Å; K70-F74 WeakPolarHBondContact O-CD2 3.36Å; K70-F74 PolarHBondContact O-N 3Å; K70-V689 HydrophobicContact CB-CG1 4.26Å; K70-P692 HydrophobicContact CD-CG 4.06Å
71	Y	87.3	Confident	86.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-35.9	173.5	-82.2	-72.5	0	0	0	112.5	L67 F74 E75 F618 F685 D686 V689 I792 L794 A803 A804	L67-Y71 HydrophobicContact CD1-CD2 3.86Å; L67-Y71 HydrophobicContact CD1-CE2 3.55Å; L67-Y71 HydrophobicContact CD2-CE2 4.35Å; L67-Y71 HydrophobicContact CG-CD2 3.92Å; L67-Y71 HydrophobicContact CG-CE2 3.81Å; L67-Y71 WeakPolarHBondContact O-CD2 3.25Å; L67-Y71 PolarHBondContact O-N 3.15Å; Y71-F74 PolarHBondContact O-N 3.4Å; Y71-E75 PolarHBondContact O-N 3.04Å; Y71-F618 HydrophobicContact CE1-CZ 4.49Å; Y71-F685 HydrophobicContact CE1-CE1 4.23Å; Y71-D686 PolarHBondContact OH-OD1 2.94Å; Y71-V689 HydrophobicContact CD1-CG1 3.76Å; Y71-V689 HydrophobicContact CD2-CG1 3.99Å; Y71-V689 HydrophobicContact CE1-CB 4.33Å; Y71-V689 HydrophobicContact CE1-CG1 3.67Å; Y71-V689 HydrophobicContact CE2-CG1 3.93Å; Y71-V689 HydrophobicContact CG-CG1 3.91Å; Y71-I792 HydrophobicContact CD2-CG2 3.83Å; Y71-I792 HydrophobicContact CE2-CG2 4.43Å; Y71-L794 HydrophobicContact CD1-CD1 4.16Å; Y71-L794 WeakPolarHBondContact O-CD1 3.35Å; Y71-A803 HydrophobicContact CD1-CB 3.91Å; Y71-A803 HydrophobicContact CD2-CB 4.36Å; Y71-A803 HydrophobicContact CE1-CB 3.62Å; Y71-A803 HydrophobicContact CE2-CB 4.07Å; Y71-A803 HydrophobicContact CG-CB 4.28Å; Y71-A804 HydrophobicContact CE2-CB 4.18Å
72	K	85.6	Confident	86.2	Confident	68 Å²	68	72.6 Å²	72.6	30%	0.296	34%	0.339	S	S	.	.	H	α-helix	trans	-70.9	-27.8	173.4	-71.4	-171.7	179.6	-165.9	0	114.2	Q68 K69 K70 F74 E75 D796	Q68-K72 WeakPolarHBondContact O-CG 3.33Å; Q68-K72 PolarHBondContact O-N 3.5Å; K69-K72 CarbonylContact O-C 3.35Å; K69-K72 PolarHBondContact O-N 3.42Å; K70-K72 VanDerWaalsContact C-N 3.25Å; K70-K72 PolarHBondContact O-N 3.02Å; K72-F74 VanDerWaalsContact C-N 3.28Å; K72-F74 PolarHBondContact O-N 3.46Å; K72-E75 VanDerWaalsContact O-CB 3.28Å; K72-E75 WeakPolarHBondContact O-CB 3.23Å; K72-E75 PolarHBondContact O-N 3.44Å; K72-D796 IonicContact NZ-OD1 3.71Å; K72-D796 PolarHBondContact NZ-OD1 2.98Å; K72-D796 IonicContact NZ-OD2 3.19Å; K72-D796 PolarHBondContact NZ-OD2 2.98Å
73	E	87.3	Confident	85.9	Confident	94 Å²	94	73.9 Å²	73.9	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-33.7	172.8	-73.8	170.4	-169.9	0	0	111.5	K69 K70	K69-E73 WeakPolarHBondContact CE-OE1 3.49Å; K69-E73 IonicContact NZ-OE1 3.68Å; K69-E73 WeakPolarHBondContact O-CG 3.42Å; K69-E73 PolarHBondContact O-N 2.89Å; K70-E73 WeakPolarHBondContact CD-OE2 3.47Å; K70-E73 WeakPolarHBondContact CE-OE2 3.42Å; K70-E73 IonicContact NZ-OE2 2.78Å; K70-E73 PolarHBondContact NZ-OE2 2.98Å; K70-E73 WeakPolarHBondContact O-CB 3.19Å; K70-E73 PolarHBondContact O-N 2.68Å
74	F	82.2	Confident	85.7	Confident	72 Å²	72	78.1 Å²	78.1	32%	0.316	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.9	177.5	-72.2	-83.9	0	0	0	114.9	K70 Y71 K72 R76 G77 V78 F685 V689	K70-F74 WeakPolarHBondContact O-CD2 3.36Å; K70-F74 PolarHBondContact O-N 3Å; Y71-F74 PolarHBondContact O-N 3.4Å; K72-F74 VanDerWaalsContact C-N 3.28Å; K72-F74 PolarHBondContact O-N 3.46Å; F74-R76 PolarHBondContact O-N 3.13Å; F74-G77 PolarHBondContact O-N 2.96Å; F74-V78 HydrophobicContact CB-CG2 4.34Å; F74-V78 WeakPolarHBondContact O-CG2 3.39Å; F74-V78 PolarHBondContact O-N 3.11Å; F74-F685 HydrophobicContact CB-CE2 4.25Å; F74-F685 HydrophobicContact CB-CZ 4.05Å; F74-F685 HydrophobicContact CD1-CE2 4.17Å; F74-F685 HydrophobicContact CG-CE2 4.26Å; F74-F685 HydrophobicContact CG-CZ 4.39Å; F74-V689 HydrophobicContact CD2-CG2 3.76Å; F74-V689 HydrophobicContact CE2-CG2 3.92Å; F74-V689 HydrophobicContact CG-CG2 4.25Å
75	E	78.1	Confident	85.6	Confident	94 Å²	94	77.7 Å²	77.7	44%	0.439	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-41.4	-176.1	-178.7	-179.7	-175.9	0	0	113.9	Y71 K72 G77 L795	Y71-E75 PolarHBondContact O-N 3.04Å; K72-E75 VanDerWaalsContact O-CB 3.28Å; K72-E75 WeakPolarHBondContact O-CB 3.23Å; K72-E75 PolarHBondContact O-N 3.44Å; E75-G77 VanDerWaalsContact C-N 3.35Å; E75-G77 PolarHBondContact O-N 3.27Å; E75-L795 HydrophobicContact CG-CD2 3.62Å; E75-L795 WeakPolarHBondContact OE1-CD2 3.43Å
76	R	76.1	Confident	85.6	Confident	253 Å²	253	73.4 Å²	73.4	96%	0.955	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.9	-178.6	-64.1	-177.5	180	179	0.5	114.8	F74	F74-R76 PolarHBondContact O-N 3.13Å
77	G	76.7	Confident	85.7	Confident	58 Å²	58	79 Å²	79	60%	0.598	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-19.8	177.8	0	0	0	0	0	113.4	F74 E75	F74-G77 PolarHBondContact O-N 2.96Å; E75-G77 VanDerWaalsContact C-N 3.35Å; E75-G77 PolarHBondContact O-N 3.27Å
78	V	81.7	Confident	85.7	Confident	18 Å²	18	79.5 Å²	79.5	11%	0.109	37%	0.367	C	S	.	.			trans	-89.9	140.6	-174.9	176.6	0	0	0	0	111.2	F74 F618 R619 F685 L794	F74-V78 HydrophobicContact CB-CG2 4.34Å; F74-V78 WeakPolarHBondContact O-CG2 3.39Å; F74-V78 PolarHBondContact O-N 3.11Å; V78-F618 HydrophobicContact CG1-CB 3.61Å; V78-F618 HydrophobicContact CG1-CD2 3.75Å; V78-F618 HydrophobicContact CG1-CG 4.11Å; V78-R619 WeakPolarHBondContact CA-O 3.19Å; V78-F685 HydrophobicContact CG2-CE1 4.24Å; V78-F685 HydrophobicContact CG2-CE2 3.97Å; V78-F685 HydrophobicContact CG2-CZ 3.45Å; V78-F685 VanDerWaalsContact CG2-CZ 3.45Å; V78-L794 HydrophobicContact CB-CD2 4.3Å; V78-L794 HydrophobicContact CG1-CD2 3.63Å
79	R	83.3	Confident	85.9	Confident	184 Å²	184	77.6 Å²	77.6	69%	0.694	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.9	174.4	-63.1	-178.6	-178.4	-175.9	1.1	110.3	F618 R619	R79-F618 CarbonylContact O-C 3.58Å; R79-F618 VanDerWaalsContact O-CA 3.27Å; R79-F618 WeakPolarHBondContact O-CA 3.49Å; R79-R619 PolarHBondContact N-O 3.24Å; R79-R619 PolarHBondContact O-N 3.19Å
80	V	83.5	Confident	86.1	Confident	57 Å²	57	76.3 Å²	76.3	35%	0.345	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.8	172.8	-176.8	0	0	0	0	109.7	F617 F618 L794 L795	V80-F617 CarbonylContact C-O 3.59Å; V80-F617 WeakPolarHBondContact CA-O 3.46Å; V80-F618 HydrophobicContact CG2-CB 4.28Å; V80-L794 HydrophobicContact CG2-CD2 4.27Å; V80-L795 HydrophobicContact CG2-CD1 4.04Å
81	E	84.1	Confident	86.2	Confident	92 Å²	92	79.3 Å²	79.3	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.3	179	-62.7	-174.1	179.8	0	0	110.1	F617	E81-F617 PolarHBondContact N-O 2.68Å; E81-F617 PolarHBondContact O-N 2.7Å
82	E	84.6	Confident	86.5	Confident	107 Å²	107	79.5 Å²	79.5	50%	0.5	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.1	173.2	-174	172.8	157.1	0	0	109	D84 K615 Y616	E82-D84 PolarHBondContact O-N 3.43Å; E82-K615 VanDerWaalsContact CD-CE 3.41Å; E82-K615 HydrophobicContact CG-CG 4.25Å; E82-K615 WeakPolarHBondContact OE1-CE 3.2Å; E82-K615 IonicContact OE1-NZ 2.71Å; E82-K615 PolarHBondContact OE1-NZ 3.3Å; E82-Y616 HydrophobicContact CB-CD1 4.15Å; E82-Y616 HydrophobicContact CB-CE1 4.15Å; E82-Y616 HydrophobicContact CG-CD1 4.27Å; E82-Y616 HydrophobicContact CG-CE1 4.01Å
83	I	85.4	Confident	86.9	Confident	27 Å²	27	76.5 Å²	76.5	14%	0.138	35%	0.351	C	S	.	.			trans	-79.3	111.9	179.9	-62.9	-174.2	0	0	0	109.1	G85 L88 K506 L609 K615 F617	I83-G85 PolarHBondContact O-N 3.13Å; I83-G85 VanDerWaalsContact O-N 3.07Å; I83-L88 HydrophobicContact CG2-CD2 4.08Å; I83-K506 WeakPolarHBondContact CD1-O 3.49Å; I83-L609 HydrophobicContact CG2-CD1 4.28Å; I83-K615 PolarHBondContact N-O 3.07Å; I83-F617 HydrophobicContact CD1-CB 3.85Å; I83-F617 HydrophobicContact CG1-CB 4.02Å
84	D	88.4	Confident	87.2	Confident	91 Å²	91	77.4 Å²	77.4	49%	0.487	35%	0.353	S	S	.	.			trans	-70.1	97.1	165.6	177.1	-8.1	0	0	0	109.3	E82 L86 R87 L88	E82-D84 PolarHBondContact O-N 3.43Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 3.37Å; D84-L86 WeakPolarHBondContact OD1-CB 3.2Å; D84-L86 PolarHBondContact OD1-N 3.14Å; D84-R87 HydrophobicContact CB-CB 3.95Å; D84-R87 VanDerWaalsContact CG-CB 3.41Å; D84-R87 PolarHBondContact O-N 3.5Å; D84-R87 PolarHBondContact OD1-N 2.9Å; D84-R87 VanDerWaalsContact OD2-CB 3.25Å; D84-R87 WeakPolarHBondContact OD2-CB 3.49Å; D84-L88 PolarHBondContact O-N 3.44Å
85	G	88.7	Confident	87.6	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-35.8	178.8	0	0	0	0	0	113.1	I83 L88 V89 Y594	I83-G85 PolarHBondContact O-N 3.13Å; I83-G85 VanDerWaalsContact O-N 3.07Å; G85-L88 WeakPolarHBondContact O-CB 3.31Å; G85-L88 PolarHBondContact O-N 3.14Å; G85-V89 WeakPolarHBondContact O-CG2 3.43Å; G85-V89 PolarHBondContact O-N 3.46Å; G85-Y594 VanDerWaalsContact C-CD1 3.47Å
86	L	92.2	Very high	88.3	Confident	51 Å²	51	73.2 Å²	73.2	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-68.8	-39.9	179.9	-169.9	69.3	0	0	0	111.3	D84 K90 T569 T571 Y594	D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 3.37Å; D84-L86 WeakPolarHBondContact OD1-CB 3.2Å; D84-L86 PolarHBondContact OD1-N 3.14Å; L86-K90 WeakPolarHBondContact O-CB 3.26Å; L86-K90 VanDerWaalsContact O-CG 3.31Å; L86-K90 WeakPolarHBondContact O-CG 3.46Å; L86-K90 PolarHBondContact O-N 3.39Å; L86-K90 VanDerWaalsContact O-N 3.17Å; L86-T569 HydrophobicContact CD1-CG2 3.84Å; L86-T571 HydrophobicContact CD1-CG2 4.43Å; L86-Y594 HydrophobicContact CB-CD1 4.12Å; L86-Y594 VanDerWaalsContact N-CD1 3.27Å
87	R	92.6	Very high	89.2	Confident	167 Å²	167	64.5 Å²	64.5	63%	0.63	31%	0.307	S	S	*	.	H	α-helix	trans	-70.6	-31.3	173.4	-174.6	178.3	-177.5	-162.6	0.4	112.3	D84 R91	D84-R87 HydrophobicContact CB-CB 3.95Å; D84-R87 VanDerWaalsContact CG-CB 3.41Å; D84-R87 PolarHBondContact O-N 3.5Å; D84-R87 PolarHBondContact OD1-N 2.9Å; D84-R87 VanDerWaalsContact OD2-CB 3.25Å; D84-R87 WeakPolarHBondContact OD2-CB 3.49Å; R87-R91 PolarHBondContact O-N 2.95Å
88	L	91.4	Very high	89.9	Confident	13 Å²	13	66.1 Å²	66.1	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-55.5	173.6	-179.2	60.5	0	0	0	110.6	I83 D84 G85 K90 R91 L92 L507	I83-L88 HydrophobicContact CG2-CD2 4.08Å; D84-L88 PolarHBondContact O-N 3.44Å; G85-L88 WeakPolarHBondContact O-CB 3.31Å; G85-L88 PolarHBondContact O-N 3.14Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 3.08Å; L88-R91 WeakPolarHBondContact O-CA 3.36Å; L88-R91 WeakPolarHBondContact O-CB 3.47Å; L88-R91 PolarHBondContact O-N 3.35Å; L88-L92 HydrophobicContact CD1-CD1 4.3Å; L88-L92 HydrophobicContact CD1-CG 4.27Å; L88-L92 HydrophobicContact CG-CD1 4.17Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 2.93Å; L88-L507 HydrophobicContact CD2-CD2 3.94Å
89	V	94	Very high	90.3	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-43.7	-179	179.5	0	0	0	0	111.7	G85 R91 L92 A93 T596 L605 V607	G85-V89 WeakPolarHBondContact O-CG2 3.43Å; G85-V89 PolarHBondContact O-N 3.46Å; V89-R91 PolarHBondContact O-N 3.18Å; V89-L92 PolarHBondContact O-N 3.45Å; V89-A93 WeakPolarHBondContact O-CB 3.45Å; V89-A93 PolarHBondContact O-N 3.48Å; V89-T596 HydrophobicContact CG1-CG2 3.68Å; V89-L605 HydrophobicContact CG1-CD2 4.24Å; V89-L605 HydrophobicContact CG1-CG 4.33Å; V89-V607 HydrophobicContact CG2-CB 3.51Å; V89-V607 HydrophobicContact CG2-CG2 3.57Å
90	K	94.2	Very high	90.8	Very high	102 Å²	102	57.6 Å²	57.6	44%	0.443	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-31.1	175.4	-74.7	175	178.6	178.3	0	113.6	L86 L88 K94	L86-K90 WeakPolarHBondContact O-CB 3.26Å; L86-K90 VanDerWaalsContact O-CG 3.31Å; L86-K90 WeakPolarHBondContact O-CG 3.46Å; L86-K90 PolarHBondContact O-N 3.39Å; L86-K90 VanDerWaalsContact O-N 3.17Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 3.08Å; K90-K94 PolarHBondContact O-N 2.88Å
91	R	93	Very high	91.2	Very high	116 Å²	116	60.2 Å²	60.2	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-73.7	-44.5	174.9	-167.2	-171.4	-53	-172.1	6.5	111	R87 L88 V89 K94 N95	R87-R91 PolarHBondContact O-N 2.95Å; L88-R91 WeakPolarHBondContact O-CA 3.36Å; L88-R91 WeakPolarHBondContact O-CB 3.47Å; L88-R91 PolarHBondContact O-N 3.35Å; V89-R91 PolarHBondContact O-N 3.18Å; R91-K94 PolarHBondContact O-N 3.33Å; R91-N95 PolarHBondContact O-N 3.38Å; R91-N95 PolarHBondContact O-OD1 3.23Å
92	L	92.6	Very high	91.6	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-45.9	178.6	-61.4	-179.9	0	0	0	111.4	L88 V89 K94 N95 M96 P503 L605 V607	L88-L92 HydrophobicContact CD1-CD1 4.3Å; L88-L92 HydrophobicContact CD1-CG 4.27Å; L88-L92 HydrophobicContact CG-CD1 4.17Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 2.93Å; V89-L92 PolarHBondContact O-N 3.45Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 3.13Å; L92-N95 PolarHBondContact O-N 2.7Å; L92-N95 VanDerWaalsContact O-N 3.12Å; L92-M96 WeakPolarHBondContact O-CG 3.44Å; L92-M96 PolarHBondContact O-N 3.37Å; L92-P503 VanDerWaalsContact CD2-CD 3.47Å; L92-P503 HydrophobicContact CD2-CG 4.19Å; L92-L605 HydrophobicContact CB-CD2 3.58Å; L92-V607 HydrophobicContact CD1-CG2 4.15Å
93	A	94.3	Very high	91.9	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-38.3	175.3	0	0	0	0	0	112.2	V89 M96 E97 T596 I598 L605	V89-A93 WeakPolarHBondContact O-CB 3.45Å; V89-A93 PolarHBondContact O-N 3.48Å; A93-M96 PolarHBondContact O-N 2.71Å; A93-E97 VanDerWaalsContact O-CB 3.29Å; A93-E97 WeakPolarHBondContact O-CB 3.19Å; A93-E97 PolarHBondContact O-N 3.41Å; A93-T596 HydrophobicContact CB-CG2 3.5Å; A93-T596 VanDerWaalsContact CB-CG2 3.5Å; A93-I598 HydrophobicContact CB-CG1 4.31Å; A93-L605 HydrophobicContact CB-CD2 4.2Å
94	K	94.3	Very high	92.3	Very high	113 Å²	113	56 Å²	56	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-42.2	173.9	-168.8	-175.9	-178.2	-108.2	0	112.7	K90 R91 L92 M96 E97 E98	K90-K94 PolarHBondContact O-N 2.88Å; R91-K94 PolarHBondContact O-N 3.33Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 3.13Å; K94-M96 VanDerWaalsContact C-N 3.3Å; K94-M96 PolarHBondContact O-N 2.71Å; K94-E97 WeakPolarHBondContact O-CB 3.28Å; K94-E97 PolarHBondContact O-N 3.02Å; K94-E98 WeakPolarHBondContact CE-OE1 3.41Å; K94-E98 IonicContact NZ-OE1 2.72Å; K94-E98 PolarHBondContact NZ-OE1 2.98Å; K94-E98 WeakPolarHBondContact O-CG 3.46Å; K94-E98 PolarHBondContact O-N 3.34Å
95	N	91.3	Very high	92.6	Very high	74 Å²	74	56.4 Å²	56.4	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-41.1	176.6	-69	4.9	0	0	0	111	R91 L92 E98 M99	R91-N95 PolarHBondContact O-N 3.38Å; R91-N95 PolarHBondContact O-OD1 3.23Å; L92-N95 PolarHBondContact O-N 2.7Å; L92-N95 VanDerWaalsContact O-N 3.12Å; N95-E98 PolarHBondContact O-N 3Å; N95-M99 PolarHBondContact O-N 3.47Å; N95-M99 VanDerWaalsContact O-N 3.14Å
96	M	92.6	Very high	92.8	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-40.8	174.8	-69.1	176.9	173.5	0	0	112.3	L92 A93 K94 E98 M99 F100 T501 I502 I598 L605	L92-M96 WeakPolarHBondContact O-CG 3.44Å; L92-M96 PolarHBondContact O-N 3.37Å; A93-M96 PolarHBondContact O-N 2.71Å; K94-M96 VanDerWaalsContact C-N 3.3Å; K94-M96 PolarHBondContact O-N 2.71Å; M96-E98 PolarHBondContact O-N 2.66Å; M96-M99 PolarHBondContact O-N 2.91Å; M96-F100 HydrophobicContact CB-CD2 4.2Å; M96-F100 HydrophobicContact CB-CE2 4.08Å; M96-F100 WeakPolarHBondContact O-CB 3.29Å; M96-F100 WeakPolarHBondContact O-CD2 3.23Å; M96-F100 WeakPolarHBondContact O-CG 3.43Å; M96-F100 PolarHBondContact O-N 2.99Å; M96-T501 VanDerWaalsContact CE-OG1 3.22Å; M96-T501 WeakPolarHBondContact CE-OG1 3.25Å; M96-I502 HydrophobicContact CE-CD1 3.66Å; M96-I502 HydrophobicContact CE-CG1 3.64Å; M96-I598 HydrophobicContact CB-CD1 4.11Å; M96-I598 HydrophobicContact CB-CG2 4.42Å; M96-I598 HydrophobicContact SD-CD1 3.79Å; M96-L605 HydrophobicContact CE-CD1 3.99Å; M96-L605 HydrophobicContact CE-CD2 4.48Å; M96-L605 HydrophobicContact SD-CD1 3.91Å; M96-L605 HydrophobicContact SD-CD2 3.96Å; M96-L605 HydrophobicContact SD-CG 4.48Å
97	E	93.8	Very high	92.9	Very high	69 Å²	69	53.9 Å²	53.9	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-54.7	-49.4	172.1	171.5	-177.3	-175.1	0	0	110.9	A93 K94 M99 H101 I598 K599	A93-E97 VanDerWaalsContact O-CB 3.29Å; A93-E97 WeakPolarHBondContact O-CB 3.19Å; A93-E97 PolarHBondContact O-N 3.41Å; K94-E97 WeakPolarHBondContact O-CB 3.28Å; K94-E97 PolarHBondContact O-N 3.02Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 3.44Å; E97-H101 WeakPolarHBondContact O-CB 3.33Å; E97-H101 PolarHBondContact O-N 3.33Å; E97-I598 HydrophobicContact CB-CG2 4.32Å; E97-K599 HydrophobicContact CG-CB 4.29Å
98	E	91.9	Very high	93	Very high	93 Å²	93	51.6 Å²	51.6	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-37.3	178.3	-71.7	178.9	-160.2	0	0	112.8	K94 N95 M96 K102	K94-E98 WeakPolarHBondContact CE-OE1 3.41Å; K94-E98 IonicContact NZ-OE1 2.72Å; K94-E98 PolarHBondContact NZ-OE1 2.98Å; K94-E98 WeakPolarHBondContact O-CG 3.46Å; K94-E98 PolarHBondContact O-N 3.34Å; N95-E98 PolarHBondContact O-N 3Å; M96-E98 PolarHBondContact O-N 2.66Å; E98-K102 WeakPolarHBondContact O-CG 3.43Å; E98-K102 PolarHBondContact O-N 3.07Å
99	M	90.6	Very high	93.2	Very high	19 Å²	19	53.8 Å²	53.8	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-54.7	175.7	176.8	-155.6	73.9	0	0	111.5	N95 M96 E97 H101 K102 K103 E497 L498 T501	N95-M99 PolarHBondContact O-N 3.47Å; N95-M99 VanDerWaalsContact O-N 3.14Å; M96-M99 PolarHBondContact O-N 2.91Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 3.44Å; M99-H101 PolarHBondContact O-N 2.91Å; M99-K102 WeakPolarHBondContact O-CB 3.43Å; M99-K102 PolarHBondContact O-N 3.07Å; M99-K102 VanDerWaalsContact O-N 3.09Å; M99-K103 PolarHBondContact O-N 2.77Å; M99-E497 HydrophobicContact SD-CG 4.29Å; M99-L498 HydrophobicContact CE-CD2 3.24Å; M99-L498 HydrophobicContact SD-CD2 4.11Å; M99-T501 HydrophobicContact SD-CG2 4.17Å
100	F	92.4	Very high	93.3	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-35.6	178.7	-71.7	-52.7	0	0	0	112.1	M96 K102 K103 A104 W447 V493 L498 I598 T601 F603	M96-F100 HydrophobicContact CB-CD2 4.2Å; M96-F100 HydrophobicContact CB-CE2 4.08Å; M96-F100 WeakPolarHBondContact O-CB 3.29Å; M96-F100 WeakPolarHBondContact O-CD2 3.23Å; M96-F100 WeakPolarHBondContact O-CG 3.43Å; M96-F100 PolarHBondContact O-N 2.99Å; F100-K102 PolarHBondContact O-N 3.24Å; F100-K103 PolarHBondContact O-N 3.17Å; F100-A104 PolarHBondContact O-N 3.24Å; F100-W447 HydrophobicContact CB-CH2 3.8Å; F100-W447 HydrophobicContact CB-CZ2 3.84Å; F100-W447 HydrophobicContact CD1-CE3 4.27Å; F100-W447 AromaticContact CD1-CH2 3.28Å; F100-W447 HydrophobicContact CD1-CH2 3.28Å; F100-W447 HydrophobicContact CD1-CZ2 4.04Å; F100-W447 AromaticContact CD1-CZ3 3.4Å; F100-W447 HydrophobicContact CD1-CZ3 3.4Å; F100-W447 VanDerWaalsContact CD1-CZ3 3.4Å; F100-W447 HydrophobicContact CE1-CE3 4.36Å; F100-W447 HydrophobicContact CE1-CH2 4.11Å; F100-W447 AromaticContact CE1-CZ3 3.75Å; F100-W447 HydrophobicContact CE1-CZ3 3.75Å; F100-W447 AromaticContact CG-CH2 3.9Å; F100-W447 HydrophobicContact CG-CH2 3.9Å; F100-W447 HydrophobicContact CG-CZ2 4.24Å; F100-W447 HydrophobicContact CG-CZ3 4.35Å; F100-V493 HydrophobicContact CE1-CG1 4.46Å; F100-L498 HydrophobicContact CE1-CD2 3.71Å; F100-L498 HydrophobicContact CE2-CD2 4.37Å; F100-L498 HydrophobicContact CZ-CD1 4.32Å; F100-L498 HydrophobicContact CZ-CD2 3.47Å; F100-L498 VanDerWaalsContact CZ-CD2 3.47Å; F100-I598 HydrophobicContact CD2-CG2 3.98Å; F100-I598 HydrophobicContact CE2-CD1 4.05Å; F100-I598 HydrophobicContact CE2-CG2 4.26Å; F100-T601 HydrophobicContact CB-CG2 3.76Å; F100-T601 HydrophobicContact CD2-CG2 3.75Å; F100-T601 HydrophobicContact CE2-CG2 4.46Å; F100-T601 HydrophobicContact CG-CG2 3.84Å; F100-F603 HydrophobicContact CE1-CE2 4.3Å; F100-F603 HydrophobicContact CE2-CD2 4.1Å; F100-F603 AromaticContact CZ-CD2 3.94Å; F100-F603 HydrophobicContact CZ-CD2 3.94Å; F100-F603 HydrophobicContact CZ-CE2 4.05Å
101	H	93.1	Very high	93.4	Very high	112 Å²	112	49 Å²	49	52%	0.519	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-39.4	175.6	-168.8	71.3	0	0	0	112.6	E97 M99 A104 Q105	E97-H101 WeakPolarHBondContact O-CB 3.33Å; E97-H101 PolarHBondContact O-N 3.33Å; M99-H101 PolarHBondContact O-N 2.91Å; H101-A104 PolarHBondContact O-N 3.09Å; H101-Q105 PolarHBondContact CD2-NE2 2.84Å; H101-Q105 PolarHBondContact NE2-NE2 2.91Å; H101-Q105 WeakPolarHBondContact O-CB 3.46Å; H101-Q105 WeakPolarHBondContact O-CG 3.47Å; H101-Q105 PolarHBondContact O-N 3.42Å
102	K	91.6	Very high	93.4	Very high	123 Å²	123	48.4 Å²	48.4	54%	0.535	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-43.3	173.3	-70.6	168.9	-177.8	178.1	0	111.8	E98 M99 F100 Q105 A106	E98-K102 WeakPolarHBondContact O-CG 3.43Å; E98-K102 PolarHBondContact O-N 3.07Å; M99-K102 WeakPolarHBondContact O-CB 3.43Å; M99-K102 PolarHBondContact O-N 3.07Å; M99-K102 VanDerWaalsContact O-N 3.09Å; F100-K102 PolarHBondContact O-N 3.24Å; K102-Q105 PolarHBondContact O-N 3.11Å; K102-A106 PolarHBondContact O-N 2.82Å
103	K	92.5	Very high	93.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-46.1	177.2	-54.7	-60.7	179.4	-162.5	0	111.3	M99 F100 Q105 A106 M107 D201 S203 L204 W447 V468 V493 E497	M99-K103 PolarHBondContact O-N 2.77Å; F100-K103 PolarHBondContact O-N 3.17Å; K103-Q105 PolarHBondContact O-N 3.26Å; K103-A106 WeakPolarHBondContact O-CB 3.42Å; K103-A106 PolarHBondContact O-N 2.97Å; K103-A106 VanDerWaalsContact O-N 3.11Å; K103-M107 PolarHBondContact O-N 3.43Å; K103-D201 WeakPolarHBondContact CD-OD2 3.26Å; K103-D201 WeakPolarHBondContact CE-OD2 3.31Å; K103-D201 IonicContact NZ-OD1 2.67Å; K103-D201 PolarHBondContact NZ-OD1 3.12Å; K103-D201 IonicContact NZ-OD2 3.66Å; K103-D201 PolarHBondContact NZ-OD2 3.02Å; K103-S203 PolarHBondContact NZ-OG 2.7Å; K103-L204 HydrophobicContact CD-CD2 3.56Å; K103-L204 HydrophobicContact CD-CG 4.39Å; K103-W447 HydrophobicContact CB-CH2 4.34Å; K103-V468 HydrophobicContact CB-CG1 4.14Å; K103-V493 HydrophobicContact CB-CG2 4.34Å; K103-V493 HydrophobicContact CD-CG2 4.27Å; K103-V493 HydrophobicContact CG-CG2 3.88Å; K103-E497 IonicContact NZ-OE1 2.77Å
104	A	93.4	Very high	93.6	Very high	14 Å²	14	49 Å²	49	12%	0.116	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-38.8	174.7	0	0	0	0	0	112.9	F100 H101 A106 M107 K108 T445 V468 M470	F100-A104 PolarHBondContact O-N 3.24Å; H101-A104 PolarHBondContact O-N 3.09Å; A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 3.46Å; A104-M107 PolarHBondContact O-N 3.12Å; A104-K108 PolarHBondContact O-N 3.46Å; A104-T445 HydrophobicContact CB-CG2 4.11Å; A104-V468 HydrophobicContact CB-CG2 4.49Å; A104-M470 HydrophobicContact CB-CE 4.4Å
105	Q	93.6	Very high	93.6	Very high	98 Å²	98	44.7 Å²	44.7	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-27.7	173.2	-75.2	-175.6	7.1	0	0	113.7	H101 K102 K103 R109	H101-Q105 PolarHBondContact CD2-NE2 2.84Å; H101-Q105 PolarHBondContact NE2-NE2 2.91Å; H101-Q105 WeakPolarHBondContact O-CB 3.46Å; H101-Q105 WeakPolarHBondContact O-CG 3.47Å; H101-Q105 PolarHBondContact O-N 3.42Å; K102-Q105 PolarHBondContact O-N 3.11Å; K103-Q105 PolarHBondContact O-N 3.26Å; Q105-R109 WeakPolarHBondContact O-CG 3.19Å; Q105-R109 PolarHBondContact O-N 2.97Å; Q105-R109 PolarHBondContact O-NE 3.27Å
106	A	94	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.5	-40.7	171.7	0	0	0	0	0	111.2	K102 K103 A104 R109 L110 N197 L204	K102-A106 PolarHBondContact O-N 2.82Å; K103-A106 WeakPolarHBondContact O-CB 3.42Å; K103-A106 PolarHBondContact O-N 2.97Å; K103-A106 VanDerWaalsContact O-N 3.11Å; A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 3.46Å; A106-R109 PolarHBondContact O-N 3.16Å; A106-L110 PolarHBondContact O-N 3.21Å; A106-N197 PolarHBondContact O-ND2 2.89Å; A106-L204 HydrophobicContact CB-CD1 4.34Å
107	M	94.5	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-43.3	177.4	-64.8	-51.5	93	0	0	112.3	K103 A104 R109 L110 V111 Q207 V468 M470 T491	K103-M107 PolarHBondContact O-N 3.43Å; A104-M107 PolarHBondContact O-N 3.12Å; M107-R109 PolarHBondContact O-N 3.45Å; M107-L110 HydrophobicContact CE-CD1 3.51Å; M107-L110 WeakPolarHBondContact O-CA 3.33Å; M107-L110 WeakPolarHBondContact O-CB 3.37Å; M107-L110 PolarHBondContact O-N 2.92Å; M107-L110 HydrophobicContact SD-CD1 4.02Å; M107-V111 PolarHBondContact O-N 2.62Å; M107-Q207 HydrophobicContact CE-CG 4.49Å; M107-V468 HydrophobicContact CG-CG1 3.88Å; M107-V468 HydrophobicContact CG-CG2 4.48Å; M107-M470 HydrophobicContact CB-CE 4.33Å; M107-M470 HydrophobicContact CB-CG 4.28Å; M107-M470 HydrophobicContact CB-SD 3.63Å; M107-T491 VanDerWaalsContact CE-CB 3.47Å; M107-T491 HydrophobicContact CE-CG2 3.44Å; M107-T491 VanDerWaalsContact CE-CG2 3.44Å; M107-T491 HydrophobicContact CG-CG2 3.93Å; M107-T491 HydrophobicContact SD-CG2 3.69Å; M107-T491 PolarHBondContact SD-N 3.01Å; M107-T491 VanDerWaalsContact SD-N 3.43Å
108	K	94.7	Very high	93.8	Very high	118 Å²	118	44.4 Å²	44.4	51%	0.513	21%	0.209	S	C	.	.	H	α-helix	trans	-55.6	-40.2	176.9	-178.6	167.3	177.1	166	0	112.6	A104 L110 V111 E112 M470	A104-K108 PolarHBondContact O-N 3.46Å; K108-L110 VanDerWaalsContact C-N 3.33Å; K108-L110 PolarHBondContact O-N 2.55Å; K108-V111 PolarHBondContact O-N 3.33Å; K108-E112 WeakPolarHBondContact CE-OE1 3.47Å; K108-E112 WeakPolarHBondContact O-CG 3.29Å; K108-E112 PolarHBondContact O-N 3.34Å; K108-M470 HydrophobicContact CB-CE 4.26Å; K108-M470 HydrophobicContact CB-SD 4.18Å; K108-M470 PolarHBondContact N-SD 3.1Å; K108-M470 VanDerWaalsContact N-SD 3.44Å
109	R	95.4	Very high	93.9	Very high	59 Å²	59	44.4 Å²	44.4	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-31.3	176	-71.9	-179.8	-72.1	138.8	-3.5	113.3	Q105 A106 M107 A113 V193 N197	Q105-R109 WeakPolarHBondContact O-CG 3.19Å; Q105-R109 PolarHBondContact O-N 2.97Å; Q105-R109 PolarHBondContact O-NE 3.27Å; A106-R109 PolarHBondContact O-N 3.16Å; M107-R109 PolarHBondContact O-N 3.45Å; R109-A113 WeakPolarHBondContact O-CB 3.26Å; R109-A113 PolarHBondContact O-N 2.73Å; R109-V193 HydrophobicContact CB-CG1 4.36Å; R109-N197 PolarHBondContact NH1-OD1 3.23Å; R109-N197 PolarHBondContact NH2-OD1 3.4Å; R109-N197 VanDerWaalsContact NH2-OD1 3.08Å
110	L	95.6	Very high	93.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.8	-38.5	172.5	-70.2	171.1	0	0	0	112.1	A106 M107 K108 A114 L190 V193 F194 V489	A106-L110 PolarHBondContact O-N 3.21Å; M107-L110 HydrophobicContact CE-CD1 3.51Å; M107-L110 WeakPolarHBondContact O-CA 3.33Å; M107-L110 WeakPolarHBondContact O-CB 3.37Å; M107-L110 PolarHBondContact O-N 2.92Å; M107-L110 HydrophobicContact SD-CD1 4.02Å; K108-L110 VanDerWaalsContact C-N 3.33Å; K108-L110 PolarHBondContact O-N 2.55Å; L110-A114 VanDerWaalsContact O-CB 3.24Å; L110-A114 WeakPolarHBondContact O-CB 3.12Å; L110-A114 PolarHBondContact O-N 3.22Å; L110-L190 HydrophobicContact CD2-CD2 4.44Å; L110-V193 HydrophobicContact CD2-CB 3.81Å; L110-V193 HydrophobicContact CD2-CG1 3.58Å; L110-V193 HydrophobicContact CG-CG1 4.17Å; L110-F194 HydrophobicContact CD1-CD1 3.95Å; L110-F194 HydrophobicContact CD1-CE1 3.7Å; L110-F194 HydrophobicContact CD2-CD1 3.55Å; L110-F194 HydrophobicContact CD2-CE1 3.6Å; L110-F194 HydrophobicContact CD2-CG 4.36Å; L110-F194 HydrophobicContact CD2-CZ 4.42Å; L110-F194 HydrophobicContact CG-CD1 4.42Å; L110-F194 HydrophobicContact CG-CE1 4.33Å; L110-V489 HydrophobicContact CB-CB 4.32Å; L110-V489 HydrophobicContact CB-CG1 4.06Å; L110-V489 HydrophobicContact CB-CG2 4.35Å
111	V	95.6	Very high	93.9	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-55.9	172.5	178.1	0	0	0	0	109.9	M107 K108 A113 A114 E115 M470 V472 V489	M107-V111 PolarHBondContact O-N 2.62Å; K108-V111 PolarHBondContact O-N 3.33Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.02Å; V111-A114 PolarHBondContact O-N 3.24Å; V111-E115 HydrophobicContact CG1-CG 4.23Å; V111-E115 WeakPolarHBondContact O-CG 3.47Å; V111-E115 PolarHBondContact O-N 3.32Å; V111-M470 HydrophobicContact CG2-CB 3.63Å; V111-M470 HydrophobicContact CG2-CG 4.47Å; V111-M470 HydrophobicContact CG2-SD 4.02Å; V111-V472 HydrophobicContact CG1-CG2 4.5Å; V111-V472 HydrophobicContact CG2-CG2 4.29Å; V111-V489 HydrophobicContact CG2-CG2 3.5Å; V111-V489 VanDerWaalsContact CG2-CG2 3.5Å
112	E	94.4	Very high	93.7	Very high	104 Å²	104	53.9 Å²	53.9	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-54	-45.1	-179.1	-72.1	168.7	177	0	0	111.7	K108 E116	K108-E112 WeakPolarHBondContact CE-OE1 3.47Å; K108-E112 WeakPolarHBondContact O-CG 3.29Å; K108-E112 PolarHBondContact O-N 3.34Å; E112-E116 WeakPolarHBondContact O-CB 3.46Å; E112-E116 PolarHBondContact O-N 3.16Å
113	A	95.6	Very high	93.4	Very high	20 Å²	20	55.5 Å²	55.5	17%	0.165	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-34.9	177.6	0	0	0	0	0	114	R109 V111 A117 L190 V193	R109-A113 WeakPolarHBondContact O-CB 3.26Å; R109-A113 PolarHBondContact O-N 2.73Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.02Å; A113-A117 VanDerWaalsContact O-CB 3.23Å; A113-A117 WeakPolarHBondContact O-CB 3.36Å; A113-A117 PolarHBondContact O-N 3.27Å; A113-L190 HydrophobicContact CB-CD2 4.05Å; A113-V193 HydrophobicContact CB-CG2 3.72Å
114	A	95.4	Very high	93.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-41.7	177.3	0	0	0	0	0	111.7	L110 V111 A117 H118 W186 L190 V472	L110-A114 VanDerWaalsContact O-CB 3.24Å; L110-A114 WeakPolarHBondContact O-CB 3.12Å; L110-A114 PolarHBondContact O-N 3.22Å; V111-A114 PolarHBondContact O-N 3.24Å; A114-A117 PolarHBondContact O-N 2.99Å; A114-H118 WeakPolarHBondContact O-CB 3.44Å; A114-H118 PolarHBondContact O-N 2.93Å; A114-W186 HydrophobicContact CB-CH2 4.45Å; A114-W186 HydrophobicContact CB-CZ3 4.02Å; A114-W186 WeakPolarHBondContact O-CZ3 3.43Å; A114-L190 HydrophobicContact CB-CD1 4.47Å; A114-L190 HydrophobicContact CB-CD2 3.98Å; A114-V472 HydrophobicContact CB-CG1 3.6Å; A114-V472 HydrophobicContact CB-CG2 4.34Å
115	E	93.9	Very high	93	Very high	24 Å²	24	62.6 Å²	62.6	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-40.3	176.4	-64.5	-167.5	165.3	0	0	111.6	V111 L119 H443 V472 F473 T475	V111-E115 HydrophobicContact CG1-CG 4.23Å; V111-E115 WeakPolarHBondContact O-CG 3.47Å; V111-E115 PolarHBondContact O-N 3.32Å; E115-L119 VanDerWaalsContact O-CB 3.25Å; E115-L119 WeakPolarHBondContact O-CB 3.46Å; E115-L119 PolarHBondContact O-N 3.07Å; E115-H443 IonicContact OE1-CD2 2.86Å; E115-H443 IonicContact OE1-CE1 2.79Å; E115-H443 IonicContact OE1-NE2 3.3Å; E115-H443 PolarHBondContact OE1-NE2 3.19Å; E115-H443 IonicContact OE2-CE1 3.84Å; E115-H443 IonicContact OE2-NE2 2.94Å; E115-V472 HydrophobicContact CG-CG1 3.8Å; E115-F473 WeakPolarHBondContact CG-O 3.05Å; E115-F473 WeakPolarHBondContact OE1-CB 3.31Å; E115-F473 PolarHBondContact OE1-N 3.03Å; E115-T475 HydrophobicContact CB-CG2 3.91Å; E115-T475 HydrophobicContact CG-CG2 4.2Å; E115-T475 WeakPolarHBondContact OE2-CG2 3.28Å
116	E	94.6	Very high	92.8	Very high	117 Å²	117	64.6 Å²	64.6	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-46.5	173.8	-177.2	174.4	-171.2	0	0	111.9	E112 H118 L119 Q120	E112-E116 WeakPolarHBondContact O-CB 3.46Å; E112-E116 PolarHBondContact O-N 3.16Å; E116-H118 PolarHBondContact O-N 2.81Å; E116-L119 WeakPolarHBondContact O-CB 3.16Å; E116-L119 PolarHBondContact O-N 2.98Å; E116-Q120 WeakPolarHBondContact O-CG 3.31Å; E116-Q120 PolarHBondContact O-N 3.06Å; E116-Q120 VanDerWaalsContact O-N 3.1Å; E116-Q120 PolarHBondContact OE1-NE2 2.77Å; E116-Q120 VanDerWaalsContact OE1-NE2 3.14Å
117	A	94.8	Very high	92.5	Very high	12 Å²	12	66.4 Å²	66.4	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-41.7	179.3	0	0	0	0	0	112.3	A113 A114 Q120 H121 W186 A189	A113-A117 VanDerWaalsContact O-CB 3.23Å; A113-A117 WeakPolarHBondContact O-CB 3.36Å; A113-A117 PolarHBondContact O-N 3.27Å; A114-A117 PolarHBondContact O-N 2.99Å; A117-Q120 PolarHBondContact O-N 3.39Å; A117-H121 PolarHBondContact O-N 2.9Å; A117-W186 HydrophobicContact CB-CE3 3.93Å; A117-A189 HydrophobicContact CB-CB 3.85Å
118	H	93.3	Very high	92.1	Very high	12 Å²	12	75.4 Å²	75.4	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-35.8	174.8	178.6	78.7	0	0	0	112.7	A114 E116 Q120 H121 W186 S474 K476 L486	A114-H118 WeakPolarHBondContact O-CB 3.44Å; A114-H118 PolarHBondContact O-N 2.93Å; E116-H118 PolarHBondContact O-N 2.81Å; H118-Q120 VanDerWaalsContact C-N 3.27Å; H118-Q120 PolarHBondContact O-N 3.16Å; H118-H121 PolarHBondContact O-N 2.93Å; H118-W186 HydrophobicContact CB-CD2 4.22Å; H118-W186 HydrophobicContact CB-CE3 4.26Å; H118-W186 HydrophobicContact CB-CZ3 4.45Å; H118-W186 AromaticContact ND1-NE1 3.89Å; H118-S474 PolarHBondContact CD2-OG 3.11Å; H118-S474 PolarHBondContact NE2-OG 3.27Å; H118-K476 WeakPolarHBondContact O-CE 3.46Å; H118-K476 PolarHBondContact O-NZ 2.96Å; H118-L486 HydrophobicContact CB-CD1 3.55Å; H118-L486 VanDerWaalsContact CG-CD1 3.43Å
119	L	92.3	Very high	91.6	Very high	94 Å²	94	72.3 Å²	72.3	49%	0.492	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-35.5	176.6	-179.6	61.7	0	0	0	112	E115 E116 K476	E115-L119 VanDerWaalsContact O-CB 3.25Å; E115-L119 WeakPolarHBondContact O-CB 3.46Å; E115-L119 PolarHBondContact O-N 3.07Å; E116-L119 WeakPolarHBondContact O-CB 3.16Å; E116-L119 PolarHBondContact O-N 2.98Å; L119-K476 HydrophobicContact CD1-CG 3.89Å
120	Q	91.6	Very high	91.1	Very high	143 Å²	143	77.4 Å²	77.4	67%	0.668	38%	0.384	S	S	*	.	H	α-helix	trans	-81.3	-13.7	177.5	-65.2	177.5	19.9	0	0	114	E116 A117 H118	E116-Q120 WeakPolarHBondContact O-CG 3.31Å; E116-Q120 PolarHBondContact O-N 3.06Å; E116-Q120 VanDerWaalsContact O-N 3.1Å; E116-Q120 PolarHBondContact OE1-NE2 2.77Å; E116-Q120 VanDerWaalsContact OE1-NE2 3.14Å; A117-Q120 PolarHBondContact O-N 3.39Å; H118-Q120 VanDerWaalsContact C-N 3.27Å; H118-Q120 PolarHBondContact O-N 3.16Å
121	H	91.3	Very high	90.7	Very high	19 Å²	19	78.1 Å²	78.1	9%	0.088	39%	0.387	C	S	.	.			trans	-89.9	133.1	-175.9	-175.4	64.7	0	0	0	113.2	A117 H118 N182 Y185 W186 K476	A117-H121 PolarHBondContact O-N 2.9Å; H118-H121 PolarHBondContact O-N 2.93Å; H121-N182 PolarHBondContact NE2-OD1 3.32Å; H121-Y185 AromaticContact CE1-CD1 3.56Å; H121-Y185 AromaticContact ND1-CD1 3.63Å; H121-Y185 AromaticContact ND1-CE1 3.89Å; H121-W186 HydrophobicContact CB-CB 3.8Å; H121-W186 HydrophobicContact CB-CG 4.37Å; H121-W186 AromaticContact CD2-CD1 3.92Å; H121-K476 PolarHBondContact O-NZ 3.17Å
122	E	89.3	Confident	90.3	Very high	170 Å²	170	81.5 Å²	81.5	79%	0.794	40%	0.401	S	S	*	.			trans	-104.6	132.7	169.6	-67.1	-174.7	171.8	0	0	110.1	N124	E122-N124 PolarHBondContact O-N 2.72Å
123	E	85.6	Confident	90.1	Very high	157 Å²	157	77 Å²	77	73%	0.734	38%	0.381	S	S	*	.			trans	-72	122.6	-176.3	-68.3	-175.6	173.7	0	0	111.5
124	N	90.2	Very high	89.7	Confident	71 Å²	71	76.1 Å²	76.1	38%	0.38	37%	0.373	S	S	.	.			trans	-119.6	111.4	177.7	176.6	7	0	0	0	109.9	E122 D126 L127 N182	E122-N124 PolarHBondContact O-N 2.72Å; N124-D126 VanDerWaalsContact C-N 3.25Å; N124-D126 PolarHBondContact O-N 3.03Å; N124-D126 PolarHBondContact OD1-N 3.27Å; N124-L127 HydrophobicContact CB-CB 4.17Å; N124-L127 VanDerWaalsContact O-CB 3.3Å; N124-L127 WeakPolarHBondContact O-CB 3.35Å; N124-L127 PolarHBondContact O-N 2.9Å; N124-N182 PolarHBondContact N-OD1 3.21Å; N124-N182 PolarHBondContact O-ND2 3.49Å
125	P	87.6	Confident	89.2	Confident	95 Å²	95	77.5 Å²	77.5	62%	0.617	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.9	-177.5	28.3	-35.3	0	0	0	113.4	L127	P125-L127 VanDerWaalsContact C-N 3.35Å
126	D	89.3	Confident	88.8	Confident	139 Å²	139	78.2 Å²	78.2	74%	0.743	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	11.4	-179.3	-62.2	-47.8	0	0	0	112.8	N124 Q128	N124-D126 VanDerWaalsContact C-N 3.25Å; N124-D126 PolarHBondContact O-N 3.03Å; N124-D126 PolarHBondContact OD1-N 3.27Å; D126-Q128 PolarHBondContact O-N 2.82Å
127	L	88.6	Confident	88.3	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.204	36%	0.36	C	S	.	.			trans	-64.6	118.5	-179.2	-177.7	64.7	0	0	0	111.4	N124 P125 V181 Y185	N124-L127 HydrophobicContact CB-CB 4.17Å; N124-L127 VanDerWaalsContact O-CB 3.3Å; N124-L127 WeakPolarHBondContact O-CB 3.35Å; N124-L127 PolarHBondContact O-N 2.9Å; P125-L127 VanDerWaalsContact C-N 3.35Å; L127-V181 HydrophobicContact CD2-CG1 4.39Å; L127-V181 HydrophobicContact CG-CG1 4.29Å; L127-V181 WeakPolarHBondContact O-CG1 3.3Å; L127-Y185 HydrophobicContact CD2-CD1 4.11Å; L127-Y185 HydrophobicContact CD2-CG 3.93Å
128	Q	84.5	Confident	87.7	Confident	189 Å²	189	76.1 Å²	76.1	88%	0.883	38%	0.377	S	S	*	.			trans	-102	116.2	168	-63.9	-174	-1.6	0	0	109.2	D126	D126-Q128 PolarHBondContact O-N 2.82Å
129	Y	85	Confident	87.1	Confident	52 Å²	52	79.2 Å²	79.2	20%	0.204	39%	0.391	C	S	.	.			trans	-138.8	128.5	178.8	176.2	-99.2	0	0	0	110	V184 Y185 E188	Y129-V184 HydrophobicContact CD1-CG1 4.25Å; Y129-V184 HydrophobicContact CE1-CG1 3.93Å; Y129-Y185 AromaticContact CD2-CD2 3.51Å; Y129-Y185 HydrophobicContact CD2-CD2 3.51Å; Y129-Y185 HydrophobicContact CD2-CE2 4.09Å; Y129-Y185 AromaticContact CE2-CD2 3.69Å; Y129-Y185 HydrophobicContact CE2-CD2 3.69Å; Y129-Y185 HydrophobicContact CE2-CE2 4.2Å; Y129-Y185 AromaticContact CG-CD2 3.96Å; Y129-Y185 HydrophobicContact CG-CD2 3.96Å; Y129-E188 PolarHBondContact OH-OE2 3.4Å
130	E	83.8	Confident	86.2	Confident	166 Å²	166	83.2 Å²	83.2	78%	0.776	41%	0.413	S	S	*	.			trans	-92.8	135.7	176.8	-66	-172.4	168.1	0	0	110.4	L143	E130-L143 HydrophobicContact CB-CD2 4.44Å
131	Y	87.5	Confident	85.5	Confident	16 Å²	16	80.4 Å²	80.4	6%	0.063	41%	0.405	C	S	.	.			trans	-139.7	158.5	-178.9	68.4	-91.8	0	0	0	111.2	N133 L143 V167 V169 N175 V184	Y131-N133 HydrophobicContact CE2-CB 4.1Å; Y131-N133 PolarHBondContact O-N 3.3Å; Y131-N133 VanDerWaalsContact O-N 3.16Å; Y131-L143 HydrophobicContact CD1-CD2 4.02Å; Y131-L143 HydrophobicContact CE1-CD1 4.16Å; Y131-L143 HydrophobicContact CE1-CD2 4.2Å; Y131-L143 HydrophobicContact CG-CD2 4.44Å; Y131-L143 WeakPolarHBondContact O-CD2 3.34Å; Y131-V167 HydrophobicContact CD2-CB 3.72Å; Y131-V167 HydrophobicContact CD2-CG1 4.29Å; Y131-V167 HydrophobicContact CD2-CG2 4.13Å; Y131-V167 HydrophobicContact CE2-CB 3.73Å; Y131-V167 HydrophobicContact CE2-CG1 3.89Å; Y131-V169 WeakPolarHBondContact OH-CG2 3.42Å; Y131-N175 PolarHBondContact OH-O 3.24Å; Y131-V184 HydrophobicContact CD1-CG1 3.85Å; Y131-V184 HydrophobicContact CD2-CG1 4.18Å; Y131-V184 HydrophobicContact CE1-CG1 4.49Å; Y131-V184 HydrophobicContact CG-CG1 3.66Å
132	F	88.9	Confident	84.4	Confident	72 Å²	72	86 Å²	86	32%	0.316	43%	0.432	S	S	.	.			trans	-76.3	102.5	177.4	-62.2	-72.2	0	0	0	110.8	I137 F147 L164 V166 V167	F132-I137 HydrophobicContact CB-CG2 3.95Å; F132-I137 HydrophobicContact CD1-CG2 4.2Å; F132-F147 HydrophobicContact CB-CD2 4.21Å; F132-F147 HydrophobicContact CB-CE2 4.25Å; F132-F147 HydrophobicContact CD1-CB 4.35Å; F132-F147 AromaticContact CD1-CD2 3.57Å; F132-F147 HydrophobicContact CD1-CD2 3.57Å; F132-F147 HydrophobicContact CD1-CE2 4.28Å; F132-F147 HydrophobicContact CD1-CG 4.34Å; F132-F147 AromaticContact CD2-CD2 4Å; F132-F147 HydrophobicContact CD2-CD2 4Å; F132-F147 AromaticContact CD2-CE2 3.92Å; F132-F147 HydrophobicContact CD2-CE2 3.92Å; F132-F147 AromaticContact CE1-CD2 3.87Å; F132-F147 HydrophobicContact CE1-CD2 3.87Å; F132-F147 HydrophobicContact CE2-CD2 4.28Å; F132-F147 HydrophobicContact CE2-CE2 4.37Å; F132-F147 AromaticContact CG-CD2 3.64Å; F132-F147 HydrophobicContact CG-CD2 3.64Å; F132-F147 AromaticContact CG-CE2 3.88Å; F132-F147 HydrophobicContact CG-CE2 3.88Å; F132-F147 HydrophobicContact CZ-CD2 4.22Å; F132-L164 HydrophobicContact CD2-CD1 4.47Å; F132-L164 HydrophobicContact CE2-CD1 3.91Å; F132-V166 HydrophobicContact CB-CG1 4.48Å; F132-V167 PolarHBondContact O-N 2.92Å
133	N	88.9	Confident	83.8	Confident	11 Å²	11	78.8 Å²	78.8	6%	0.059	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-77.2	121.2	173.6	-178.1	-39.5	0	0	0	109.7	Y131 V135 L136 I137 L143 V167	Y131-N133 HydrophobicContact CE2-CB 4.1Å; Y131-N133 PolarHBondContact O-N 3.3Å; Y131-N133 VanDerWaalsContact O-N 3.16Å; N133-V135 PolarHBondContact O-N 2.99Å; N133-V135 PolarHBondContact OD1-N 3.43Å; N133-L136 HydrophobicContact CB-CB 4.22Å; N133-L136 HydrophobicContact CB-CD1 4.18Å; N133-L136 HydrophobicContact CB-CG 4.29Å; N133-L136 PolarHBondContact O-N 3.04Å; N133-I137 WeakPolarHBondContact O-CG2 3.34Å; N133-I137 PolarHBondContact O-N 3.28Å; N133-I137 VanDerWaalsContact O-N 3.07Å; N133-L143 HydrophobicContact CB-CB 4.11Å; N133-V167 CarbonylContact C-O 3.55Å; N133-V167 WeakPolarHBondContact CA-O 3.46Å
134	A	86.9	Confident	83	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.9	-173.4	0	0	0	0	0	114.6	V166 V167 Q168 K223 W224	A134-V166 HydrophobicContact CB-CB 3.88Å; A134-V166 HydrophobicContact CB-CG2 3.67Å; A134-V167 PolarHBondContact N-O 3.11Å; A134-Q168 HydrophobicContact CB-CB 4.22Å; A134-K223 CarbonylContact O-C 3.59Å; A134-K223 WeakPolarHBondContact O-CA 3.32Å; A134-W224 HydrophobicContact CB-CB 4.33Å; A134-W224 HydrophobicContact CB-CG 4.01Å; A134-W224 PolarHBondContact O-N 3.11Å
135	V	86.1	Confident	82.4	Confident	29 Å²	29	69.9 Å²	69.9	18%	0.176	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-48.4	177	-165.5	0	0	0	0	111	N133 K223 I232	N133-V135 PolarHBondContact O-N 2.99Å; N133-V135 PolarHBondContact OD1-N 3.43Å; V135-K223 WeakPolarHBondContact O-CE 3.39Å; V135-K223 PolarHBondContact O-NZ 3.03Å; V135-I232 HydrophobicContact CB-CD1 4.38Å; V135-I232 HydrophobicContact CG1-CD1 4.2Å; V135-I232 HydrophobicContact CG2-CD1 3.29Å
136	L	84.7	Confident	82.1	Confident	39 Å²	39	74.7 Å²	74.7	20%	0.204	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.2	-168.2	-56.6	175.1	0	0	0	113.5	N133 N138 E139 L143 G144	N133-L136 HydrophobicContact CB-CB 4.22Å; N133-L136 HydrophobicContact CB-CD1 4.18Å; N133-L136 HydrophobicContact CB-CG 4.29Å; N133-L136 PolarHBondContact O-N 3.04Å; L136-N138 PolarHBondContact O-N 3.19Å; L136-E139 VanDerWaalsContact O-CB 3.3Å; L136-E139 WeakPolarHBondContact O-CB 3.17Å; L136-E139 PolarHBondContact O-N 3.08Å; L136-E139 VanDerWaalsContact O-N 3.1Å; L136-L143 HydrophobicContact CD1-CB 4.28Å; L136-G144 WeakPolarHBondContact O-CA 3.35Å
137	I	85.1	Confident	81.8	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	138.1	-178	54.5	171.8	0	0	0	112.6	F132 N133 E139 F147 L149 V166 K223	F132-I137 HydrophobicContact CB-CG2 3.95Å; F132-I137 HydrophobicContact CD1-CG2 4.2Å; N133-I137 WeakPolarHBondContact O-CG2 3.34Å; N133-I137 PolarHBondContact O-N 3.28Å; N133-I137 VanDerWaalsContact O-N 3.07Å; I137-E139 VanDerWaalsContact C-N 3.31Å; I137-F147 HydrophobicContact CB-CB 3.99Å; I137-F147 HydrophobicContact CD1-CB 4.32Å; I137-F147 HydrophobicContact CD1-CD1 3.69Å; I137-F147 HydrophobicContact CD1-CE1 4.3Å; I137-F147 HydrophobicContact CD1-CG 4.24Å; I137-F147 HydrophobicContact CG2-CB 3.93Å; I137-F147 HydrophobicContact CG2-CG 4.18Å; I137-L149 HydrophobicContact CD1-CD1 4.24Å; I137-V166 HydrophobicContact CD1-CG1 4.3Å; I137-K223 HydrophobicContact CD1-CB 3.87Å; I137-K223 HydrophobicContact CD1-CG 4.5Å; I137-K223 HydrophobicContact CG1-CB 3.99Å; I137-K223 HydrophobicContact CG1-CD 4.22Å; I137-K223 HydrophobicContact CG1-CG 4.07Å; I137-K223 PolarHBondContact O-NZ 3.49Å
138	N	82.2	Confident	81.8	Confident	85 Å²	85	71.3 Å²	71.3	46%	0.455	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	31	-175	-56.8	-46.4	0	0	0	114.5	L136 G144 F147	L136-N138 PolarHBondContact O-N 3.19Å; N138-G144 PolarHBondContact N-O 3.49Å; N138-G144 VanDerWaalsContact N-O 3.09Å; N138-F147 PolarHBondContact ND2-O 2.94Å; N138-F147 PolarHBondContact OD1-N 3.35Å; N138-F147 PolarHBondContact OD1-O 3.24Å
139	E	80.5	Confident	81.9	Confident	78 Å²	78	64.3 Å²	64.3	36%	0.364	33%	0.331	S	S	.	.	S	Bend	trans	-118.5	147.5	168.6	-58.3	178.8	-178.8	0	0	109.3	L136 I137 V141 G144 K223	L136-E139 VanDerWaalsContact O-CB 3.3Å; L136-E139 WeakPolarHBondContact O-CB 3.17Å; L136-E139 PolarHBondContact O-N 3.08Å; L136-E139 VanDerWaalsContact O-N 3.1Å; I137-E139 VanDerWaalsContact C-N 3.31Å; E139-V141 HydrophobicContact CB-CG2 4.12Å; E139-V141 PolarHBondContact O-N 2.86Å; E139-G144 PolarHBondContact N-O 2.98Å; E139-G144 VanDerWaalsContact O-O 3.11Å; E139-K223 IonicContact OE1-NZ 3.76Å; E139-K223 PolarHBondContact OE1-NZ 2.98Å
140	D	72.8	Confident	81.9	Confident	178 Å²	178	68.1 Å²	68.1	95%	0.952	35%	0.35	S	S	*	.	S	Bend	trans	-77.4	55.6	-179	-68.1	-43.2	0	0	0	111.6
141	V	77.4	Confident	82	Confident	83 Å²	83	64.4 Å²	64.4	50%	0.503	34%	0.34	S	S	.	.	S	Bend	trans	-133.7	154.5	-173	-173.6	0	0	0	0	109.4	E139 L143 G144	E139-V141 HydrophobicContact CB-CG2 4.12Å; E139-V141 PolarHBondContact O-N 2.86Å; V141-L143 PolarHBondContact O-N 2.84Å; V141-G144 WeakPolarHBondContact O-CA 3.27Å; V141-G144 PolarHBondContact O-N 3.34Å
142	E	66.9	Low	81.6	Confident	136 Å²	136	64.8 Å²	64.8	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	138.7	170.8	-64.4	-175.5	174.8	0	0	111.2	G144 K176	E142-G144 PolarHBondContact O-N 3.05Å; E142-K176 IonicContact OE2-NZ 2.68Å; E142-K176 PolarHBondContact OE2-NZ 3.4Å
143	L	76.5	Confident	80.9	Confident	20 Å²	20	66.7 Å²	66.7	11%	0.105	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	0.9	-168.9	-51.6	168.4	0	0	0	115.5	E130 Y131 N133 L136 V141 G145	E130-L143 HydrophobicContact CB-CD2 4.44Å; Y131-L143 HydrophobicContact CD1-CD2 4.02Å; Y131-L143 HydrophobicContact CE1-CD1 4.16Å; Y131-L143 HydrophobicContact CE1-CD2 4.2Å; Y131-L143 HydrophobicContact CG-CD2 4.44Å; Y131-L143 WeakPolarHBondContact O-CD2 3.34Å; N133-L143 HydrophobicContact CB-CB 4.11Å; L136-L143 HydrophobicContact CD1-CB 4.28Å; V141-L143 PolarHBondContact O-N 2.84Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 2.04Å
144	G	69.8	Low	80.4	Confident	4 Å²	4	67.6 Å²	67.6	4%	0.041	36%	0.361	C	S	.	.			trans	-88.8	19.8	178.9	0	0	0	0	0	115.9	L136 N138 E139 V141 E142	L136-G144 WeakPolarHBondContact O-CA 3.35Å; N138-G144 PolarHBondContact N-O 3.49Å; N138-G144 VanDerWaalsContact N-O 3.09Å; E139-G144 PolarHBondContact N-O 2.98Å; E139-G144 VanDerWaalsContact O-O 3.11Å; V141-G144 WeakPolarHBondContact O-CA 3.27Å; V141-G144 PolarHBondContact O-N 3.34Å; E142-G144 PolarHBondContact O-N 3.05Å
145	G	77.5	Confident	80	Confident	36 Å²	36	67.7 Å²	67.7	37%	0.371	36%	0.361	S	S	.	.			trans	-49.1	150.6	-173.1	0	0	0	0	0	115	L143 F147	L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 2.04Å; G145-F147 PolarHBondContact O-N 3.47Å; G145-F147 VanDerWaalsContact O-N 3.1Å
146	K	80.6	Confident	79.4	Confident	196 Å²	196	69.8 Å²	69.8	85%	0.852	37%	0.372	S	S	*	.			trans	-58.6	114.2	-175.6	-68.1	-174.7	178.6	-178.4	0	111.5
147	F	84.4	Confident	78.9	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.018	39%	0.386	C	S	.	.			trans	-125.3	107.5	-174.7	-163.3	-99.5	0	0	0	109.6	F132 I137 N138 G145 L149 N161 L164 V166	F132-F147 HydrophobicContact CB-CD2 4.21Å; F132-F147 HydrophobicContact CB-CE2 4.25Å; F132-F147 HydrophobicContact CD1-CB 4.35Å; F132-F147 AromaticContact CD1-CD2 3.57Å; F132-F147 HydrophobicContact CD1-CD2 3.57Å; F132-F147 HydrophobicContact CD1-CE2 4.28Å; F132-F147 HydrophobicContact CD1-CG 4.34Å; F132-F147 AromaticContact CD2-CD2 4Å; F132-F147 HydrophobicContact CD2-CD2 4Å; F132-F147 AromaticContact CD2-CE2 3.92Å; F132-F147 HydrophobicContact CD2-CE2 3.92Å; F132-F147 AromaticContact CE1-CD2 3.87Å; F132-F147 HydrophobicContact CE1-CD2 3.87Å; F132-F147 HydrophobicContact CE2-CD2 4.28Å; F132-F147 HydrophobicContact CE2-CE2 4.37Å; F132-F147 AromaticContact CG-CD2 3.64Å; F132-F147 HydrophobicContact CG-CD2 3.64Å; F132-F147 AromaticContact CG-CE2 3.88Å; F132-F147 HydrophobicContact CG-CE2 3.88Å; F132-F147 HydrophobicContact CZ-CD2 4.22Å; I137-F147 HydrophobicContact CB-CB 3.99Å; I137-F147 HydrophobicContact CD1-CB 4.32Å; I137-F147 HydrophobicContact CD1-CD1 3.69Å; I137-F147 HydrophobicContact CD1-CE1 4.3Å; I137-F147 HydrophobicContact CD1-CG 4.24Å; I137-F147 HydrophobicContact CG2-CB 3.93Å; I137-F147 HydrophobicContact CG2-CG 4.18Å; N138-F147 PolarHBondContact ND2-O 2.94Å; N138-F147 PolarHBondContact OD1-N 3.35Å; N138-F147 PolarHBondContact OD1-O 3.24Å; G145-F147 PolarHBondContact O-N 3.47Å; G145-F147 VanDerWaalsContact O-N 3.1Å; F147-L149 HydrophobicContact CD1-CD2 3.62Å; F147-L149 HydrophobicContact CD1-CG 4.12Å; F147-L149 HydrophobicContact CE1-CD2 3.7Å; F147-L149 PolarHBondContact O-N 3.34Å; F147-N161 HydrophobicContact CD1-CB 4.11Å; F147-N161 HydrophobicContact CE1-CB 3.29Å; F147-N161 WeakPolarHBondContact CE1-ND2 3.39Å; F147-N161 WeakPolarHBondContact CE2-ND2 3.34Å; F147-N161 HydrophobicContact CZ-CB 3.57Å; F147-N161 WeakPolarHBondContact CZ-ND2 3.41Å; F147-L164 HydrophobicContact CE2-CB 3.85Å; F147-L164 HydrophobicContact CE2-CD1 4.14Å; F147-L164 HydrophobicContact CZ-CB 4.06Å; F147-V166 HydrophobicContact CE1-CG1 3.83Å; F147-V166 HydrophobicContact CE2-CG1 4.39Å; F147-V166 HydrophobicContact CZ-CG1 3.74Å
148	V	86.9	Confident	78.6	Confident	104 Å²	104	74.6 Å²	74.6	63%	0.63	39%	0.394	S	S	*	.			trans	-73.1	115.9	-175.9	-177.6	0	0	0	0	109.6	Q150 N161	V148-Q150 HydrophobicContact CG1-CG 4.38Å; V148-N161 WeakPolarHBondContact O-CB 3.46Å
149	L	87.3	Confident	78.8	Confident	42 Å²	42	73.6 Å²	73.6	22%	0.22	39%	0.394	C	S	.	.			trans	-106.5	135.3	173.7	-60.6	171	0	0	0	109	I137 F147 N161 G221 K223	I137-L149 HydrophobicContact CD1-CD1 4.24Å; F147-L149 HydrophobicContact CD1-CD2 3.62Å; F147-L149 HydrophobicContact CD1-CG 4.12Å; F147-L149 HydrophobicContact CE1-CD2 3.7Å; F147-L149 PolarHBondContact O-N 3.34Å; L149-N161 HydrophobicContact CD2-CB 4.16Å; L149-G221 WeakPolarHBondContact CD2-O 3.45Å; L149-K223 HydrophobicContact CD1-CB 3.97Å
150	Q	86.3	Confident	79.2	Confident	131 Å²	131	70.1 Å²	70.1	61%	0.612	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	177.2	-65.9	-176.5	-0.6	0	0	110.1	V148 N152 S159 V160	V148-Q150 HydrophobicContact CG1-CG 4.38Å; Q150-N152 PolarHBondContact O-N 3.21Å; Q150-S159 CarbonylContact O-C 3.52Å; Q150-S159 WeakPolarHBondContact O-CA 3.39Å; Q150-V160 PolarHBondContact N-O 3.21Å; Q150-V160 PolarHBondContact O-N 3.48Å
151	P	85	Confident	80	Confident	88 Å²	88	62.7 Å²	62.7	57%	0.571	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.5	174.7	24.6	-32.3	0	0	0	110.6	N157 R158	P151-N157 VanDerWaalsContact CB-OD1 3.28Å; P151-N157 WeakPolarHBondContact CB-OD1 3.42Å; P151-R158 CarbonylContact C-O 3.43Å; P151-R158 WeakPolarHBondContact CA-O 3.31Å
152	N	79.6	Confident	80.5	Confident	24 Å²	24	61.9 Å²	61.9	13%	0.128	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	118.8	-178.7	-174.3	-18.8	0	0	0	111.2	Q150 H154 F155 N157 R158 V160	Q150-N152 PolarHBondContact O-N 3.21Å; N152-H154 PolarHBondContact O-N 2.65Å; N152-H154 WeakPolarHBondContact OD1-CB 3.43Å; N152-H154 PolarHBondContact OD1-N 3.29Å; N152-H154 VanDerWaalsContact OD1-N 3.17Å; N152-F155 HydrophobicContact CB-CD2 4.17Å; N152-F155 PolarHBondContact O-N 2.62Å; N152-N157 VanDerWaalsContact O-CA 3.24Å; N152-N157 WeakPolarHBondContact O-CA 3.38Å; N152-N157 PolarHBondContact O-N 3.04Å; N152-R158 PolarHBondContact N-O 2.82Å; N152-V160 HydrophobicContact CB-CG2 3.77Å
153	D	74.4	Confident	81.6	Confident	113 Å²	113	59.4 Å²	59.4	60%	0.604	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-55.8	-34.9	-175.9	-54.8	-47.3	0	0	0	113.1	F155 N156	D153-F155 PolarHBondContact O-N 2.9Å; D153-N156 WeakPolarHBondContact O-CA 3.48Å; D153-N156 PolarHBondContact O-N 3.31Å
154	H	77.9	Confident	82.2	Confident	29 Å²	29	61.2 Å²	61.2	13%	0.134	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-58.6	-32.2	177.6	-171.1	79.6	0	0	0	113.9	N152 N156 P202 L204 R654	N152-H154 PolarHBondContact O-N 2.65Å; N152-H154 WeakPolarHBondContact OD1-CB 3.43Å; N152-H154 PolarHBondContact OD1-N 3.29Å; N152-H154 VanDerWaalsContact OD1-N 3.17Å; H154-N156 VanDerWaalsContact C-N 3.28Å; H154-P202 PolarHBondContact CE1-O 2.97Å; H154-P202 PolarHBondContact NE2-O 2.95Å; H154-L204 PolarHBondContact NE2-O 2.98Å; H154-R654 PolarHBondContact ND1-NH2 2.88Å
155	F	78.1	Confident	83.3	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.013	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-99.9	34.8	178.2	-63.1	-85.6	0	0	0	110	N152 D153 N157 R158 V160 L162 F198 I205 W206 P220	N152-F155 HydrophobicContact CB-CD2 4.17Å; N152-F155 PolarHBondContact O-N 2.62Å; D153-F155 PolarHBondContact O-N 2.9Å; F155-N157 PolarHBondContact O-N 3.48Å; F155-R158 HydrophobicContact CB-CB 4.12Å; F155-R158 WeakPolarHBondContact O-CB 3.34Å; F155-R158 WeakPolarHBondContact O-CD 3.07Å; F155-R158 WeakPolarHBondContact O-CG 3.44Å; F155-R158 PolarHBondContact O-N 3.46Å; F155-V160 HydrophobicContact CB-CG1 3.77Å; F155-V160 HydrophobicContact CD1-CG1 4.46Å; F155-V160 HydrophobicContact CD2-CG1 4.15Å; F155-V160 HydrophobicContact CD2-CG2 3.95Å; F155-V160 HydrophobicContact CE2-CG2 4.41Å; F155-V160 HydrophobicContact CG-CG1 3.86Å; F155-L162 HydrophobicContact CE2-CD2 3.82Å; F155-L162 HydrophobicContact CZ-CD2 4.48Å; F155-F198 HydrophobicContact CE2-CE2 4.33Å; F155-F198 HydrophobicContact CE2-CZ 4.27Å; F155-F198 HydrophobicContact CZ-CE2 4.07Å; F155-F198 HydrophobicContact CZ-CZ 4.44Å; F155-I205 HydrophobicContact CD1-CG2 3.69Å; F155-I205 HydrophobicContact CE1-CB 4.4Å; F155-I205 HydrophobicContact CE1-CG2 3.74Å; F155-I205 WeakPolarHBondContact CE1-O 3.25Å; F155-W206 HydrophobicContact CD1-CE3 4.25Å; F155-W206 AromaticContact CD1-CH2 3.82Å; F155-W206 HydrophobicContact CD1-CH2 3.82Å; F155-W206 HydrophobicContact CD1-CZ2 4.38Å; F155-W206 AromaticContact CD1-CZ3 3.78Å; F155-W206 HydrophobicContact CD1-CZ3 3.78Å; F155-W206 HydrophobicContact CE1-CE3 4.24Å; F155-W206 HydrophobicContact CE1-CZ3 4.1Å; F155-P220 HydrophobicContact CD1-CG 4Å; F155-P220 HydrophobicContact CD2-CG 4.39Å; F155-P220 VanDerWaalsContact CE1-CD 3.44Å; F155-P220 HydrophobicContact CE1-CG 3.46Å; F155-P220 VanDerWaalsContact CE1-CG 3.46Å; F155-P220 HydrophobicContact CE2-CG 3.9Å; F155-P220 HydrophobicContact CG-CG 4.45Å; F155-P220 HydrophobicContact CZ-CG 3.42Å; F155-P220 VanDerWaalsContact CZ-CG 3.42Å
156	N	73.3	Confident	84.1	Confident	73 Å²	73	59.6 Å²	59.6	39%	0.39	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	49.6	-173.1	-55.4	-30.9	0	0	0	112.1	D153 H154 R158 Q460	D153-N156 WeakPolarHBondContact O-CA 3.48Å; D153-N156 PolarHBondContact O-N 3.31Å; H154-N156 VanDerWaalsContact C-N 3.28Å; N156-R158 PolarHBondContact O-N 3.15Å; N156-R158 VanDerWaalsContact O-N 3.13Å; N156-Q460 PolarHBondContact O-NE2 3.19Å; N156-Q460 PolarHBondContact O-OE1 3.21Å
157	N	74.3	Confident	84.7	Confident	94 Å²	94	50.3 Å²	50.3	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	27	-178.7	-160.3	4.7	0	0	0	114.1	P151 N152 F155	P151-N157 VanDerWaalsContact CB-OD1 3.28Å; P151-N157 WeakPolarHBondContact CB-OD1 3.42Å; N152-N157 VanDerWaalsContact O-CA 3.24Å; N152-N157 WeakPolarHBondContact O-CA 3.38Å; N152-N157 PolarHBondContact O-N 3.04Å; F155-N157 PolarHBondContact O-N 3.48Å
158	R	78.6	Confident	85	Confident	45 Å²	45	50.2 Å²	50.2	17%	0.17	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.4	174.5	-76.2	172	177.4	-114.6	-23.4	111.5	P151 N152 F155 N156 V160 T455	P151-R158 CarbonylContact C-O 3.43Å; P151-R158 WeakPolarHBondContact CA-O 3.31Å; N152-R158 PolarHBondContact N-O 2.82Å; F155-R158 HydrophobicContact CB-CB 4.12Å; F155-R158 WeakPolarHBondContact O-CB 3.34Å; F155-R158 WeakPolarHBondContact O-CD 3.07Å; F155-R158 WeakPolarHBondContact O-CG 3.44Å; F155-R158 PolarHBondContact O-N 3.46Å; N156-R158 PolarHBondContact O-N 3.15Å; N156-R158 VanDerWaalsContact O-N 3.13Å; R158-V160 HydrophobicContact CB-CG1 3.92Å; R158-V160 PolarHBondContact O-N 3.26Å; R158-V160 VanDerWaalsContact O-N 3.14Å; R158-T455 VanDerWaalsContact CZ-O 3.23Å; R158-T455 PolarHBondContact NH1-O 2.96Å; R158-T455 PolarHBondContact NH1-OG1 3.23Å; R158-T455 PolarHBondContact NH2-O 3.29Å
159	S	86	Confident	85.2	Confident	65 Å²	65	45.9 Å²	45.9	46%	0.455	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	101.2	168.5	-53.3	0	0	0	0	109.8	Q150	Q150-S159 CarbonylContact O-C 3.52Å; Q150-S159 WeakPolarHBondContact O-CA 3.39Å
160	V	88.9	Confident	85.2	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	161.8	-177.3	-52.4	0	0	0	0	111.7	Q150 N152 F155 R158 L162 P220 G221 I222	Q150-V160 PolarHBondContact N-O 3.21Å; Q150-V160 PolarHBondContact O-N 3.48Å; N152-V160 HydrophobicContact CB-CG2 3.77Å; F155-V160 HydrophobicContact CB-CG1 3.77Å; F155-V160 HydrophobicContact CD1-CG1 4.46Å; F155-V160 HydrophobicContact CD2-CG1 4.15Å; F155-V160 HydrophobicContact CD2-CG2 3.95Å; F155-V160 HydrophobicContact CE2-CG2 4.41Å; F155-V160 HydrophobicContact CG-CG1 3.86Å; R158-V160 HydrophobicContact CB-CG1 3.92Å; R158-V160 PolarHBondContact O-N 3.26Å; R158-V160 VanDerWaalsContact O-N 3.14Å; V160-L162 HydrophobicContact CG2-CD2 3.89Å; V160-L162 HydrophobicContact CG2-CG 4.35Å; V160-P220 HydrophobicContact CB-CB 4.22Å; V160-P220 HydrophobicContact CB-CG 4.04Å; V160-P220 HydrophobicContact CG1-CG 4.28Å; V160-P220 HydrophobicContact CG2-CG 4.37Å; V160-G221 CarbonylContact C-O 3.57Å; V160-G221 WeakPolarHBondContact CA-O 3.46Å; V160-I222 HydrophobicContact CB-CG2 4.23Å; V160-I222 HydrophobicContact CG1-CG2 3.74Å
161	N	90.6	Very high	85	Confident	23 Å²	23	41.7 Å²	41.7	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.3	168.1	-174.1	-11.2	0	0	0	110.1	F147 V148 L149 S163 P220 G221	F147-N161 HydrophobicContact CD1-CB 4.11Å; F147-N161 HydrophobicContact CE1-CB 3.29Å; F147-N161 WeakPolarHBondContact CE1-ND2 3.39Å; F147-N161 WeakPolarHBondContact CE2-ND2 3.34Å; F147-N161 HydrophobicContact CZ-CB 3.57Å; F147-N161 WeakPolarHBondContact CZ-ND2 3.41Å; V148-N161 WeakPolarHBondContact O-CB 3.46Å; L149-N161 HydrophobicContact CD2-CB 4.16Å; N161-S163 VanDerWaalsContact C-N 3.25Å; N161-S163 PolarHBondContact O-N 3.36Å; N161-S163 WeakPolarHBondContact OD1-CB 3.43Å; N161-S163 PolarHBondContact OD1-N 3.06Å; N161-P220 WeakPolarHBondContact O-CB 3.39Å; N161-G221 PolarHBondContact N-O 2.89Å; N161-G221 PolarHBondContact O-N 3.43Å; N161-G221 VanDerWaalsContact O-N 3.07Å
162	L	87.8	Confident	84.7	Confident	65 Å²	65	41.7 Å²	41.7	34%	0.34	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.7	-179.3	-57.5	179.8	0	0	0	113.9	F155 V160 F198 Y219 P220	F155-L162 HydrophobicContact CE2-CD2 3.82Å; F155-L162 HydrophobicContact CZ-CD2 4.48Å; V160-L162 HydrophobicContact CG2-CD2 3.89Å; V160-L162 HydrophobicContact CG2-CG 4.35Å; L162-F198 HydrophobicContact CD1-CE1 4.49Å; L162-F198 HydrophobicContact CD2-CE1 4.32Å; L162-Y219 WeakPolarHBondContact O-CE2 3.39Å; L162-Y219 PolarHBondContact O-OH 2.91Å; L162-P220 HydrophobicContact CD2-CB 4.03Å; L162-P220 HydrophobicContact CD2-CG 4.31Å
163	S	89.4	Confident	84.9	Confident	85 Å²	85	42.2 Å²	42.2	59%	0.594	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-23.5	-176.8	-56.8	0	0	0	0	113.9	N161	N161-S163 VanDerWaalsContact C-N 3.25Å; N161-S163 PolarHBondContact O-N 3.36Å; N161-S163 WeakPolarHBondContact OD1-CB 3.43Å; N161-S163 PolarHBondContact OD1-N 3.06Å
164	L	90.4	Very high	85.4	Confident	58 Å²	58	44.3 Å²	44.3	30%	0.304	24%	0.236	S	C	.	.			trans	-145.6	144.4	-170.1	-69.2	174.6	0	0	0	111.8	F132 F147 G221	F132-L164 HydrophobicContact CD2-CD1 4.47Å; F132-L164 HydrophobicContact CE2-CD1 3.91Å; F147-L164 HydrophobicContact CE2-CB 3.85Å; F147-L164 HydrophobicContact CE2-CD1 4.14Å; F147-L164 HydrophobicContact CZ-CB 4.06Å; L164-G221 WeakPolarHBondContact O-CA 3.42Å; L164-G221 PolarHBondContact O-N 2.94Å
165	S	93.1	Very high	85.7	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.028	24%	0.24	C	C	.	.			trans	-77.6	161.5	166.9	62	0	0	0	0	112.5	N191 R217 Q218	S165-N191 VanDerWaalsContact CB-OD1 3.31Å; S165-N191 WeakPolarHBondContact CB-OD1 3.47Å; S165-N191 PolarHBondContact N-OD1 3.34Å; S165-N191 PolarHBondContact OG-OD1 2.88Å; S165-R217 WeakPolarHBondContact OG-CG 3.2Å; S165-R217 PolarHBondContact OG-NH1 2.63Å; S165-Q218 CarbonylContact C-O 3.58Å; S165-Q218 WeakPolarHBondContact CA-O 3.45Å; S165-Q218 WeakPolarHBondContact CB-O 3.33Å
166	V	92.8	Very high	86	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	161.1	167.2	-66.4	0	0	0	0	110.2	F132 A134 I137 F147 R217 Q218	F132-V166 HydrophobicContact CB-CG1 4.48Å; A134-V166 HydrophobicContact CB-CB 3.88Å; A134-V166 HydrophobicContact CB-CG2 3.67Å; I137-V166 HydrophobicContact CD1-CG1 4.3Å; F147-V166 HydrophobicContact CE1-CG1 3.83Å; F147-V166 HydrophobicContact CE2-CG1 4.39Å; F147-V166 HydrophobicContact CZ-CG1 3.74Å; V166-R217 CarbonylContact O-C 3.59Å; V166-R217 WeakPolarHBondContact O-CA 3.35Å; V166-Q218 HydrophobicContact CG2-CB 4.39Å; V166-Q218 PolarHBondContact N-O 3.25Å; V166-Q218 PolarHBondContact O-N 2.97Å
167	V	93.7	Very high	86.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.7	173.7	179	0	0	0	0	110.3	Y131 F132 N133 A134 V169 V184 F215 F216 R217	Y131-V167 HydrophobicContact CD2-CB 3.72Å; Y131-V167 HydrophobicContact CD2-CG1 4.29Å; Y131-V167 HydrophobicContact CD2-CG2 4.13Å; Y131-V167 HydrophobicContact CE2-CB 3.73Å; Y131-V167 HydrophobicContact CE2-CG1 3.89Å; F132-V167 PolarHBondContact O-N 2.92Å; N133-V167 CarbonylContact C-O 3.55Å; N133-V167 WeakPolarHBondContact CA-O 3.46Å; A134-V167 PolarHBondContact N-O 3.11Å; V167-V169 HydrophobicContact CG1-CG2 4.27Å; V167-V184 HydrophobicContact CG1-CG2 3.96Å; V167-V184 HydrophobicContact CG2-CG1 4.12Å; V167-V184 HydrophobicContact CG2-CG2 4.39Å; V167-F215 HydrophobicContact CG1-CB 4.09Å; V167-F215 HydrophobicContact CG1-CD2 3.99Å; V167-F215 HydrophobicContact CG1-CG 4.43Å; V167-F216 CarbonylContact C-O 3.33Å; V167-F216 WeakPolarHBondContact CA-O 3.47Å; V167-R217 HydrophobicContact CG2-CB 4.24Å; V167-R217 HydrophobicContact CG2-CG 4.24Å
168	Q	91.7	Very high	87.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.2	166.6	-179.7	-89.7	-17.7	0	0	109.3	A134 F215 F216 W224 F234	A134-Q168 HydrophobicContact CB-CB 4.22Å; Q168-F215 WeakPolarHBondContact O-CA 3.36Å; Q168-F216 HydrophobicContact CB-CB 4.47Å; Q168-F216 HydrophobicContact CB-CD1 4.44Å; Q168-F216 PolarHBondContact N-O 2.99Å; Q168-F216 PolarHBondContact O-N 3.42Å; Q168-W224 HydrophobicContact CG-CD2 4.37Å; Q168-W224 HydrophobicContact CG-CE3 4.19Å; Q168-W224 HydrophobicContact CG-CZ3 4.32Å; Q168-F234 PolarHBondContact NE2-O 2.93Å
169	V	89.9	Confident	87.9	Confident	14 Å²	14	46.2 Å²	46.2	9%	0.085	26%	0.255	C	S	.	.			trans	-125.8	132.8	173.2	-179.8	0	0	0	0	107.2	Y131 V167 M173 I180 F215	Y131-V169 WeakPolarHBondContact OH-CG2 3.42Å; V167-V169 HydrophobicContact CG1-CG2 4.27Å; V169-M173 HydrophobicContact CG1-CB 3.89Å; V169-I180 HydrophobicContact CG1-CD1 4.09Å; V169-I180 HydrophobicContact CG2-CG2 4.37Å; V169-F215 HydrophobicContact CG2-CB 4.1Å
170	P	86.5	Confident	88.1	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.026	23%	0.234	C	C	.	.			trans	-56.8	144.6	175.8	-28.6	37.4	0	0	0	113	N172 M173 G214 D235	P170-N172 WeakPolarHBondContact CB-OD1 3.04Å; P170-N172 PolarHBondContact O-N 3.01Å; P170-N172 VanDerWaalsContact O-N 3.12Å; P170-M173 HydrophobicContact CB-CG 4.37Å; P170-M173 HydrophobicContact CG-SD 4.46Å; P170-M173 PolarHBondContact O-N 2.74Å; P170-G214 WeakPolarHBondContact CD-O 3.23Å; P170-D235 HydrophobicContact CG-CB 4.31Å
171	T	82.8	Confident	88.3	Confident	80 Å²	80	43.4 Å²	43.4	49%	0.491	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.5	-173.9	-51.7	0	0	0	0	114	I232	T171-I232 PolarHBondContact OG1-N 2.99Å; T171-I232 VanDerWaalsContact OG1-N 3.14Å
172	N	79.9	Confident	88.4	Confident	89 Å²	89	42.8 Å²	42.8	48%	0.476	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.1	175.5	60.8	-30.7	0	0	0	114.2	P170	P170-N172 WeakPolarHBondContact CB-OD1 3.04Å; P170-N172 PolarHBondContact O-N 3.01Å; P170-N172 VanDerWaalsContact O-N 3.12Å
173	M	83.1	Confident	88.6	Confident	35 Å²	35	40 Å²	40	17%	0.172	22%	0.219	C	C	.	.	S	Bend	trans	-108.5	144.6	-177	-61	-165.8	82	0	0	112.6	V169 P170 N175 I180 K213	V169-M173 HydrophobicContact CG1-CB 3.89Å; P170-M173 HydrophobicContact CB-CG 4.37Å; P170-M173 HydrophobicContact CG-SD 4.46Å; P170-M173 PolarHBondContact O-N 2.74Å; M173-N175 PolarHBondContact O-N 2.84Å; M173-I180 HydrophobicContact CB-CD1 4.2Å; M173-I180 HydrophobicContact CE-CD1 4.08Å; M173-K213 WeakPolarHBondContact CE-O 3.42Å
174	Y	85.1	Confident	88.8	Confident	156 Å²	156	36 Å²	36	61%	0.612	19%	0.19	S	C	*	.			trans	-83	115.5	179.4	-175.7	-122.5	0	0	0	111.9	K176 D177	Y174-K176 HydrophobicContact CD1-CB 4.31Å; Y174-K176 HydrophobicContact CE1-CB 3.6Å; Y174-K176 PolarHBondContact O-N 3.4Å; Y174-K176 VanDerWaalsContact O-N 3.12Å; Y174-D177 WeakPolarHBondContact O-CB 3.4Å; Y174-D177 PolarHBondContact O-N 3.41Å
175	N	84	Confident	89	Confident	40 Å²	40	38.2 Å²	38.2	21%	0.214	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	-175.8	61.9	-9.6	0	0	0	115.9	Y131 M173	Y131-N175 PolarHBondContact OH-O 3.24Å; M173-N175 PolarHBondContact O-N 2.84Å
176	K	84.8	Confident	89	Confident	97 Å²	97	39 Å²	39	42%	0.422	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	18.1	176.1	-53.5	-175.1	-176	-177.6	0	113.6	E142 Y174 S178	E142-K176 IonicContact OE2-NZ 2.68Å; E142-K176 PolarHBondContact OE2-NZ 3.4Å; Y174-K176 HydrophobicContact CD1-CB 4.31Å; Y174-K176 HydrophobicContact CE1-CB 3.6Å; Y174-K176 PolarHBondContact O-N 3.4Å; Y174-K176 VanDerWaalsContact O-N 3.12Å; K176-S178 PolarHBondContact O-N 2.87Å
177	D	87.9	Confident	89.1	Confident	63 Å²	63	39 Å²	39	34%	0.337	20%	0.198	S	C	.	.			trans	-59.4	128.9	168	175.4	12.4	0	0	0	109.8	Y174 A179 I180 V181	Y174-D177 WeakPolarHBondContact O-CB 3.4Å; Y174-D177 PolarHBondContact O-N 3.41Å; D177-A179 PolarHBondContact O-N 3.17Å; D177-A179 VanDerWaalsContact O-N 3.09Å; D177-A179 PolarHBondContact OD1-N 3.13Å; D177-A179 VanDerWaalsContact OD1-N 3.14Å; D177-I180 HydrophobicContact CB-CB 4.45Å; D177-I180 HydrophobicContact CB-CD1 4.43Å; D177-I180 HydrophobicContact CB-CG1 4.39Å; D177-I180 WeakPolarHBondContact O-CA 3.18Å; D177-I180 PolarHBondContact O-N 3.48Å; D177-V181 WeakPolarHBondContact O-CG2 3.27Å; D177-V181 PolarHBondContact O-N 2.93Å
178	S	89.5	Confident	89.1	Confident	51 Å²	51	43 Å²	43	36%	0.357	22%	0.217	S	C	.	.	H	α-helix	trans	-41.6	-41.6	173	61.7	0	0	0	0	114	K176 N182	K176-S178 PolarHBondContact O-N 2.87Å; S178-N182 WeakPolarHBondContact O-CB 3.4Å; S178-N182 PolarHBondContact O-N 3.01Å; S178-N182 PolarHBondContact O-ND2 3.04Å
179	A	88.2	Confident	89.2	Confident	34 Å²	34	45.5 Å²	45.5	28%	0.281	24%	0.238	S	C	.	.	H	α-helix	trans	-69.4	-38.8	-179.9	0	0	0	0	0	112.4	D177 G183 K213	D177-A179 PolarHBondContact O-N 3.17Å; D177-A179 VanDerWaalsContact O-N 3.09Å; D177-A179 PolarHBondContact OD1-N 3.13Å; D177-A179 VanDerWaalsContact OD1-N 3.14Å; A179-G183 PolarHBondContact O-N 3.36Å; A179-G183 VanDerWaalsContact O-N 3.15Å; A179-K213 HydrophobicContact CB-CD 4.44Å
180	I	90.8	Very high	89.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-70.5	-46.9	174.8	-66.7	178.7	0	0	0	110	V169 M173 D177 N182 G183 V184 F215	V169-I180 HydrophobicContact CG1-CD1 4.09Å; V169-I180 HydrophobicContact CG2-CG2 4.37Å; M173-I180 HydrophobicContact CB-CD1 4.2Å; M173-I180 HydrophobicContact CE-CD1 4.08Å; D177-I180 HydrophobicContact CB-CB 4.45Å; D177-I180 HydrophobicContact CB-CD1 4.43Å; D177-I180 HydrophobicContact CB-CG1 4.39Å; D177-I180 WeakPolarHBondContact O-CA 3.18Å; D177-I180 PolarHBondContact O-N 3.48Å; I180-N182 PolarHBondContact O-N 2.87Å; I180-G183 CarbonylContact O-C 3.59Å; I180-G183 WeakPolarHBondContact O-CA 3.4Å; I180-G183 PolarHBondContact O-N 3.17Å; I180-G183 VanDerWaalsContact O-N 3.11Å; I180-V184 HydrophobicContact CG2-CG2 4.07Å; I180-V184 WeakPolarHBondContact O-CB 3.34Å; I180-V184 VanDerWaalsContact O-CG2 3.31Å; I180-V184 WeakPolarHBondContact O-CG2 3.46Å; I180-V184 PolarHBondContact O-N 2.88Å; I180-F215 HydrophobicContact CG2-CB 4.17Å; I180-F215 HydrophobicContact CG2-CD1 4.17Å; I180-F215 HydrophobicContact CG2-CG 4.39Å
181	V	91.8	Very high	89.9	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-43.4	-177.3	179.3	0	0	0	0	111.6	L127 D177 V184 Y185	L127-V181 HydrophobicContact CD2-CG1 4.39Å; L127-V181 HydrophobicContact CG-CG1 4.29Å; L127-V181 WeakPolarHBondContact O-CG1 3.3Å; D177-V181 WeakPolarHBondContact O-CG2 3.27Å; D177-V181 PolarHBondContact O-N 2.93Å; V181-V184 PolarHBondContact O-N 3.36Å; V181-Y185 WeakPolarHBondContact O-CB 3.46Å; V181-Y185 PolarHBondContact O-N 3.01Å
182	N	92.5	Very high	90.4	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-44.1	171.9	-83.4	-92.9	0	0	0	111.6	H121 N124 S178 I180 Y185 W186	H121-N182 PolarHBondContact NE2-OD1 3.32Å; N124-N182 PolarHBondContact N-OD1 3.21Å; N124-N182 PolarHBondContact O-ND2 3.49Å; S178-N182 WeakPolarHBondContact O-CB 3.4Å; S178-N182 PolarHBondContact O-N 3.01Å; S178-N182 PolarHBondContact O-ND2 3.04Å; I180-N182 PolarHBondContact O-N 2.87Å; N182-Y185 PolarHBondContact O-N 3.06Å; N182-W186 PolarHBondContact O-N 2.84Å
183	G	92.1	Very high	91.2	Very high	6 Å²	6	45.8 Å²	45.8	6%	0.062	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-42.9	177.5	0	0	0	0	0	113.7	A179 I180 S187 F215	A179-G183 PolarHBondContact O-N 3.36Å; A179-G183 VanDerWaalsContact O-N 3.15Å; I180-G183 CarbonylContact O-C 3.59Å; I180-G183 WeakPolarHBondContact O-CA 3.4Å; I180-G183 PolarHBondContact O-N 3.17Å; I180-G183 VanDerWaalsContact O-N 3.11Å; G183-S187 VanDerWaalsContact O-CB 3.3Å; G183-S187 WeakPolarHBondContact O-CB 3.24Å; G183-S187 PolarHBondContact O-N 3.17Å; G183-S187 PolarHBondContact O-OG 3.05Å; G183-F215 WeakPolarHBondContact O-CZ 3.47Å
184	V	93.7	Very high	91.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-39.8	177.3	171.9	0	0	0	0	110.6	Y129 Y131 V167 I180 V181 S187 E188 F215 R217	Y129-V184 HydrophobicContact CD1-CG1 4.25Å; Y129-V184 HydrophobicContact CE1-CG1 3.93Å; Y131-V184 HydrophobicContact CD1-CG1 3.85Å; Y131-V184 HydrophobicContact CD2-CG1 4.18Å; Y131-V184 HydrophobicContact CE1-CG1 4.49Å; Y131-V184 HydrophobicContact CG-CG1 3.66Å; V167-V184 HydrophobicContact CG1-CG2 3.96Å; V167-V184 HydrophobicContact CG2-CG1 4.12Å; V167-V184 HydrophobicContact CG2-CG2 4.39Å; I180-V184 HydrophobicContact CG2-CG2 4.07Å; I180-V184 WeakPolarHBondContact O-CB 3.34Å; I180-V184 VanDerWaalsContact O-CG2 3.31Å; I180-V184 WeakPolarHBondContact O-CG2 3.46Å; I180-V184 PolarHBondContact O-N 2.88Å; V181-V184 PolarHBondContact O-N 3.36Å; V184-S187 WeakPolarHBondContact CA-OG 3.34Å; V184-S187 PolarHBondContact O-OG 2.96Å; V184-S187 VanDerWaalsContact O-OG 3.06Å; V184-E188 PolarHBondContact O-N 3.31Å; V184-F215 HydrophobicContact CG2-CD1 4.25Å; V184-F215 HydrophobicContact CG2-CD2 3.73Å; V184-F215 HydrophobicContact CG2-CE1 4.4Å; V184-F215 HydrophobicContact CG2-CE2 3.9Å; V184-F215 HydrophobicContact CG2-CG 3.92Å; V184-F215 HydrophobicContact CG2-CZ 4.25Å; V184-R217 PolarHBondContact O-NH2 3.33Å
185	Y	94.3	Very high	92.2	Very high	105 Å²	105	38.3 Å²	38.3	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-58.9	178.3	179.3	-109.2	0	0	0	112.8	H121 L127 Y129 V181 N182 S187 E188	H121-Y185 AromaticContact CE1-CD1 3.56Å; H121-Y185 AromaticContact ND1-CD1 3.63Å; H121-Y185 AromaticContact ND1-CE1 3.89Å; L127-Y185 HydrophobicContact CD2-CD1 4.11Å; L127-Y185 HydrophobicContact CD2-CG 3.93Å; Y129-Y185 AromaticContact CD2-CD2 3.51Å; Y129-Y185 HydrophobicContact CD2-CD2 3.51Å; Y129-Y185 HydrophobicContact CD2-CE2 4.09Å; Y129-Y185 AromaticContact CE2-CD2 3.69Å; Y129-Y185 HydrophobicContact CE2-CD2 3.69Å; Y129-Y185 HydrophobicContact CE2-CE2 4.2Å; Y129-Y185 AromaticContact CG-CD2 3.96Å; Y129-Y185 HydrophobicContact CG-CD2 3.96Å; V181-Y185 WeakPolarHBondContact O-CB 3.46Å; V181-Y185 PolarHBondContact O-N 3.01Å; N182-Y185 PolarHBondContact O-N 3.06Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 3.45Å; Y185-E188 VanDerWaalsContact O-CB 3.25Å; Y185-E188 WeakPolarHBondContact O-CB 3.28Å; Y185-E188 PolarHBondContact O-N 3.4Å; Y185-E188 VanDerWaalsContact O-N 3.1Å
186	W	94	Very high	92.7	Very high	22 Å²	22	38.9 Å²	38.9	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-31	-177.4	71.4	-107	0	0	0	112.6	A114 A117 H118 H121 N182 E188 A189 F209	A114-W186 HydrophobicContact CB-CH2 4.45Å; A114-W186 HydrophobicContact CB-CZ3 4.02Å; A114-W186 WeakPolarHBondContact O-CZ3 3.43Å; A117-W186 HydrophobicContact CB-CE3 3.93Å; H118-W186 HydrophobicContact CB-CD2 4.22Å; H118-W186 HydrophobicContact CB-CE3 4.26Å; H118-W186 HydrophobicContact CB-CZ3 4.45Å; H118-W186 AromaticContact ND1-NE1 3.89Å; H121-W186 HydrophobicContact CB-CB 3.8Å; H121-W186 HydrophobicContact CB-CG 4.37Å; H121-W186 AromaticContact CD2-CD1 3.92Å; N182-W186 PolarHBondContact O-N 2.84Å; W186-E188 PolarHBondContact O-N 2.88Å; W186-A189 PolarHBondContact O-N 2.99Å; W186-F209 AromaticContact CH2-CE1 3.77Å; W186-F209 HydrophobicContact CH2-CE1 3.77Å; W186-F209 HydrophobicContact CH2-CE2 4.33Å; W186-F209 AromaticContact CH2-CZ 3.57Å; W186-F209 HydrophobicContact CH2-CZ 3.57Å; W186-F209 HydrophobicContact CZ2-CE1 4.08Å; W186-F209 AromaticContact CZ2-CZ 3.98Å; W186-F209 HydrophobicContact CZ2-CZ 3.98Å
187	S	94.7	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-72.3	-4.2	177.2	64.1	0	0	0	0	114.1	G183 V184 Y185 A189 L190 R217	G183-S187 VanDerWaalsContact O-CB 3.3Å; G183-S187 WeakPolarHBondContact O-CB 3.24Å; G183-S187 PolarHBondContact O-N 3.17Å; G183-S187 PolarHBondContact O-OG 3.05Å; V184-S187 WeakPolarHBondContact CA-OG 3.34Å; V184-S187 PolarHBondContact O-OG 2.96Å; V184-S187 VanDerWaalsContact O-OG 3.06Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 3.45Å; S187-A189 PolarHBondContact O-N 3.21Å; S187-L190 WeakPolarHBondContact O-CB 3.22Å; S187-L190 PolarHBondContact O-N 3.37Å; S187-R217 WeakPolarHBondContact O-CD 3.5Å; S187-R217 PolarHBondContact O-NE 3.27Å; S187-R217 PolarHBondContact OG-NE 2.99Å; S187-R217 PolarHBondContact OG-NH2 3.47Å
188	E	93.8	Very high	93.3	Very high	85 Å²	85	32.5 Å²	32.5	40%	0.397	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-59.4	-33	170.8	-175.3	175.1	-168.2	0	0	112.1	Y129 V184 Y185 W186 L190 N191	Y129-E188 PolarHBondContact OH-OE2 3.4Å; V184-E188 PolarHBondContact O-N 3.31Å; Y185-E188 VanDerWaalsContact O-CB 3.25Å; Y185-E188 WeakPolarHBondContact O-CB 3.28Å; Y185-E188 PolarHBondContact O-N 3.4Å; Y185-E188 VanDerWaalsContact O-N 3.1Å; W186-E188 PolarHBondContact O-N 2.88Å; E188-L190 PolarHBondContact O-N 2.99Å; E188-N191 VanDerWaalsContact O-CB 3.31Å; E188-N191 WeakPolarHBondContact O-CB 3.37Å; E188-N191 PolarHBondContact O-N 3.04Å; E188-N191 PolarHBondContact O-ND2 3.01Å
189	A	94.3	Very high	93.2	Very high	55 Å²	55	37.1 Å²	37.1	46%	0.455	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-54.9	-27.2	178	0	0	0	0	0	113.4	A117 W186 S187 N191	A117-A189 HydrophobicContact CB-CB 3.85Å; W186-A189 PolarHBondContact O-N 2.99Å; S187-A189 PolarHBondContact O-N 3.21Å; A189-N191 VanDerWaalsContact C-N 3.27Å; A189-N191 PolarHBondContact O-N 3.3Å
190	L	95.6	Very high	93.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-22.9	178.6	-57.5	-179.3	0	0	0	113.4	L110 A113 A114 S187 E188 K192 V193 F194 F209	L110-L190 HydrophobicContact CD2-CD2 4.44Å; A113-L190 HydrophobicContact CB-CD2 4.05Å; A114-L190 HydrophobicContact CB-CD1 4.47Å; A114-L190 HydrophobicContact CB-CD2 3.98Å; S187-L190 WeakPolarHBondContact O-CB 3.22Å; S187-L190 PolarHBondContact O-N 3.37Å; E188-L190 PolarHBondContact O-N 2.99Å; L190-K192 VanDerWaalsContact C-N 3.25Å; L190-K192 PolarHBondContact O-N 3Å; L190-V193 PolarHBondContact O-N 3.2Å; L190-F194 HydrophobicContact CB-CD2 4.19Å; L190-F194 HydrophobicContact CB-CE2 3.71Å; L190-F194 HydrophobicContact CB-CZ 4.01Å; L190-F194 HydrophobicContact CD1-CZ 4.45Å; L190-F194 WeakPolarHBondContact O-CD2 3.4Å; L190-F194 WeakPolarHBondContact O-CG 3.38Å; L190-F194 PolarHBondContact O-N 2.97Å; L190-F209 HydrophobicContact CD1-CB 3.96Å; L190-F209 HydrophobicContact CD1-CD1 4.46Å; L190-F209 HydrophobicContact CD1-CG 4.16Å
191	N	94.3	Very high	93.1	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.112	21%	0.213	C	C	.	.	H	α-helix	trans	-51	-45.5	177.4	-82.2	-40.8	0	0	0	112.2	S165 E188 A189 F194 V195	S165-N191 VanDerWaalsContact CB-OD1 3.31Å; S165-N191 WeakPolarHBondContact CB-OD1 3.47Å; S165-N191 PolarHBondContact N-OD1 3.34Å; S165-N191 PolarHBondContact OG-OD1 2.88Å; E188-N191 VanDerWaalsContact O-CB 3.31Å; E188-N191 WeakPolarHBondContact O-CB 3.37Å; E188-N191 PolarHBondContact O-N 3.04Å; E188-N191 PolarHBondContact O-ND2 3.01Å; A189-N191 VanDerWaalsContact C-N 3.27Å; A189-N191 PolarHBondContact O-N 3.3Å; N191-F194 PolarHBondContact O-N 3.19Å; N191-V195 WeakPolarHBondContact O-CG2 3.45Å; N191-V195 PolarHBondContact O-N 3.32Å
192	K	94.6	Very high	92.7	Very high	147 Å²	147	45.7 Å²	45.7	64%	0.639	22%	0.22	S	C	*	.	H	α-helix	trans	-64	-44.5	179	-176.6	-176.3	173.7	-171.9	0	111.5	L190 V195 D196	L190-K192 VanDerWaalsContact C-N 3.25Å; L190-K192 PolarHBondContact O-N 3Å; K192-V195 PolarHBondContact O-N 2.94Å; K192-D196 WeakPolarHBondContact O-CB 3.35Å; K192-D196 VanDerWaalsContact O-CG 3.31Å; K192-D196 PolarHBondContact O-N 2.83Å
193	V	96.1	Very high	92.2	Very high	25 Å²	25	47.2 Å²	47.2	15%	0.152	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-34.5	-177	-173.1	0	0	0	0	111.4	R109 L110 A113 L190 D196 N197	R109-V193 HydrophobicContact CB-CG1 4.36Å; L110-V193 HydrophobicContact CD2-CB 3.81Å; L110-V193 HydrophobicContact CD2-CG1 3.58Å; L110-V193 HydrophobicContact CG-CG1 4.17Å; A113-V193 HydrophobicContact CB-CG2 3.72Å; L190-V193 PolarHBondContact O-N 3.2Å; V193-D196 PolarHBondContact O-N 3.28Å; V193-N197 WeakPolarHBondContact O-CB 3.07Å; V193-N197 PolarHBondContact O-N 3.14Å
194	F	95.6	Very high	92	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-43.7	172.7	-67.7	-46	0	0	0	112.4	L110 L190 N191 N197 F198 Q207 R217 Y219	L110-F194 HydrophobicContact CD1-CD1 3.95Å; L110-F194 HydrophobicContact CD1-CE1 3.7Å; L110-F194 HydrophobicContact CD2-CD1 3.55Å; L110-F194 HydrophobicContact CD2-CE1 3.6Å; L110-F194 HydrophobicContact CD2-CG 4.36Å; L110-F194 HydrophobicContact CD2-CZ 4.42Å; L110-F194 HydrophobicContact CG-CD1 4.42Å; L110-F194 HydrophobicContact CG-CE1 4.33Å; L190-F194 HydrophobicContact CB-CD2 4.19Å; L190-F194 HydrophobicContact CB-CE2 3.71Å; L190-F194 HydrophobicContact CB-CZ 4.01Å; L190-F194 HydrophobicContact CD1-CZ 4.45Å; L190-F194 WeakPolarHBondContact O-CD2 3.4Å; L190-F194 WeakPolarHBondContact O-CG 3.38Å; L190-F194 PolarHBondContact O-N 2.97Å; N191-F194 PolarHBondContact O-N 3.19Å; F194-N197 PolarHBondContact O-N 3.17Å; F194-F198 PolarHBondContact O-N 3.01Å; F194-F198 VanDerWaalsContact O-N 3.1Å; F194-Q207 HydrophobicContact CD1-CB 3.53Å; F194-Q207 HydrophobicContact CD1-CG 4.44Å; F194-Q207 HydrophobicContact CE1-CB 3.76Å; F194-Q207 PolarHBondContact O-NE2 3.13Å; F194-R217 HydrophobicContact CE2-CG 4.29Å; F194-Y219 HydrophobicContact CB-CD1 3.68Å; F194-Y219 HydrophobicContact CB-CD2 3.74Å; F194-Y219 HydrophobicContact CB-CE1 4.13Å; F194-Y219 HydrophobicContact CB-CE2 4.19Å; F194-Y219 HydrophobicContact CB-CG 3.46Å; F194-Y219 VanDerWaalsContact CB-CG 3.46Å; F194-Y219 HydrophobicContact CD2-CD2 4.44Å; F194-Y219 HydrophobicContact CD2-CG 4.15Å; F194-Y219 HydrophobicContact CG-CD1 4.33Å; F194-Y219 HydrophobicContact CG-CD2 4.4Å; F194-Y219 AromaticContact CG-CG 3.89Å; F194-Y219 HydrophobicContact CG-CG 3.89Å
195	V	94.2	Very high	91.6	Very high	33 Å²	33	47.9 Å²	47.9	20%	0.2	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-51.6	174.9	177.5	0	0	0	0	110.5	N191 K192 N197 F198 E199 Y219	N191-V195 WeakPolarHBondContact O-CG2 3.45Å; N191-V195 PolarHBondContact O-N 3.32Å; K192-V195 PolarHBondContact O-N 2.94Å; V195-N197 PolarHBondContact O-N 3.01Å; V195-N197 VanDerWaalsContact O-N 3.11Å; V195-F198 PolarHBondContact O-N 3.43Å; V195-E199 HydrophobicContact CG1-CG 4.31Å; V195-E199 PolarHBondContact O-N 2.9Å; V195-Y219 HydrophobicContact CG2-CE2 3.74Å
196	D	94.4	Very high	91.4	Very high	53 Å²	53	43.1 Å²	43.1	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-57.6	-26.9	177.1	-73	-4.3	0	0	0	112.7	K192 V193 R200	K192-D196 WeakPolarHBondContact O-CB 3.35Å; K192-D196 VanDerWaalsContact O-CG 3.31Å; K192-D196 PolarHBondContact O-N 2.83Å; V193-D196 PolarHBondContact O-N 3.28Å; D196-R200 WeakPolarHBondContact O-CD 3.31Å; D196-R200 WeakPolarHBondContact O-CG 3.41Å; D196-R200 PolarHBondContact O-NE 3.32Å
197	N	94.1	Very high	91.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-74	-50.3	172.5	-81.2	-8.9	0	0	0	111.8	A106 R109 V193 F194 V195 E199 R200 D201 L204 Q207	A106-N197 PolarHBondContact O-ND2 2.89Å; R109-N197 PolarHBondContact NH1-OD1 3.23Å; R109-N197 PolarHBondContact NH2-OD1 3.4Å; R109-N197 VanDerWaalsContact NH2-OD1 3.08Å; V193-N197 WeakPolarHBondContact O-CB 3.07Å; V193-N197 PolarHBondContact O-N 3.14Å; F194-N197 PolarHBondContact O-N 3.17Å; V195-N197 PolarHBondContact O-N 3.01Å; V195-N197 VanDerWaalsContact O-N 3.11Å; N197-E199 PolarHBondContact O-N 2.86Å; N197-R200 PolarHBondContact O-N 3.37Å; N197-D201 PolarHBondContact O-N 2.9Å; N197-L204 HydrophobicContact CB-CD1 3.99Å; N197-Q207 PolarHBondContact ND2-OE1 3.27Å
198	F	90.1	Very high	91.4	Very high	26 Å²	26	42.3 Å²	42.3	11%	0.114	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-34.8	-178.6	-175.3	-105.9	0	0	0	112.7	F155 L162 F194 V195 R200 D201 P202 L204 Y219	F155-F198 HydrophobicContact CE2-CE2 4.33Å; F155-F198 HydrophobicContact CE2-CZ 4.27Å; F155-F198 HydrophobicContact CZ-CE2 4.07Å; F155-F198 HydrophobicContact CZ-CZ 4.44Å; L162-F198 HydrophobicContact CD1-CE1 4.49Å; L162-F198 HydrophobicContact CD2-CE1 4.32Å; F194-F198 PolarHBondContact O-N 3.01Å; F194-F198 VanDerWaalsContact O-N 3.1Å; V195-F198 PolarHBondContact O-N 3.43Å; F198-R200 VanDerWaalsContact C-N 3.3Å; F198-R200 PolarHBondContact O-N 3.29Å; F198-D201 CarbonylContact O-C 3.51Å; F198-P202 WeakPolarHBondContact O-CA 3.35Å; F198-L204 HydrophobicContact CD2-CB 4.45Å; F198-Y219 HydrophobicContact CB-CE1 4.06Å; F198-Y219 HydrophobicContact CG-CE1 4.45Å
199	E	88.9	Confident	91.5	Very high	148 Å²	148	38.2 Å²	38.2	69%	0.692	19%	0.192	S	C	*	.	H	α-helix	trans	-66.7	-29.2	173.7	-71.1	-169.7	169.9	0	0	113.3	V195 N197	V195-E199 HydrophobicContact CG1-CG 4.31Å; V195-E199 PolarHBondContact O-N 2.9Å; N197-E199 PolarHBondContact O-N 2.86Å
200	R	89.4	Confident	91.6	Very high	171 Å²	171	35.6 Å²	35.6	65%	0.645	17%	0.171	S	C	*	.	H	α-helix	trans	-86.4	-32	177.6	-69.6	176.9	-161.6	-157.7	4.3	113.2	D196 N197 F198	D196-R200 WeakPolarHBondContact O-CD 3.31Å; D196-R200 WeakPolarHBondContact O-CG 3.41Å; D196-R200 PolarHBondContact O-NE 3.32Å; N197-R200 PolarHBondContact O-N 3.37Å; F198-R200 VanDerWaalsContact C-N 3.3Å; F198-R200 PolarHBondContact O-N 3.29Å
201	D	86.9	Confident	91.5	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.118	17%	0.172	C	C	.	.			trans	-136.1	83.9	-178.5	-175.8	-2.1	0	0	0	110	K103 N197 F198 S203 L204	K103-D201 WeakPolarHBondContact CD-OD2 3.26Å; K103-D201 WeakPolarHBondContact CE-OD2 3.31Å; K103-D201 IonicContact NZ-OD1 2.67Å; K103-D201 PolarHBondContact NZ-OD1 3.12Å; K103-D201 IonicContact NZ-OD2 3.66Å; K103-D201 PolarHBondContact NZ-OD2 3.02Å; N197-D201 PolarHBondContact O-N 2.9Å; F198-D201 CarbonylContact O-C 3.51Å; D201-S203 PolarHBondContact O-N 3.32Å; D201-S203 VanDerWaalsContact O-N 3.11Å; D201-S203 PolarHBondContact OD1-N 2.98Å; D201-S203 PolarHBondContact OD1-OG 3.24Å; D201-S203 VanDerWaalsContact OD1-OG 3.06Å; D201-L204 HydrophobicContact CB-CD1 3.96Å; D201-L204 HydrophobicContact CB-CG 4.12Å; D201-L204 WeakPolarHBondContact O-CB 3.22Å; D201-L204 WeakPolarHBondContact O-CG 3.24Å; D201-L204 PolarHBondContact O-N 2.92Å
202	P	83.6	Confident	91.4	Very high	30 Å²	30	35.3 Å²	35.3	20%	0.195	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.5	-178.2	-24.4	36.7	0	0	0	114.9	H154 F198	H154-P202 PolarHBondContact CE1-O 2.97Å; H154-P202 PolarHBondContact NE2-O 2.95Å; F198-P202 WeakPolarHBondContact O-CA 3.35Å
203	S	82.1	Confident	91.1	Very high	43 Å²	43	33.8 Å²	33.8	30%	0.301	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7	174.1	73.8	0	0	0	0	113.6	K103 D201 I205 E497	K103-S203 PolarHBondContact NZ-OG 2.7Å; D201-S203 PolarHBondContact O-N 3.32Å; D201-S203 VanDerWaalsContact O-N 3.11Å; D201-S203 PolarHBondContact OD1-N 2.98Å; D201-S203 PolarHBondContact OD1-OG 3.24Å; D201-S203 VanDerWaalsContact OD1-OG 3.06Å; S203-I205 PolarHBondContact O-N 3.13Å; S203-E497 VanDerWaalsContact CB-OE1 3.24Å; S203-E497 WeakPolarHBondContact CB-OE1 3.34Å; S203-E497 PolarHBondContact OG-OE1 3.31Å
204	L	87.4	Confident	90.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.			trans	-57.3	133.4	168.1	-70.7	167.7	0	0	0	111	K103 A106 H154 N197 F198 D201 T491	K103-L204 HydrophobicContact CD-CD2 3.56Å; K103-L204 HydrophobicContact CD-CG 4.39Å; A106-L204 HydrophobicContact CB-CD1 4.34Å; H154-L204 PolarHBondContact NE2-O 2.98Å; N197-L204 HydrophobicContact CB-CD1 3.99Å; F198-L204 HydrophobicContact CD2-CB 4.45Å; D201-L204 HydrophobicContact CB-CD1 3.96Å; D201-L204 HydrophobicContact CB-CG 4.12Å; D201-L204 WeakPolarHBondContact O-CB 3.22Å; D201-L204 WeakPolarHBondContact O-CG 3.24Å; D201-L204 PolarHBondContact O-N 2.92Å; L204-T491 HydrophobicContact CD2-CG2 4.05Å; L204-T491 WeakPolarHBondContact CD2-OG1 3.45Å
205	I	85.8	Confident	90.7	Very high	19 Å²	19	32.6 Å²	32.6	10%	0.097	16%	0.157	C	C	.	.			trans	-97.2	-98.7	168.7	-54	-156.9	0	0	0	109	F155 S203 P494	F155-I205 HydrophobicContact CD1-CG2 3.69Å; F155-I205 HydrophobicContact CE1-CB 4.4Å; F155-I205 HydrophobicContact CE1-CG2 3.74Å; F155-I205 WeakPolarHBondContact CE1-O 3.25Å; S203-I205 PolarHBondContact O-N 3.13Å; I205-P494 HydrophobicContact CD1-CG 3.36Å; I205-P494 HydrophobicContact CG1-CG 3.92Å
206	W	89.3	Confident	90.7	Very high	6 Å²	6	31.3 Å²	31.3	2%	0.023	15%	0.149	C	C	.	.			trans	-83.9	134.4	-176.5	-56.3	130.1	0	0	0	110.5	F155 Y208 Q218 P220 I222 D453 T491 D492	F155-W206 HydrophobicContact CD1-CE3 4.25Å; F155-W206 AromaticContact CD1-CH2 3.82Å; F155-W206 HydrophobicContact CD1-CH2 3.82Å; F155-W206 HydrophobicContact CD1-CZ2 4.38Å; F155-W206 AromaticContact CD1-CZ3 3.78Å; F155-W206 HydrophobicContact CD1-CZ3 3.78Å; F155-W206 HydrophobicContact CE1-CE3 4.24Å; F155-W206 HydrophobicContact CE1-CZ3 4.1Å; W206-Y208 HydrophobicContact CB-CD1 4.06Å; W206-Y208 HydrophobicContact CB-CE1 4.17Å; W206-Q218 HydrophobicContact CE3-CG 4.44Å; W206-P220 HydrophobicContact CE3-CG 4.46Å; W206-P220 HydrophobicContact CZ3-CG 3.98Å; W206-I222 HydrophobicContact CH2-CD1 4.07Å; W206-I222 HydrophobicContact CH2-CG2 3.9Å; W206-I222 HydrophobicContact CZ3-CD1 4.36Å; W206-I222 HydrophobicContact CZ3-CG2 3.9Å; W206-D453 PolarHBondContact NE1-OD2 2.94Å; W206-T491 WeakPolarHBondContact O-CA 3.4Å; W206-T491 VanDerWaalsContact O-CB 3.28Å; W206-T491 WeakPolarHBondContact O-CB 3.34Å; W206-T491 PolarHBondContact O-OG1 2.94Å; W206-D492 HydrophobicContact CB-CB 4.46Å; W206-D492 PolarHBondContact O-N 3.01Å
207	Q	94.1	Very high	90.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.1	165.4	-63.2	177.1	77.5	0	0	107.9	M107 F194 N197 Y219	M107-Q207 HydrophobicContact CE-CG 4.49Å; F194-Q207 HydrophobicContact CD1-CB 3.53Å; F194-Q207 HydrophobicContact CD1-CG 4.44Å; F194-Q207 HydrophobicContact CE1-CB 3.76Å; F194-Q207 PolarHBondContact O-NE2 3.13Å; N197-Q207 PolarHBondContact ND2-OE1 3.27Å; Q207-Y219 PolarHBondContact N-O 3.24Å; Q207-Y219 PolarHBondContact O-N 2.88Å
208	Y	94.9	Very high	90.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	162	-175.4	48.3	-103.1	0	0	0	114.5	W206 F216 R217 W241 T467 V489 G490 D492	W206-Y208 HydrophobicContact CB-CD1 4.06Å; W206-Y208 HydrophobicContact CB-CE1 4.17Å; Y208-F216 HydrophobicContact CD1-CE2 4.26Å; Y208-F216 AromaticContact CD1-CZ 3.86Å; Y208-F216 HydrophobicContact CD1-CZ 3.86Å; Y208-F216 AromaticContact CD2-CE2 3.53Å; Y208-F216 HydrophobicContact CD2-CE2 3.53Å; Y208-F216 AromaticContact CD2-CZ 4Å; Y208-F216 HydrophobicContact CD2-CZ 4Å; Y208-F216 HydrophobicContact CE2-CE2 4.23Å; Y208-F216 AromaticContact CG-CE2 3.52Å; Y208-F216 HydrophobicContact CG-CE2 3.52Å; Y208-F216 AromaticContact CG-CZ 3.54Å; Y208-F216 HydrophobicContact CG-CZ 3.54Å; Y208-R217 CarbonylContact C-O 3.53Å; Y208-R217 WeakPolarHBondContact CA-O 3.41Å; Y208-R217 WeakPolarHBondContact CB-O 3.2Å; Y208-W241 AromaticContact CD2-CH2 3.76Å; Y208-W241 HydrophobicContact CD2-CH2 3.76Å; Y208-W241 AromaticContact CD2-CZ2 3.94Å; Y208-W241 HydrophobicContact CD2-CZ2 3.94Å; Y208-W241 HydrophobicContact CD2-CZ3 4.17Å; Y208-W241 AromaticContact CE2-CD2 3.88Å; Y208-W241 HydrophobicContact CE2-CD2 3.88Å; Y208-W241 AromaticContact CE2-CE2 3.6Å; Y208-W241 AromaticContact CE2-CE3 3.94Å; Y208-W241 HydrophobicContact CE2-CE3 3.94Å; Y208-W241 AromaticContact CE2-CH2 3.58Å; Y208-W241 HydrophobicContact CE2-CH2 3.58Å; Y208-W241 AromaticContact CE2-CZ2 3.48Å; Y208-W241 HydrophobicContact CE2-CZ2 3.48Å; Y208-W241 VanDerWaalsContact CE2-CZ2 3.48Å; Y208-W241 AromaticContact CE2-CZ3 3.79Å; Y208-W241 HydrophobicContact CE2-CZ3 3.79Å; Y208-T467 WeakPolarHBondContact OH-CG2 3.35Å; Y208-T467 PolarHBondContact OH-OG1 3.47Å; Y208-V489 VanDerWaalsContact O-CA 3.3Å; Y208-V489 WeakPolarHBondContact O-CA 3.4Å; Y208-G490 PolarHBondContact N-O 3.17Å; Y208-G490 PolarHBondContact O-N 3.19Å; Y208-D492 WeakPolarHBondContact CE1-OD1 3.47Å; Y208-D492 PolarHBondContact OH-OD1 2.75Å
209	F	96.6	Very high	90.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.8	169.9	172.1	-110.9	0	0	0	108.8	W186 L190 F215 R217 V472 V489	W186-F209 AromaticContact CH2-CE1 3.77Å; W186-F209 HydrophobicContact CH2-CE1 3.77Å; W186-F209 HydrophobicContact CH2-CE2 4.33Å; W186-F209 AromaticContact CH2-CZ 3.57Å; W186-F209 HydrophobicContact CH2-CZ 3.57Å; W186-F209 HydrophobicContact CZ2-CE1 4.08Å; W186-F209 AromaticContact CZ2-CZ 3.98Å; W186-F209 HydrophobicContact CZ2-CZ 3.98Å; L190-F209 HydrophobicContact CD1-CB 3.96Å; L190-F209 HydrophobicContact CD1-CD1 4.46Å; L190-F209 HydrophobicContact CD1-CG 4.16Å; F209-F215 HydrophobicContact CD1-CE2 4.26Å; F209-F215 HydrophobicContact CE1-CE2 4.21Å; F209-F215 HydrophobicContact CE1-CZ 4.04Å; F209-R217 PolarHBondContact N-O 2.77Å; F209-R217 PolarHBondContact O-N 2.68Å; F209-V472 HydrophobicContact CD2-CG2 4.44Å; F209-V472 HydrophobicContact CE2-CB 4.29Å; F209-V472 HydrophobicContact CE2-CG2 4.17Å; F209-V489 HydrophobicContact CB-CG1 4.22Å; F209-V489 HydrophobicContact CD2-CG1 3.77Å; F209-V489 HydrophobicContact CG-CG1 4.46Å
210	G	95.6	Very high	91	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.4	168.6	0	0	0	0	0	109.7	G487 V488	G210-G487 CarbonylContact O-C 3.58Å; G210-G487 WeakPolarHBondContact O-CA 3.5Å; G210-V488 PolarHBondContact N-O 3.02Å; G210-V488 PolarHBondContact O-N 3.5Å
211	S	94.6	Very high	91.1	Very high	5 Å²	5	13 Å²	13	4%	0.035	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	148.6	-179.2	-174.3	0	0	0	0	112.4	K213 G214 F215 L486	S211-K213 PolarHBondContact O-N 2.9Å; S211-K213 VanDerWaalsContact O-N 3.16Å; S211-K213 PolarHBondContact OG-N 3.11Å; S211-G214 PolarHBondContact O-N 2.6Å; S211-F215 WeakPolarHBondContact CB-O 3.47Å; S211-F215 PolarHBondContact N-O 2.97Å; S211-F215 WeakPolarHBondContact OG-CE1 3.47Å; S211-L486 PolarHBondContact OG-O 3.35Å
212	A	91.3	Very high	91.2	Very high	10 Å²	10	12.3 Å²	12.3	8%	0.083	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.3	162.1	0	0	0	0	0	112.7	G214 Y242 H431 L485 L486	A212-G214 VanDerWaalsContact C-N 3.25Å; A212-G214 PolarHBondContact O-N 2.88Å; A212-Y242 WeakPolarHBondContact CA-OH 3.46Å; A212-H431 VanDerWaalsContact CB-CE1 3.49Å; A212-H431 WeakPolarHBondContact CB-CE1 3.46Å; A212-L485 WeakPolarHBondContact CB-O 3.38Å; A212-L486 WeakPolarHBondContact CB-O 3.47Å; A212-L486 PolarHBondContact N-O 2.9Å
213	K	89.1	Confident	91.4	Very high	114 Å²	114	14.4 Å²	14.4	50%	0.496	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	19.3	175.2	-55.3	-56.2	-176.1	-177.9	0	113.7	M173 A179 S211 F215	M173-K213 WeakPolarHBondContact CE-O 3.42Å; A179-K213 HydrophobicContact CB-CD 4.44Å; S211-K213 PolarHBondContact O-N 2.9Å; S211-K213 VanDerWaalsContact O-N 3.16Å; S211-K213 PolarHBondContact OG-N 3.11Å; K213-F215 VanDerWaalsContact C-N 3.27Å; K213-F215 HydrophobicContact CB-CD1 4.33Å; K213-F215 HydrophobicContact CB-CE1 4.47Å; K213-F215 PolarHBondContact O-N 3.07Å; K213-F215 VanDerWaalsContact O-N 3.08Å
214	G	89	Confident	91.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	80.5	-24.5	169.7	0	0	0	0	0	116.7	P170 S211 A212	P170-G214 WeakPolarHBondContact CD-O 3.23Å; S211-G214 PolarHBondContact O-N 2.6Å; A212-G214 VanDerWaalsContact C-N 3.25Å; A212-G214 PolarHBondContact O-N 2.88Å
215	F	93.1	Very high	91.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.09	C	C	.	.			trans	-68.2	147.1	175.6	77.8	-94	0	0	0	112.3	V167 Q168 V169 I180 G183 V184 F209 S211 K213	V167-F215 HydrophobicContact CG1-CB 4.09Å; V167-F215 HydrophobicContact CG1-CD2 3.99Å; V167-F215 HydrophobicContact CG1-CG 4.43Å; Q168-F215 WeakPolarHBondContact O-CA 3.36Å; V169-F215 HydrophobicContact CG2-CB 4.1Å; I180-F215 HydrophobicContact CG2-CB 4.17Å; I180-F215 HydrophobicContact CG2-CD1 4.17Å; I180-F215 HydrophobicContact CG2-CG 4.39Å; G183-F215 WeakPolarHBondContact O-CZ 3.47Å; V184-F215 HydrophobicContact CG2-CD1 4.25Å; V184-F215 HydrophobicContact CG2-CD2 3.73Å; V184-F215 HydrophobicContact CG2-CE1 4.4Å; V184-F215 HydrophobicContact CG2-CE2 3.9Å; V184-F215 HydrophobicContact CG2-CG 3.92Å; V184-F215 HydrophobicContact CG2-CZ 4.25Å; F209-F215 HydrophobicContact CD1-CE2 4.26Å; F209-F215 HydrophobicContact CE1-CE2 4.21Å; F209-F215 HydrophobicContact CE1-CZ 4.04Å; S211-F215 WeakPolarHBondContact CB-O 3.47Å; S211-F215 PolarHBondContact N-O 2.97Å; S211-F215 WeakPolarHBondContact OG-CE1 3.47Å; K213-F215 VanDerWaalsContact C-N 3.27Å; K213-F215 HydrophobicContact CB-CD1 4.33Å; K213-F215 HydrophobicContact CB-CE1 4.47Å; K213-F215 PolarHBondContact O-N 3.07Å; K213-F215 VanDerWaalsContact O-N 3.08Å
216	F	94.5	Very high	91.1	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.5	-175.5	178.5	-109	0	0	0	110.2	V167 Q168 Y208 Q218 W224 F234 C236 W241	V167-F216 CarbonylContact C-O 3.33Å; V167-F216 WeakPolarHBondContact CA-O 3.47Å; Q168-F216 HydrophobicContact CB-CB 4.47Å; Q168-F216 HydrophobicContact CB-CD1 4.44Å; Q168-F216 PolarHBondContact N-O 2.99Å; Q168-F216 PolarHBondContact O-N 3.42Å; Y208-F216 HydrophobicContact CD1-CE2 4.26Å; Y208-F216 AromaticContact CD1-CZ 3.86Å; Y208-F216 HydrophobicContact CD1-CZ 3.86Å; Y208-F216 AromaticContact CD2-CE2 3.53Å; Y208-F216 HydrophobicContact CD2-CE2 3.53Å; Y208-F216 AromaticContact CD2-CZ 4Å; Y208-F216 HydrophobicContact CD2-CZ 4Å; Y208-F216 HydrophobicContact CE2-CE2 4.23Å; Y208-F216 AromaticContact CG-CE2 3.52Å; Y208-F216 HydrophobicContact CG-CE2 3.52Å; Y208-F216 AromaticContact CG-CZ 3.54Å; Y208-F216 HydrophobicContact CG-CZ 3.54Å; F216-Q218 HydrophobicContact CD1-CB 4.27Å; F216-Q218 HydrophobicContact CE1-CB 3.78Å; F216-Q218 HydrophobicContact CE1-CG 4.13Å; F216-Q218 HydrophobicContact CZ-CB 4.45Å; F216-W224 HydrophobicContact CD1-CZ2 4.29Å; F216-W224 HydrophobicContact CE1-CZ2 4.05Å; F216-F234 HydrophobicContact CB-CE1 4.28Å; F216-F234 AromaticContact CD1-CE1 3.87Å; F216-F234 HydrophobicContact CD1-CE1 3.87Å; F216-F234 HydrophobicContact CD1-CZ 4.3Å; F216-F234 HydrophobicContact CD2-CE1 4.14Å; F216-F234 HydrophobicContact CD2-CZ 4.43Å; F216-F234 HydrophobicContact CE1-CE1 4.17Å; F216-F234 HydrophobicContact CE1-CZ 4.13Å; F216-F234 HydrophobicContact CE2-CE1 4.41Å; F216-F234 HydrophobicContact CE2-CZ 4.25Å; F216-F234 AromaticContact CG-CE1 3.85Å; F216-F234 HydrophobicContact CG-CE1 3.85Å; F216-F234 HydrophobicContact CG-CZ 4.44Å; F216-F234 HydrophobicContact CZ-CE1 4.43Å; F216-F234 HydrophobicContact CZ-CZ 4.11Å; F216-C236 HydrophobicContact CB-CB 4.22Å; F216-C236 HydrophobicContact CD2-CB 3.71Å; F216-C236 HydrophobicContact CE2-CB 4.47Å; F216-C236 HydrophobicContact CG-CB 4.29Å; F216-W241 HydrophobicContact CD2-CH2 4.4Å; F216-W241 HydrophobicContact CD2-CZ2 4.38Å; F216-W241 HydrophobicContact CE2-CH2 4.06Å; F216-W241 AromaticContact CE2-CZ2 3.83Å; F216-W241 HydrophobicContact CE2-CZ2 3.83Å
217	R	95.3	Very high	90.5	Very high	8 Å²	8	25.5 Å²	25.5	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.6	177.3	-177.9	-178.3	-78.2	-87.8	11.3	109.5	S165 V166 V167 V184 S187 F194 Y208 F209	S165-R217 WeakPolarHBondContact OG-CG 3.2Å; S165-R217 PolarHBondContact OG-NH1 2.63Å; V166-R217 CarbonylContact O-C 3.59Å; V166-R217 WeakPolarHBondContact O-CA 3.35Å; V167-R217 HydrophobicContact CG2-CB 4.24Å; V167-R217 HydrophobicContact CG2-CG 4.24Å; V184-R217 PolarHBondContact O-NH2 3.33Å; S187-R217 WeakPolarHBondContact O-CD 3.5Å; S187-R217 PolarHBondContact O-NE 3.27Å; S187-R217 PolarHBondContact OG-NE 2.99Å; S187-R217 PolarHBondContact OG-NH2 3.47Å; F194-R217 HydrophobicContact CE2-CG 4.29Å; Y208-R217 CarbonylContact C-O 3.53Å; Y208-R217 WeakPolarHBondContact CA-O 3.41Å; Y208-R217 WeakPolarHBondContact CB-O 3.2Å; F209-R217 PolarHBondContact N-O 2.77Å; F209-R217 PolarHBondContact O-N 2.68Å
218	Q	93.3	Very high	89.6	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.1	-174.5	-171.4	-177.6	19.4	0	0	112.2	S165 V166 W206 F216	S165-Q218 CarbonylContact C-O 3.58Å; S165-Q218 WeakPolarHBondContact CA-O 3.45Å; S165-Q218 WeakPolarHBondContact CB-O 3.33Å; V166-Q218 HydrophobicContact CG2-CB 4.39Å; V166-Q218 PolarHBondContact N-O 3.25Å; V166-Q218 PolarHBondContact O-N 2.97Å; W206-Q218 HydrophobicContact CE3-CG 4.44Å; F216-Q218 HydrophobicContact CD1-CB 4.27Å; F216-Q218 HydrophobicContact CE1-CB 3.78Å; F216-Q218 HydrophobicContact CE1-CG 4.13Å; F216-Q218 HydrophobicContact CZ-CB 4.45Å
219	Y	93.2	Very high	88.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.3	172.2	175.1	-85.4	0	0	0	111.3	L162 F194 V195 F198 Q207	L162-Y219 WeakPolarHBondContact O-CE2 3.39Å; L162-Y219 PolarHBondContact O-OH 2.91Å; F194-Y219 HydrophobicContact CB-CD1 3.68Å; F194-Y219 HydrophobicContact CB-CD2 3.74Å; F194-Y219 HydrophobicContact CB-CE1 4.13Å; F194-Y219 HydrophobicContact CB-CE2 4.19Å; F194-Y219 HydrophobicContact CB-CG 3.46Å; F194-Y219 VanDerWaalsContact CB-CG 3.46Å; F194-Y219 HydrophobicContact CD2-CD2 4.44Å; F194-Y219 HydrophobicContact CD2-CG 4.15Å; F194-Y219 HydrophobicContact CG-CD1 4.33Å; F194-Y219 HydrophobicContact CG-CD2 4.4Å; F194-Y219 AromaticContact CG-CG 3.89Å; F194-Y219 HydrophobicContact CG-CG 3.89Å; V195-Y219 HydrophobicContact CG2-CE2 3.74Å; F198-Y219 HydrophobicContact CB-CE1 4.06Å; F198-Y219 HydrophobicContact CG-CE1 4.45Å; Q207-Y219 PolarHBondContact N-O 3.24Å; Q207-Y219 PolarHBondContact O-N 2.88Å
220	P	92.2	Very high	87.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	S	Bend	cis	-66.2	162.3	-9.3	29.9	-37.6	0	0	0	112.2	F155 V160 N161 L162 W206	F155-P220 HydrophobicContact CD1-CG 4Å; F155-P220 HydrophobicContact CD2-CG 4.39Å; F155-P220 VanDerWaalsContact CE1-CD 3.44Å; F155-P220 HydrophobicContact CE1-CG 3.46Å; F155-P220 VanDerWaalsContact CE1-CG 3.46Å; F155-P220 HydrophobicContact CE2-CG 3.9Å; F155-P220 HydrophobicContact CG-CG 4.45Å; F155-P220 HydrophobicContact CZ-CG 3.42Å; F155-P220 VanDerWaalsContact CZ-CG 3.42Å; V160-P220 HydrophobicContact CB-CB 4.22Å; V160-P220 HydrophobicContact CB-CG 4.04Å; V160-P220 HydrophobicContact CG1-CG 4.28Å; V160-P220 HydrophobicContact CG2-CG 4.37Å; N161-P220 WeakPolarHBondContact O-CB 3.39Å; L162-P220 HydrophobicContact CD2-CB 4.03Å; L162-P220 HydrophobicContact CD2-CG 4.31Å; W206-P220 HydrophobicContact CE3-CG 4.46Å; W206-P220 HydrophobicContact CZ3-CG 3.98Å
221	G	90.9	Very high	86.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.3	-177.6	0	0	0	0	0	112.8	L149 V160 N161 L164	L149-G221 WeakPolarHBondContact CD2-O 3.45Å; V160-G221 CarbonylContact C-O 3.57Å; V160-G221 WeakPolarHBondContact CA-O 3.46Å; N161-G221 PolarHBondContact N-O 2.89Å; N161-G221 PolarHBondContact O-N 3.43Å; N161-G221 VanDerWaalsContact O-N 3.07Å; L164-G221 WeakPolarHBondContact O-CA 3.42Å; L164-G221 PolarHBondContact O-N 2.94Å
222	I	89.8	Confident	85.5	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.6	179.2	62.5	170.5	0	0	0	111.8	V160 W206 T455	V160-I222 HydrophobicContact CB-CG2 4.23Å; V160-I222 HydrophobicContact CG1-CG2 3.74Å; W206-I222 HydrophobicContact CH2-CD1 4.07Å; W206-I222 HydrophobicContact CH2-CG2 3.9Å; W206-I222 HydrophobicContact CZ3-CD1 4.36Å; W206-I222 HydrophobicContact CZ3-CG2 3.9Å; I222-T455 HydrophobicContact CD1-CG2 4.36Å
223	K	87.9	Confident	84.7	Confident	74 Å²	74	51.3 Å²	51.3	32%	0.322	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-83.7	123.1	168.9	-175.2	160.8	-177.1	146.5	0	110.3	A134 V135 I137 E139 L149	A134-K223 CarbonylContact O-C 3.59Å; A134-K223 WeakPolarHBondContact O-CA 3.32Å; V135-K223 WeakPolarHBondContact O-CE 3.39Å; V135-K223 PolarHBondContact O-NZ 3.03Å; I137-K223 HydrophobicContact CD1-CB 3.87Å; I137-K223 HydrophobicContact CD1-CG 4.5Å; I137-K223 HydrophobicContact CG1-CB 3.99Å; I137-K223 HydrophobicContact CG1-CD 4.22Å; I137-K223 HydrophobicContact CG1-CG 4.07Å; I137-K223 PolarHBondContact O-NZ 3.49Å; E139-K223 IonicContact OE1-NZ 3.76Å; E139-K223 PolarHBondContact OE1-NZ 2.98Å; L149-K223 HydrophobicContact CD1-CB 3.97Å
224	W	86.1	Confident	84.5	Confident	23 Å²	23	46.5 Å²	46.5	9%	0.087	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-85.5	138.6	171.1	-76.3	53	0	0	0	109.6	A134 Q168 F216 I232 F234 T455	A134-W224 HydrophobicContact CB-CB 4.33Å; A134-W224 HydrophobicContact CB-CG 4.01Å; A134-W224 PolarHBondContact O-N 3.11Å; Q168-W224 HydrophobicContact CG-CD2 4.37Å; Q168-W224 HydrophobicContact CG-CE3 4.19Å; Q168-W224 HydrophobicContact CG-CZ3 4.32Å; F216-W224 HydrophobicContact CD1-CZ2 4.29Å; F216-W224 HydrophobicContact CE1-CZ2 4.05Å; W224-I232 HydrophobicContact CE3-CG2 4.15Å; W224-I232 HydrophobicContact CZ3-CG2 4.22Å; W224-F234 HydrophobicContact CH2-CB 4.2Å; W224-F234 AromaticContact CH2-CD1 3.84Å; W224-F234 HydrophobicContact CH2-CD1 3.84Å; W224-F234 AromaticContact CH2-CD2 3.68Å; W224-F234 HydrophobicContact CH2-CD2 3.68Å; W224-F234 HydrophobicContact CH2-CE1 4.1Å; W224-F234 AromaticContact CH2-CE2 3.98Å; W224-F234 HydrophobicContact CH2-CE2 3.98Å; W224-F234 AromaticContact CH2-CG 3.64Å; W224-F234 HydrophobicContact CH2-CG 3.64Å; W224-F234 HydrophobicContact CH2-CZ 4.17Å; W224-F234 HydrophobicContact CZ3-CB 3.69Å; W224-F234 HydrophobicContact CZ3-CD1 4.13Å; W224-F234 AromaticContact CZ3-CD2 3.98Å; W224-F234 HydrophobicContact CZ3-CD2 3.98Å; W224-F234 AromaticContact CZ3-CG 3.68Å; W224-F234 HydrophobicContact CZ3-CG 3.68Å; W224-T455 HydrophobicContact CH2-CG2 4.06Å; W224-T455 HydrophobicContact CZ2-CG2 3.72Å
225	K	81.9	Confident	84.4	Confident	143 Å²	143	47.3 Å²	47.3	62%	0.622	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-102.6	128.8	172.4	-62.9	174.4	-176	168.3	0	108.3	D457	K225-D457 IonicContact NZ-OD1 3.4Å; K225-D457 IonicContact NZ-OD2 2.72Å; K225-D457 PolarHBondContact NZ-OD2 3.02Å
226	P	80.7	Confident	84.3	Confident	58 Å²	58	47.3 Å²	47.3	38%	0.377	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-70.5	169.9	167.8	32.3	-34.4	0	0	0	110.9	I232	P226-I232 HydrophobicContact CB-CD1 4.5Å; P226-I232 HydrophobicContact CB-CG1 4Å
227	D	75.8	Confident	84.1	Confident	77 Å²	77	47.6 Å²	47.6	41%	0.412	26%	0.264	S	S	.	.			trans	-71.7	179.2	172.2	73.5	4.7	0	0	0	112.9	H229 G230 V231	D227-H229 PolarHBondContact O-N 3.48Å; D227-H229 WeakPolarHBondContact OD1-CA 3.45Å; D227-H229 WeakPolarHBondContact OD1-CB 3.22Å; D227-H229 PolarHBondContact OD1-N 3.48Å; D227-H229 IonicContact OD2-ND1 2.64Å; D227-G230 PolarHBondContact O-N 2.9Å; D227-G230 PolarHBondContact OD1-N 3.07Å; D227-V231 PolarHBondContact N-O 2.87Å; D227-V231 PolarHBondContact OD1-N 2.89Å
228	D	76.1	Confident	83.7	Confident	172 Å²	172	49.7 Å²	49.7	92%	0.92	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.7	177.8	-66	-33.4	0	0	0	113.9
229	H	73.1	Confident	83.5	Confident	162 Å²	162	53.3 Å²	53.3	75%	0.75	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	2	178.8	-54.1	95.3	0	0	0	112.8	D227 V231	D227-H229 PolarHBondContact O-N 3.48Å; D227-H229 WeakPolarHBondContact OD1-CA 3.45Å; D227-H229 WeakPolarHBondContact OD1-CB 3.22Å; D227-H229 PolarHBondContact OD1-N 3.48Å; D227-H229 IonicContact OD2-ND1 2.64Å; H229-V231 HydrophobicContact CB-CG2 4.33Å
230	G	70.6	Confident	83.3	Confident	48 Å²	48	55.6 Å²	55.6	50%	0.495	30%	0.3	S	S	.	.	S	Bend	trans	79.8	12.3	-177.7	0	0	0	0	0	114.5	D227	D227-G230 PolarHBondContact O-N 2.9Å; D227-G230 PolarHBondContact OD1-N 3.07Å
231	V	74.1	Confident	83.3	Confident	63 Å²	63	56 Å²	56	38%	0.382	30%	0.301	S	S	.	.			trans	-100.9	146.4	-174.7	-176.7	0	0	0	0	110.9	D227 H229	D227-V231 PolarHBondContact N-O 2.87Å; D227-V231 PolarHBondContact OD1-N 2.89Å; H229-V231 HydrophobicContact CB-CG2 4.33Å
232	I	77	Confident	83.4	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.097	30%	0.302	C	S	.	.			trans	-117	103.3	169.4	-65.9	175	0	0	0	108.2	V135 T171 W224 P226 F234	V135-I232 HydrophobicContact CB-CD1 4.38Å; V135-I232 HydrophobicContact CG1-CD1 4.2Å; V135-I232 HydrophobicContact CG2-CD1 3.29Å; T171-I232 PolarHBondContact OG1-N 2.99Å; T171-I232 VanDerWaalsContact OG1-N 3.14Å; W224-I232 HydrophobicContact CE3-CG2 4.15Å; W224-I232 HydrophobicContact CZ3-CG2 4.22Å; P226-I232 HydrophobicContact CB-CD1 4.5Å; P226-I232 HydrophobicContact CB-CG1 4Å; I232-F234 HydrophobicContact CG2-CB 3.79Å; I232-F234 PolarHBondContact O-N 3.02Å
233	A	74.5	Confident	83.5	Confident	97 Å²	97	56 Å²	56	80%	0.802	30%	0.301	S	S	*	.			trans	-72.8	17.6	177.6	0	0	0	0	0	114.2
234	F	85.2	Confident	83.7	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.061	29%	0.294	C	S	.	.			trans	-96.7	112	178.5	-173.1	-78.9	0	0	0	110.6	Q168 F216 W224 I232 C236 S454	Q168-F234 PolarHBondContact NE2-O 2.93Å; F216-F234 HydrophobicContact CB-CE1 4.28Å; F216-F234 AromaticContact CD1-CE1 3.87Å; F216-F234 HydrophobicContact CD1-CE1 3.87Å; F216-F234 HydrophobicContact CD1-CZ 4.3Å; F216-F234 HydrophobicContact CD2-CE1 4.14Å; F216-F234 HydrophobicContact CD2-CZ 4.43Å; F216-F234 HydrophobicContact CE1-CE1 4.17Å; F216-F234 HydrophobicContact CE1-CZ 4.13Å; F216-F234 HydrophobicContact CE2-CE1 4.41Å; F216-F234 HydrophobicContact CE2-CZ 4.25Å; F216-F234 AromaticContact CG-CE1 3.85Å; F216-F234 HydrophobicContact CG-CE1 3.85Å; F216-F234 HydrophobicContact CG-CZ 4.44Å; F216-F234 HydrophobicContact CZ-CE1 4.43Å; F216-F234 HydrophobicContact CZ-CZ 4.11Å; W224-F234 HydrophobicContact CH2-CB 4.2Å; W224-F234 AromaticContact CH2-CD1 3.84Å; W224-F234 HydrophobicContact CH2-CD1 3.84Å; W224-F234 AromaticContact CH2-CD2 3.68Å; W224-F234 HydrophobicContact CH2-CD2 3.68Å; W224-F234 HydrophobicContact CH2-CE1 4.1Å; W224-F234 AromaticContact CH2-CE2 3.98Å; W224-F234 HydrophobicContact CH2-CE2 3.98Å; W224-F234 AromaticContact CH2-CG 3.64Å; W224-F234 HydrophobicContact CH2-CG 3.64Å; W224-F234 HydrophobicContact CH2-CZ 4.17Å; W224-F234 HydrophobicContact CZ3-CB 3.69Å; W224-F234 HydrophobicContact CZ3-CD1 4.13Å; W224-F234 AromaticContact CZ3-CD2 3.98Å; W224-F234 HydrophobicContact CZ3-CD2 3.98Å; W224-F234 AromaticContact CZ3-CG 3.68Å; W224-F234 HydrophobicContact CZ3-CG 3.68Å; I232-F234 HydrophobicContact CG2-CB 3.79Å; I232-F234 PolarHBondContact O-N 3.02Å; F234-C236 HydrophobicContact CE1-CB 4.05Å; F234-S454 WeakPolarHBondContact CD2-OG 3.21Å; F234-S454 VanDerWaalsContact CE2-OG 3.29Å; F234-S454 WeakPolarHBondContact CE2-OG 3.45Å
235	D	87.8	Confident	83.9	Confident	16 Å²	16	53.2 Å²	53.2	9%	0.086	29%	0.29	C	S	.	.			trans	-108.7	142.9	155.4	-164.2	-41.8	0	0	0	107.9	P170 R237 R239	P170-D235 HydrophobicContact CG-CB 4.31Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 WeakPolarHBondContact OD1-CG 3.41Å; D235-R237 PolarHBondContact OD1-N 3.17Å; D235-R237 IonicContact OD1-NE 3.75Å; D235-R237 PolarHBondContact OD1-NE 3.33Å; D235-R237 VanDerWaalsContact OD1-NE 3.15Å; D235-R237 IonicContact OD2-CZ 3.33Å; D235-R237 IonicContact OD2-NE 2.77Å; D235-R237 PolarHBondContact OD2-NE 3.02Å; D235-R237 IonicContact OD2-NH2 3.1Å; D235-R237 PolarHBondContact OD2-NH2 2.79Å; D235-R239 WeakPolarHBondContact O-CG 3.39Å; D235-R239 PolarHBondContact O-NE 3.38Å
236	C	89.9	Confident	84.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-78.4	-29.8	175.9	62.7	0	0	0	0	112.4	F216 F234 N238 R239 W241 Y242	F216-C236 HydrophobicContact CB-CB 4.22Å; F216-C236 HydrophobicContact CD2-CB 3.71Å; F216-C236 HydrophobicContact CE2-CB 4.47Å; F216-C236 HydrophobicContact CG-CB 4.29Å; F234-C236 HydrophobicContact CE1-CB 4.05Å; C236-N238 VanDerWaalsContact C-N 3.32Å; C236-N238 PolarHBondContact O-N 2.82Å; C236-R239 WeakPolarHBondContact O-CB 3.17Å; C236-R239 WeakPolarHBondContact O-CG 3.32Å; C236-R239 PolarHBondContact O-N 3.34Å; C236-W241 HydrophobicContact CB-CH2 4.12Å; C236-W241 HydrophobicContact CB-CZ2 4.06Å; C236-Y242 WeakPolarHBondContact O-CB 3.44Å
237	R	89.9	Confident	84.7	Confident	13 Å²	13	44 Å²	44	5%	0.049	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.9	-176.2	-61.1	173.1	-67.3	178.3	1.2	112.6	D235 R239 Y242 I243	D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 WeakPolarHBondContact OD1-CG 3.41Å; D235-R237 PolarHBondContact OD1-N 3.17Å; D235-R237 IonicContact OD1-NE 3.75Å; D235-R237 PolarHBondContact OD1-NE 3.33Å; D235-R237 VanDerWaalsContact OD1-NE 3.15Å; D235-R237 IonicContact OD2-CZ 3.33Å; D235-R237 IonicContact OD2-NE 2.77Å; D235-R237 PolarHBondContact OD2-NE 3.02Å; D235-R237 IonicContact OD2-NH2 3.1Å; D235-R237 PolarHBondContact OD2-NH2 2.79Å; R237-R239 PolarHBondContact O-N 3.09Å; R237-Y242 HydrophobicContact CB-CD1 4.41Å; R237-Y242 HydrophobicContact CB-CE1 4.32Å; R237-Y242 HydrophobicContact CG-CE1 4.3Å; R237-Y242 HydrophobicContact CG-CE2 4.49Å; R237-I243 WeakPolarHBondContact O-CG1 3.45Å
238	N	88.1	Confident	85.3	Confident	51 Å²	51	40.9 Å²	40.9	27%	0.273	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.4	178.8	-56.8	26.8	0	0	0	112.7	C236 M427	C236-N238 VanDerWaalsContact C-N 3.32Å; C236-N238 PolarHBondContact O-N 2.82Å; N238-M427 HydrophobicContact CB-CE 4.32Å; N238-M427 VanDerWaalsContact CG-CE 3.41Å; N238-M427 WeakPolarHBondContact OD1-CE 3.33Å
239	R	89.3	Confident	86.1	Confident	80 Å²	80	33.7 Å²	33.7	30%	0.302	19%	0.192	S	C	.	.	S	Bend	trans	-85.8	140.2	-178.8	-58.1	-61.4	175.8	-175.6	-4.9	110.7	D235 C236 R237 W241 Y242 I243	D235-R239 WeakPolarHBondContact O-CG 3.39Å; D235-R239 PolarHBondContact O-NE 3.38Å; C236-R239 WeakPolarHBondContact O-CB 3.17Å; C236-R239 WeakPolarHBondContact O-CG 3.32Å; C236-R239 PolarHBondContact O-N 3.34Å; R237-R239 PolarHBondContact O-N 3.09Å; R239-W241 VanDerWaalsContact C-N 3.28Å; R239-W241 HydrophobicContact CB-CD2 4.28Å; R239-W241 HydrophobicContact CB-CG 4.16Å; R239-W241 HydrophobicContact CB-CZ2 4.42Å; R239-W241 HydrophobicContact CG-CZ2 4.49Å; R239-W241 PolarHBondContact O-N 2.94Å; R239-Y242 WeakPolarHBondContact O-CA 3.34Å; R239-Y242 WeakPolarHBondContact O-CB 3.49Å; R239-Y242 PolarHBondContact O-N 3.02Å; R239-I243 PolarHBondContact O-N 3.43Å
240	K	89.4	Confident	87	Confident	51 Å²	51	26 Å²	26	22%	0.222	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-41.6	178.7	-71.8	-173.2	172.6	-165.3	0	112.8	Y242 I243 Q244 D283 E449	K240-Y242 VanDerWaalsContact C-N 3.25Å; K240-Y242 PolarHBondContact O-N 3.37Å; K240-I243 PolarHBondContact O-N 3.44Å; K240-Q244 VanDerWaalsContact O-CB 3.3Å; K240-Q244 WeakPolarHBondContact O-CB 3.45Å; K240-Q244 VanDerWaalsContact O-CG 3.25Å; K240-Q244 WeakPolarHBondContact O-CG 3.49Å; K240-Q244 PolarHBondContact O-N 2.91Å; K240-D283 VanDerWaalsContact NZ-CG 3.29Å; K240-D283 IonicContact NZ-OD1 3.78Å; K240-D283 PolarHBondContact NZ-OD1 3.37Å; K240-D283 VanDerWaalsContact NZ-OD1 3.07Å; K240-D283 IonicContact NZ-OD2 3.16Å; K240-D283 PolarHBondContact NZ-OD2 3.06Å; K240-E449 WeakPolarHBondContact CD-OE1 3.47Å; K240-E449 WeakPolarHBondContact CE-OE1 3.47Å; K240-E449 IonicContact NZ-OE1 3.18Å; K240-E449 PolarHBondContact NZ-OE1 3.39Å
241	W	91.8	Very high	88.2	Confident	8 Å²	8	23.8 Å²	23.8	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-34.7	175.3	63.3	-108	0	0	0	113.2	Y208 F216 C236 R239 A245 T448 T467 A469 V488	Y208-W241 AromaticContact CD2-CH2 3.76Å; Y208-W241 HydrophobicContact CD2-CH2 3.76Å; Y208-W241 AromaticContact CD2-CZ2 3.94Å; Y208-W241 HydrophobicContact CD2-CZ2 3.94Å; Y208-W241 HydrophobicContact CD2-CZ3 4.17Å; Y208-W241 AromaticContact CE2-CD2 3.88Å; Y208-W241 HydrophobicContact CE2-CD2 3.88Å; Y208-W241 AromaticContact CE2-CE2 3.6Å; Y208-W241 AromaticContact CE2-CE3 3.94Å; Y208-W241 HydrophobicContact CE2-CE3 3.94Å; Y208-W241 AromaticContact CE2-CH2 3.58Å; Y208-W241 HydrophobicContact CE2-CH2 3.58Å; Y208-W241 AromaticContact CE2-CZ2 3.48Å; Y208-W241 HydrophobicContact CE2-CZ2 3.48Å; Y208-W241 VanDerWaalsContact CE2-CZ2 3.48Å; Y208-W241 AromaticContact CE2-CZ3 3.79Å; Y208-W241 HydrophobicContact CE2-CZ3 3.79Å; F216-W241 HydrophobicContact CD2-CH2 4.4Å; F216-W241 HydrophobicContact CD2-CZ2 4.38Å; F216-W241 HydrophobicContact CE2-CH2 4.06Å; F216-W241 AromaticContact CE2-CZ2 3.83Å; F216-W241 HydrophobicContact CE2-CZ2 3.83Å; C236-W241 HydrophobicContact CB-CH2 4.12Å; C236-W241 HydrophobicContact CB-CZ2 4.06Å; R239-W241 VanDerWaalsContact C-N 3.28Å; R239-W241 HydrophobicContact CB-CD2 4.28Å; R239-W241 HydrophobicContact CB-CG 4.16Å; R239-W241 HydrophobicContact CB-CZ2 4.42Å; R239-W241 HydrophobicContact CG-CZ2 4.49Å; R239-W241 PolarHBondContact O-N 2.94Å; W241-A245 WeakPolarHBondContact O-CB 3.49Å; W241-A245 PolarHBondContact O-N 3.27Å; W241-T448 HydrophobicContact CB-CG2 3.55Å; W241-T467 HydrophobicContact CB-CG2 3.83Å; W241-T467 HydrophobicContact CG-CG2 4.17Å; W241-A469 HydrophobicContact CB-CB 4.21Å; W241-A469 WeakPolarHBondContact O-CB 3.43Å; W241-V488 HydrophobicContact CE3-CB 4.3Å; W241-V488 HydrophobicContact CE3-CG1 3.73Å; W241-V488 HydrophobicContact CZ3-CB 3.85Å; W241-V488 HydrophobicContact CZ3-CG1 3.73Å
242	Y	93.3	Very high	89.2	Confident	3 Å²	3	20.8 Å²	20.8	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-73.9	-50.6	177	-173.1	-79.5	0	0	0	110.5	A212 C236 R237 R239 K240 A245 A246 V488	A212-Y242 WeakPolarHBondContact CA-OH 3.46Å; C236-Y242 WeakPolarHBondContact O-CB 3.44Å; R237-Y242 HydrophobicContact CB-CD1 4.41Å; R237-Y242 HydrophobicContact CB-CE1 4.32Å; R237-Y242 HydrophobicContact CG-CE1 4.3Å; R237-Y242 HydrophobicContact CG-CE2 4.49Å; R239-Y242 WeakPolarHBondContact O-CA 3.34Å; R239-Y242 WeakPolarHBondContact O-CB 3.49Å; R239-Y242 PolarHBondContact O-N 3.02Å; K240-Y242 VanDerWaalsContact C-N 3.25Å; K240-Y242 PolarHBondContact O-N 3.37Å; Y242-A245 PolarHBondContact O-N 3.2Å; Y242-A246 HydrophobicContact CD1-CB 4.37Å; Y242-A246 HydrophobicContact CE1-CB 4.19Å; Y242-A246 WeakPolarHBondContact O-CB 3.44Å; Y242-A246 PolarHBondContact O-N 3.27Å; Y242-V488 HydrophobicContact CD1-CG2 4.49Å; Y242-V488 HydrophobicContact CD2-CB 3.74Å; Y242-V488 HydrophobicContact CD2-CG2 3.73Å; Y242-V488 HydrophobicContact CE2-CB 4.03Å; Y242-V488 HydrophobicContact CE2-CG2 3.8Å; Y242-V488 HydrophobicContact CG-CB 4.39Å; Y242-V488 HydrophobicContact CG-CG2 4.07Å
243	I	91.8	Very high	90.1	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-48.1	-175.7	-63.6	163.1	0	0	0	111.6	R237 R239 K240 A245 A246 T247 L430	R237-I243 WeakPolarHBondContact O-CG1 3.45Å; R239-I243 PolarHBondContact O-N 3.43Å; K240-I243 PolarHBondContact O-N 3.44Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 3.08Å; I243-A246 PolarHBondContact O-N 2.83Å; I243-T247 PolarHBondContact O-N 3.01Å; I243-T247 PolarHBondContact O-OG1 2.89Å; I243-L430 HydrophobicContact CG1-CD1 4.25Å; I243-L430 HydrophobicContact CG2-CD2 4.24Å
244	Q	90.6	Very high	91.2	Very high	38 Å²	38	15.3 Å²	15.3	18%	0.178	7%	0.072	C	C	.	.	H	α-helix	trans	-66.4	-32.7	-179.7	-65	169.6	-8.7	0	0	111.7	K240 V446 E449	K240-Q244 VanDerWaalsContact O-CB 3.3Å; K240-Q244 WeakPolarHBondContact O-CB 3.45Å; K240-Q244 VanDerWaalsContact O-CG 3.25Å; K240-Q244 WeakPolarHBondContact O-CG 3.49Å; K240-Q244 PolarHBondContact O-N 2.91Å; Q244-V446 HydrophobicContact CB-CG1 3.61Å; Q244-E449 PolarHBondContact NE2-OE2 2.86Å
245	A	91.4	Very high	91.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-76.2	-40.3	175.3	0	0	0	0	0	112.8	W241 Y242 I243 K437 V446 A469 V488	W241-A245 WeakPolarHBondContact O-CB 3.49Å; W241-A245 PolarHBondContact O-N 3.27Å; Y242-A245 PolarHBondContact O-N 3.2Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 3.08Å; A245-K437 PolarHBondContact O-NZ 3.03Å; A245-V446 HydrophobicContact CB-CB 4.45Å; A245-V446 HydrophobicContact CB-CG2 4.5Å; A245-A469 HydrophobicContact CB-CB 3.88Å; A245-V488 HydrophobicContact CB-CG1 3.61Å; A245-V488 HydrophobicContact CB-CG2 4.11Å
246	A	90.1	Very high	92.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-75.4	-31	-176.2	0	0	0	0	0	114.1	Y242 I243 S434 L485 V488	Y242-A246 HydrophobicContact CD1-CB 4.37Å; Y242-A246 HydrophobicContact CE1-CB 4.19Å; Y242-A246 WeakPolarHBondContact O-CB 3.44Å; Y242-A246 PolarHBondContact O-N 3.27Å; I243-A246 PolarHBondContact O-N 2.83Å; A246-S434 WeakPolarHBondContact O-CB 3.39Å; A246-L485 HydrophobicContact CB-CD2 3.72Å; A246-V488 HydrophobicContact CB-CG2 4.25Å
247	T	89.2	Confident	92.4	Very high	7 Å²	7	14.3 Å²	14.3	4%	0.043	7%	0.068	C	C	.	.	S	Bend	trans	-129.9	152	-173.6	62	0	0	0	0	112.6	I243 L430 L433	I243-T247 PolarHBondContact O-N 3.01Å; I243-T247 PolarHBondContact O-OG1 2.89Å; T247-L430 HydrophobicContact CG2-CB 4.1Å; T247-L430 HydrophobicContact CG2-CD2 3.74Å; T247-L433 HydrophobicContact CG2-CB 3.91Å
248	S	89.4	Confident	92.6	Very high	12 Å²	12	14 Å²	14	8%	0.084	7%	0.067	C	C	.	.			trans	-83.7	161.4	169.6	-61.1	0	0	0	0	111.4	C356 H1045	S248-C356 VanDerWaalsContact CB-SG 3.56Å; S248-H1045 PolarHBondContact OG-N 2.98Å
249	P	92	Very high	92.8	Very high	21 Å²	21	11.9 Å²	11.9	14%	0.136	6%	0.056	C	C	.	.			trans	-52.9	149.2	175.9	-28.3	36	0	0	0	113.8	D284 D285 C356 S357 P1041	P249-D284 HydrophobicContact CB-CB 4.29Å; P249-D284 HydrophobicContact CG-CB 4.13Å; P249-D285 WeakPolarHBondContact CA-OD1 3.19Å; P249-C356 HydrophobicContact CB-CB 4.4Å; P249-C356 VanDerWaalsContact O-CB 3.25Å; P249-C356 WeakPolarHBondContact O-CB 3.28Å; P249-C356 PolarHBondContact O-SG 2.85Å; P249-C356 VanDerWaalsContact O-SG 3.41Å; P249-S357 PolarHBondContact O-N 3.13Å; P249-S357 VanDerWaalsContact O-N 3.12Å; P249-P1041 HydrophobicContact CG-CG 3.84Å
250	K	92.4	Very high	92.9	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142	-172.2	50.5	-174.7	-179.2	-62.2	0	114.4	V252 D285 F286 S357 Y429 L433	K250-V252 HydrophobicContact CB-CG2 4.15Å; K250-V252 HydrophobicContact CD-CG2 4Å; K250-V252 HydrophobicContact CG-CG2 3.91Å; K250-D285 WeakPolarHBondContact CE-OD2 3.32Å; K250-D285 HydrophobicContact CG-CB 4.21Å; K250-D285 WeakPolarHBondContact CG-OD1 3.31Å; K250-D285 PolarHBondContact N-OD1 2.91Å; K250-D285 IonicContact NZ-OD1 2.77Å; K250-D285 IonicContact NZ-OD2 2.79Å; K250-D285 PolarHBondContact NZ-OD2 2.89Å; K250-D285 WeakPolarHBondContact O-CA 3.46Å; K250-D285 WeakPolarHBondContact O-CB 3.43Å; K250-F286 PolarHBondContact O-N 3.14Å; K250-S357 CarbonylContact C-O 3.52Å; K250-S357 VanDerWaalsContact CA-O 3.27Å; K250-S357 WeakPolarHBondContact CA-O 3.35Å; K250-Y429 HydrophobicContact CD-CE2 4.28Å; K250-Y429 WeakPolarHBondContact CE-OH 3.49Å; K250-L433 HydrophobicContact CD-CD1 3.71Å
251	D	94.5	Very high	92.9	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	167.1	-60.3	-14.7	0	0	0	108.5	F286 L307 L344 S354 S357 Q358 A359	D251-F286 CarbonylContact C-O 3.56Å; D251-F286 WeakPolarHBondContact CA-O 3.4Å; D251-L307 HydrophobicContact CB-CD1 4Å; D251-L344 HydrophobicContact CB-CD2 3.88Å; D251-S354 VanDerWaalsContact CG-OG 3.23Å; D251-S354 VanDerWaalsContact OD1-CB 3.23Å; D251-S354 WeakPolarHBondContact OD1-CB 3.46Å; D251-S354 PolarHBondContact OD1-N 2.96Å; D251-S354 PolarHBondContact OD1-OG 3Å; D251-S357 PolarHBondContact N-O 3.47Å; D251-Q358 HydrophobicContact CB-CG 4.43Å; D251-Q358 WeakPolarHBondContact O-CA 3.27Å; D251-A359 PolarHBondContact O-N 3.03Å
252	V	95.5	Very high	92.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.4	-170.7	-174.4	0	0	0	0	111.4	K250 I254 L281 F286 F287 N288 A359 M361	K250-V252 HydrophobicContact CB-CG2 4.15Å; K250-V252 HydrophobicContact CD-CG2 4Å; K250-V252 HydrophobicContact CG-CG2 3.91Å; V252-I254 HydrophobicContact CG1-CG1 3.96Å; V252-L281 HydrophobicContact CG2-CD2 4.17Å; V252-F286 PolarHBondContact N-O 2.84Å; V252-F287 WeakPolarHBondContact O-CA 3.01Å; V252-N288 PolarHBondContact O-N 3.49Å; V252-A359 WeakPolarHBondContact CA-O 3.16Å; V252-M361 HydrophobicContact CG1-CE 3.91Å; V252-M361 HydrophobicContact CG1-CG 3.87Å; V252-M361 HydrophobicContact CG1-SD 3.8Å; V252-M361 HydrophobicContact CG2-CE 4.43Å
253	V	96.8	Very high	92.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	165.8	-177.6	0	0	0	0	108.9	L255 I290 L307 A340 L343 L344 A359 I360 M361	V253-L255 HydrophobicContact CG1-CD2 3.96Å; V253-L255 HydrophobicContact CG1-CG 4.48Å; V253-I290 HydrophobicContact CG1-CD1 3.9Å; V253-I290 HydrophobicContact CG1-CG1 4.37Å; V253-L307 HydrophobicContact CG2-CD2 4.12Å; V253-A340 HydrophobicContact CB-CB 4.2Å; V253-A340 HydrophobicContact CG1-CB 3.81Å; V253-L343 HydrophobicContact CG2-CD2 4.07Å; V253-L344 HydrophobicContact CG2-CD1 4.15Å; V253-L344 HydrophobicContact CG2-CD2 3.99Å; V253-L344 HydrophobicContact CG2-CG 3.76Å; V253-A359 PolarHBondContact N-O 3.28Å; V253-I360 WeakPolarHBondContact O-CA 3.28Å; V253-M361 PolarHBondContact O-N 2.87Å
254	I	97.4	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.6	176.8	-52.4	178.9	0	0	0	108.3	V252 V256 V274 I277 L278 N288 I289 I290 M361	V252-I254 HydrophobicContact CG1-CG1 3.96Å; I254-V256 HydrophobicContact CG2-CG2 4Å; I254-V274 HydrophobicContact CD1-CG1 4.36Å; I254-V274 HydrophobicContact CG2-CG1 4.3Å; I254-V274 HydrophobicContact CG2-CG2 4.03Å; I254-I277 HydrophobicContact CD1-CG2 3.66Å; I254-I277 HydrophobicContact CG1-CG2 4.46Å; I254-L278 HydrophobicContact CD1-CD2 4.15Å; I254-N288 PolarHBondContact N-O 2.83Å; I254-I289 HydrophobicContact CB-CG1 4.32Å; I254-I289 HydrophobicContact CB-CG2 4.21Å; I254-I289 HydrophobicContact CD1-CG1 4.33Å; I254-I289 HydrophobicContact CG2-CG2 4.29Å; I254-I289 WeakPolarHBondContact O-CA 3.18Å; I254-I290 PolarHBondContact O-N 3.39Å; I254-M361 CarbonylContact C-O 3.53Å; I254-M361 WeakPolarHBondContact CA-O 3.41Å; I254-M361 HydrophobicContact CG1-CB 4.48Å
255	L	96.8	Very high	92.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.1	174.2	-61.1	-176.2	0	0	0	109.2	V253 I290 Y292 L333 A336 L337 A340 I360 M361 L362 V363	V253-L255 HydrophobicContact CG1-CD2 3.96Å; V253-L255 HydrophobicContact CG1-CG 4.48Å; L255-I290 WeakPolarHBondContact CA-O 3.24Å; L255-I290 HydrophobicContact CD2-CB 3.88Å; L255-I290 HydrophobicContact CD2-CD1 4.23Å; L255-I290 HydrophobicContact CD2-CG1 4.48Å; L255-I290 HydrophobicContact CD2-CG2 4.44Å; L255-Y292 HydrophobicContact CB-CD1 4.31Å; L255-Y292 HydrophobicContact CB-CE1 4.16Å; L255-L333 HydrophobicContact CD1-CD1 4.43Å; L255-A336 HydrophobicContact CD1-CB 4.11Å; L255-A336 HydrophobicContact CD2-CB 4.22Å; L255-L337 HydrophobicContact CD1-CD2 4.01Å; L255-L337 HydrophobicContact CD1-CG 4.47Å; L255-A340 HydrophobicContact CD1-CB 4.29Å; L255-A340 HydrophobicContact CD2-CB 4.26Å; L255-I360 HydrophobicContact CD1-CG2 3.84Å; L255-I360 HydrophobicContact CG-CG2 4.1Å; L255-M361 PolarHBondContact N-O 3.4Å; L255-L362 HydrophobicContact CB-CD1 3.93Å; L255-V363 PolarHBondContact O-N 3.25Å
256	V	95.9	Very high	92.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119	-177.7	-173.4	0	0	0	0	109.9	I254 V258 V274 I289 I290 A291 Y292	I254-V256 HydrophobicContact CG2-CG2 4Å; V256-V258 HydrophobicContact CG1-CG1 4.34Å; V256-V258 PolarHBondContact O-N 2.85Å; V256-V274 HydrophobicContact CG2-CG2 3.71Å; V256-I289 HydrophobicContact CG2-CG2 3.64Å; V256-I290 PolarHBondContact N-O 2.68Å; V256-A291 WeakPolarHBondContact O-CA 3.39Å; V256-Y292 WeakPolarHBondContact O-CD1 3.48Å; V256-Y292 PolarHBondContact O-N 3.22Å
257	D	94.6	Very high	92.7	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.2	173.5	-155.4	-49.9	0	0	0	110.2	S259 M262 Y292 V363 T364	D257-S259 WeakPolarHBondContact OD1-CB 3.4Å; D257-S259 PolarHBondContact OD1-N 3.28Å; D257-S259 PolarHBondContact OD1-OG 2.85Å; D257-M262 HydrophobicContact CB-CE 4.34Å; D257-M262 HydrophobicContact CB-CG 3.97Å; D257-M262 HydrophobicContact CB-SD 4.42Å; D257-Y292 HydrophobicContact CB-CE1 4.17Å; D257-Y292 HydrophobicContact CB-CE2 4.24Å; D257-Y292 WeakPolarHBondContact CB-OH 3.48Å; D257-Y292 WeakPolarHBondContact OD2-CE2 3.38Å; D257-Y292 PolarHBondContact OD2-OH 3.47Å; D257-V363 WeakPolarHBondContact CB-O 3.45Å; D257-V363 PolarHBondContact N-O 3.1Å; D257-T364 PolarHBondContact OD2-OG1 2.92Å
258	V	94.7	Very high	92.9	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	17%	0.173	C	C	.	.			trans	-119.6	25.6	173.1	-62.1	0	0	0	0	111.6	V256 L267 A291 Y292 N293 L325 A327 Q328	V256-V258 HydrophobicContact CG1-CG1 4.34Å; V256-V258 PolarHBondContact O-N 2.85Å; V258-L267 HydrophobicContact CG1-CD1 4.34Å; V258-A291 HydrophobicContact CG1-CB 3.93Å; V258-A291 HydrophobicContact CG2-CB 3.95Å; V258-Y292 WeakPolarHBondContact CG2-O 3.41Å; V258-Y292 PolarHBondContact N-O 3.12Å; V258-N293 HydrophobicContact CG2-CB 4.23Å; V258-L325 HydrophobicContact CG1-CD1 4.5Å; V258-A327 CarbonylContact O-C 3.51Å; V258-A327 VanDerWaalsContact O-CA 3.27Å; V258-A327 WeakPolarHBondContact O-CA 3.29Å; V258-Q328 PolarHBondContact O-N 2.77Å
259	S	93.1	Very high	93	Very high	7 Å²	7	29 Å²	29	5%	0.049	17%	0.171	C	C	.	.	S	Bend	trans	-68.2	166.8	172.5	71.7	0	0	0	0	112.7	D257 S261 M262 A327 G331	D257-S259 WeakPolarHBondContact OD1-CB 3.4Å; D257-S259 PolarHBondContact OD1-N 3.28Å; D257-S259 PolarHBondContact OD1-OG 2.85Å; S259-S261 PolarHBondContact O-N 2.03Å; S259-S261 VanDerWaalsContact O-N 3.14Å; S259-S261 PolarHBondContact OG-OG 2.98Å; S259-S261 VanDerWaalsContact OG-OG 3.13Å; S259-M262 WeakPolarHBondContact O-CB 3.33Å; S259-M262 PolarHBondContact O-N 2.56Å; S259-M262 VanDerWaalsContact O-N 3.11Å; S259-A327 WeakPolarHBondContact O-CB 3.45Å; S259-G331 VanDerWaalsContact CB-N 3.29Å
260	G	90.4	Very high	93.1	Very high	37 Å²	37	28 Å²	28	38%	0.381	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-60.9	-22.4	-175.2	0	0	0	0	0	115.5	M262 K263 G329	G260-M262 VanDerWaalsContact C-N 3.33Å; G260-K263 WeakPolarHBondContact O-CB 3.22Å; G260-K263 PolarHBondContact O-N 3.17Å; G260-G329 PolarHBondContact N-O 3.4Å
261	S	88.6	Confident	93.2	Very high	60 Å²	60	31 Å²	31	42%	0.42	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-70.6	-29	176.7	55.4	0	0	0	0	112.7	S259 K263 D365	S259-S261 PolarHBondContact O-N 2.03Å; S259-S261 VanDerWaalsContact O-N 3.14Å; S259-S261 PolarHBondContact OG-OG 2.98Å; S259-S261 VanDerWaalsContact OG-OG 3.13Å; S261-K263 PolarHBondContact O-N 3.48Å; S261-D365 WeakPolarHBondContact CB-OD2 3.46Å; S261-D365 PolarHBondContact OG-OD1 3.27Å; S261-D365 VanDerWaalsContact OG-OD1 3.13Å; S261-D365 PolarHBondContact OG-OD2 2.82Å
262	M	91.3	Very high	93.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-72.2	-6.5	178.5	-65.9	-68.4	-78.8	0	0	113.5	D257 S259 G260 G264 R266 L267 A270 D365 I392	D257-M262 HydrophobicContact CB-CE 4.34Å; D257-M262 HydrophobicContact CB-CG 3.97Å; D257-M262 HydrophobicContact CB-SD 4.42Å; S259-M262 WeakPolarHBondContact O-CB 3.33Å; S259-M262 PolarHBondContact O-N 2.56Å; S259-M262 VanDerWaalsContact O-N 3.11Å; G260-M262 VanDerWaalsContact C-N 3.33Å; M262-G264 PolarHBondContact O-N 3.14Å; M262-R266 HydrophobicContact CE-CB 4.47Å; M262-R266 WeakPolarHBondContact O-CB 3.41Å; M262-R266 HydrophobicContact SD-CB 3.99Å; M262-L267 WeakPolarHBondContact O-CB 3.37Å; M262-L267 PolarHBondContact O-N 2.99Å; M262-A270 HydrophobicContact CE-CB 3.65Å; M262-D365 HydrophobicContact SD-CB 3.6Å; M262-D365 VanDerWaalsContact SD-CG 3.51Å; M262-I392 HydrophobicContact CE-CB 4.4Å; M262-I392 HydrophobicContact CE-CG1 4.41Å
263	K	90.8	Very high	93	Very high	164 Å²	164	34.9 Å²	34.9	71%	0.713	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	131.8	-174.3	-171.4	173.7	-176.7	172.5	0	113.3	G260 S261 A327	G260-K263 WeakPolarHBondContact O-CB 3.22Å; G260-K263 PolarHBondContact O-N 3.17Å; S261-K263 PolarHBondContact O-N 3.48Å; K263-A327 HydrophobicContact CB-CB 3.95Å
264	G	90.2	Very high	93	Very high	44 Å²	44	34.9 Å²	34.9	45%	0.454	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-132.9	179.4	0	0	0	0	0	112	M262 R266 L267 T268	M262-G264 PolarHBondContact O-N 3.14Å; G264-R266 VanDerWaalsContact C-N 3.26Å; G264-R266 PolarHBondContact O-N 3.1Å; G264-L267 PolarHBondContact O-N 3.06Å; G264-T268 PolarHBondContact O-N 3.16Å; G264-T268 PolarHBondContact O-OG1 2.86Å
265	L	90	Very high	92.8	Very high	116 Å²	116	36 Å²	36	61%	0.607	20%	0.202	S	C	*	.	H	α-helix	trans	-59.8	-32.2	-171.5	-177.5	63.3	0	0	0	113.6	T268 I269	L265-T268 PolarHBondContact O-N 3.18Å; L265-I269 HydrophobicContact CD1-CD1 4.31Å; L265-I269 HydrophobicContact CD1-CG1 4.27Å; L265-I269 HydrophobicContact CD2-CD1 4.41Å; L265-I269 HydrophobicContact CG-CD1 3.89Å; L265-I269 HydrophobicContact CG-CG1 4.31Å; L265-I269 WeakPolarHBondContact O-CG1 3.26Å; L265-I269 PolarHBondContact O-N 3Å
266	R	91	Very high	92.6	Very high	55 Å²	55	36.2 Å²	36.2	21%	0.208	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-48.8	178.7	-68.7	-177.9	-173.8	-172.8	-1	111.1	M262 G264 T268 I269 A270 D365 I392 E395	M262-R266 HydrophobicContact CE-CB 4.47Å; M262-R266 WeakPolarHBondContact O-CB 3.41Å; M262-R266 HydrophobicContact SD-CB 3.99Å; G264-R266 VanDerWaalsContact C-N 3.26Å; G264-R266 PolarHBondContact O-N 3.1Å; R266-T268 VanDerWaalsContact C-N 3.34Å; R266-T268 PolarHBondContact O-N 3.11Å; R266-I269 PolarHBondContact O-N 3.4Å; R266-A270 WeakPolarHBondContact O-CB 3.24Å; R266-A270 PolarHBondContact O-N 3.37Å; R266-D365 WeakPolarHBondContact CD-OD2 3.44Å; R266-D365 IonicContact CZ-OD2 2.67Å; R266-D365 IonicContact NE-OD2 3.77Å; R266-D365 IonicContact NH1-OD2 3.97Å; R266-D365 PolarHBondContact NH1-OD2 3.49Å; R266-I392 HydrophobicContact CB-CG2 4.13Å; R266-I392 HydrophobicContact CG-CG2 4.44Å; R266-I392 WeakPolarHBondContact O-CG2 3.3Å; R266-E395 IonicContact CZ-OE2 2.74Å; R266-E395 IonicContact NH1-OE2 2.87Å; R266-E395 IonicContact NH2-OE1 3.68Å; R266-E395 PolarHBondContact NH2-OE1 3.23Å; R266-E395 IonicContact NH2-OE2 3.9Å; R266-E395 PolarHBondContact NH2-OE2 3.02Å
267	L	92.3	Very high	92.5	Very high	10 Å²	10	36 Å²	36	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-37.1	175.4	-175.5	62.3	0	0	0	112.1	V258 M262 G264 A270 R271 A327	V258-L267 HydrophobicContact CG1-CD1 4.34Å; M262-L267 WeakPolarHBondContact O-CB 3.37Å; M262-L267 PolarHBondContact O-N 2.99Å; G264-L267 PolarHBondContact O-N 3.06Å; L267-A270 PolarHBondContact O-N 2.94Å; L267-R271 WeakPolarHBondContact O-CG 3.42Å; L267-R271 PolarHBondContact O-N 2.81Å; L267-A327 HydrophobicContact CD2-CB 4.24Å
268	T	92.5	Very high	92.4	Very high	72 Å²	72	35.7 Å²	35.7	44%	0.442	20%	0.2	S	C	.	.	H	α-helix	trans	-62.2	-44	173.9	-53.1	0	0	0	0	112	G264 L265 R266 Q272	G264-T268 PolarHBondContact O-N 3.16Å; G264-T268 PolarHBondContact O-OG1 2.86Å; L265-T268 PolarHBondContact O-N 3.18Å; R266-T268 VanDerWaalsContact C-N 3.34Å; R266-T268 PolarHBondContact O-N 3.11Å; T268-Q272 PolarHBondContact O-N 3.17Å; T268-Q272 VanDerWaalsContact O-N 3.14Å
269	I	93	Very high	92.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-44.7	174	-64.1	165.4	0	0	0	110	L265 R266 R271 Q272 T273 I392 I416 L419 V422	L265-I269 HydrophobicContact CD1-CD1 4.31Å; L265-I269 HydrophobicContact CD1-CG1 4.27Å; L265-I269 HydrophobicContact CD2-CD1 4.41Å; L265-I269 HydrophobicContact CG-CD1 3.89Å; L265-I269 HydrophobicContact CG-CG1 4.31Å; L265-I269 WeakPolarHBondContact O-CG1 3.26Å; L265-I269 PolarHBondContact O-N 3Å; R266-I269 PolarHBondContact O-N 3.4Å; I269-R271 PolarHBondContact O-N 2.88Å; I269-Q272 CarbonylContact O-C 3.59Å; I269-Q272 PolarHBondContact O-N 3.14Å; I269-Q272 VanDerWaalsContact O-N 3.11Å; I269-T273 PolarHBondContact O-N 2.9Å; I269-T273 PolarHBondContact O-OG1 2.95Å; I269-T273 VanDerWaalsContact O-OG1 3.06Å; I269-I392 HydrophobicContact CB-CG2 3.97Å; I269-I392 HydrophobicContact CG2-CD1 4.2Å; I269-I392 HydrophobicContact CG2-CG2 3.96Å; I269-I416 HydrophobicContact CG2-CG2 3.6Å; I269-L419 HydrophobicContact CB-CD2 4.32Å; I269-L419 HydrophobicContact CG1-CD2 3.81Å; I269-L419 HydrophobicContact CG1-CG 4.06Å; I269-V422 HydrophobicContact CG2-CG2 4.2Å
270	A	93.6	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-45.9	178.3	0	0	0	0	0	112.6	M262 R266 L267 Q272 T273 V274 V363 I392	M262-A270 HydrophobicContact CE-CB 3.65Å; R266-A270 WeakPolarHBondContact O-CB 3.24Å; R266-A270 PolarHBondContact O-N 3.37Å; L267-A270 PolarHBondContact O-N 2.94Å; A270-Q272 VanDerWaalsContact C-N 3.33Å; A270-Q272 PolarHBondContact O-N 2.84Å; A270-T273 PolarHBondContact O-N 2.91Å; A270-V274 VanDerWaalsContact O-CG2 3.29Å; A270-V274 WeakPolarHBondContact O-CG2 3.42Å; A270-V274 PolarHBondContact O-N 3.06Å; A270-V363 HydrophobicContact CB-CG1 3.68Å; A270-I392 HydrophobicContact CB-CG1 4.44Å
271	R	93.9	Very high	92.2	Very high	65 Å²	65	37.5 Å²	37.5	25%	0.245	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-43.7	173.4	-69.6	179.3	-162.6	-178.8	-0.9	111.9	L267 I269 V274 S275 L322 D323 L325	L267-R271 WeakPolarHBondContact O-CG 3.42Å; L267-R271 PolarHBondContact O-N 2.81Å; I269-R271 PolarHBondContact O-N 2.88Å; R271-V274 PolarHBondContact O-N 3.07Å; R271-S275 WeakPolarHBondContact O-CB 3.13Å; R271-S275 PolarHBondContact O-N 3.15Å; R271-L322 WeakPolarHBondContact CD-O 3.45Å; R271-L322 PolarHBondContact NE-O 3.02Å; R271-D323 VanDerWaalsContact CZ-O 3.26Å; R271-D323 PolarHBondContact NH1-O 3.41Å; R271-D323 VanDerWaalsContact NH1-O 3.13Å; R271-D323 IonicContact NH1-OD1 3.55Å; R271-D323 PolarHBondContact NH1-OD1 2.74Å; R271-D323 VanDerWaalsContact NH1-OD1 3.1Å; R271-D323 PolarHBondContact NH2-O 2.8Å; R271-D323 VanDerWaalsContact NH2-O 3.08Å; R271-L325 PolarHBondContact NH2-O 2.98Å
272	Q	92.7	Very high	92.2	Very high	82 Å²	82	35 Å²	35	38%	0.383	18%	0.183	S	C	.	.	H	α-helix	trans	-66.3	-40.3	177.8	-172.5	61.3	24.8	0	0	112	T268 I269 A270 S275 S276 L419 V422	T268-Q272 PolarHBondContact O-N 3.17Å; T268-Q272 VanDerWaalsContact O-N 3.14Å; I269-Q272 CarbonylContact O-C 3.59Å; I269-Q272 PolarHBondContact O-N 3.14Å; I269-Q272 VanDerWaalsContact O-N 3.11Å; A270-Q272 VanDerWaalsContact C-N 3.33Å; A270-Q272 PolarHBondContact O-N 2.84Å; Q272-S275 PolarHBondContact O-N 3.28Å; Q272-S276 WeakPolarHBondContact O-CB 3.34Å; Q272-S276 PolarHBondContact O-N 2.7Å; Q272-L419 HydrophobicContact CB-CD2 3.75Å; Q272-L419 HydrophobicContact CG-CD2 3.99Å; Q272-V422 HydrophobicContact CG-CG1 4.35Å; Q272-V422 HydrophobicContact CG-CG2 4.33Å
273	T	94.1	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-47.6	173.3	-60	0	0	0	0	110.9	I269 A270 S276 I277 V363 Y390 I416 V426	I269-T273 PolarHBondContact O-N 2.9Å; I269-T273 PolarHBondContact O-OG1 2.95Å; I269-T273 VanDerWaalsContact O-OG1 3.06Å; A270-T273 PolarHBondContact O-N 2.91Å; T273-S276 PolarHBondContact O-N 3Å; T273-I277 HydrophobicContact CG2-CD1 4.03Å; T273-I277 VanDerWaalsContact O-CG1 3.31Å; T273-I277 WeakPolarHBondContact O-CG1 3.37Å; T273-I277 PolarHBondContact O-N 3.06Å; T273-V363 HydrophobicContact CG2-CG2 4.32Å; T273-Y390 HydrophobicContact CG2-CD1 4.3Å; T273-Y390 HydrophobicContact CG2-CG 4.27Å; T273-I416 HydrophobicContact CG2-CD1 3.65Å; T273-I416 WeakPolarHBondContact OG1-CD1 3.49Å; T273-V426 HydrophobicContact CG2-CG2 4.01Å
274	V	95.4	Very high	91.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-44.3	177.1	176.8	0	0	0	0	111.1	I254 V256 A270 R271 S276 I277 L278 I289 L322 V363	I254-V274 HydrophobicContact CD1-CG1 4.36Å; I254-V274 HydrophobicContact CG2-CG1 4.3Å; I254-V274 HydrophobicContact CG2-CG2 4.03Å; V256-V274 HydrophobicContact CG2-CG2 3.71Å; A270-V274 VanDerWaalsContact O-CG2 3.29Å; A270-V274 WeakPolarHBondContact O-CG2 3.42Å; A270-V274 PolarHBondContact O-N 3.06Å; R271-V274 PolarHBondContact O-N 3.07Å; V274-S276 VanDerWaalsContact C-N 3.31Å; V274-S276 PolarHBondContact O-N 3.23Å; V274-I277 WeakPolarHBondContact O-CB 3.23Å; V274-I277 PolarHBondContact O-N 3.3Å; V274-I277 VanDerWaalsContact O-N 3.13Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.1Å; V274-I289 HydrophobicContact CG1-CD1 3.76Å; V274-L322 HydrophobicContact CB-CD1 4.19Å; V274-L322 HydrophobicContact CG1-CD1 3.56Å; V274-L322 HydrophobicContact CG1-CD2 4Å; V274-L322 HydrophobicContact CG1-CG 4.45Å; V274-V363 HydrophobicContact CG2-CG2 4.17Å
275	S	93.5	Very high	92	Very high	24 Å²	24	26.9 Å²	26.9	17%	0.168	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-40.3	176.3	-164.9	0	0	0	0	112.2	R271 Q272 I277 L278 D279 R319	R271-S275 WeakPolarHBondContact O-CB 3.13Å; R271-S275 PolarHBondContact O-N 3.15Å; Q272-S275 PolarHBondContact O-N 3.28Å; S275-I277 VanDerWaalsContact C-N 3.34Å; S275-I277 PolarHBondContact O-N 3.38Å; S275-L278 WeakPolarHBondContact O-CB 3.42Å; S275-L278 PolarHBondContact O-N 3.47Å; S275-D279 PolarHBondContact O-N 3.26Å; S275-D279 VanDerWaalsContact O-N 3.09Å; S275-R319 PolarHBondContact OG-NE 2.86Å
276	S	92.1	Very high	92.2	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-69.8	-26.8	175.4	-168.9	0	0	0	0	113.4	Q272 T273 V274	Q272-S276 WeakPolarHBondContact O-CB 3.34Å; Q272-S276 PolarHBondContact O-N 2.7Å; T273-S276 PolarHBondContact O-N 3Å; V274-S276 VanDerWaalsContact C-N 3.31Å; V274-S276 PolarHBondContact O-N 3.23Å
277	I	94.5	Very high	92.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71	-41.3	169	-73	163.7	0	0	0	109.9	I254 T273 V274 S275 D279 T280 M361 V363 Y390 V426	I254-I277 HydrophobicContact CD1-CG2 3.66Å; I254-I277 HydrophobicContact CG1-CG2 4.46Å; T273-I277 HydrophobicContact CG2-CD1 4.03Å; T273-I277 VanDerWaalsContact O-CG1 3.31Å; T273-I277 WeakPolarHBondContact O-CG1 3.37Å; T273-I277 PolarHBondContact O-N 3.06Å; V274-I277 WeakPolarHBondContact O-CB 3.23Å; V274-I277 PolarHBondContact O-N 3.3Å; V274-I277 VanDerWaalsContact O-N 3.13Å; S275-I277 VanDerWaalsContact C-N 3.34Å; S275-I277 PolarHBondContact O-N 3.38Å; I277-D279 VanDerWaalsContact C-N 3.27Å; I277-D279 PolarHBondContact O-N 2.83Å; I277-T280 PolarHBondContact O-N 2.88Å; I277-T280 PolarHBondContact O-OG1 3.39Å; I277-M361 HydrophobicContact CB-SD 4.45Å; I277-M361 HydrophobicContact CD1-SD 3.98Å; I277-M361 HydrophobicContact CG1-SD 4.16Å; I277-M361 HydrophobicContact CG2-CE 4.39Å; I277-M361 HydrophobicContact CG2-SD 3.43Å; I277-M361 WeakPolarHBondContact CG2-SD 3.39Å; I277-V363 HydrophobicContact CD1-CG2 4.48Å; I277-Y390 HydrophobicContact CD1-CD2 4.28Å; I277-Y390 HydrophobicContact CD1-CE2 3.88Å; I277-V426 HydrophobicContact CG1-CG1 3.72Å; I277-V426 HydrophobicContact CG1-CG2 4.12Å
278	L	93.4	Very high	92.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-35.5	176.7	-64.5	178.9	0	0	0	111.9	I254 V274 S275 T280 L281 F287 I289 K315 F318 R319 L322	I254-L278 HydrophobicContact CD1-CD2 4.15Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.1Å; S275-L278 WeakPolarHBondContact O-CB 3.42Å; S275-L278 PolarHBondContact O-N 3.47Å; L278-T280 PolarHBondContact O-N 3.34Å; L278-L281 HydrophobicContact CD2-CD1 4.01Å; L278-L281 PolarHBondContact O-N 3.13Å; L278-F287 HydrophobicContact CD2-CD2 3.55Å; L278-F287 HydrophobicContact CD2-CE2 3.4Å; L278-F287 HydrophobicContact CD2-CG 4.22Å; L278-F287 HydrophobicContact CD2-CZ 3.95Å; L278-I289 HydrophobicContact CD1-CD1 4.32Å; L278-I289 HydrophobicContact CD2-CD1 4.42Å; L278-K315 HydrophobicContact CB-CD 4.15Å; L278-K315 HydrophobicContact CB-CG 4.22Å; L278-K315 HydrophobicContact CD2-CG 4.5Å; L278-K315 WeakPolarHBondContact O-CD 3.42Å; L278-F318 HydrophobicContact CD1-CB 4.4Å; L278-R319 HydrophobicContact CD1-CG 4.36Å; L278-L322 HydrophobicContact CD1-CD1 4.31Å
279	D	90.1	Very high	92.6	Very high	84 Å²	84	14.9 Å²	14.9	45%	0.449	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.8	173.3	-76.1	-44.1	0	0	0	113.6	S275 I277 R319	S275-D279 PolarHBondContact O-N 3.26Å; S275-D279 VanDerWaalsContact O-N 3.09Å; I277-D279 VanDerWaalsContact C-N 3.27Å; I277-D279 PolarHBondContact O-N 2.83Å; D279-R319 IonicContact OD1-CZ 3.15Å; D279-R319 IonicContact OD1-NH2 2.71Å; D279-R319 PolarHBondContact OD1-NH2 3.24Å; D279-R319 IonicContact OD2-NH2 3.35Å; D279-R319 PolarHBondContact OD2-NH2 2.83Å
280	T	91.4	Very high	92.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.4	177.8	61.1	0	0	0	0	114.4	I277 L278 V426 M427 Y429	I277-T280 PolarHBondContact O-N 2.88Å; I277-T280 PolarHBondContact O-OG1 3.39Å; L278-T280 PolarHBondContact O-N 3.34Å; T280-V426 HydrophobicContact CG2-CG1 4.35Å; T280-M427 HydrophobicContact CG2-CE 3.21Å; T280-M427 HydrophobicContact CG2-SD 3.53Å; T280-M427 VanDerWaalsContact CG2-SD 3.53Å; T280-Y429 VanDerWaalsContact CB-OH 3.23Å; T280-Y429 WeakPolarHBondContact CB-OH 3.44Å; T280-Y429 PolarHBondContact O-OH 2.95Å; T280-Y429 WeakPolarHBondContact OG1-CE1 2.86Å; T280-Y429 PolarHBondContact OG1-OH 3.2Å
281	L	91.8	Very high	92.8	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	8%	0.075	C	C	.	.			trans	-91.7	124	173.5	-55.6	-173.8	0	0	0	110.3	V252 L278 D285 F287 A310 K315	V252-L281 HydrophobicContact CG2-CD2 4.17Å; L278-L281 HydrophobicContact CD2-CD1 4.01Å; L278-L281 PolarHBondContact O-N 3.13Å; L281-D285 WeakPolarHBondContact CA-OD2 3.48Å; L281-D285 HydrophobicContact CB-CB 4.31Å; L281-F287 HydrophobicContact CD1-CB 3.72Å; L281-F287 HydrophobicContact CD1-CD1 4.13Å; L281-F287 HydrophobicContact CD1-CG 3.86Å; L281-A310 HydrophobicContact CB-CB 3.53Å; L281-A310 HydrophobicContact CD1-CB 4.03Å; L281-A310 HydrophobicContact CG-CB 4.44Å; L281-K315 PolarHBondContact O-NZ 2.9Å
282	G	88.5	Confident	92.8	Very high	6 Å²	6	11.7 Å²	11.7	6%	0.062	6%	0.064	C	C	.	.			trans	-86.4	167.3	173	0	0	0	0	0	111.6	D284 D285	G282-D284 PolarHBondContact O-N 2.87Å; G282-D284 VanDerWaalsContact O-N 3.11Å; G282-D285 PolarHBondContact N-OD2 3.25Å; G282-D285 VanDerWaalsContact O-CB 3.27Å; G282-D285 WeakPolarHBondContact O-CB 3.49Å; G282-D285 PolarHBondContact O-N 2.9Å
283	D	87.6	Confident	92.8	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.021	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.8	-170.8	-39.7	-48.3	0	0	0	113.2	K240 Q309 Y521	K240-D283 VanDerWaalsContact NZ-CG 3.29Å; K240-D283 IonicContact NZ-OD1 3.78Å; K240-D283 PolarHBondContact NZ-OD1 3.37Å; K240-D283 VanDerWaalsContact NZ-OD1 3.07Å; K240-D283 IonicContact NZ-OD2 3.16Å; K240-D283 PolarHBondContact NZ-OD2 3.06Å; D283-Q309 WeakPolarHBondContact O-CG 3.49Å; D283-Q309 PolarHBondContact O-NE2 2.9Å; D283-Q309 VanDerWaalsContact O-NE2 3.1Å; D283-Y521 HydrophobicContact CB-CE2 3.93Å
284	D	89.1	Confident	92.6	Very high	28 Å²	28	13.3 Å²	13.3	15%	0.15	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-9	170.2	-77.7	-40.2	0	0	0	114.2	P249 G282 N519 R1038 P1041	P249-D284 HydrophobicContact CB-CB 4.29Å; P249-D284 HydrophobicContact CG-CB 4.13Å; G282-D284 PolarHBondContact O-N 2.87Å; G282-D284 VanDerWaalsContact O-N 3.11Å; D284-N519 PolarHBondContact OD1-ND2 2.93Å; D284-N519 PolarHBondContact OD1-OD1 2.89Å; D284-R1038 IonicContact OD1-NH1 2.77Å; D284-R1038 PolarHBondContact OD1-NH1 2.92Å; D284-P1041 WeakPolarHBondContact OD2-CG 3.4Å
285	D	92.1	Very high	92.3	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.099	C	C	.	.			trans	-88.1	155.2	-177.8	-60.8	-35.9	0	0	0	112.3	P249 K250 L281 G282 A310	P249-D285 WeakPolarHBondContact CA-OD1 3.19Å; K250-D285 WeakPolarHBondContact CE-OD2 3.32Å; K250-D285 HydrophobicContact CG-CB 4.21Å; K250-D285 WeakPolarHBondContact CG-OD1 3.31Å; K250-D285 PolarHBondContact N-OD1 2.91Å; K250-D285 IonicContact NZ-OD1 2.77Å; K250-D285 IonicContact NZ-OD2 2.79Å; K250-D285 PolarHBondContact NZ-OD2 2.89Å; K250-D285 WeakPolarHBondContact O-CA 3.46Å; K250-D285 WeakPolarHBondContact O-CB 3.43Å; L281-D285 WeakPolarHBondContact CA-OD2 3.48Å; L281-D285 HydrophobicContact CB-CB 4.31Å; G282-D285 PolarHBondContact N-OD2 3.25Å; G282-D285 VanDerWaalsContact O-CB 3.27Å; G282-D285 WeakPolarHBondContact O-CB 3.49Å; G282-D285 PolarHBondContact O-N 2.9Å; D285-A310 HydrophobicContact CB-CB 4.13Å; D285-A310 WeakPolarHBondContact O-CB 3.41Å; D285-A310 PolarHBondContact O-N 3.41Å
286	F	93.1	Very high	92.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	179.4	-75.5	-101.4	0	0	0	110.1	K250 D251 V252 L307 V308 Q309	K250-F286 PolarHBondContact O-N 3.14Å; D251-F286 CarbonylContact C-O 3.56Å; D251-F286 WeakPolarHBondContact CA-O 3.4Å; V252-F286 PolarHBondContact N-O 2.84Å; F286-L307 HydrophobicContact CB-CB 4.15Å; F286-L307 HydrophobicContact CB-CD1 4.32Å; F286-V308 CarbonylContact C-O 3.49Å; F286-V308 VanDerWaalsContact CA-O 3.27Å; F286-V308 WeakPolarHBondContact CA-O 3.18Å; F286-Q309 HydrophobicContact CE1-CB 3.91Å; F286-Q309 HydrophobicContact CE1-CG 4.48Å; F286-Q309 HydrophobicContact CE2-CG 4.27Å; F286-Q309 HydrophobicContact CZ-CB 3.86Å; F286-Q309 HydrophobicContact CZ-CG 3.93Å
287	F	94.8	Very high	92.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.1	179.1	81.6	-70.7	0	0	0	114.2	V252 L278 L281 I289 V308 A310 K315 F318	V252-F287 WeakPolarHBondContact O-CA 3.01Å; L278-F287 HydrophobicContact CD2-CD2 3.55Å; L278-F287 HydrophobicContact CD2-CE2 3.4Å; L278-F287 HydrophobicContact CD2-CG 4.22Å; L278-F287 HydrophobicContact CD2-CZ 3.95Å; L281-F287 HydrophobicContact CD1-CB 3.72Å; L281-F287 HydrophobicContact CD1-CD1 4.13Å; L281-F287 HydrophobicContact CD1-CG 3.86Å; F287-I289 HydrophobicContact CD2-CD1 4.42Å; F287-I289 HydrophobicContact CD2-CG1 3.98Å; F287-I289 HydrophobicContact CE2-CD1 4.1Å; F287-I289 HydrophobicContact CE2-CG1 4.03Å; F287-V308 HydrophobicContact CD1-CG2 4.23Å; F287-V308 HydrophobicContact CE1-CG2 3.88Å; F287-V308 HydrophobicContact CZ-CG2 4.25Å; F287-V308 PolarHBondContact N-O 3.48Å; F287-V308 WeakPolarHBondContact O-CG2 3.32Å; F287-V308 PolarHBondContact O-N 3.08Å; F287-A310 HydrophobicContact CD1-CB 3.81Å; F287-A310 HydrophobicContact CE1-CB 4.18Å; F287-K315 HydrophobicContact CE1-CG 4.29Å; F287-K315 HydrophobicContact CZ-CG 4.32Å; F287-F318 HydrophobicContact CE2-CB 4.21Å; F287-F318 HydrophobicContact CE2-CD1 4.16Å; F287-F318 AromaticContact CE2-CD2 3.78Å; F287-F318 HydrophobicContact CE2-CD2 3.78Å; F287-F318 HydrophobicContact CE2-CE1 4.48Å; F287-F318 HydrophobicContact CE2-CE2 4.14Å; F287-F318 AromaticContact CE2-CG 3.78Å; F287-F318 HydrophobicContact CE2-CG 3.78Å; F287-F318 HydrophobicContact CE2-CZ 4.46Å; F287-F318 HydrophobicContact CZ-CB 4.32Å; F287-F318 AromaticContact CZ-CD2 3.56Å; F287-F318 HydrophobicContact CZ-CD2 3.56Å; F287-F318 HydrophobicContact CZ-CE2 4Å; F287-F318 AromaticContact CZ-CG 3.97Å; F287-F318 HydrophobicContact CZ-CG 3.97Å
288	N	94.8	Very high	92.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159	157.2	-163	-8.4	0	0	0	108.8	V252 I254 Y298 L303 T306 L307	V252-N288 PolarHBondContact O-N 3.49Å; I254-N288 PolarHBondContact N-O 2.83Å; N288-Y298 VanDerWaalsContact ND2-CD1 3.34Å; N288-Y298 WeakPolarHBondContact ND2-CD1 3.43Å; N288-L303 PolarHBondContact ND2-O 2.83Å; N288-T306 PolarHBondContact ND2-O 3.44Å; N288-L307 HydrophobicContact CB-CD2 3.76Å
289	I	95.8	Very high	91.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.3	-177.2	-43.5	-175.9	0	0	0	109	I254 V256 V274 L278 F287 V299 F318 L322	I254-I289 HydrophobicContact CB-CG1 4.32Å; I254-I289 HydrophobicContact CB-CG2 4.21Å; I254-I289 HydrophobicContact CD1-CG1 4.33Å; I254-I289 HydrophobicContact CG2-CG2 4.29Å; I254-I289 WeakPolarHBondContact O-CA 3.18Å; V256-I289 HydrophobicContact CG2-CG2 3.64Å; V274-I289 HydrophobicContact CG1-CD1 3.76Å; L278-I289 HydrophobicContact CD1-CD1 4.32Å; L278-I289 HydrophobicContact CD2-CD1 4.42Å; F287-I289 HydrophobicContact CD2-CD1 4.42Å; F287-I289 HydrophobicContact CD2-CG1 3.98Å; F287-I289 HydrophobicContact CE2-CD1 4.1Å; F287-I289 HydrophobicContact CE2-CG1 4.03Å; I289-V299 HydrophobicContact CB-CB 4.15Å; I289-V299 HydrophobicContact CB-CG2 3.75Å; I289-V299 HydrophobicContact CG2-CG2 3.61Å; I289-V299 WeakPolarHBondContact O-CG2 3.41Å; I289-V299 PolarHBondContact O-N 3Å; I289-F318 HydrophobicContact CB-CD1 4.26Å; I289-F318 HydrophobicContact CB-CE1 4.24Å; I289-F318 HydrophobicContact CD1-CB 4.26Å; I289-F318 HydrophobicContact CD1-CD1 3.69Å; I289-F318 HydrophobicContact CD1-CE1 4.43Å; I289-F318 HydrophobicContact CD1-CG 4.27Å; I289-F318 HydrophobicContact CG1-CD1 3.83Å; I289-F318 HydrophobicContact CG1-CE1 4.06Å; I289-L322 HydrophobicContact CD1-CD1 4.24Å; I289-L322 HydrophobicContact CD1-CD2 4.07Å; I289-L322 HydrophobicContact CD1-CG 4.42Å; I289-L322 HydrophobicContact CG2-CD2 4.28Å
290	I	95.5	Very high	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.5	178	-53.7	174.7	0	0	0	107.6	V253 I254 L255 V256 L296 Y298 E339 L343	V253-I290 HydrophobicContact CG1-CD1 3.9Å; V253-I290 HydrophobicContact CG1-CG1 4.37Å; I254-I290 PolarHBondContact O-N 3.39Å; L255-I290 WeakPolarHBondContact CA-O 3.24Å; L255-I290 HydrophobicContact CD2-CB 3.88Å; L255-I290 HydrophobicContact CD2-CD1 4.23Å; L255-I290 HydrophobicContact CD2-CG1 4.48Å; L255-I290 HydrophobicContact CD2-CG2 4.44Å; V256-I290 PolarHBondContact N-O 2.68Å; I290-L296 HydrophobicContact CG2-CD2 4.44Å; I290-Y298 HydrophobicContact CD1-CD1 4.43Å; I290-Y298 HydrophobicContact CD1-CE1 3.74Å; I290-Y298 HydrophobicContact CG1-CD1 3.82Å; I290-Y298 HydrophobicContact CG1-CE1 3.64Å; I290-E339 HydrophobicContact CD1-CG 4.47Å; I290-L343 HydrophobicContact CD1-CD2 4.49Å
291	A	94.8	Very high	91.6	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.017	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.6	167.6	0	0	0	0	0	109	V256 V258 H297 V299 L325	V256-A291 WeakPolarHBondContact O-CA 3.39Å; V258-A291 HydrophobicContact CG1-CB 3.93Å; V258-A291 HydrophobicContact CG2-CB 3.95Å; A291-H297 PolarHBondContact N-O 2.79Å; A291-H297 PolarHBondContact O-N 2.9Å; A291-H297 VanDerWaalsContact O-O 3.1Å; A291-V299 HydrophobicContact CB-CG2 4.45Å; A291-L325 HydrophobicContact CB-CD2 4.07Å
292	Y	94.7	Very high	91.2	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.3	179.8	71.5	-93.2	0	0	0	112.9	L255 V256 D257 V258 L333 A336 L362 T364	L255-Y292 HydrophobicContact CB-CD1 4.31Å; L255-Y292 HydrophobicContact CB-CE1 4.16Å; V256-Y292 WeakPolarHBondContact O-CD1 3.48Å; V256-Y292 PolarHBondContact O-N 3.22Å; D257-Y292 HydrophobicContact CB-CE1 4.17Å; D257-Y292 HydrophobicContact CB-CE2 4.24Å; D257-Y292 WeakPolarHBondContact CB-OH 3.48Å; D257-Y292 WeakPolarHBondContact OD2-CE2 3.38Å; D257-Y292 PolarHBondContact OD2-OH 3.47Å; V258-Y292 WeakPolarHBondContact CG2-O 3.41Å; V258-Y292 PolarHBondContact N-O 3.12Å; Y292-L333 HydrophobicContact CE1-CD1 4.24Å; Y292-L333 HydrophobicContact CE2-CB 4.34Å; Y292-A336 HydrophobicContact CD1-CB 3.82Å; Y292-A336 HydrophobicContact CD2-CB 4.44Å; Y292-A336 HydrophobicContact CG-CB 3.78Å; Y292-L362 HydrophobicContact CE1-CD1 3.97Å; Y292-T364 WeakPolarHBondContact OH-CB 3.45Å; Y292-T364 PolarHBondContact OH-OG1 3.28Å
293	N	92.1	Very high	91	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.043	15%	0.146	C	C	.	.	S	Bend	trans	-143.6	-120.9	166.7	56.3	16.7	0	0	0	108.5	V258 E295 Q328 I330 M332	V258-N293 HydrophobicContact CG2-CB 4.23Å; N293-E295 PolarHBondContact N-O 3.33Å; N293-E295 PolarHBondContact OD1-N 2.89Å; N293-E295 PolarHBondContact OD1-O 2.94Å; N293-Q328 VanDerWaalsContact CB-O 3.23Å; N293-Q328 WeakPolarHBondContact CB-O 3.29Å; N293-Q328 PolarHBondContact ND2-O 3.12Å; N293-I330 CarbonylContact C-O 3.5Å; N293-I330 VanDerWaalsContact CA-O 3.32Å; N293-I330 WeakPolarHBondContact CA-O 3.39Å; N293-M332 WeakPolarHBondContact O-CB 3.34Å; N293-M332 PolarHBondContact O-N 2.86Å
294	E	89.5	Confident	90.8	Very high	108 Å²	108	33 Å²	33	51%	0.505	17%	0.171	S	C	.	.	S	Bend	trans	-73.5	-19.8	171.7	-68.8	168.8	-150.6	0	0	111.5	G329 I330 M335	E294-G329 WeakPolarHBondContact OE1-CA 3.18Å; E294-I330 HydrophobicContact CG-CB 4.2Å; E294-I330 PolarHBondContact N-O 3.31Å; E294-I330 PolarHBondContact OE1-N 2.99Å; E294-I330 VanDerWaalsContact OE1-N 3.11Å; E294-M335 WeakPolarHBondContact O-CE 3.44Å
295	E	88.9	Confident	90.6	Very high	126 Å²	126	33.3 Å²	33.3	59%	0.589	18%	0.182	S	C	*	.	S	Bend	trans	-128	171	172.3	-65.2	-172.3	173.3	0	0	110.7	N293 H297	N293-E295 PolarHBondContact N-O 3.33Å; N293-E295 PolarHBondContact OD1-N 2.89Å; N293-E295 PolarHBondContact OD1-O 2.94Å; E295-H297 IonicContact OE2-CE1 3.68Å
296	L	91.4	Very high	90.4	Very high	53 Å²	53	34.7 Å²	34.7	28%	0.277	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.4	173.3	-61.4	-179.6	0	0	0	110.1	I290 M335 A336 E339	I290-L296 HydrophobicContact CG2-CD2 4.44Å; L296-M335 HydrophobicContact CD1-CB 4.25Å; L296-M335 HydrophobicContact CD2-CB 4.28Å; L296-M335 HydrophobicContact CG-CB 4.34Å; L296-A336 HydrophobicContact CD2-CB 3.82Å; L296-E339 HydrophobicContact CD1-CB 3.73Å; L296-E339 HydrophobicContact CD1-CG 4.16Å
297	H	91.7	Very high	90.3	Very high	76 Å²	76	34.7 Å²	34.7	35%	0.352	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113	179.3	-60	-33.2	0	0	0	110	A291 E295 V299	A291-H297 PolarHBondContact N-O 2.79Å; A291-H297 PolarHBondContact O-N 2.9Å; A291-H297 VanDerWaalsContact O-O 3.1Å; E295-H297 IonicContact OE2-CE1 3.68Å; H297-V299 PolarHBondContact O-N 3.22Å
298	Y	92.1	Very high	90.1	Very high	24 Å²	24	34.8 Å²	34.8	9%	0.094	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.9	165.9	-70.5	-89.4	0	0	0	109.1	N288 I290 E300 N304 E339 L343	N288-Y298 VanDerWaalsContact ND2-CD1 3.34Å; N288-Y298 WeakPolarHBondContact ND2-CD1 3.43Å; I290-Y298 HydrophobicContact CD1-CD1 4.43Å; I290-Y298 HydrophobicContact CD1-CE1 3.74Å; I290-Y298 HydrophobicContact CG1-CD1 3.82Å; I290-Y298 HydrophobicContact CG1-CE1 3.64Å; Y298-E300 PolarHBondContact O-N 3.2Å; Y298-N304 HydrophobicContact CD2-CB 3.88Å; Y298-N304 HydrophobicContact CE2-CB 4.09Å; Y298-N304 WeakPolarHBondContact CE2-OD1 3.01Å; Y298-N304 HydrophobicContact CG-CB 4.37Å; Y298-E339 PolarHBondContact OH-OE1 2.69Å; Y298-L343 HydrophobicContact CE1-CD2 4.41Å
299	V	90.1	Very high	89.9	Confident	13 Å²	13	35.5 Å²	35.5	8%	0.079	19%	0.194	C	C	.	.	S	Bend	trans	-61.2	-33.8	-179.7	173.6	0	0	0	0	111.3	I289 A291 H297 F318 H321 L322 L325	I289-V299 HydrophobicContact CB-CB 4.15Å; I289-V299 HydrophobicContact CB-CG2 3.75Å; I289-V299 HydrophobicContact CG2-CG2 3.61Å; I289-V299 WeakPolarHBondContact O-CG2 3.41Å; I289-V299 PolarHBondContact O-N 3Å; A291-V299 HydrophobicContact CB-CG2 4.45Å; H297-V299 PolarHBondContact O-N 3.22Å; V299-F318 HydrophobicContact CB-CD1 4.21Å; V299-F318 HydrophobicContact CB-CE1 4.19Å; V299-F318 HydrophobicContact CG1-CD1 4.03Å; V299-F318 HydrophobicContact CG1-CE1 4.46Å; V299-H321 HydrophobicContact CG1-CB 3.56Å; V299-L322 HydrophobicContact CG1-CD2 4.38Å; V299-L322 HydrophobicContact CG2-CD2 4.42Å; V299-L325 HydrophobicContact CG2-CD1 4.24Å; V299-L325 HydrophobicContact CG2-CD2 4.33Å
300	E	89.3	Confident	89.7	Confident	17 Å²	17	35.5 Å²	35.5	8%	0.079	19%	0.194	C	C	.	.	S	Bend	trans	-111.8	102.8	165.2	175.5	43	-103.4	0	0	109.2	Y298 C302 L303 H317 F318	Y298-E300 PolarHBondContact O-N 3.2Å; E300-C302 VanDerWaalsContact CD-SG 3.53Å; E300-C302 PolarHBondContact O-N 3.3Å; E300-C302 VanDerWaalsContact O-N 3.15Å; E300-C302 WeakPolarHBondContact OE1-CB 3.28Å; E300-C302 PolarHBondContact OE1-N 3Å; E300-C302 PolarHBondContact OE1-SG 3.43Å; E300-L303 HydrophobicContact CB-CB 4.44Å; E300-L303 HydrophobicContact CB-CD1 4.04Å; E300-L303 HydrophobicContact CB-CG 4.37Å; E300-L303 HydrophobicContact CG-CB 4.24Å; E300-L303 HydrophobicContact CG-CD1 3.75Å; E300-L303 HydrophobicContact CG-CG 3.8Å; E300-L303 PolarHBondContact O-N 3.22Å; E300-H317 IonicContact OE2-NE2 2.79Å; E300-H317 PolarHBondContact OE2-NE2 2.75Å; E300-F318 HydrophobicContact CB-CE1 4.15Å; E300-F318 HydrophobicContact CB-CZ 3.98Å
301	P	85.7	Confident	89.3	Confident	96 Å²	96	36.5 Å²	36.5	62%	0.623	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-55.4	-30.4	-177.2	-28.2	35.8	0	0	0	114.7	L303 N304	P301-L303 VanDerWaalsContact C-N 3.27Å; P301-L303 PolarHBondContact O-N 2.9Å; P301-N304 WeakPolarHBondContact O-CB 3.33Å; P301-N304 PolarHBondContact O-N 2.75Å
302	C	84.2	Confident	88.7	Confident	29 Å²	29	37.6 Å²	37.6	20%	0.196	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-71.7	-22.8	-179.2	78.5	0	0	0	0	112.6	E300 N304 C1029 K1033	E300-C302 VanDerWaalsContact CD-SG 3.53Å; E300-C302 PolarHBondContact O-N 3.3Å; E300-C302 VanDerWaalsContact O-N 3.15Å; E300-C302 WeakPolarHBondContact OE1-CB 3.28Å; E300-C302 PolarHBondContact OE1-N 3Å; E300-C302 PolarHBondContact OE1-SG 3.43Å; C302-N304 VanDerWaalsContact C-N 3.32Å; C302-N304 PolarHBondContact O-N 3.2Å; C302-C1029 HydrophobicContact CB-CB 3.67Å; C302-C1029 WeakPolarHBondContact CB-SG 3.27Å; C302-C1029 WeakPolarHBondContact SG-CB 3.48Å; C302-C1029 CovalentContact SG-SG 2.03Å; C302-C1029 PolarHBondContact SG-SG 3Å; C302-K1033 WeakPolarHBondContact O-CE 3.37Å; C302-K1033 PolarHBondContact O-NZ 3.09Å
303	L	83.4	Confident	88.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-89.8	14.1	179.9	-65.6	173.9	0	0	0	114.2	N288 E300 P301 G305 T306 V308 F318 L1032 K1033	N288-L303 PolarHBondContact ND2-O 2.83Å; E300-L303 HydrophobicContact CB-CB 4.44Å; E300-L303 HydrophobicContact CB-CD1 4.04Å; E300-L303 HydrophobicContact CB-CG 4.37Å; E300-L303 HydrophobicContact CG-CB 4.24Å; E300-L303 HydrophobicContact CG-CD1 3.75Å; E300-L303 HydrophobicContact CG-CG 3.8Å; E300-L303 PolarHBondContact O-N 3.22Å; P301-L303 VanDerWaalsContact C-N 3.27Å; P301-L303 PolarHBondContact O-N 2.9Å; L303-G305 PolarHBondContact O-N 3.13Å; L303-T306 PolarHBondContact O-N 3.17Å; L303-T306 PolarHBondContact O-OG1 2.95Å; L303-V308 HydrophobicContact CD1-CG1 3.51Å; L303-V308 HydrophobicContact CD1-CG2 4.25Å; L303-V308 HydrophobicContact CD2-CG1 3.51Å; L303-V308 HydrophobicContact CG-CG1 4.1Å; L303-F318 HydrophobicContact CD1-CE2 3.68Å; L303-F318 HydrophobicContact CD1-CZ 3.66Å; L303-L1032 HydrophobicContact CD2-CB 4.19Å; L303-K1033 HydrophobicContact CD2-CG 3.84Å
304	N	84.6	Confident	88	Confident	104 Å²	104	41.4 Å²	41.4	56%	0.556	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	129.5	174.1	-173.8	-12.4	0	0	0	111.9	Y298 P301 C302 T306	Y298-N304 HydrophobicContact CD2-CB 3.88Å; Y298-N304 HydrophobicContact CE2-CB 4.09Å; Y298-N304 WeakPolarHBondContact CE2-OD1 3.01Å; Y298-N304 HydrophobicContact CG-CB 4.37Å; P301-N304 WeakPolarHBondContact O-CB 3.33Å; P301-N304 PolarHBondContact O-N 2.75Å; C302-N304 VanDerWaalsContact C-N 3.32Å; C302-N304 PolarHBondContact O-N 3.2Å; N304-T306 VanDerWaalsContact C-N 3.28Å; N304-T306 PolarHBondContact O-N 2.89Å
305	G	83.8	Confident	88	Confident	35 Å²	35	36.9 Å²	36.9	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	12.2	-177.8	0	0	0	0	0	115.5	L303 L343	L303-G305 PolarHBondContact O-N 3.13Å; G305-L343 WeakPolarHBondContact O-CD1 3.45Å
306	T	88.9	Confident	87.8	Confident	36 Å²	36	33.4 Å²	33.4	22%	0.221	19%	0.193	C	C	.	.			trans	-135.1	148.5	-179.2	51.7	0	0	0	0	114.1	N288 L303 N304 F347	N288-T306 PolarHBondContact ND2-O 3.44Å; L303-T306 PolarHBondContact O-N 3.17Å; L303-T306 PolarHBondContact O-OG1 2.95Å; N304-T306 VanDerWaalsContact C-N 3.28Å; N304-T306 PolarHBondContact O-N 2.89Å; T306-F347 HydrophobicContact CG2-CE2 4.42Å; T306-F347 HydrophobicContact CG2-CZ 4.25Å
307	L	90.3	Very high	87.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.			trans	-97	148	165	-54.7	178.3	0	0	0	110.1	D251 V253 F286 N288 L343 L344 F347 Q1035	D251-L307 HydrophobicContact CB-CD1 4Å; V253-L307 HydrophobicContact CG2-CD2 4.12Å; F286-L307 HydrophobicContact CB-CB 4.15Å; F286-L307 HydrophobicContact CB-CD1 4.32Å; N288-L307 HydrophobicContact CB-CD2 3.76Å; L307-L343 HydrophobicContact CD2-CD2 3.75Å; L307-L343 HydrophobicContact CD2-CG 4.04Å; L307-L343 HydrophobicContact CG-CG 4.42Å; L307-L344 HydrophobicContact CD1-CD2 4.38Å; L307-F347 HydrophobicContact CB-CD1 3.95Å; L307-F347 HydrophobicContact CB-CE1 3.74Å; L307-F347 HydrophobicContact CB-CG 4.5Å; L307-F347 HydrophobicContact CB-CZ 4.16Å; L307-F347 HydrophobicContact CD1-CB 4.23Å; L307-F347 HydrophobicContact CD1-CD1 3.86Å; L307-F347 HydrophobicContact CD1-CG 3.91Å; L307-F347 HydrophobicContact CG-CD1 3.95Å; L307-F347 HydrophobicContact CG-CD2 4.26Å; L307-F347 HydrophobicContact CG-CE1 4.16Å; L307-F347 HydrophobicContact CG-CE2 4.49Å; L307-F347 HydrophobicContact CG-CG 4.03Å; L307-F347 HydrophobicContact CG-CZ 4.45Å; L307-Q1035 PolarHBondContact O-NE2 3.41Å
308	V	91.4	Very high	87.5	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.1	173.6	-67	0	0	0	0	111.7	F286 F287 L303 F318	F286-V308 CarbonylContact C-O 3.49Å; F286-V308 VanDerWaalsContact CA-O 3.27Å; F286-V308 WeakPolarHBondContact CA-O 3.18Å; F287-V308 HydrophobicContact CD1-CG2 4.23Å; F287-V308 HydrophobicContact CE1-CG2 3.88Å; F287-V308 HydrophobicContact CZ-CG2 4.25Å; F287-V308 PolarHBondContact N-O 3.48Å; F287-V308 WeakPolarHBondContact O-CG2 3.32Å; F287-V308 PolarHBondContact O-N 3.08Å; L303-V308 HydrophobicContact CD1-CG1 3.51Å; L303-V308 HydrophobicContact CD1-CG2 4.25Å; L303-V308 HydrophobicContact CD2-CG1 3.51Å; L303-V308 HydrophobicContact CG-CG1 4.1Å; V308-F318 HydrophobicContact CG2-CE2 3.79Å; V308-F318 HydrophobicContact CG2-CZ 4.38Å
309	Q	90	Very high	87.4	Confident	16 Å²	16	29.7 Å²	29.7	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141.6	175.9	-167.4	175.2	-43.6	0	0	110.6	D283 F286 D311 N314 Y521	D283-Q309 WeakPolarHBondContact O-CG 3.49Å; D283-Q309 PolarHBondContact O-NE2 2.9Å; D283-Q309 VanDerWaalsContact O-NE2 3.1Å; F286-Q309 HydrophobicContact CE1-CB 3.91Å; F286-Q309 HydrophobicContact CE1-CG 4.48Å; F286-Q309 HydrophobicContact CE2-CG 4.27Å; F286-Q309 HydrophobicContact CZ-CB 3.86Å; F286-Q309 HydrophobicContact CZ-CG 3.93Å; Q309-D311 VanDerWaalsContact CG-OD1 3.31Å; Q309-D311 WeakPolarHBondContact CG-OD1 3.41Å; Q309-D311 PolarHBondContact NE2-OD1 3.32Å; Q309-D311 PolarHBondContact NE2-OD2 3.48Å; Q309-D311 PolarHBondContact O-N 3.24Å; Q309-N314 WeakPolarHBondContact O-CB 3.26Å; Q309-N314 PolarHBondContact O-ND2 2.66Å; Q309-Y521 PolarHBondContact NE2-OH 3.03Å
310	A	90.6	Very high	87.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.			trans	-81.3	44.1	-175.7	0	0	0	0	0	114.1	L281 D285 F287 K315	L281-A310 HydrophobicContact CB-CB 3.53Å; L281-A310 HydrophobicContact CD1-CB 4.03Å; L281-A310 HydrophobicContact CG-CB 4.44Å; D285-A310 HydrophobicContact CB-CB 4.13Å; D285-A310 WeakPolarHBondContact O-CB 3.41Å; D285-A310 PolarHBondContact O-N 3.41Å; F287-A310 HydrophobicContact CD1-CB 3.81Å; F287-A310 HydrophobicContact CE1-CB 4.18Å; A310-K315 WeakPolarHBondContact O-CD 3.29Å; A310-K315 WeakPolarHBondContact O-CE 3Å; A310-K315 PolarHBondContact O-NZ 3.24Å
311	D	87.1	Confident	87.3	Confident	21 Å²	21	35.1 Å²	35.1	11%	0.112	20%	0.198	C	C	.	.			trans	-70.6	159.3	177.3	-57.5	-29	0	0	0	111.8	Q309 T313 N314 K315 Y521	Q309-D311 VanDerWaalsContact CG-OD1 3.31Å; Q309-D311 WeakPolarHBondContact CG-OD1 3.41Å; Q309-D311 PolarHBondContact NE2-OD1 3.32Å; Q309-D311 PolarHBondContact NE2-OD2 3.48Å; Q309-D311 PolarHBondContact O-N 3.24Å; D311-T313 VanDerWaalsContact C-N 3.34Å; D311-T313 PolarHBondContact O-N 3.06Å; D311-N314 PolarHBondContact O-N 2.95Å; D311-K315 WeakPolarHBondContact O-CB 3.46Å; D311-K315 WeakPolarHBondContact O-CE 3.28Å; D311-K315 WeakPolarHBondContact O-CG 3.22Å; D311-K315 PolarHBondContact O-N 3.31Å; D311-Y521 VanDerWaalsContact CG-OH 3.26Å; D311-Y521 PolarHBondContact OD1-OH 2.96Å
312	V	84	Confident	87.5	Confident	25 Å²	25	30.9 Å²	30.9	15%	0.152	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-45.8	-178.2	-170.1	0	0	0	0	111.4	N314 K315 D316 N542	V312-N314 PolarHBondContact O-N 3.06Å; V312-K315 PolarHBondContact O-N 3.05Å; V312-D316 WeakPolarHBondContact O-CB 3.46Å; V312-D316 PolarHBondContact O-N 3.48Å; V312-N542 WeakPolarHBondContact CG1-OD1 2.97Å
313	T	82.9	Confident	87.6	Confident	70 Å²	70	34.7 Å²	34.7	43%	0.429	19%	0.188	S	C	.	.	H	α-helix	trans	-58	-44.6	176.2	45.7	0	0	0	0	113	D311 H317 N542	D311-T313 VanDerWaalsContact C-N 3.34Å; D311-T313 PolarHBondContact O-N 3.06Å; T313-H317 WeakPolarHBondContact O-CB 3.36Å; T313-H317 PolarHBondContact O-N 3.26Å; T313-N542 WeakPolarHBondContact CG2-ND2 3.45Å
314	N	87.6	Confident	87.8	Confident	18 Å²	18	40.9 Å²	40.9	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-44.7	179.5	-64.7	-15.5	0	0	0	110.6	Q309 D311 V312 D316 H317 F318 L1032	Q309-N314 WeakPolarHBondContact O-CB 3.26Å; Q309-N314 PolarHBondContact O-ND2 2.66Å; D311-N314 PolarHBondContact O-N 2.95Å; V312-N314 PolarHBondContact O-N 3.06Å; N314-D316 PolarHBondContact O-N 3.43Å; N314-H317 PolarHBondContact O-N 3.22Å; N314-F318 WeakPolarHBondContact O-CD2 3.11Å; N314-F318 PolarHBondContact O-N 2.88Å; N314-L1032 WeakPolarHBondContact OD1-CD2 3.33Å
315	K	89.4	Confident	88	Confident	13 Å²	13	37.1 Å²	37.1	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-44.2	177.2	-74	-177.9	-68.9	-147.5	0	112.1	L278 L281 F287 A310 D311 V312 F318 R319	L278-K315 HydrophobicContact CB-CD 4.15Å; L278-K315 HydrophobicContact CB-CG 4.22Å; L278-K315 HydrophobicContact CD2-CG 4.5Å; L278-K315 WeakPolarHBondContact O-CD 3.42Å; L281-K315 PolarHBondContact O-NZ 2.9Å; F287-K315 HydrophobicContact CE1-CG 4.29Å; F287-K315 HydrophobicContact CZ-CG 4.32Å; A310-K315 WeakPolarHBondContact O-CD 3.29Å; A310-K315 WeakPolarHBondContact O-CE 3Å; A310-K315 PolarHBondContact O-NZ 3.24Å; D311-K315 WeakPolarHBondContact O-CB 3.46Å; D311-K315 WeakPolarHBondContact O-CE 3.28Å; D311-K315 WeakPolarHBondContact O-CG 3.22Å; D311-K315 PolarHBondContact O-N 3.31Å; V312-K315 PolarHBondContact O-N 3.05Å; K315-F318 PolarHBondContact O-N 2.94Å; K315-R319 WeakPolarHBondContact O-CG 3.44Å; K315-R319 PolarHBondContact O-N 2.92Å
316	D	85.8	Confident	88.3	Confident	53 Å²	53	41.9 Å²	41.9	28%	0.283	21%	0.206	S	C	.	.	H	α-helix	trans	-68	-39.5	178	-70.7	-17.2	0	0	0	112.1	V312 N314 F318 R319 E320	V312-D316 WeakPolarHBondContact O-CB 3.46Å; V312-D316 PolarHBondContact O-N 3.48Å; N314-D316 PolarHBondContact O-N 3.43Å; D316-F318 VanDerWaalsContact C-N 3.33Å; D316-F318 PolarHBondContact O-N 2.94Å; D316-R319 WeakPolarHBondContact O-CB 3.44Å; D316-R319 PolarHBondContact O-N 3.08Å; D316-R319 VanDerWaalsContact O-N 3.15Å; D316-R319 IonicContact OD1-CZ 3.74Å; D316-R319 IonicContact OD1-NH1 3.18Å; D316-R319 PolarHBondContact OD1-NH1 3.25Å; D316-E320 PolarHBondContact O-N 3.13Å; D316-E320 VanDerWaalsContact O-N 3.12Å
317	H	86.5	Confident	88.3	Confident	20 Å²	20	41.1 Å²	41.1	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-40.2	172.2	176.3	61.8	0	0	0	112.8	E300 T313 N314 E320 H321 K1028	E300-H317 IonicContact OE2-NE2 2.79Å; E300-H317 PolarHBondContact OE2-NE2 2.75Å; T313-H317 WeakPolarHBondContact O-CB 3.36Å; T313-H317 PolarHBondContact O-N 3.26Å; N314-H317 PolarHBondContact O-N 3.22Å; H317-E320 IonicContact CE1-OE2 3.39Å; H317-E320 PolarHBondContact CE1-OE2 2.81Å; H317-H321 AromaticContact CE1-CE1 3.47Å; H317-H321 PolarHBondContact CE1-CE1 3.13Å; H317-H321 VanDerWaalsContact CE1-CE1 3.47Å; H317-H321 AromaticContact CE1-ND1 3.7Å; H317-H321 AromaticContact ND1-CE1 3.66Å; H317-H321 AromaticContact ND1-ND1 3.8Å; H317-H321 AromaticContact NE2-CE1 2.85Å; H317-H321 PolarHBondContact NE2-CE1 3.09Å; H317-H321 AromaticContact NE2-ND1 3.55Å; H317-H321 AromaticContact NE2-NE2 3.63Å; H317-H321 PolarHBondContact O-ND1 2.77Å; H317-K1028 PolarHBondContact CE1-NZ 3.26Å; H317-K1028 PolarHBondContact ND1-NZ 2.82Å
318	F	90.8	Very high	88.4	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-37.1	173.7	-89.6	-91.3	0	0	0	112.2	L278 F287 I289 V299 E300 L303 V308 N314 K315 D316 E320 H321 L322	L278-F318 HydrophobicContact CD1-CB 4.4Å; F287-F318 HydrophobicContact CE2-CB 4.21Å; F287-F318 HydrophobicContact CE2-CD1 4.16Å; F287-F318 AromaticContact CE2-CD2 3.78Å; F287-F318 HydrophobicContact CE2-CD2 3.78Å; F287-F318 HydrophobicContact CE2-CE1 4.48Å; F287-F318 HydrophobicContact CE2-CE2 4.14Å; F287-F318 AromaticContact CE2-CG 3.78Å; F287-F318 HydrophobicContact CE2-CG 3.78Å; F287-F318 HydrophobicContact CE2-CZ 4.46Å; F287-F318 HydrophobicContact CZ-CB 4.32Å; F287-F318 AromaticContact CZ-CD2 3.56Å; F287-F318 HydrophobicContact CZ-CD2 3.56Å; F287-F318 HydrophobicContact CZ-CE2 4Å; F287-F318 AromaticContact CZ-CG 3.97Å; F287-F318 HydrophobicContact CZ-CG 3.97Å; I289-F318 HydrophobicContact CB-CD1 4.26Å; I289-F318 HydrophobicContact CB-CE1 4.24Å; I289-F318 HydrophobicContact CD1-CB 4.26Å; I289-F318 HydrophobicContact CD1-CD1 3.69Å; I289-F318 HydrophobicContact CD1-CE1 4.43Å; I289-F318 HydrophobicContact CD1-CG 4.27Å; I289-F318 HydrophobicContact CG1-CD1 3.83Å; I289-F318 HydrophobicContact CG1-CE1 4.06Å; V299-F318 HydrophobicContact CB-CD1 4.21Å; V299-F318 HydrophobicContact CB-CE1 4.19Å; V299-F318 HydrophobicContact CG1-CD1 4.03Å; V299-F318 HydrophobicContact CG1-CE1 4.46Å; E300-F318 HydrophobicContact CB-CE1 4.15Å; E300-F318 HydrophobicContact CB-CZ 3.98Å; L303-F318 HydrophobicContact CD1-CE2 3.68Å; L303-F318 HydrophobicContact CD1-CZ 3.66Å; V308-F318 HydrophobicContact CG2-CE2 3.79Å; V308-F318 HydrophobicContact CG2-CZ 4.38Å; N314-F318 WeakPolarHBondContact O-CD2 3.11Å; N314-F318 PolarHBondContact O-N 2.88Å; K315-F318 PolarHBondContact O-N 2.94Å; D316-F318 VanDerWaalsContact C-N 3.33Å; D316-F318 PolarHBondContact O-N 2.94Å; F318-E320 PolarHBondContact O-N 2.9Å; F318-H321 PolarHBondContact O-N 2.78Å; F318-L322 WeakPolarHBondContact O-CG 3.16Å; F318-L322 PolarHBondContact O-N 3.45Å
319	R	90.3	Very high	88.2	Confident	55 Å²	55	47.1 Å²	47.1	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-46.2	174.8	-74.3	165.6	170.1	152.4	-1.4	112.4	S275 L278 D279 K315 D316 H321 L322 D323	S275-R319 PolarHBondContact OG-NE 2.86Å; L278-R319 HydrophobicContact CD1-CG 4.36Å; D279-R319 IonicContact OD1-CZ 3.15Å; D279-R319 IonicContact OD1-NH2 2.71Å; D279-R319 PolarHBondContact OD1-NH2 3.24Å; D279-R319 IonicContact OD2-NH2 3.35Å; D279-R319 PolarHBondContact OD2-NH2 2.83Å; K315-R319 WeakPolarHBondContact O-CG 3.44Å; K315-R319 PolarHBondContact O-N 2.92Å; D316-R319 WeakPolarHBondContact O-CB 3.44Å; D316-R319 PolarHBondContact O-N 3.08Å; D316-R319 VanDerWaalsContact O-N 3.15Å; D316-R319 IonicContact OD1-CZ 3.74Å; D316-R319 IonicContact OD1-NH1 3.18Å; D316-R319 PolarHBondContact OD1-NH1 3.25Å; R319-H321 PolarHBondContact O-N 3.28Å; R319-L322 PolarHBondContact O-N 3.12Å; R319-D323 PolarHBondContact O-N 3.32Å
320	E	87.8	Confident	88.1	Confident	112 Å²	112	52.2 Å²	52.2	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-57.5	-28.9	175.2	-67.6	176	170	0	0	113.3	D316 H317 F318 K324	D316-E320 PolarHBondContact O-N 3.13Å; D316-E320 VanDerWaalsContact O-N 3.12Å; H317-E320 IonicContact CE1-OE2 3.39Å; H317-E320 PolarHBondContact CE1-OE2 2.81Å; F318-E320 PolarHBondContact O-N 2.9Å; E320-K324 WeakPolarHBondContact O-CE 3.41Å
321	H	89.1	Confident	87.9	Confident	32 Å²	32	53.5 Å²	53.5	15%	0.148	28%	0.28	C	S	.	.	H	α-helix	trans	-89.9	-30.2	179.7	-70.6	80.7	0	0	0	113	V299 H317 F318 R319 D323 K324	V299-H321 HydrophobicContact CG1-CB 3.56Å; H317-H321 AromaticContact CE1-CE1 3.47Å; H317-H321 PolarHBondContact CE1-CE1 3.13Å; H317-H321 VanDerWaalsContact CE1-CE1 3.47Å; H317-H321 AromaticContact CE1-ND1 3.7Å; H317-H321 AromaticContact ND1-CE1 3.66Å; H317-H321 AromaticContact ND1-ND1 3.8Å; H317-H321 AromaticContact NE2-CE1 2.85Å; H317-H321 PolarHBondContact NE2-CE1 3.09Å; H317-H321 AromaticContact NE2-ND1 3.55Å; H317-H321 AromaticContact NE2-NE2 3.63Å; H317-H321 PolarHBondContact O-ND1 2.77Å; F318-H321 PolarHBondContact O-N 2.78Å; R319-H321 PolarHBondContact O-N 3.28Å; H321-D323 VanDerWaalsContact C-N 3.25Å; H321-D323 PolarHBondContact O-N 2.86Å; H321-K324 PolarHBondContact NE2-NZ 3.42Å; H321-K324 WeakPolarHBondContact O-CB 2.72Å; H321-K324 PolarHBondContact O-N 2.73Å; H321-K324 VanDerWaalsContact O-N 3.13Å
322	L	89.6	Confident	88	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-35.5	172.9	-71.1	172.5	0	0	0	112.3	R271 V274 L278 I289 V299 F318 R319 K324 L325	R271-L322 WeakPolarHBondContact CD-O 3.45Å; R271-L322 PolarHBondContact NE-O 3.02Å; V274-L322 HydrophobicContact CB-CD1 4.19Å; V274-L322 HydrophobicContact CG1-CD1 3.56Å; V274-L322 HydrophobicContact CG1-CD2 4Å; V274-L322 HydrophobicContact CG1-CG 4.45Å; L278-L322 HydrophobicContact CD1-CD1 4.31Å; I289-L322 HydrophobicContact CD1-CD1 4.24Å; I289-L322 HydrophobicContact CD1-CD2 4.07Å; I289-L322 HydrophobicContact CD1-CG 4.42Å; I289-L322 HydrophobicContact CG2-CD2 4.28Å; V299-L322 HydrophobicContact CG1-CD2 4.38Å; V299-L322 HydrophobicContact CG2-CD2 4.42Å; F318-L322 WeakPolarHBondContact O-CG 3.16Å; F318-L322 PolarHBondContact O-N 3.45Å; R319-L322 PolarHBondContact O-N 3.12Å; L322-K324 VanDerWaalsContact C-N 3.26Å; L322-K324 PolarHBondContact O-N 2.92Å; L322-L325 HydrophobicContact CD2-CD1 3.78Å; L322-L325 WeakPolarHBondContact O-CB 3.46Å; L322-L325 PolarHBondContact O-N 3.32Å
323	D	85.4	Confident	88.3	Confident	109 Å²	109	54.9 Å²	54.9	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.2	177.9	-86	-33.2	0	0	0	114.3	R271 R319 H321 L325	R271-D323 VanDerWaalsContact CZ-O 3.26Å; R271-D323 PolarHBondContact NH1-O 3.41Å; R271-D323 VanDerWaalsContact NH1-O 3.13Å; R271-D323 IonicContact NH1-OD1 3.55Å; R271-D323 PolarHBondContact NH1-OD1 2.74Å; R271-D323 VanDerWaalsContact NH1-OD1 3.1Å; R271-D323 PolarHBondContact NH2-O 2.8Å; R271-D323 VanDerWaalsContact NH2-O 3.08Å; R319-D323 PolarHBondContact O-N 3.32Å; H321-D323 VanDerWaalsContact C-N 3.25Å; H321-D323 PolarHBondContact O-N 2.86Å; D323-L325 VanDerWaalsContact C-N 3.33Å
324	K	87.9	Confident	88.7	Confident	131 Å²	131	54.4 Å²	54.4	57%	0.57	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.3	176.4	-57.4	172.7	-169	169.1	0	112.8	E320 H321 L322	E320-K324 WeakPolarHBondContact O-CE 3.41Å; H321-K324 PolarHBondContact NE2-NZ 3.42Å; H321-K324 WeakPolarHBondContact O-CB 2.72Å; H321-K324 PolarHBondContact O-N 2.73Å; H321-K324 VanDerWaalsContact O-N 3.13Å; L322-K324 VanDerWaalsContact C-N 3.26Å; L322-K324 PolarHBondContact O-N 2.92Å
325	L	88.4	Confident	89	Confident	25 Å²	25	56.7 Å²	56.7	13%	0.131	29%	0.291	C	S	.	.			trans	-67	136.8	179.9	-66.5	178.4	0	0	0	112.3	V258 R271 A291 V299 L322 D323	V258-L325 HydrophobicContact CG1-CD1 4.5Å; R271-L325 PolarHBondContact NH2-O 2.98Å; A291-L325 HydrophobicContact CB-CD2 4.07Å; V299-L325 HydrophobicContact CG2-CD1 4.24Å; V299-L325 HydrophobicContact CG2-CD2 4.33Å; L322-L325 HydrophobicContact CD2-CD1 3.78Å; L322-L325 WeakPolarHBondContact O-CB 3.46Å; L322-L325 PolarHBondContact O-N 3.32Å; D323-L325 VanDerWaalsContact C-N 3.33Å
326	F	89.6	Confident	89.1	Confident	134 Å²	134	56 Å²	56	59%	0.588	29%	0.288	S	S	*	.			trans	-132.2	142.4	179.6	59.9	-82.2	0	0	0	111.7	Q328	F326-Q328 HydrophobicContact CD2-CG 4.24Å; F326-Q328 VanDerWaalsContact CE2-CD 3.4Å; F326-Q328 HydrophobicContact CE2-CG 4.03Å
327	A	90.8	Very high	89.6	Confident	21 Å²	21	53.5 Å²	53.5	17%	0.174	27%	0.274	C	S	.	.			trans	-81.2	120.8	-176.1	0	0	0	0	0	112.2	V258 S259 K263 L267	V258-A327 CarbonylContact O-C 3.51Å; V258-A327 VanDerWaalsContact O-CA 3.27Å; V258-A327 WeakPolarHBondContact O-CA 3.29Å; S259-A327 WeakPolarHBondContact O-CB 3.45Å; K263-A327 HydrophobicContact CB-CB 3.95Å; L267-A327 HydrophobicContact CD2-CB 4.24Å
328	Q	90.6	Very high	89.9	Confident	93 Å²	93	54.5 Å²	54.5	44%	0.435	28%	0.282	S	S	.	.			trans	-156	154.7	176.4	65.3	171.6	0.9	0	0	112.5	V258 N293 F326	V258-Q328 PolarHBondContact O-N 2.77Å; N293-Q328 VanDerWaalsContact CB-O 3.23Å; N293-Q328 WeakPolarHBondContact CB-O 3.29Å; N293-Q328 PolarHBondContact ND2-O 3.12Å; F326-Q328 HydrophobicContact CD2-CG 4.24Å; F326-Q328 VanDerWaalsContact CE2-CD 3.4Å; F326-Q328 HydrophobicContact CE2-CG 4.03Å
329	G	89.2	Confident	90.1	Very high	34 Å²	34	57 Å²	57	35%	0.351	29%	0.294	S	S	.	.	S	Bend	trans	74.8	-167.4	174.9	0	0	0	0	0	115.1	G260 E294	G260-G329 PolarHBondContact N-O 3.4Å; E294-G329 WeakPolarHBondContact OE1-CA 3.18Å
330	I	87.2	Confident	90.3	Very high	123 Å²	123	54.4 Å²	54.4	63%	0.631	28%	0.284	S	S	*	.			trans	-103.7	138.1	178.7	-56.1	172.9	0	0	0	109.9	N293 E294 M332	N293-I330 CarbonylContact C-O 3.5Å; N293-I330 VanDerWaalsContact CA-O 3.32Å; N293-I330 WeakPolarHBondContact CA-O 3.39Å; E294-I330 HydrophobicContact CG-CB 4.2Å; E294-I330 PolarHBondContact N-O 3.31Å; E294-I330 PolarHBondContact OE1-N 2.99Å; E294-I330 VanDerWaalsContact OE1-N 3.11Å; I330-M332 PolarHBondContact O-N 3.07Å
331	G	86.1	Confident	90.7	Very high	27 Å²	27	49.6 Å²	49.6	28%	0.278	26%	0.261	S	S	.	.			trans	-79.2	110.5	-178.9	0	0	0	0	0	114.4	S259	S259-G331 VanDerWaalsContact CB-N 3.29Å
332	M	89.3	Confident	90.9	Very high	70 Å²	70	50.6 Å²	50.6	35%	0.345	27%	0.268	S	S	.	.			trans	-96.9	86.5	174.2	-69.3	-165.4	62.1	0	0	112.6	N293 I330 D334 M335	N293-M332 WeakPolarHBondContact O-CB 3.34Å; N293-M332 PolarHBondContact O-N 2.86Å; I330-M332 PolarHBondContact O-N 3.07Å; M332-D334 VanDerWaalsContact C-N 3.34Å; M332-D334 PolarHBondContact O-N 2.9Å; M332-M335 HydrophobicContact CB-CE 3.76Å; M332-M335 HydrophobicContact CE-CE 3.95Å; M332-M335 HydrophobicContact CE-CG 4.19Å; M332-M335 HydrophobicContact CE-SD 4.18Å; M332-M335 HydrophobicContact CG-CE 4.29Å; M332-M335 HydrophobicContact SD-CE 3.73Å
333	L	91.1	Very high	91	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-70.6	-24.1	-177.4	-179.1	57.5	0	0	0	114.1	L255 Y292 A336 L337 L362 A367 Y371 M405	L255-L333 HydrophobicContact CD1-CD1 4.43Å; Y292-L333 HydrophobicContact CE1-CD1 4.24Å; Y292-L333 HydrophobicContact CE2-CB 4.34Å; L333-A336 HydrophobicContact CD1-CB 4.46Å; L333-A336 PolarHBondContact O-N 3.02Å; L333-L337 HydrophobicContact CD1-CD1 4.23Å; L333-L337 HydrophobicContact CD1-CD2 4.43Å; L333-L337 HydrophobicContact CD1-CG 3.87Å; L333-L337 HydrophobicContact CD2-CD1 4.49Å; L333-L337 HydrophobicContact CG-CD1 3.91Å; L333-L337 HydrophobicContact CG-CG 4.09Å; L333-L337 WeakPolarHBondContact O-CB 3.2Å; L333-L337 WeakPolarHBondContact O-CG 3.39Å; L333-L337 PolarHBondContact O-N 2.96Å; L333-L362 HydrophobicContact CD1-CD1 3.55Å; L333-L362 HydrophobicContact CD1-CD2 3.99Å; L333-L362 HydrophobicContact CD1-CG 4.43Å; L333-L362 HydrophobicContact CD2-CD2 3.78Å; L333-A367 HydrophobicContact CD2-CB 4.22Å; L333-Y371 HydrophobicContact CB-CE2 4.29Å; L333-Y371 HydrophobicContact CD2-CD2 4.24Å; L333-Y371 HydrophobicContact CD2-CE2 3.75Å; L333-Y371 HydrophobicContact CG-CE2 4.2Å; L333-M405 HydrophobicContact CD2-CE 4.24Å
334	D	91.3	Very high	91.4	Very high	60 Å²	60	45.4 Å²	45.4	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-44.1	176.7	59.7	-41.3	0	0	0	112.5	M332 T338 Y371 I374	M332-D334 VanDerWaalsContact C-N 3.34Å; M332-D334 PolarHBondContact O-N 2.9Å; D334-T338 WeakPolarHBondContact O-CB 3.44Å; D334-T338 PolarHBondContact O-N 2.84Å; D334-T338 VanDerWaalsContact O-N 3.12Å; D334-T338 PolarHBondContact O-OG1 3.36Å; D334-Y371 HydrophobicContact CB-CD1 4.1Å; D334-Y371 HydrophobicContact CB-CE1 3.87Å; D334-I374 HydrophobicContact CB-CD1 4.01Å
335	M	92	Very high	91.5	Very high	66 Å²	66	40.3 Å²	40.3	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-43.6	175.5	-61.7	-161.3	-63.9	0	0	111	E294 L296 M332 T338 E339	E294-M335 WeakPolarHBondContact O-CE 3.44Å; L296-M335 HydrophobicContact CD1-CB 4.25Å; L296-M335 HydrophobicContact CD2-CB 4.28Å; L296-M335 HydrophobicContact CG-CB 4.34Å; M332-M335 HydrophobicContact CB-CE 3.76Å; M332-M335 HydrophobicContact CE-CE 3.95Å; M332-M335 HydrophobicContact CE-CG 4.19Å; M332-M335 HydrophobicContact CE-SD 4.18Å; M332-M335 HydrophobicContact CG-CE 4.29Å; M332-M335 HydrophobicContact SD-CE 3.73Å; M335-T338 PolarHBondContact O-N 2.88Å; M335-E339 PolarHBondContact O-N 3.3Å
336	A	93.3	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-43.6	-178.5	0	0	0	0	0	112.8	L255 Y292 L296 L333 E339 A340	L255-A336 HydrophobicContact CD1-CB 4.11Å; L255-A336 HydrophobicContact CD2-CB 4.22Å; Y292-A336 HydrophobicContact CD1-CB 3.82Å; Y292-A336 HydrophobicContact CD2-CB 4.44Å; Y292-A336 HydrophobicContact CG-CB 3.78Å; L296-A336 HydrophobicContact CD2-CB 3.82Å; L333-A336 HydrophobicContact CD1-CB 4.46Å; L333-A336 PolarHBondContact O-N 3.02Å; A336-E339 PolarHBondContact O-N 2.97Å; A336-A340 WeakPolarHBondContact O-CB 3.48Å; A336-A340 PolarHBondContact O-N 3.08Å
337	L	94.6	Very high	91.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-43.2	173.9	-73.5	172.2	0	0	0	111.6	L255 L333 E339 A340 F341 I360 Y371 I374 F375 M405	L255-L337 HydrophobicContact CD1-CD2 4.01Å; L255-L337 HydrophobicContact CD1-CG 4.47Å; L333-L337 HydrophobicContact CD1-CD1 4.23Å; L333-L337 HydrophobicContact CD1-CD2 4.43Å; L333-L337 HydrophobicContact CD1-CG 3.87Å; L333-L337 HydrophobicContact CD2-CD1 4.49Å; L333-L337 HydrophobicContact CG-CD1 3.91Å; L333-L337 HydrophobicContact CG-CG 4.09Å; L333-L337 WeakPolarHBondContact O-CB 3.2Å; L333-L337 WeakPolarHBondContact O-CG 3.39Å; L333-L337 PolarHBondContact O-N 2.96Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.26Å; L337-A340 PolarHBondContact O-N 2.91Å; L337-F341 WeakPolarHBondContact O-CD2 3.37Å; L337-F341 PolarHBondContact O-N 2.54Å; L337-I360 HydrophobicContact CD2-CG2 4.49Å; L337-Y371 HydrophobicContact CD1-CD2 4.47Å; L337-Y371 HydrophobicContact CD1-CG 4.21Å; L337-I374 HydrophobicContact CB-CD1 4.32Å; L337-I374 HydrophobicContact CB-CG2 4.3Å; L337-I374 HydrophobicContact CD1-CD1 4.48Å; L337-F375 HydrophobicContact CD1-CE1 4.45Å; L337-F375 HydrophobicContact CD1-CZ 4.12Å; L337-M405 HydrophobicContact CD1-CE 3.9Å
338	T	94.4	Very high	91.1	Very high	41 Å²	41	40.1 Å²	40.1	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-44.2	179.1	-62.7	0	0	0	0	111.4	D334 M335 F341 N342 Y378	D334-T338 WeakPolarHBondContact O-CB 3.44Å; D334-T338 PolarHBondContact O-N 2.84Å; D334-T338 VanDerWaalsContact O-N 3.12Å; D334-T338 PolarHBondContact O-OG1 3.36Å; M335-T338 PolarHBondContact O-N 2.88Å; T338-F341 PolarHBondContact O-N 2.03Å; T338-N342 PolarHBondContact O-N 3.06Å; T338-N342 VanDerWaalsContact O-N 3.08Å; T338-N342 PolarHBondContact O-ND2 2.79Å; T338-Y378 HydrophobicContact CG2-CE2 4.22Å
339	E	94.3	Very high	90.9	Very high	53 Å²	53	43.3 Å²	43.3	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-70	-39.9	178.5	-171.1	52.7	-151	0	0	112.6	I290 L296 Y298 M335 A336 L337 F341 N342 L343	I290-E339 HydrophobicContact CD1-CG 4.47Å; L296-E339 HydrophobicContact CD1-CB 3.73Å; L296-E339 HydrophobicContact CD1-CG 4.16Å; Y298-E339 PolarHBondContact OH-OE1 2.69Å; M335-E339 PolarHBondContact O-N 3.3Å; A336-E339 PolarHBondContact O-N 2.97Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.26Å; E339-F341 VanDerWaalsContact C-N 3.32Å; E339-F341 PolarHBondContact O-N 2.71Å; E339-N342 PolarHBondContact O-N 2.7Å; E339-N342 PolarHBondContact OE2-ND2 2.94Å; E339-L343 WeakPolarHBondContact O-CB 3.49Å; E339-L343 PolarHBondContact O-N 2.92Å
340	A	95.3	Very high	90.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-42	174.4	0	0	0	0	0	112.6	V253 L255 A336 L337 L344 I360	V253-A340 HydrophobicContact CB-CB 4.2Å; V253-A340 HydrophobicContact CG1-CB 3.81Å; L255-A340 HydrophobicContact CD1-CB 4.29Å; L255-A340 HydrophobicContact CD2-CB 4.26Å; A336-A340 WeakPolarHBondContact O-CB 3.48Å; A336-A340 PolarHBondContact O-N 3.08Å; L337-A340 PolarHBondContact O-N 2.91Å; A340-L344 WeakPolarHBondContact O-CB 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.45Å; A340-L344 PolarHBondContact O-N 2.92Å; A340-I360 HydrophobicContact CB-CD1 3.8Å; A340-I360 HydrophobicContact CB-CG1 4.16Å
341	F	94.9	Very high	90.2	Very high	11 Å²	11	40.9 Å²	40.9	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-38.5	175.9	-76.8	-61.4	0	0	0	113.1	L337 T338 E339 G345 I360 I374 F375 Y378 N379 V385 I387	L337-F341 WeakPolarHBondContact O-CD2 3.37Å; L337-F341 PolarHBondContact O-N 2.54Å; T338-F341 PolarHBondContact O-N 2.03Å; E339-F341 VanDerWaalsContact C-N 3.32Å; E339-F341 PolarHBondContact O-N 2.71Å; F341-G345 PolarHBondContact O-N 3.03Å; F341-I360 HydrophobicContact CD1-CD1 4.03Å; F341-I360 HydrophobicContact CD2-CD1 4.41Å; F341-I360 HydrophobicContact CE1-CD1 3.79Å; F341-I360 HydrophobicContact CE2-CD1 4.17Å; F341-I360 HydrophobicContact CG-CD1 4.32Å; F341-I360 HydrophobicContact CZ-CD1 3.85Å; F341-I374 HydrophobicContact CD2-CG2 3.95Å; F341-I374 HydrophobicContact CE2-CG2 3.95Å; F341-F375 AromaticContact CE2-CD1 3.89Å; F341-F375 HydrophobicContact CE2-CD1 3.89Å; F341-F375 AromaticContact CE2-CE1 3.85Å; F341-F375 HydrophobicContact CE2-CE1 3.85Å; F341-F375 AromaticContact CZ-CD1 3.79Å; F341-F375 HydrophobicContact CZ-CD1 3.79Å; F341-F375 AromaticContact CZ-CE1 3.89Å; F341-F375 HydrophobicContact CZ-CE1 3.89Å; F341-Y378 HydrophobicContact CB-CD1 3.67Å; F341-Y378 HydrophobicContact CB-CD2 4.42Å; F341-Y378 HydrophobicContact CB-CE1 4.22Å; F341-Y378 HydrophobicContact CB-CG 3.77Å; F341-Y378 HydrophobicContact CD2-CD2 4.35Å; F341-Y378 HydrophobicContact CD2-CG 4.16Å; F341-Y378 HydrophobicContact CG-CD1 4.36Å; F341-Y378 HydrophobicContact CG-CG 4Å; F341-N379 HydrophobicContact CE1-CB 4.01Å; F341-N379 HydrophobicContact CZ-CB 4.22Å; F341-V385 HydrophobicContact CD1-CG2 4.28Å; F341-V385 HydrophobicContact CE1-CB 3.92Å; F341-V385 HydrophobicContact CE1-CG1 4Å; F341-V385 HydrophobicContact CE1-CG2 4.11Å; F341-I387 HydrophobicContact CZ-CD1 4.17Å
342	N	93.6	Very high	89.8	Confident	53 Å²	53	46.9 Å²	46.9	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-50.2	174.4	-65.2	-27.2	0	0	0	110.4	T338 E339 G345 D346 Y378	T338-N342 PolarHBondContact O-N 3.06Å; T338-N342 VanDerWaalsContact O-N 3.08Å; T338-N342 PolarHBondContact O-ND2 2.79Å; E339-N342 PolarHBondContact O-N 2.7Å; E339-N342 PolarHBondContact OE2-ND2 2.94Å; N342-G345 PolarHBondContact O-N 2.88Å; N342-D346 PolarHBondContact O-N 3.35Å; N342-Y378 WeakPolarHBondContact OD1-CE1 3.46Å; N342-Y378 PolarHBondContact OD1-OH 2.95Å
343	L	92.9	Very high	89.4	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-49.7	-178.9	-178.8	59.2	0	0	0	112.5	V253 I290 Y298 G305 L307 E339 G345 D346 F347	V253-L343 HydrophobicContact CG2-CD2 4.07Å; I290-L343 HydrophobicContact CD1-CD2 4.49Å; Y298-L343 HydrophobicContact CE1-CD2 4.41Å; G305-L343 WeakPolarHBondContact O-CD1 3.45Å; L307-L343 HydrophobicContact CD2-CD2 3.75Å; L307-L343 HydrophobicContact CD2-CG 4.04Å; L307-L343 HydrophobicContact CG-CG 4.42Å; E339-L343 WeakPolarHBondContact O-CB 3.49Å; E339-L343 PolarHBondContact O-N 2.92Å; L343-G345 VanDerWaalsContact C-N 3.33Å; L343-G345 PolarHBondContact O-N 2.79Å; L343-D346 PolarHBondContact O-N 2.9Å; L343-F347 HydrophobicContact CD1-CD2 4.01Å; L343-F347 HydrophobicContact CD1-CE2 4.1Å; L343-F347 PolarHBondContact O-N 3.19Å
344	L	92.5	Very high	89	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-37.8	176.1	-73.6	171.6	0	0	0	112.2	D251 V253 L307 A340 N348 Q358 I360 V385	D251-L344 HydrophobicContact CB-CD2 3.88Å; V253-L344 HydrophobicContact CG2-CD1 4.15Å; V253-L344 HydrophobicContact CG2-CD2 3.99Å; V253-L344 HydrophobicContact CG2-CG 3.76Å; L307-L344 HydrophobicContact CD1-CD2 4.38Å; A340-L344 WeakPolarHBondContact O-CB 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.45Å; A340-L344 PolarHBondContact O-N 2.92Å; L344-N348 WeakPolarHBondContact O-CB 3.43Å; L344-N348 PolarHBondContact O-N 2.86Å; L344-N348 VanDerWaalsContact O-N 3.14Å; L344-Q358 HydrophobicContact CD2-CB 4.35Å; L344-Q358 PolarHBondContact O-NE2 3.49Å; L344-I360 HydrophobicContact CD1-CD1 4.17Å; L344-I360 HydrophobicContact CD1-CG1 3.69Å; L344-V385 HydrophobicContact CD1-CG1 3.87Å; L344-V385 HydrophobicContact CD1-CG2 4.45Å
345	G	90.1	Very high	88.7	Confident	24 Å²	24	45.9 Å²	45.9	25%	0.247	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-38.4	177.6	0	0	0	0	0	113.2	F341 N342 L343 K349	F341-G345 PolarHBondContact O-N 3.03Å; N342-G345 PolarHBondContact O-N 2.88Å; L343-G345 VanDerWaalsContact C-N 3.33Å; L343-G345 PolarHBondContact O-N 2.79Å; G345-K349 WeakPolarHBondContact O-CE 3.48Å; G345-K349 VanDerWaalsContact O-CG 3.27Å; G345-K349 WeakPolarHBondContact O-CG 3.35Å; G345-K349 PolarHBondContact O-N 3.26Å
346	D	89.3	Confident	88.5	Confident	82 Å²	82	43.5 Å²	43.5	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-79.4	-32.2	179.5	-73.4	-11.7	0	0	0	112.6	N342 L343 N348 K349 T350	N342-D346 PolarHBondContact O-N 3.35Å; L343-D346 PolarHBondContact O-N 2.9Å; D346-N348 VanDerWaalsContact C-N 3.34Å; D346-K349 PolarHBondContact O-N 2.78Å; D346-K349 IonicContact OD1-NZ 3.57Å; D346-K349 PolarHBondContact OD1-NZ 3.39Å; D346-T350 WeakPolarHBondContact O-CB 3.32Å; D346-T350 WeakPolarHBondContact O-CG2 2.97Å; D346-T350 PolarHBondContact O-N 2.98Å; D346-T350 PolarHBondContact O-OG1 3.06Å
347	F	86.4	Confident	88.4	Confident	12 Å²	12	43.8 Å²	43.8	5%	0.053	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-36.8	170.9	-96.1	-107.2	0	0	0	113	T306 L307 L343 T350 G351 R352	T306-F347 HydrophobicContact CG2-CE2 4.42Å; T306-F347 HydrophobicContact CG2-CZ 4.25Å; L307-F347 HydrophobicContact CB-CD1 3.95Å; L307-F347 HydrophobicContact CB-CE1 3.74Å; L307-F347 HydrophobicContact CB-CG 4.5Å; L307-F347 HydrophobicContact CB-CZ 4.16Å; L307-F347 HydrophobicContact CD1-CB 4.23Å; L307-F347 HydrophobicContact CD1-CD1 3.86Å; L307-F347 HydrophobicContact CD1-CG 3.91Å; L307-F347 HydrophobicContact CG-CD1 3.95Å; L307-F347 HydrophobicContact CG-CD2 4.26Å; L307-F347 HydrophobicContact CG-CE1 4.16Å; L307-F347 HydrophobicContact CG-CE2 4.49Å; L307-F347 HydrophobicContact CG-CG 4.03Å; L307-F347 HydrophobicContact CG-CZ 4.45Å; L343-F347 HydrophobicContact CD1-CD2 4.01Å; L343-F347 HydrophobicContact CD1-CE2 4.1Å; L343-F347 PolarHBondContact O-N 3.19Å; F347-T350 PolarHBondContact O-OG1 3.16Å; F347-G351 PolarHBondContact O-N 3.18Å; F347-R352 HydrophobicContact CD1-CB 4.08Å; F347-R352 HydrophobicContact CE1-CB 3.95Å; F347-R352 PolarHBondContact O-N 2.87Å
348	N	85.3	Confident	88.4	Confident	82 Å²	82	44.6 Å²	44.6	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-47.3	174.1	-164.6	-18.5	0	0	0	111.3	L344 D346 T350 G351 Q358	L344-N348 WeakPolarHBondContact O-CB 3.43Å; L344-N348 PolarHBondContact O-N 2.86Å; L344-N348 VanDerWaalsContact O-N 3.14Å; D346-N348 VanDerWaalsContact C-N 3.34Å; N348-T350 PolarHBondContact O-N 3.38Å; N348-G351 PolarHBondContact O-N 2.98Å; N348-Q358 PolarHBondContact ND2-OE1 3.17Å
349	K	85.6	Confident	88.4	Confident	161 Å²	161	42.7 Å²	42.7	70%	0.7	22%	0.219	S	C	*	.	H	α-helix	trans	-64.4	-36.6	177.5	-68.4	166.2	-153.8	156	0	114.1	G345 D346 G351	G345-K349 WeakPolarHBondContact O-CE 3.48Å; G345-K349 VanDerWaalsContact O-CG 3.27Å; G345-K349 WeakPolarHBondContact O-CG 3.35Å; G345-K349 PolarHBondContact O-N 3.26Å; D346-K349 PolarHBondContact O-N 2.78Å; D346-K349 IonicContact OD1-NZ 3.57Å; D346-K349 PolarHBondContact OD1-NZ 3.39Å; K349-G351 VanDerWaalsContact C-N 3.3Å
350	T	83.3	Confident	88.5	Confident	78 Å²	78	40.1 Å²	40.1	48%	0.479	21%	0.208	S	C	.	.	H	α-helix	trans	-81.5	-10.8	-177.8	52	0	0	0	0	113.2	D346 F347 N348 R352	D346-T350 WeakPolarHBondContact O-CB 3.32Å; D346-T350 WeakPolarHBondContact O-CG2 2.97Å; D346-T350 PolarHBondContact O-N 2.98Å; D346-T350 PolarHBondContact O-OG1 3.06Å; F347-T350 PolarHBondContact O-OG1 3.16Å; N348-T350 PolarHBondContact O-N 3.38Å; T350-R352 PolarHBondContact O-N 3Å
351	G	79.5	Confident	88.6	Confident	27 Å²	27	40.1 Å²	40.1	28%	0.278	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	31	-177.3	0	0	0	0	0	113.3	F347 N348 K349 E355 R1040	F347-G351 PolarHBondContact O-N 3.18Å; N348-G351 PolarHBondContact O-N 2.98Å; K349-G351 VanDerWaalsContact C-N 3.3Å; G351-E355 WeakPolarHBondContact CA-OE1 3.43Å; G351-R1040 PolarHBondContact O-NH2 3.35Å
352	R	77.6	Confident	88.6	Confident	154 Å²	154	39.6 Å²	39.6	58%	0.581	21%	0.205	S	C	*	.			trans	-96.7	-24.2	-179.7	-71.9	-178.6	175.5	177.3	-3.1	113.9	F347 T350	F347-R352 HydrophobicContact CD1-CB 4.08Å; F347-R352 HydrophobicContact CE1-CB 3.95Å; F347-R352 PolarHBondContact O-N 2.87Å; T350-R352 PolarHBondContact O-N 3Å
353	G	80.1	Confident	88.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-74.5	-161.9	178.1	0	0	0	0	0	113.7	E355 R1040	G353-E355 PolarHBondContact O-N 3.43Å; G353-R1040 PolarHBondContact O-NE 3.05Å; G353-R1040 PolarHBondContact O-NH2 2.89Å
354	S	83.1	Confident	88.7	Confident	9 Å²	9	36.9 Å²	36.9	6%	0.063	19%	0.191	C	C	.	.			trans	-68.9	-19.4	169.2	61.9	0	0	0	0	113.4	D251 C356	D251-S354 VanDerWaalsContact CG-OG 3.23Å; D251-S354 VanDerWaalsContact OD1-CB 3.23Å; D251-S354 WeakPolarHBondContact OD1-CB 3.46Å; D251-S354 PolarHBondContact OD1-N 2.96Å; D251-S354 PolarHBondContact OD1-OG 3Å; S354-C356 PolarHBondContact O-N 3.4Å; S354-C356 PolarHBondContact OG-N 3Å
355	E	84.9	Confident	88.6	Confident	105 Å²	105	37.8 Å²	37.8	49%	0.491	20%	0.195	S	C	.	.	S	Bend	trans	56.5	19.9	-171	-76.1	174	-150.7	0	0	113.7	G351 G353 R1040	G351-E355 WeakPolarHBondContact CA-OE1 3.43Å; G353-E355 PolarHBondContact O-N 3.43Å; E355-R1040 IonicContact OE1-CZ 3.24Å; E355-R1040 IonicContact OE1-NH1 2.83Å; E355-R1040 PolarHBondContact OE1-NH1 2.82Å; E355-R1040 IonicContact OE1-NH2 3.92Å; E355-R1040 PolarHBondContact OE1-NH2 2.88Å; E355-R1040 IonicContact OE2-CZ 3.49Å; E355-R1040 IonicContact OE2-NH1 3.88Å; E355-R1040 PolarHBondContact OE2-NH1 2.94Å
356	C	88.4	Confident	88.4	Confident	15 Å²	15	37.3 Å²	37.3	10%	0.101	19%	0.191	C	C	.	.	S	Bend	trans	-117.7	-111.3	-172.1	-168	0	0	0	0	112.1	S248 P249 S354 C1044	S248-C356 VanDerWaalsContact CB-SG 3.56Å; P249-C356 HydrophobicContact CB-CB 4.4Å; P249-C356 VanDerWaalsContact O-CB 3.25Å; P249-C356 WeakPolarHBondContact O-CB 3.28Å; P249-C356 PolarHBondContact O-SG 2.85Å; P249-C356 VanDerWaalsContact O-SG 3.41Å; S354-C356 PolarHBondContact O-N 3.4Å; S354-C356 PolarHBondContact OG-N 3Å; C356-C1044 WeakPolarHBondContact CA-SG 3.48Å; C356-C1044 HydrophobicContact CB-CB 4.04Å; C356-C1044 WeakPolarHBondContact CB-SG 3.44Å; C356-C1044 WeakPolarHBondContact SG-CB 3.38Å; C356-C1044 CovalentContact SG-SG 2.03Å; C356-C1044 PolarHBondContact SG-SG 3.36Å
357	S	90.6	Very high	88.1	Confident	7 Å²	7	33.5 Å²	33.5	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.3	179.2	-63.9	0	0	0	0	111.1	P249 K250 D251	P249-S357 PolarHBondContact O-N 3.13Å; P249-S357 VanDerWaalsContact O-N 3.12Å; K250-S357 CarbonylContact C-O 3.52Å; K250-S357 VanDerWaalsContact CA-O 3.27Å; K250-S357 WeakPolarHBondContact CA-O 3.35Å; D251-S357 PolarHBondContact N-O 3.47Å
358	Q	93.4	Very high	87.9	Confident	17 Å²	17	38.9 Å²	38.9	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.9	173.4	-58.7	-161.6	-65.4	0	0	110.3	D251 L344 N348 V385 R386	D251-Q358 HydrophobicContact CB-CG 4.43Å; D251-Q358 WeakPolarHBondContact O-CA 3.27Å; L344-Q358 HydrophobicContact CD2-CB 4.35Å; L344-Q358 PolarHBondContact O-NE2 3.49Å; N348-Q358 PolarHBondContact ND2-OE1 3.17Å; Q358-V385 HydrophobicContact CB-CG2 4.14Å; Q358-V385 WeakPolarHBondContact O-CA 3.47Å; Q358-R386 PolarHBondContact O-N 3.21Å
359	A	94.8	Very high	87.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.3	-176.8	0	0	0	0	0	113	D251 V252 V253 R386 F388	D251-A359 PolarHBondContact O-N 3.03Å; V252-A359 WeakPolarHBondContact CA-O 3.16Å; V253-A359 PolarHBondContact N-O 3.28Å; A359-R386 CarbonylContact C-O 3.6Å; A359-R386 VanDerWaalsContact CA-O 3.29Å; A359-R386 WeakPolarHBondContact CA-O 3.2Å; A359-F388 HydrophobicContact CB-CD2 4.24Å; A359-F388 HydrophobicContact CB-CE2 4.09Å
360	I	96.9	Very high	87.5	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.5	167.6	-61.2	171.1	0	0	0	107.4	V253 L255 L337 A340 F341 L344 V385 R386 I387 F388	V253-I360 WeakPolarHBondContact O-CA 3.28Å; L255-I360 HydrophobicContact CD1-CG2 3.84Å; L255-I360 HydrophobicContact CG-CG2 4.1Å; L337-I360 HydrophobicContact CD2-CG2 4.49Å; A340-I360 HydrophobicContact CB-CD1 3.8Å; A340-I360 HydrophobicContact CB-CG1 4.16Å; F341-I360 HydrophobicContact CD1-CD1 4.03Å; F341-I360 HydrophobicContact CD2-CD1 4.41Å; F341-I360 HydrophobicContact CE1-CD1 3.79Å; F341-I360 HydrophobicContact CE2-CD1 4.17Å; F341-I360 HydrophobicContact CG-CD1 4.32Å; F341-I360 HydrophobicContact CZ-CD1 3.85Å; L344-I360 HydrophobicContact CD1-CD1 4.17Å; L344-I360 HydrophobicContact CD1-CG1 3.69Å; I360-V385 HydrophobicContact CD1-CG1 3.91Å; I360-V385 HydrophobicContact CG1-CG1 3.82Å; I360-R386 PolarHBondContact N-O 2.81Å; I360-I387 WeakPolarHBondContact O-CA 3.39Å; I360-F388 PolarHBondContact O-N 3.01Å
361	M	96.5	Very high	87.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.4	175.3	-64.5	-173.3	-176.8	0	0	108.5	V252 V253 I254 L255 I277 F388 Y390 Y429	V252-M361 HydrophobicContact CG1-CE 3.91Å; V252-M361 HydrophobicContact CG1-CG 3.87Å; V252-M361 HydrophobicContact CG1-SD 3.8Å; V252-M361 HydrophobicContact CG2-CE 4.43Å; V253-M361 PolarHBondContact O-N 2.87Å; I254-M361 CarbonylContact C-O 3.53Å; I254-M361 WeakPolarHBondContact CA-O 3.41Å; I254-M361 HydrophobicContact CG1-CB 4.48Å; L255-M361 PolarHBondContact N-O 3.4Å; I277-M361 HydrophobicContact CB-SD 4.45Å; I277-M361 HydrophobicContact CD1-SD 3.98Å; I277-M361 HydrophobicContact CG1-SD 4.16Å; I277-M361 HydrophobicContact CG2-CE 4.39Å; I277-M361 HydrophobicContact CG2-SD 3.43Å; I277-M361 WeakPolarHBondContact CG2-SD 3.39Å; M361-F388 WeakPolarHBondContact CA-O 3.3Å; M361-F388 HydrophobicContact CG-CB 4.3Å; M361-Y390 HydrophobicContact CB-CE2 4.16Å; M361-Y390 HydrophobicContact CG-CE2 4.31Å; M361-Y390 HydrophobicContact SD-CE2 4.45Å; M361-Y429 HydrophobicContact CE-CD1 3.96Å; M361-Y429 HydrophobicContact CE-CD2 4.03Å; M361-Y429 HydrophobicContact CE-CE1 3.81Å; M361-Y429 HydrophobicContact CE-CE2 3.89Å; M361-Y429 HydrophobicContact CE-CG 4.11Å
362	L	95.7	Very high	88.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.4	-174.4	172	60.8	0	0	0	109.9	L255 Y292 L333 T364 F388 P389 Y390 L402 M405	L255-L362 HydrophobicContact CB-CD1 3.93Å; Y292-L362 HydrophobicContact CE1-CD1 3.97Å; L333-L362 HydrophobicContact CD1-CD1 3.55Å; L333-L362 HydrophobicContact CD1-CD2 3.99Å; L333-L362 HydrophobicContact CD1-CG 4.43Å; L333-L362 HydrophobicContact CD2-CD2 3.78Å; L362-T364 HydrophobicContact CD1-CG2 4.23Å; L362-T364 HydrophobicContact CD2-CG2 4.23Å; L362-T364 HydrophobicContact CG-CG2 3.94Å; L362-F388 PolarHBondContact N-O 2.73Å; L362-P389 CarbonylContact O-C 2.8Å; L362-P389 WeakPolarHBondContact O-CA 3.32Å; L362-Y390 PolarHBondContact O-N 2.93Å; L362-L402 HydrophobicContact CD2-CD2 3.94Å; L362-M405 HydrophobicContact CD2-CE 4.29Å
363	V	95.4	Very high	88.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.7	179.7	-176.8	0	0	0	0	108.9	L255 D257 A270 T273 V274 I277 Y390 I392	L255-V363 PolarHBondContact O-N 3.25Å; D257-V363 WeakPolarHBondContact CB-O 3.45Å; D257-V363 PolarHBondContact N-O 3.1Å; A270-V363 HydrophobicContact CB-CG1 3.68Å; T273-V363 HydrophobicContact CG2-CG2 4.32Å; V274-V363 HydrophobicContact CG2-CG2 4.17Å; I277-V363 HydrophobicContact CD1-CG2 4.48Å; V363-Y390 HydrophobicContact CG2-CD2 4.22Å; V363-I392 HydrophobicContact CG1-CD1 3.98Å; V363-I392 HydrophobicContact CG1-CG1 3.72Å
364	T	93.2	Very high	89.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.1	-174.1	-179.8	0	0	0	0	111.4	D257 Y292 L362 G366 Y390 L391 I392 L402	D257-T364 PolarHBondContact OD2-OG1 2.92Å; Y292-T364 WeakPolarHBondContact OH-CB 3.45Å; Y292-T364 PolarHBondContact OH-OG1 3.28Å; L362-T364 HydrophobicContact CD1-CG2 4.23Å; L362-T364 HydrophobicContact CD2-CG2 4.23Å; L362-T364 HydrophobicContact CG-CG2 3.94Å; T364-G366 PolarHBondContact OG1-N 2.95Å; T364-G366 PolarHBondContact OG1-O 3.34Å; T364-G366 VanDerWaalsContact OG1-O 3.1Å; T364-Y390 PolarHBondContact N-O 3.06Å; T364-L391 CarbonylContact O-C 3.49Å; T364-L391 WeakPolarHBondContact O-CA 3.48Å; T364-I392 PolarHBondContact O-N 3.41Å; T364-L402 HydrophobicContact CG2-CD1 4.05Å; T364-L402 HydrophobicContact CG2-CD2 3.97Å
365	D	90.3	Very high	89.9	Confident	20 Å²	20	30.4 Å²	30.4	11%	0.107	17%	0.17	C	C	.	.	S	Bend	trans	-90.6	-2.3	169.5	63.5	-2.4	0	0	0	114.1	S261 M262 R266 L391 I392	S261-D365 WeakPolarHBondContact CB-OD2 3.46Å; S261-D365 PolarHBondContact OG-OD1 3.27Å; S261-D365 VanDerWaalsContact OG-OD1 3.13Å; S261-D365 PolarHBondContact OG-OD2 2.82Å; M262-D365 HydrophobicContact SD-CB 3.6Å; M262-D365 VanDerWaalsContact SD-CG 3.51Å; R266-D365 WeakPolarHBondContact CD-OD2 3.44Å; R266-D365 IonicContact CZ-OD2 2.67Å; R266-D365 IonicContact NE-OD2 3.77Å; R266-D365 IonicContact NH1-OD2 3.97Å; R266-D365 PolarHBondContact NH1-OD2 3.49Å; D365-L391 VanDerWaalsContact O-CD1 3.22Å; D365-L391 WeakPolarHBondContact O-CD1 3.42Å; D365-I392 WeakPolarHBondContact CB-O 3.28Å
366	G	86.5	Confident	90.3	Very high	15 Å²	15	31.2 Å²	31.2	16%	0.155	17%	0.174	C	C	.	.			trans	171.4	162.7	169.6	0	0	0	0	0	115.4	T364	T364-G366 PolarHBondContact OG1-N 2.95Å; T364-G366 PolarHBondContact OG1-O 3.34Å; T364-G366 VanDerWaalsContact OG1-O 3.1Å
367	A	82.4	Confident	90.5	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	20%	0.199	C	C	.	.			trans	-120.3	128.9	168.7	0	0	0	0	0	110.8	L333 Y371 F398 N401 L402 M405	L333-A367 HydrophobicContact CD2-CB 4.22Å; A367-Y371 HydrophobicContact CB-CE2 4.34Å; A367-F398 WeakPolarHBondContact O-CD1 3.41Å; A367-N401 HydrophobicContact CB-CB 4.32Å; A367-N401 PolarHBondContact O-ND2 2.63Å; A367-L402 HydrophobicContact CB-CD2 3.51Å; A367-L402 HydrophobicContact CB-CG 4.02Å; A367-M405 HydrophobicContact CB-SD 4.3Å
368	V	82.2	Confident	90.5	Very high	124 Å²	124	40.6 Å²	40.6	75%	0.752	21%	0.211	S	C	*	.	S	Bend	trans	-70.6	-35.3	-179.4	-177.7	0	0	0	0	111.7	N401	V368-N401 PolarHBondContact O-ND2 2.87Å
369	D	83.3	Confident	90.5	Very high	90 Å²	90	40.2 Å²	40.2	48%	0.481	21%	0.209	S	C	.	.	S	Bend	trans	-132.3	175.8	-177.9	-155.7	-14.7	0	0	0	110.8	Y371	D369-Y371 HydrophobicContact CB-CE2 4.26Å; D369-Y371 VanDerWaalsContact O-CD2 3.26Å; D369-Y371 WeakPolarHBondContact O-CD2 3.45Å; D369-Y371 VanDerWaalsContact O-CE2 3.24Å; D369-Y371 WeakPolarHBondContact O-CE2 3.35Å
370	T	80	Confident	90.2	Very high	31 Å²	31	43.3 Å²	43.3	19%	0.19	22%	0.221	C	C	.	.			trans	-93.9	-14.2	-178.1	54.6	0	0	0	0	114	D372 F375 N401 W404	T370-D372 PolarHBondContact O-N 3.06Å; T370-F375 WeakPolarHBondContact O-CE2 3.3Å; T370-N401 HydrophobicContact CG2-CB 4.41Å; T370-W404 HydrophobicContact CG2-CD2 4.29Å; T370-W404 HydrophobicContact CG2-CE3 4.07Å; T370-W404 WeakPolarHBondContact O-CZ3 3.46Å
371	Y	87.9	Confident	89.7	Confident	37 Å²	37	49 Å²	49	15%	0.145	26%	0.258	C	S	.	.			trans	54.8	30.6	174.9	-55.6	-84.5	0	0	0	115.1	L333 D334 L337 A367 D369 T373 I374 F375 M405	L333-Y371 HydrophobicContact CB-CE2 4.29Å; L333-Y371 HydrophobicContact CD2-CD2 4.24Å; L333-Y371 HydrophobicContact CD2-CE2 3.75Å; L333-Y371 HydrophobicContact CG-CE2 4.2Å; D334-Y371 HydrophobicContact CB-CD1 4.1Å; D334-Y371 HydrophobicContact CB-CE1 3.87Å; L337-Y371 HydrophobicContact CD1-CD2 4.47Å; L337-Y371 HydrophobicContact CD1-CG 4.21Å; A367-Y371 HydrophobicContact CB-CE2 4.34Å; D369-Y371 HydrophobicContact CB-CE2 4.26Å; D369-Y371 VanDerWaalsContact O-CD2 3.26Å; D369-Y371 WeakPolarHBondContact O-CD2 3.45Å; D369-Y371 VanDerWaalsContact O-CE2 3.24Å; D369-Y371 WeakPolarHBondContact O-CE2 3.35Å; Y371-T373 VanDerWaalsContact C-N 3.32Å; Y371-T373 PolarHBondContact O-N 3.48Å; Y371-I374 HydrophobicContact CD1-CD1 4.12Å; Y371-I374 WeakPolarHBondContact O-CB 3.34Å; Y371-I374 PolarHBondContact O-N 3.39Å; Y371-F375 WeakPolarHBondContact O-CD2 3.49Å; Y371-F375 PolarHBondContact O-N 3.15Å; Y371-M405 HydrophobicContact CD2-CE 4.15Å; Y371-M405 HydrophobicContact CD2-SD 4.4Å
372	D	88.6	Confident	89.1	Confident	65 Å²	65	54.5 Å²	54.5	35%	0.348	28%	0.283	S	S	.	.	H	α-helix	trans	-48.4	-46.5	178.9	62.4	-16.1	0	0	0	113.9	T370 I374 F375 E376 W404	T370-D372 PolarHBondContact O-N 3.06Å; D372-I374 PolarHBondContact O-N 3.05Å; D372-I374 VanDerWaalsContact O-N 3.15Å; D372-F375 PolarHBondContact O-N 3.41Å; D372-E376 PolarHBondContact O-N 2.71Å; D372-W404 HydrophobicContact CB-CH2 3.85Å; D372-W404 HydrophobicContact CB-CZ3 4.47Å
373	T	91.7	Very high	88.7	Confident	94 Å²	94	58.5 Å²	58.5	58%	0.577	30%	0.299	S	S	*	.	H	α-helix	trans	-56.9	-29.2	178.7	54.9	0	0	0	0	114.2	Y371 K377	Y371-T373 VanDerWaalsContact C-N 3.32Å; Y371-T373 PolarHBondContact O-N 3.48Å; T373-K377 WeakPolarHBondContact O-CB 3.01Å; T373-K377 PolarHBondContact O-N 2.71Å
374	I	92.3	Very high	88.2	Confident	16 Å²	16	64.5 Å²	64.5	8%	0.082	33%	0.325	C	S	.	.	H	α-helix	trans	-75.6	-43.5	175.8	-57.3	-177.3	0	0	0	109.6	D334 L337 F341 Y371 D372 K377 Y378	D334-I374 HydrophobicContact CB-CD1 4.01Å; L337-I374 HydrophobicContact CB-CD1 4.32Å; L337-I374 HydrophobicContact CB-CG2 4.3Å; L337-I374 HydrophobicContact CD1-CD1 4.48Å; F341-I374 HydrophobicContact CD2-CG2 3.95Å; F341-I374 HydrophobicContact CE2-CG2 3.95Å; Y371-I374 HydrophobicContact CD1-CD1 4.12Å; Y371-I374 WeakPolarHBondContact O-CB 3.34Å; Y371-I374 PolarHBondContact O-N 3.39Å; D372-I374 PolarHBondContact O-N 3.05Å; D372-I374 VanDerWaalsContact O-N 3.15Å; I374-K377 PolarHBondContact O-N 3.38Å; I374-Y378 HydrophobicContact CG2-CD2 3.92Å; I374-Y378 HydrophobicContact CG2-CE2 4.46Å; I374-Y378 WeakPolarHBondContact O-CD2 3.02Å; I374-Y378 PolarHBondContact O-N 3.25Å
375	F	93.6	Very high	88.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-37.9	179.1	-55.9	-47.9	0	0	0	112.7	L337 F341 T370 Y371 D372 K377 N379 W380 I387 W404 M405	L337-F375 HydrophobicContact CD1-CE1 4.45Å; L337-F375 HydrophobicContact CD1-CZ 4.12Å; F341-F375 AromaticContact CE2-CD1 3.89Å; F341-F375 HydrophobicContact CE2-CD1 3.89Å; F341-F375 AromaticContact CE2-CE1 3.85Å; F341-F375 HydrophobicContact CE2-CE1 3.85Å; F341-F375 AromaticContact CZ-CD1 3.79Å; F341-F375 HydrophobicContact CZ-CD1 3.79Å; F341-F375 AromaticContact CZ-CE1 3.89Å; F341-F375 HydrophobicContact CZ-CE1 3.89Å; T370-F375 WeakPolarHBondContact O-CE2 3.3Å; Y371-F375 WeakPolarHBondContact O-CD2 3.49Å; Y371-F375 PolarHBondContact O-N 3.15Å; D372-F375 PolarHBondContact O-N 3.41Å; F375-K377 VanDerWaalsContact C-N 3.28Å; F375-K377 PolarHBondContact O-N 3.22Å; F375-N379 PolarHBondContact O-N 2.9Å; F375-W380 HydrophobicContact CB-CD2 4.28Å; F375-W380 HydrophobicContact CB-CZ2 3.82Å; F375-W380 PolarHBondContact O-N 3.28Å; F375-I387 HydrophobicContact CD1-CD1 3.82Å; F375-I387 HydrophobicContact CE1-CD1 3.15Å; F375-I387 HydrophobicContact CZ-CD1 3.7Å; F375-W404 HydrophobicContact CD2-CZ3 4.24Å; F375-W404 HydrophobicContact CE2-CZ3 4.41Å; F375-M405 HydrophobicContact CE2-CB 4.35Å; F375-M405 HydrophobicContact CE2-CE 4.14Å; F375-M405 HydrophobicContact CE2-CG 4.03Å; F375-M405 HydrophobicContact CZ-CB 4.5Å; F375-M405 HydrophobicContact CZ-CE 3.71Å; F375-M405 HydrophobicContact CZ-CG 4.39Å
376	E	92.6	Very high	88.3	Confident	122 Å²	122	64.3 Å²	64.3	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-58.6	-38.9	170.9	-75	-167	163.2	0	0	112.6	D372 W380	D372-E376 PolarHBondContact O-N 2.71Å; E376-W380 HydrophobicContact CG-CD2 4.49Å; E376-W380 HydrophobicContact CG-CE3 3.57Å; E376-W380 HydrophobicContact CG-CZ3 3.67Å
377	K	92.9	Very high	88.6	Confident	146 Å²	146	63.6 Å²	63.6	64%	0.635	32%	0.316	S	S	*	.	H	α-helix	trans	-77.5	-39.5	-178.9	-177.9	-175.8	171.1	-152.7	0	113.5	T373 I374 F375	T373-K377 WeakPolarHBondContact O-CB 3.01Å; T373-K377 PolarHBondContact O-N 2.71Å; I374-K377 PolarHBondContact O-N 3.38Å; F375-K377 VanDerWaalsContact C-N 3.28Å; F375-K377 PolarHBondContact O-N 3.22Å
378	Y	91.2	Very high	89.3	Confident	73 Å²	73	63.6 Å²	63.6	29%	0.286	32%	0.316	S	S	.	.	H	α-helix	trans	-110.4	-28.4	-166.7	-75.7	-80.2	0	0	0	115.7	T338 F341 N342 I374	T338-Y378 HydrophobicContact CG2-CE2 4.22Å; F341-Y378 HydrophobicContact CB-CD1 3.67Å; F341-Y378 HydrophobicContact CB-CD2 4.42Å; F341-Y378 HydrophobicContact CB-CE1 4.22Å; F341-Y378 HydrophobicContact CB-CG 3.77Å; F341-Y378 HydrophobicContact CD2-CD2 4.35Å; F341-Y378 HydrophobicContact CD2-CG 4.16Å; F341-Y378 HydrophobicContact CG-CD1 4.36Å; F341-Y378 HydrophobicContact CG-CG 4Å; N342-Y378 WeakPolarHBondContact OD1-CE1 3.46Å; N342-Y378 PolarHBondContact OD1-OH 2.95Å; I374-Y378 HydrophobicContact CG2-CD2 3.92Å; I374-Y378 HydrophobicContact CG2-CE2 4.46Å; I374-Y378 WeakPolarHBondContact O-CD2 3.02Å; I374-Y378 PolarHBondContact O-N 3.25Å
379	N	91.6	Very high	89.8	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.048	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-27.4	-169.7	-160.8	26.6	0	0	0	114.1	F341 F375 E382 R383 K384 V385 N409	F341-N379 HydrophobicContact CE1-CB 4.01Å; F341-N379 HydrophobicContact CZ-CB 4.22Å; F375-N379 PolarHBondContact O-N 2.9Å; N379-E382 PolarHBondContact O-N 3.02Å; N379-R383 WeakPolarHBondContact O-CA 3.45Å; N379-R383 PolarHBondContact O-N 3.43Å; N379-R383 WeakPolarHBondContact OD1-CA 3.35Å; N379-K384 PolarHBondContact OD1-N 3.24Å; N379-K384 VanDerWaalsContact OD1-N 3.1Å; N379-V385 PolarHBondContact ND2-O 3.26Å; N379-V385 PolarHBondContact OD1-N 2.54Å; N379-N409 PolarHBondContact ND2-OD1 3.43Å
380	W	89.9	Confident	90.3	Very high	66 Å²	66	53.6 Å²	53.6	25%	0.25	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	151.1	-177	-63.8	2.4	0	0	0	111.8	F375 E376 W404 A408 N409	F375-W380 HydrophobicContact CB-CD2 4.28Å; F375-W380 HydrophobicContact CB-CZ2 3.82Å; F375-W380 PolarHBondContact O-N 3.28Å; E376-W380 HydrophobicContact CG-CD2 4.49Å; E376-W380 HydrophobicContact CG-CE3 3.57Å; E376-W380 HydrophobicContact CG-CZ3 3.67Å; W380-W404 AromaticContact CH2-CH2 3.88Å; W380-W404 HydrophobicContact CH2-CH2 3.88Å; W380-W404 HydrophobicContact CH2-CZ2 4.29Å; W380-W404 HydrophobicContact CZ2-CH2 4.22Å; W380-A408 HydrophobicContact CZ2-CB 3.86Å; W380-N409 PolarHBondContact NE1-OD1 3.31Å
381	P	86.9	Confident	90.9	Very high	119 Å²	119	52.1 Å²	52.1	77%	0.773	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-11.2	4.4	34.4	-36.6	0	0	0	114.8	R383	P381-R383 PolarHBondContact O-N 2.93Å
382	E	82.2	Confident	91.2	Very high	115 Å²	115	50.5 Å²	50.5	54%	0.537	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.6	-166.3	-59.2	-176.5	137.8	0	0	114.4	N379 K384	N379-E382 PolarHBondContact O-N 3.02Å; E382-K384 HydrophobicContact CB-CD 4.37Å; E382-K384 HydrophobicContact CB-CG 4.1Å; E382-K384 PolarHBondContact O-N 3.11Å; E382-K384 IonicContact OE1-NZ 3.26Å; E382-K384 WeakPolarHBondContact OE2-CD 3.44Å; E382-K384 WeakPolarHBondContact OE2-CE 3.41Å; E382-K384 IonicContact OE2-NZ 3.5Å; E382-K384 PolarHBondContact OE2-NZ 3.09Å
383	R	87.6	Confident	91	Very high	85 Å²	85	47.8 Å²	47.8	32%	0.321	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	47.9	179.4	-59.8	172.7	-177.1	176.8	0.1	112.6	N379 P381 A408 K410	N379-R383 WeakPolarHBondContact O-CA 3.45Å; N379-R383 PolarHBondContact O-N 3.43Å; N379-R383 WeakPolarHBondContact OD1-CA 3.35Å; P381-R383 PolarHBondContact O-N 2.93Å; R383-A408 VanDerWaalsContact CD-O 3.29Å; R383-A408 WeakPolarHBondContact CD-O 3.26Å; R383-A408 PolarHBondContact NE-O 3.44Å; R383-A408 VanDerWaalsContact NE-O 3.13Å; R383-K410 HydrophobicContact CB-CD 4.31Å; R383-K410 HydrophobicContact CB-CG 4.29Å
384	K	85.8	Confident	90.4	Very high	125 Å²	125	52.6 Å²	52.6	54%	0.543	24%	0.238	S	C	.	.			trans	-70.3	-36.9	-178.8	-77.6	173.6	169.6	159.3	0	112.8	N379 E382	N379-K384 PolarHBondContact OD1-N 3.24Å; N379-K384 VanDerWaalsContact OD1-N 3.1Å; E382-K384 HydrophobicContact CB-CD 4.37Å; E382-K384 HydrophobicContact CB-CG 4.1Å; E382-K384 PolarHBondContact O-N 3.11Å; E382-K384 IonicContact OE1-NZ 3.26Å; E382-K384 WeakPolarHBondContact OE2-CD 3.44Å; E382-K384 WeakPolarHBondContact OE2-CE 3.41Å; E382-K384 IonicContact OE2-NZ 3.5Å; E382-K384 PolarHBondContact OE2-NZ 3.09Å
385	V	92.1	Very high	89.4	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.6	177.9	-176.3	0	0	0	0	109.2	F341 L344 Q358 I360 N379	F341-V385 HydrophobicContact CD1-CG2 4.28Å; F341-V385 HydrophobicContact CE1-CB 3.92Å; F341-V385 HydrophobicContact CE1-CG1 4Å; F341-V385 HydrophobicContact CE1-CG2 4.11Å; L344-V385 HydrophobicContact CD1-CG1 3.87Å; L344-V385 HydrophobicContact CD1-CG2 4.45Å; Q358-V385 HydrophobicContact CB-CG2 4.14Å; Q358-V385 WeakPolarHBondContact O-CA 3.47Å; I360-V385 HydrophobicContact CD1-CG1 3.91Å; I360-V385 HydrophobicContact CG1-CG1 3.82Å; N379-V385 PolarHBondContact ND2-O 3.26Å; N379-V385 PolarHBondContact OD1-N 2.54Å
386	R	92.9	Very high	88.2	Confident	8 Å²	8	61.5 Å²	61.5	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143	176	-62.7	174.9	-175.1	-106.9	4.4	110.7	Q358 A359 I360 F388 N409 K410 V432 L433 P436 P1046 E1051	Q358-R386 PolarHBondContact O-N 3.21Å; A359-R386 CarbonylContact C-O 3.6Å; A359-R386 VanDerWaalsContact CA-O 3.29Å; A359-R386 WeakPolarHBondContact CA-O 3.2Å; I360-R386 PolarHBondContact N-O 2.81Å; R386-F388 HydrophobicContact CB-CD2 4.47Å; R386-F388 HydrophobicContact CB-CE2 3.66Å; R386-F388 HydrophobicContact CB-CZ 4.07Å; R386-N409 WeakPolarHBondContact CA-O 3.42Å; R386-K410 PolarHBondContact NH1-O 2.77Å; R386-V432 PolarHBondContact NH1-O 2.88Å; R386-L433 VanDerWaalsContact CD-CD2 3.45Å; R386-P436 VanDerWaalsContact NH2-CG 3.34Å; R386-P1046 PolarHBondContact NH2-O 3.38Å; R386-E1051 IonicContact CZ-OE1 3.29Å; R386-E1051 VanDerWaalsContact CZ-OE1 3.24Å; R386-E1051 IonicContact NH1-OE1 3.73Å; R386-E1051 PolarHBondContact NH1-OE1 3.44Å; R386-E1051 IonicContact NH1-OE2 2.68Å; R386-E1051 IonicContact NH2-OE1 3.18Å; R386-E1051 PolarHBondContact NH2-OE1 3.36Å; R386-E1051 IonicContact NH2-OE2 3.79Å; R386-E1051 PolarHBondContact NH2-OE2 3.38Å
387	I	93.9	Very high	87.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.2	-177.4	-54.7	-175.9	0	0	0	110.7	F341 I360 F375 P389 N409 G411	F341-I387 HydrophobicContact CZ-CD1 4.17Å; I360-I387 WeakPolarHBondContact O-CA 3.39Å; F375-I387 HydrophobicContact CD1-CD1 3.82Å; F375-I387 HydrophobicContact CE1-CD1 3.15Å; F375-I387 HydrophobicContact CZ-CD1 3.7Å; I387-P389 HydrophobicContact CG2-CG 4.23Å; I387-P389 WeakPolarHBondContact O-CD 3.37Å; I387-N409 HydrophobicContact CB-CB 4.1Å; I387-N409 HydrophobicContact CD1-CB 3.75Å; I387-N409 HydrophobicContact CG1-CB 3.73Å; I387-G411 VanDerWaalsContact O-CA 3.32Å; I387-G411 WeakPolarHBondContact O-CA 3.36Å
388	F	95.3	Very high	86	Confident	1 Å²	1	57.4 Å²	57.4	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	94.7	-177.5	-62.2	-81.4	0	0	0	110.8	A359 I360 M361 L362 R386 Y390 V432 L433	A359-F388 HydrophobicContact CB-CD2 4.24Å; A359-F388 HydrophobicContact CB-CE2 4.09Å; I360-F388 PolarHBondContact O-N 3.01Å; M361-F388 WeakPolarHBondContact CA-O 3.3Å; M361-F388 HydrophobicContact CG-CB 4.3Å; L362-F388 PolarHBondContact N-O 2.73Å; R386-F388 HydrophobicContact CB-CD2 4.47Å; R386-F388 HydrophobicContact CB-CE2 3.66Å; R386-F388 HydrophobicContact CB-CZ 4.07Å; F388-Y390 HydrophobicContact CB-CE2 4.06Å; F388-Y390 WeakPolarHBondContact O-CD2 3.3Å; F388-V432 HydrophobicContact CE1-CB 4.13Å; F388-V432 HydrophobicContact CE1-CG1 4.13Å; F388-V432 HydrophobicContact CZ-CB 4.46Å; F388-V432 HydrophobicContact CZ-CG1 4.27Å; F388-L433 HydrophobicContact CE2-CD2 4.31Å; F388-L433 HydrophobicContact CZ-CD2 4.09Å; F388-L433 HydrophobicContact CZ-CG 4.4Å
389	P	94.2	Very high	85.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.3	175.1	-13.9	32.7	0	0	0	111.9	L362 I387 L402 A406 Y412 F413 T414	L362-P389 CarbonylContact O-C 2.8Å; L362-P389 WeakPolarHBondContact O-CA 3.32Å; I387-P389 HydrophobicContact CG2-CG 4.23Å; I387-P389 WeakPolarHBondContact O-CD 3.37Å; P389-L402 HydrophobicContact CB-CB 3.97Å; P389-L402 HydrophobicContact CB-CD2 4.14Å; P389-L402 HydrophobicContact CB-CG 4.5Å; P389-L402 WeakPolarHBondContact CG-O 3.37Å; P389-A406 HydrophobicContact CG-CB 4.08Å; P389-Y412 WeakPolarHBondContact CD-O 3.23Å; P389-F413 HydrophobicContact CB-CD2 4.4Å; P389-T414 PolarHBondContact O-N 3.46Å; P389-T414 VanDerWaalsContact O-N 3.14Å
390	Y	93.9	Very high	85.5	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	102.7	172.6	-63.2	-85	0	0	0	108.3	T273 I277 M361 L362 V363 T364 F388 I392 T414 I416 V426 Y429	T273-Y390 HydrophobicContact CG2-CD1 4.3Å; T273-Y390 HydrophobicContact CG2-CG 4.27Å; I277-Y390 HydrophobicContact CD1-CD2 4.28Å; I277-Y390 HydrophobicContact CD1-CE2 3.88Å; M361-Y390 HydrophobicContact CB-CE2 4.16Å; M361-Y390 HydrophobicContact CG-CE2 4.31Å; M361-Y390 HydrophobicContact SD-CE2 4.45Å; L362-Y390 PolarHBondContact O-N 2.93Å; V363-Y390 HydrophobicContact CG2-CD2 4.22Å; T364-Y390 PolarHBondContact N-O 3.06Å; F388-Y390 HydrophobicContact CB-CE2 4.06Å; F388-Y390 WeakPolarHBondContact O-CD2 3.3Å; Y390-I392 PolarHBondContact O-N 3.48Å; Y390-T414 WeakPolarHBondContact CD1-OG1 3.27Å; Y390-T414 WeakPolarHBondContact CE1-OG1 3.17Å; Y390-I416 HydrophobicContact CD1-CD1 3.94Å; Y390-V426 HydrophobicContact CE1-CG2 4.12Å; Y390-Y429 WeakPolarHBondContact OH-CD1 3.43Å
391	L	92.9	Very high	85.5	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.9	175.9	174.4	62.5	0	0	0	109.9	T364 D365 A399 L402 F413 T414 Q415 I416	T364-L391 CarbonylContact O-C 3.49Å; T364-L391 WeakPolarHBondContact O-CA 3.48Å; D365-L391 VanDerWaalsContact O-CD1 3.22Å; D365-L391 WeakPolarHBondContact O-CD1 3.42Å; L391-A399 HydrophobicContact CD2-CB 3.7Å; L391-L402 HydrophobicContact CB-CD1 4.05Å; L391-L402 HydrophobicContact CD1-CD1 3.89Å; L391-L402 HydrophobicContact CG-CD1 4.47Å; L391-F413 HydrophobicContact CB-CE2 3.85Å; L391-F413 HydrophobicContact CB-CZ 4.03Å; L391-F413 HydrophobicContact CD2-CE2 4.36Å; L391-F413 HydrophobicContact CD2-CZ 3.95Å; L391-T414 PolarHBondContact N-O 3Å; L391-Q415 HydrophobicContact CB-CB 4.42Å; L391-Q415 HydrophobicContact CB-CG 4.34Å; L391-Q415 HydrophobicContact CD2-CG 4.03Å; L391-Q415 HydrophobicContact CG-CG 4.19Å; L391-Q415 WeakPolarHBondContact O-CA 3.29Å; L391-I416 PolarHBondContact O-N 3.08Å
392	I	92.3	Very high	85.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.4	-179	-55.2	-51.7	0	0	0	110.9	M262 R266 I269 A270 V363 T364 D365 Y390 I416	M262-I392 HydrophobicContact CE-CB 4.4Å; M262-I392 HydrophobicContact CE-CG1 4.41Å; R266-I392 HydrophobicContact CB-CG2 4.13Å; R266-I392 HydrophobicContact CG-CG2 4.44Å; R266-I392 WeakPolarHBondContact O-CG2 3.3Å; I269-I392 HydrophobicContact CB-CG2 3.97Å; I269-I392 HydrophobicContact CG2-CD1 4.2Å; I269-I392 HydrophobicContact CG2-CG2 3.96Å; A270-I392 HydrophobicContact CB-CG1 4.44Å; V363-I392 HydrophobicContact CG1-CD1 3.98Å; V363-I392 HydrophobicContact CG1-CG1 3.72Å; T364-I392 PolarHBondContact O-N 3.41Å; D365-I392 WeakPolarHBondContact CB-O 3.28Å; Y390-I392 PolarHBondContact O-N 3.48Å; I392-I416 HydrophobicContact CD1-CB 4.07Å; I392-I416 HydrophobicContact CD1-CD1 4.3Å
393	G	85.8	Confident	86	Confident	9 Å²	9	51.2 Å²	51.2	9%	0.093	26%	0.256	C	S	.	.	S	Bend	trans	114.5	177.6	175.2	0	0	0	0	0	114.4	Q415 I416	G393-Q415 PolarHBondContact O-NE2 2.79Å; G393-I416 PolarHBondContact N-O 3.46Å
394	R	79.3	Confident	86.1	Confident	195 Å²	195	52 Å²	52	74%	0.736	26%	0.259	S	S	*	.	S	Bend	trans	-88.6	-12.4	-173.6	-63.6	178.8	-178.3	-176.9	-2.3	114
395	E	71.4	Confident	86.4	Confident	123 Å²	123	46 Å²	46	58%	0.575	23%	0.233	S	C	*	.			trans	-80.6	121.1	-177.5	-77	156.8	-140.4	0	0	110.1	R266	R266-E395 IonicContact CZ-OE2 2.74Å; R266-E395 IonicContact NH1-OE2 2.87Å; R266-E395 IonicContact NH2-OE1 3.68Å; R266-E395 PolarHBondContact NH2-OE1 3.23Å; R266-E395 IonicContact NH2-OE2 3.9Å; R266-E395 PolarHBondContact NH2-OE2 3.02Å
396	S	67.5	Low	86.3	Confident	80 Å²	80	45.6 Å²	45.6	56%	0.559	23%	0.231	S	C	*	.			trans	-95	2.3	-176	56	0	0	0	0	114.4	F398 A399	S396-F398 PolarHBondContact O-N 3.06Å; S396-A399 VanDerWaalsContact O-CB 3.27Å; S396-A399 WeakPolarHBondContact O-CB 3.4Å; S396-A399 PolarHBondContact O-N 3.18Å
397	A	68.7	Low	86.2	Confident	84 Å²	84	46.9 Å²	46.9	69%	0.694	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.2	-169.7	0	0	0	0	0	114.6
398	F	71.4	Confident	86	Confident	97 Å²	97	47.5 Å²	47.5	43%	0.425	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	11.2	179.3	-54.8	-69.2	0	0	0	113.3	A367 S396 D400	A367-F398 WeakPolarHBondContact O-CD1 3.41Å; S396-F398 PolarHBondContact O-N 3.06Å; F398-D400 PolarHBondContact O-N 3.31Å
399	A	83.6	Confident	85.8	Confident	12 Å²	12	47.4 Å²	47.4	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-38	-177.7	0	0	0	0	0	112.6	L391 S396 N401 L402 K403 F413	L391-A399 HydrophobicContact CD2-CB 3.7Å; S396-A399 VanDerWaalsContact O-CB 3.27Å; S396-A399 WeakPolarHBondContact O-CB 3.4Å; S396-A399 PolarHBondContact O-N 3.18Å; A399-N401 PolarHBondContact O-N 2.79Å; A399-L402 PolarHBondContact O-N 3.09Å; A399-K403 VanDerWaalsContact O-CB 3.26Å; A399-K403 WeakPolarHBondContact O-CB 3.5Å; A399-K403 PolarHBondContact O-N 3.42Å; A399-F413 HydrophobicContact CB-CZ 3.86Å
400	D	87.8	Confident	85.6	Confident	127 Å²	127	48.3 Å²	48.3	68%	0.679	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-37.5	-176.4	-70.4	-37.3	0	0	0	112.7	F398 K403 W404	F398-D400 PolarHBondContact O-N 3.31Å; D400-K403 PolarHBondContact O-N 3.11Å; D400-W404 WeakPolarHBondContact O-CB 3.39Å; D400-W404 PolarHBondContact O-N 3.44Å
401	N	90.1	Very high	85.4	Confident	42 Å²	42	48.1 Å²	48.1	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-51.7	175.5	-71.6	-10.7	0	0	0	110.9	A367 V368 T370 A399 K403 W404 M405	A367-N401 HydrophobicContact CB-CB 4.32Å; A367-N401 PolarHBondContact O-ND2 2.63Å; V368-N401 PolarHBondContact O-ND2 2.87Å; T370-N401 HydrophobicContact CG2-CB 4.41Å; A399-N401 PolarHBondContact O-N 2.79Å; N401-K403 VanDerWaalsContact C-N 3.33Å; N401-K403 PolarHBondContact O-N 3.18Å; N401-W404 WeakPolarHBondContact O-CB 3.45Å; N401-W404 PolarHBondContact O-N 2.93Å; N401-M405 VanDerWaalsContact O-CG 3.31Å; N401-M405 WeakPolarHBondContact O-CG 3.22Å; N401-M405 PolarHBondContact O-N 3.33Å
402	L	89.8	Confident	85.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-42.8	177.3	-66	175.5	0	0	0	111.5	L362 T364 A367 P389 L391 A399 W404 M405 A406 F413	L362-L402 HydrophobicContact CD2-CD2 3.94Å; T364-L402 HydrophobicContact CG2-CD1 4.05Å; T364-L402 HydrophobicContact CG2-CD2 3.97Å; A367-L402 HydrophobicContact CB-CD2 3.51Å; A367-L402 HydrophobicContact CB-CG 4.02Å; P389-L402 HydrophobicContact CB-CB 3.97Å; P389-L402 HydrophobicContact CB-CD2 4.14Å; P389-L402 HydrophobicContact CB-CG 4.5Å; P389-L402 WeakPolarHBondContact CG-O 3.37Å; L391-L402 HydrophobicContact CB-CD1 4.05Å; L391-L402 HydrophobicContact CD1-CD1 3.89Å; L391-L402 HydrophobicContact CG-CD1 4.47Å; A399-L402 PolarHBondContact O-N 3.09Å; L402-W404 VanDerWaalsContact C-N 3.34Å; L402-W404 PolarHBondContact O-N 3.48Å; L402-M405 HydrophobicContact CD2-SD 4.13Å; L402-M405 WeakPolarHBondContact O-CB 3.39Å; L402-M405 PolarHBondContact O-N 2.88Å; L402-A406 PolarHBondContact O-N 3.07Å; L402-A406 VanDerWaalsContact O-N 3.09Å; L402-F413 HydrophobicContact CB-CD2 3.86Å; L402-F413 HydrophobicContact CB-CE2 3.76Å; L402-F413 HydrophobicContact CD1-CE2 4.37Å
403	K	89.6	Confident	85.4	Confident	71 Å²	71	50.8 Å²	50.8	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175.8	-172.4	178.1	-177.2	178.6	0	111.6	A399 D400 N401 M405 A406 C407 F413	A399-K403 VanDerWaalsContact O-CB 3.26Å; A399-K403 WeakPolarHBondContact O-CB 3.5Å; A399-K403 PolarHBondContact O-N 3.42Å; D400-K403 PolarHBondContact O-N 3.11Å; N401-K403 VanDerWaalsContact C-N 3.33Å; N401-K403 PolarHBondContact O-N 3.18Å; K403-M405 PolarHBondContact O-N 2.98Å; K403-A406 WeakPolarHBondContact O-CB 3.31Å; K403-A406 PolarHBondContact O-N 3.29Å; K403-C407 PolarHBondContact O-N 3.09Å; K403-C407 PolarHBondContact O-SG 3.29Å; K403-F413 HydrophobicContact CB-CB 4.21Å; K403-F413 HydrophobicContact CB-CD1 4.15Å; K403-F413 HydrophobicContact CB-CD2 4.19Å; K403-F413 HydrophobicContact CB-CG 3.9Å; K403-F413 HydrophobicContact CD-CD1 4.48Å; K403-F413 HydrophobicContact CG-CB 4.18Å; K403-F413 HydrophobicContact CG-CD1 4.23Å; K403-F413 HydrophobicContact CG-CG 4.21Å
404	W	89.9	Confident	85.7	Confident	101 Å²	101	50.8 Å²	50.8	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-45.2	175.1	-177.7	95.8	0	0	0	111.9	T370 D372 F375 W380 D400 N401 L402 A406 C407 A408	T370-W404 HydrophobicContact CG2-CD2 4.29Å; T370-W404 HydrophobicContact CG2-CE3 4.07Å; T370-W404 WeakPolarHBondContact O-CZ3 3.46Å; D372-W404 HydrophobicContact CB-CH2 3.85Å; D372-W404 HydrophobicContact CB-CZ3 4.47Å; F375-W404 HydrophobicContact CD2-CZ3 4.24Å; F375-W404 HydrophobicContact CE2-CZ3 4.41Å; W380-W404 AromaticContact CH2-CH2 3.88Å; W380-W404 HydrophobicContact CH2-CH2 3.88Å; W380-W404 HydrophobicContact CH2-CZ2 4.29Å; W380-W404 HydrophobicContact CZ2-CH2 4.22Å; D400-W404 WeakPolarHBondContact O-CB 3.39Å; D400-W404 PolarHBondContact O-N 3.44Å; N401-W404 WeakPolarHBondContact O-CB 3.45Å; N401-W404 PolarHBondContact O-N 2.93Å; L402-W404 VanDerWaalsContact C-N 3.34Å; L402-W404 PolarHBondContact O-N 3.48Å; W404-A406 VanDerWaalsContact C-N 3.3Å; W404-A406 PolarHBondContact O-N 2.9Å; W404-C407 PolarHBondContact O-N 3.04Å; W404-A408 HydrophobicContact CD2-CB 4.45Å; W404-A408 HydrophobicContact CE3-CB 4.39Å; W404-A408 HydrophobicContact CH2-CB 4.3Å; W404-A408 HydrophobicContact CZ2-CB 4.35Å; W404-A408 HydrophobicContact CZ3-CB 4.31Å; W404-A408 VanDerWaalsContact O-CB 3.32Å; W404-A408 WeakPolarHBondContact O-CB 3.44Å; W404-A408 PolarHBondContact O-N 3.03Å
405	M	91.2	Very high	86.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-40.9	177.7	-64.3	166.8	75.4	0	0	112	L333 L337 L362 A367 Y371 F375 N401 L402 K403 N409	L333-M405 HydrophobicContact CD2-CE 4.24Å; L337-M405 HydrophobicContact CD1-CE 3.9Å; L362-M405 HydrophobicContact CD2-CE 4.29Å; A367-M405 HydrophobicContact CB-SD 4.3Å; Y371-M405 HydrophobicContact CD2-CE 4.15Å; Y371-M405 HydrophobicContact CD2-SD 4.4Å; F375-M405 HydrophobicContact CE2-CB 4.35Å; F375-M405 HydrophobicContact CE2-CE 4.14Å; F375-M405 HydrophobicContact CE2-CG 4.03Å; F375-M405 HydrophobicContact CZ-CB 4.5Å; F375-M405 HydrophobicContact CZ-CE 3.71Å; F375-M405 HydrophobicContact CZ-CG 4.39Å; N401-M405 VanDerWaalsContact O-CG 3.31Å; N401-M405 WeakPolarHBondContact O-CG 3.22Å; N401-M405 PolarHBondContact O-N 3.33Å; L402-M405 HydrophobicContact CD2-SD 4.13Å; L402-M405 WeakPolarHBondContact O-CB 3.39Å; L402-M405 PolarHBondContact O-N 2.88Å; K403-M405 PolarHBondContact O-N 2.98Å; M405-N409 PolarHBondContact O-N 2.81Å; M405-N409 PolarHBondContact O-ND2 3.16Å
406	A	91.8	Very high	87.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-51	175.8	0	0	0	0	0	112	P389 L402 K403 W404 A408 N409 K410 G411 F413	P389-A406 HydrophobicContact CG-CB 4.08Å; L402-A406 PolarHBondContact O-N 3.07Å; L402-A406 VanDerWaalsContact O-N 3.09Å; K403-A406 WeakPolarHBondContact O-CB 3.31Å; K403-A406 PolarHBondContact O-N 3.29Å; W404-A406 VanDerWaalsContact C-N 3.3Å; W404-A406 PolarHBondContact O-N 2.9Å; A406-A408 PolarHBondContact O-N 3.46Å; A406-N409 CarbonylContact O-C 3.59Å; A406-N409 PolarHBondContact O-N 2.89Å; A406-K410 PolarHBondContact O-N 2.9Å; A406-G411 PolarHBondContact O-N 3.49Å; A406-F413 HydrophobicContact CB-CB 4Å
407	C	90.1	Very high	88.2	Confident	35 Å²	35	36.7 Å²	36.7	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-41.8	-179.9	-59.4	0	0	0	0	112.5	K403 W404 N409 C1056	K403-C407 PolarHBondContact O-N 3.09Å; K403-C407 PolarHBondContact O-SG 3.29Å; W404-C407 PolarHBondContact O-N 3.04Å; C407-N409 PolarHBondContact O-N 3.38Å; C407-C1056 HydrophobicContact CB-CB 3.72Å; C407-C1056 WeakPolarHBondContact CB-SG 3.23Å; C407-C1056 WeakPolarHBondContact SG-CB 3.34Å; C407-C1056 CovalentContact SG-SG 2.03Å; C407-C1056 PolarHBondContact SG-SG 3.48Å
408	A	90	Very high	89.2	Confident	13 Å²	13	34.8 Å²	34.8	11%	0.107	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-24.4	-178.5	0	0	0	0	0	112.9	W380 R383 W404 A406	W380-A408 HydrophobicContact CZ2-CB 3.86Å; R383-A408 VanDerWaalsContact CD-O 3.29Å; R383-A408 WeakPolarHBondContact CD-O 3.26Å; R383-A408 PolarHBondContact NE-O 3.44Å; R383-A408 VanDerWaalsContact NE-O 3.13Å; W404-A408 HydrophobicContact CD2-CB 4.45Å; W404-A408 HydrophobicContact CE3-CB 4.39Å; W404-A408 HydrophobicContact CH2-CB 4.3Å; W404-A408 HydrophobicContact CZ2-CB 4.35Å; W404-A408 HydrophobicContact CZ3-CB 4.31Å; W404-A408 VanDerWaalsContact O-CB 3.32Å; W404-A408 WeakPolarHBondContact O-CB 3.44Å; W404-A408 PolarHBondContact O-N 3.03Å; A406-A408 PolarHBondContact O-N 3.46Å
409	N	90.9	Very high	90	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	33.7	-175.3	-60.8	-76.2	0	0	0	113.4	N379 W380 R386 I387 M405 A406 C407 G411	N379-N409 PolarHBondContact ND2-OD1 3.43Å; W380-N409 PolarHBondContact NE1-OD1 3.31Å; R386-N409 WeakPolarHBondContact CA-O 3.42Å; I387-N409 HydrophobicContact CB-CB 4.1Å; I387-N409 HydrophobicContact CD1-CB 3.75Å; I387-N409 HydrophobicContact CG1-CB 3.73Å; M405-N409 PolarHBondContact O-N 2.81Å; M405-N409 PolarHBondContact O-ND2 3.16Å; A406-N409 CarbonylContact O-C 3.59Å; A406-N409 PolarHBondContact O-N 2.89Å; C407-N409 PolarHBondContact O-N 3.38Å; N409-G411 PolarHBondContact O-N 2.97Å
410	K	89.6	Confident	89.9	Confident	18 Å²	18	37.2 Å²	37.2	8%	0.078	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	26.7	173	-61.2	-171.1	144.4	-151.5	0	115.6	R383 R386 A406 F1047 E1051	R383-K410 HydrophobicContact CB-CD 4.31Å; R383-K410 HydrophobicContact CB-CG 4.29Å; R386-K410 PolarHBondContact NH1-O 2.77Å; A406-K410 PolarHBondContact O-N 2.9Å; K410-F1047 HydrophobicContact CD-CD2 4.41Å; K410-F1047 HydrophobicContact CD-CE2 4.14Å; K410-E1051 WeakPolarHBondContact CE-OE2 3.34Å; K410-E1051 IonicContact NZ-OE2 3.71Å; K410-E1051 PolarHBondContact NZ-OE2 3.12Å
411	G	90.7	Very high	89.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.01	18%	0.182	C	C	.	.			trans	-107.8	-153	179.2	0	0	0	0	0	113.3	I387 A406 N409	I387-G411 VanDerWaalsContact O-CA 3.32Å; I387-G411 WeakPolarHBondContact O-CA 3.36Å; A406-G411 PolarHBondContact O-N 3.49Å; N409-G411 PolarHBondContact O-N 2.97Å
412	Y	92.2	Very high	89.7	Confident	37 Å²	37	31.6 Å²	31.6	15%	0.145	17%	0.171	C	C	.	.			trans	-143.8	136.4	-176	-157	-114	0	0	0	111.4	P389 T414 E428 V432 G1058	P389-Y412 WeakPolarHBondContact CD-O 3.23Å; Y412-T414 HydrophobicContact CD1-CG2 3.66Å; Y412-T414 HydrophobicContact CE1-CG2 3.92Å; Y412-E428 HydrophobicContact CD1-CB 3.98Å; Y412-E428 HydrophobicContact CE1-CB 3.76Å; Y412-E428 HydrophobicContact CE1-CG 4.16Å; Y412-V432 HydrophobicContact CD2-CG2 4.01Å; Y412-V432 HydrophobicContact CG-CG2 4.09Å; Y412-G1058 PolarHBondContact OH-N 3.2Å
413	F	92.4	Very high	89.4	Confident	21 Å²	21	36.2 Å²	36.2	9%	0.092	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-98.2	133.4	175.2	168.9	-95	0	0	0	110.8	P389 L391 A399 L402 K403 A406 Q415 C1056 G1057	P389-F413 HydrophobicContact CB-CD2 4.4Å; L391-F413 HydrophobicContact CB-CE2 3.85Å; L391-F413 HydrophobicContact CB-CZ 4.03Å; L391-F413 HydrophobicContact CD2-CE2 4.36Å; L391-F413 HydrophobicContact CD2-CZ 3.95Å; A399-F413 HydrophobicContact CB-CZ 3.86Å; L402-F413 HydrophobicContact CB-CD2 3.86Å; L402-F413 HydrophobicContact CB-CE2 3.76Å; L402-F413 HydrophobicContact CD1-CE2 4.37Å; K403-F413 HydrophobicContact CB-CB 4.21Å; K403-F413 HydrophobicContact CB-CD1 4.15Å; K403-F413 HydrophobicContact CB-CD2 4.19Å; K403-F413 HydrophobicContact CB-CG 3.9Å; K403-F413 HydrophobicContact CD-CD1 4.48Å; K403-F413 HydrophobicContact CG-CB 4.18Å; K403-F413 HydrophobicContact CG-CD1 4.23Å; K403-F413 HydrophobicContact CG-CG 4.21Å; A406-F413 HydrophobicContact CB-CB 4Å; F413-Q415 HydrophobicContact CZ-CB 4.47Å; F413-C1056 WeakPolarHBondContact CB-O 3.37Å; F413-C1056 PolarHBondContact N-O 2.95Å; F413-G1057 WeakPolarHBondContact O-CA 3.37Å
414	T	91.1	Very high	89.1	Confident	10 Å²	10	37.1 Å²	37.1	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.4	174.9	64.5	0	0	0	0	110.9	P389 Y390 L391 Y412	P389-T414 PolarHBondContact O-N 3.46Å; P389-T414 VanDerWaalsContact O-N 3.14Å; Y390-T414 WeakPolarHBondContact CD1-OG1 3.27Å; Y390-T414 WeakPolarHBondContact CE1-OG1 3.17Å; L391-T414 PolarHBondContact N-O 3Å; Y412-T414 HydrophobicContact CD1-CG2 3.66Å; Y412-T414 HydrophobicContact CE1-CG2 3.92Å
415	Q	90.9	Very high	89	Confident	66 Å²	66	34.3 Å²	34.3	31%	0.308	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.2	176.5	-177.6	178.6	5	0	0	109.6	L391 G393 F413	L391-Q415 HydrophobicContact CB-CB 4.42Å; L391-Q415 HydrophobicContact CB-CG 4.34Å; L391-Q415 HydrophobicContact CD2-CG 4.03Å; L391-Q415 HydrophobicContact CG-CG 4.19Å; L391-Q415 WeakPolarHBondContact O-CA 3.29Å; G393-Q415 PolarHBondContact O-NE2 2.79Å; F413-Q415 HydrophobicContact CZ-CB 4.47Å
416	I	91.4	Very high	88.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.3	-178.4	-60.3	176.8	0	0	0	108.1	I269 T273 Y390 L391 I392 G393 T418 D421 V422 N425	I269-I416 HydrophobicContact CG2-CG2 3.6Å; T273-I416 HydrophobicContact CG2-CD1 3.65Å; T273-I416 WeakPolarHBondContact OG1-CD1 3.49Å; Y390-I416 HydrophobicContact CD1-CD1 3.94Å; L391-I416 PolarHBondContact O-N 3.08Å; I392-I416 HydrophobicContact CD1-CB 4.07Å; I392-I416 HydrophobicContact CD1-CD1 4.3Å; G393-I416 PolarHBondContact N-O 3.46Å; I416-T418 WeakPolarHBondContact CG2-O 3.43Å; I416-D421 HydrophobicContact CG2-CB 4.46Å; I416-V422 HydrophobicContact CG2-CG2 3.65Å; I416-N425 HydrophobicContact CD1-CB 4.42Å; I416-N425 HydrophobicContact CG1-CB 3.99Å
417	S	88.5	Confident	88.5	Confident	35 Å²	35	34.6 Å²	34.6	25%	0.245	19%	0.192	C	C	.	.			trans	-95.9	-25.2	-177.1	-77.6	0	0	0	0	113.7	D421	S417-D421 WeakPolarHBondContact CA-OD2 2.93Å; S417-D421 WeakPolarHBondContact CB-OD2 3.33Å; S417-D421 PolarHBondContact N-OD2 3.08Å; S417-D421 VanDerWaalsContact N-OD2 3.1Å
418	T	89.8	Confident	88.3	Confident	44 Å²	44	35.8 Å²	35.8	27%	0.27	19%	0.194	S	C	.	.	S	Bend	trans	-141.1	166.4	-177.8	86.7	0	0	0	0	111.7	I416 A420 D421	I416-T418 WeakPolarHBondContact CG2-O 3.43Å; T418-A420 VanDerWaalsContact C-N 3.25Å; T418-A420 PolarHBondContact O-N 2.9Å; T418-A420 PolarHBondContact OG1-N 3.39Å; T418-D421 PolarHBondContact N-OD2 2.8Å; T418-D421 PolarHBondContact O-N 2.79Å; T418-D421 PolarHBondContact OG1-N 2.61Å; T418-D421 PolarHBondContact OG1-OD1 2.93Å; T418-D421 PolarHBondContact OG1-OD2 2.82Å
419	L	87.7	Confident	88.3	Confident	82 Å²	82	35.3 Å²	35.3	43%	0.429	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.9	175	-69.5	169	0	0	0	113.3	I269 Q272 V422	I269-L419 HydrophobicContact CB-CD2 4.32Å; I269-L419 HydrophobicContact CG1-CD2 3.81Å; I269-L419 HydrophobicContact CG1-CG 4.06Å; Q272-L419 HydrophobicContact CB-CD2 3.75Å; Q272-L419 HydrophobicContact CG-CD2 3.99Å; L419-V422 WeakPolarHBondContact O-CG2 3.49Å
420	A	83.1	Confident	88.2	Confident	79 Å²	79	35.5 Å²	35.5	65%	0.653	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-36.4	177.6	0	0	0	0	0	111.6	T418 V422	T418-A420 VanDerWaalsContact C-N 3.25Å; T418-A420 PolarHBondContact O-N 2.9Å; T418-A420 PolarHBondContact OG1-N 3.39Å; A420-V422 PolarHBondContact O-N 2.86Å
421	D	84.8	Confident	88.1	Confident	50 Å²	50	36.7 Å²	36.7	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-67.7	-18.4	-178.9	-39.9	-20.2	0	0	0	112.6	I416 S417 T418 Q423 N425	I416-D421 HydrophobicContact CG2-CB 4.46Å; S417-D421 WeakPolarHBondContact CA-OD2 2.93Å; S417-D421 WeakPolarHBondContact CB-OD2 3.33Å; S417-D421 PolarHBondContact N-OD2 3.08Å; S417-D421 VanDerWaalsContact N-OD2 3.1Å; T418-D421 PolarHBondContact N-OD2 2.8Å; T418-D421 PolarHBondContact O-N 2.79Å; T418-D421 PolarHBondContact OG1-N 2.61Å; T418-D421 PolarHBondContact OG1-OD1 2.93Å; T418-D421 PolarHBondContact OG1-OD2 2.82Å; D421-Q423 PolarHBondContact O-N 2.92Å; D421-N425 WeakPolarHBondContact O-CB 3.48Å; D421-N425 PolarHBondContact O-N 2.94Å; D421-N425 PolarHBondContact O-ND2 2.86Å
422	V	87.6	Confident	88	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-56.9	-52	-173	173.5	0	0	0	0	111.8	I269 Q272 I416 L419 A420 E424 V426	I269-V422 HydrophobicContact CG2-CG2 4.2Å; Q272-V422 HydrophobicContact CG-CG1 4.35Å; Q272-V422 HydrophobicContact CG-CG2 4.33Å; I416-V422 HydrophobicContact CG2-CG2 3.65Å; L419-V422 WeakPolarHBondContact O-CG2 3.49Å; A420-V422 PolarHBondContact O-N 2.86Å; V422-E424 PolarHBondContact O-N 3.48Å; V422-V426 HydrophobicContact CG1-CG2 4.24Å; V422-V426 WeakPolarHBondContact O-CB 3.5Å; V422-V426 VanDerWaalsContact O-CG2 3.28Å; V422-V426 WeakPolarHBondContact O-CG2 3.24Å; V422-V426 PolarHBondContact O-N 2.91Å
423	Q	83.7	Confident	87.9	Confident	97 Å²	97	35.3 Å²	35.3	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-64.8	-42.2	-170.5	-71.3	-174.8	-30.4	0	0	112.1	D421 M427	D421-Q423 PolarHBondContact O-N 2.92Å; Q423-M427 VanDerWaalsContact O-CG 3.26Å; Q423-M427 WeakPolarHBondContact O-CG 3.44Å
424	E	83.3	Confident	87.7	Confident	90 Å²	90	34.3 Å²	34.3	42%	0.421	19%	0.187	S	C	.	.	H	α-helix	trans	-70.6	-46.6	-179.3	-173.3	167.4	-150.7	0	0	111.7	V422 V426 M427	V422-E424 PolarHBondContact O-N 3.48Å; E424-V426 PolarHBondContact O-N 2.74Å; E424-M427 PolarHBondContact O-N 3.02Å
425	N	87.8	Confident	87.6	Confident	42 Å²	42	34.8 Å²	34.8	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-31.8	-178.5	-75.8	-76.1	0	0	0	113.5	I416 D421	I416-N425 HydrophobicContact CD1-CB 4.42Å; I416-N425 HydrophobicContact CG1-CB 3.99Å; D421-N425 WeakPolarHBondContact O-CB 3.48Å; D421-N425 PolarHBondContact O-N 2.94Å; D421-N425 PolarHBondContact O-ND2 2.86Å
426	V	88.5	Confident	87.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-36.5	175.4	169.2	0	0	0	0	111.3	T273 I277 T280 Y390 V422 E424 E428 Y429	T273-V426 HydrophobicContact CG2-CG2 4.01Å; I277-V426 HydrophobicContact CG1-CG1 3.72Å; I277-V426 HydrophobicContact CG1-CG2 4.12Å; T280-V426 HydrophobicContact CG2-CG1 4.35Å; Y390-V426 HydrophobicContact CE1-CG2 4.12Å; V422-V426 HydrophobicContact CG1-CG2 4.24Å; V422-V426 WeakPolarHBondContact O-CB 3.5Å; V422-V426 VanDerWaalsContact O-CG2 3.28Å; V422-V426 WeakPolarHBondContact O-CG2 3.24Å; V422-V426 PolarHBondContact O-N 2.91Å; E424-V426 PolarHBondContact O-N 2.74Å; V426-E428 VanDerWaalsContact C-N 3.26Å; V426-E428 PolarHBondContact O-N 2.77Å; V426-Y429 HydrophobicContact CG1-CD1 4.5Å; V426-Y429 HydrophobicContact CG1-CE1 4.3Å; V426-Y429 WeakPolarHBondContact O-CD1 3.44Å
427	M	85.1	Confident	87.3	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-21.7	-175.6	-64.2	-66.8	154.6	0	0	114	N238 T280 Q423 E424 Y429 L430	N238-M427 HydrophobicContact CB-CE 4.32Å; N238-M427 VanDerWaalsContact CG-CE 3.41Å; N238-M427 WeakPolarHBondContact OD1-CE 3.33Å; T280-M427 HydrophobicContact CG2-CE 3.21Å; T280-M427 HydrophobicContact CG2-SD 3.53Å; T280-M427 VanDerWaalsContact CG2-SD 3.53Å; Q423-M427 VanDerWaalsContact O-CG 3.26Å; Q423-M427 WeakPolarHBondContact O-CG 3.44Å; E424-M427 PolarHBondContact O-N 3.02Å; M427-Y429 PolarHBondContact O-N 3.32Å; M427-L430 WeakPolarHBondContact O-CB 3.41Å; M427-L430 PolarHBondContact O-N 3.11Å; M427-L430 VanDerWaalsContact O-N 3.07Å; M427-L430 HydrophobicContact SD-CD1 3.83Å
428	E	86	Confident	87.1	Confident	60 Å²	60	30.6 Å²	30.6	28%	0.28	17%	0.165	S	C	.	.	H	α-helix	trans	-59.2	-28.4	-179.2	-74.7	-65.1	153.1	0	0	113.9	Y412 V426 L430 H431	Y412-E428 HydrophobicContact CD1-CB 3.98Å; Y412-E428 HydrophobicContact CE1-CB 3.76Å; Y412-E428 HydrophobicContact CE1-CG 4.16Å; V426-E428 VanDerWaalsContact C-N 3.26Å; V426-E428 PolarHBondContact O-N 2.77Å; E428-L430 PolarHBondContact O-N 2.9Å; E428-H431 PolarHBondContact O-N 2.96Å; E428-H431 IonicContact OE2-CD2 3.02Å
429	Y	89.6	Confident	86.9	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-29.5	177.8	89.5	-106.2	0	0	0	112.1	K250 T280 M361 Y390 V426 M427 H431 V432 L433	K250-Y429 HydrophobicContact CD-CE2 4.28Å; K250-Y429 WeakPolarHBondContact CE-OH 3.49Å; T280-Y429 VanDerWaalsContact CB-OH 3.23Å; T280-Y429 WeakPolarHBondContact CB-OH 3.44Å; T280-Y429 PolarHBondContact O-OH 2.95Å; T280-Y429 WeakPolarHBondContact OG1-CE1 2.86Å; T280-Y429 PolarHBondContact OG1-OH 3.2Å; M361-Y429 HydrophobicContact CE-CD1 3.96Å; M361-Y429 HydrophobicContact CE-CD2 4.03Å; M361-Y429 HydrophobicContact CE-CE1 3.81Å; M361-Y429 HydrophobicContact CE-CE2 3.89Å; M361-Y429 HydrophobicContact CE-CG 4.11Å; Y390-Y429 WeakPolarHBondContact OH-CD1 3.43Å; V426-Y429 HydrophobicContact CG1-CD1 4.5Å; V426-Y429 HydrophobicContact CG1-CE1 4.3Å; V426-Y429 WeakPolarHBondContact O-CD1 3.44Å; M427-Y429 PolarHBondContact O-N 3.32Å; Y429-H431 VanDerWaalsContact C-N 3.3Å; Y429-H431 PolarHBondContact O-N 3.3Å; Y429-V432 PolarHBondContact O-N 2.86Å; Y429-L433 HydrophobicContact CD2-CD1 3.61Å; Y429-L433 HydrophobicContact CD2-CG 4.05Å; Y429-L433 HydrophobicContact CE2-CD1 3.6Å; Y429-L433 HydrophobicContact CE2-CG 4.49Å; Y429-L433 PolarHBondContact O-N 3.4Å
430	L	88.9	Confident	86.6	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-38.8	178.5	-63	171.9	0	0	0	111	I243 T247 M427 E428 V432 L433 S434	I243-L430 HydrophobicContact CG1-CD1 4.25Å; I243-L430 HydrophobicContact CG2-CD2 4.24Å; T247-L430 HydrophobicContact CG2-CB 4.1Å; T247-L430 HydrophobicContact CG2-CD2 3.74Å; M427-L430 WeakPolarHBondContact O-CB 3.41Å; M427-L430 PolarHBondContact O-N 3.11Å; M427-L430 VanDerWaalsContact O-N 3.07Å; M427-L430 HydrophobicContact SD-CD1 3.83Å; E428-L430 PolarHBondContact O-N 2.9Å; L430-V432 VanDerWaalsContact C-N 3.33Å; L430-V432 PolarHBondContact O-N 2.82Å; L430-L433 PolarHBondContact O-N 3.1Å; L430-S434 WeakPolarHBondContact O-CB 3.4Å; L430-S434 PolarHBondContact O-N 2.8Å
431	H	87.4	Confident	86.5	Confident	43 Å²	43	29.7 Å²	29.7	20%	0.199	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.2	-67.8	-42.5	0	0	0	111.5	A212 E428 Y429 S434	A212-H431 VanDerWaalsContact CB-CE1 3.49Å; A212-H431 WeakPolarHBondContact CB-CE1 3.46Å; E428-H431 PolarHBondContact O-N 2.96Å; E428-H431 IonicContact OE2-CD2 3.02Å; Y429-H431 VanDerWaalsContact C-N 3.3Å; Y429-H431 PolarHBondContact O-N 3.3Å; H431-S434 PolarHBondContact O-N 2.99Å; H431-S434 PolarHBondContact O-OG 3.23Å
432	V	88.8	Confident	86.2	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-39.1	177.8	-179.6	0	0	0	0	112.3	R386 F388 Y412 Y429 L430 S434 R435	R386-V432 PolarHBondContact NH1-O 2.88Å; F388-V432 HydrophobicContact CE1-CB 4.13Å; F388-V432 HydrophobicContact CE1-CG1 4.13Å; F388-V432 HydrophobicContact CZ-CB 4.46Å; F388-V432 HydrophobicContact CZ-CG1 4.27Å; Y412-V432 HydrophobicContact CD2-CG2 4.01Å; Y412-V432 HydrophobicContact CG-CG2 4.09Å; Y429-V432 PolarHBondContact O-N 2.86Å; L430-V432 VanDerWaalsContact C-N 3.33Å; L430-V432 PolarHBondContact O-N 2.82Å; V432-S434 VanDerWaalsContact C-N 3.32Å; V432-S434 PolarHBondContact O-N 3.2Å; V432-R435 WeakPolarHBondContact O-CG 3.4Å; V432-R435 PolarHBondContact O-N 3.22Å
433	L	89.4	Confident	86	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-26.3	174.5	-66.3	-174.3	0	0	0	113.4	T247 K250 R386 F388 Y429 L430 R435 P436	T247-L433 HydrophobicContact CG2-CB 3.91Å; K250-L433 HydrophobicContact CD-CD1 3.71Å; R386-L433 VanDerWaalsContact CD-CD2 3.45Å; F388-L433 HydrophobicContact CE2-CD2 4.31Å; F388-L433 HydrophobicContact CZ-CD2 4.09Å; F388-L433 HydrophobicContact CZ-CG 4.4Å; Y429-L433 HydrophobicContact CD2-CD1 3.61Å; Y429-L433 HydrophobicContact CD2-CG 4.05Å; Y429-L433 HydrophobicContact CE2-CD1 3.6Å; Y429-L433 HydrophobicContact CE2-CG 4.49Å; Y429-L433 PolarHBondContact O-N 3.4Å; L430-L433 PolarHBondContact O-N 3.1Å; L433-R435 VanDerWaalsContact C-N 3.31Å; L433-R435 PolarHBondContact O-N 3.19Å; L433-P436 WeakPolarHBondContact O-CD 3.43Å
434	S	89	Confident	86	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-72.8	-20.3	177.2	73.8	0	0	0	0	113.9	A246 L430 H431 V432 K437 V438	A246-S434 WeakPolarHBondContact O-CB 3.39Å; L430-S434 WeakPolarHBondContact O-CB 3.4Å; L430-S434 PolarHBondContact O-N 2.8Å; H431-S434 PolarHBondContact O-N 2.99Å; H431-S434 PolarHBondContact O-OG 3.23Å; V432-S434 VanDerWaalsContact C-N 3.32Å; V432-S434 PolarHBondContact O-N 3.2Å; S434-K437 PolarHBondContact O-N 2.82Å; S434-V438 WeakPolarHBondContact O-CG2 3.36Å; S434-V438 PolarHBondContact O-N 2.68Å; S434-V438 VanDerWaalsContact O-N 3.08Å
435	R	88.4	Confident	86.3	Confident	20 Å²	20	29.6 Å²	29.6	8%	0.075	14%	0.141	C	C	.	.	H	α-helix	trans	-52.6	-46.7	-171.8	-65.8	178.4	175.9	161	-0.6	114.8	V432 L433 V438 I439 R482 E1051 E1055	V432-R435 WeakPolarHBondContact O-CG 3.4Å; V432-R435 PolarHBondContact O-N 3.22Å; L433-R435 VanDerWaalsContact C-N 3.31Å; L433-R435 PolarHBondContact O-N 3.19Å; R435-V438 PolarHBondContact O-N 3.27Å; R435-I439 WeakPolarHBondContact O-CD1 3.49Å; R435-I439 VanDerWaalsContact O-CG1 3.28Å; R435-I439 WeakPolarHBondContact O-CG1 3.23Å; R435-I439 PolarHBondContact O-N 2.87Å; R435-I439 VanDerWaalsContact O-N 3.17Å; R435-R482 WeakPolarHBondContact CG-O 3.21Å; R435-E1051 HydrophobicContact CB-CG 4.29Å; R435-E1055 PolarHBondContact NH1-O 3.46Å; R435-E1055 PolarHBondContact NH2-O 3.47Å
436	P	88	Confident	86.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-49	179.5	-22.5	35	0	0	0	112.2	R386 L433 V438 I439 D440 H1045 H1048	R386-P436 VanDerWaalsContact NH2-CG 3.34Å; L433-P436 WeakPolarHBondContact O-CD 3.43Å; P436-V438 VanDerWaalsContact C-N 3.26Å; P436-V438 PolarHBondContact O-N 2.94Å; P436-I439 PolarHBondContact O-N 3.46Å; P436-D440 PolarHBondContact O-N 3.38Å; P436-H1045 HydrophobicContact CB-CB 4.34Å; P436-H1045 WeakPolarHBondContact CB-O 3.44Å; P436-H1048 HydrophobicContact CB-CB 4.02Å
437	K	87.3	Confident	86.7	Confident	5 Å²	5	29.7 Å²	29.7	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-38.3	178.8	-167.4	178.1	-175.7	172.1	0	112.4	A245 S434 R441 E442 D444 F473 H1045	A245-K437 PolarHBondContact O-NZ 3.03Å; S434-K437 PolarHBondContact O-N 2.82Å; K437-R441 PolarHBondContact O-N 3.13Å; K437-E442 WeakPolarHBondContact CE-O 3.33Å; K437-E442 PolarHBondContact O-N 2.78Å; K437-D444 WeakPolarHBondContact CE-OD2 3.39Å; K437-D444 IonicContact NZ-OD2 3.66Å; K437-D444 PolarHBondContact NZ-OD2 3.37Å; K437-D444 VanDerWaalsContact NZ-OD2 3.13Å; K437-F473 HydrophobicContact CG-CZ 4.14Å; K437-H1045 HydrophobicContact CB-CB 4.14Å
438	V	85.7	Confident	87	Confident	8 Å²	8	29.4 Å²	29.4	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-39.8	175.5	-177.4	0	0	0	0	111.7	S434 R435 P436 R441 F473 G483	S434-V438 WeakPolarHBondContact O-CG2 3.36Å; S434-V438 PolarHBondContact O-N 2.68Å; S434-V438 VanDerWaalsContact O-N 3.08Å; R435-V438 PolarHBondContact O-N 3.27Å; P436-V438 VanDerWaalsContact C-N 3.26Å; P436-V438 PolarHBondContact O-N 2.94Å; V438-R441 PolarHBondContact O-N 3.19Å; V438-F473 HydrophobicContact CB-CD1 3.89Å; V438-F473 HydrophobicContact CB-CE1 4.08Å; V438-F473 HydrophobicContact CB-CG 4.35Å; V438-F473 HydrophobicContact CG1-CB 3.96Å; V438-F473 HydrophobicContact CG1-CD1 3.78Å; V438-F473 HydrophobicContact CG1-CE1 4.47Å; V438-F473 HydrophobicContact CG1-CG 3.94Å; V438-F473 HydrophobicContact CG2-CD1 3.4Å; V438-F473 VanDerWaalsContact CG2-CD1 3.4Å; V438-F473 HydrophobicContact CG2-CE1 3.4Å; V438-F473 HydrophobicContact CG2-CG 4.33Å; V438-F473 HydrophobicContact CG2-CZ 4.34Å; V438-G483 VanDerWaalsContact CG1-C 3.46Å; V438-G483 WeakPolarHBondContact CG2-O 3.39Å
439	I	84.1	Confident	87.2	Confident	7 Å²	7	27.2 Å²	27.2	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-72.2	-39.1	-178.5	-61.5	160	0	0	0	111.2	R435 P436 R441 H1048 E1051	R435-I439 WeakPolarHBondContact O-CD1 3.49Å; R435-I439 VanDerWaalsContact O-CG1 3.28Å; R435-I439 WeakPolarHBondContact O-CG1 3.23Å; R435-I439 PolarHBondContact O-N 2.87Å; R435-I439 VanDerWaalsContact O-N 3.17Å; P436-I439 PolarHBondContact O-N 3.46Å; I439-R441 PolarHBondContact O-N 2.83Å; I439-H1048 HydrophobicContact CD1-CB 4.31Å; I439-H1048 WeakPolarHBondContact CG2-CE1 3.42Å; I439-H1048 WeakPolarHBondContact CG2-ND1 3.41Å; I439-E1051 HydrophobicContact CD1-CB 4.14Å
440	D	82.8	Confident	87.1	Confident	59 Å²	59	27.2 Å²	27.2	32%	0.316	13%	0.13	S	C	.	.	H	α-helix	trans	-66.2	-21.6	174.5	-67.3	-26.5	0	0	0	112.6	P436 E442 H1045 H1048	P436-D440 PolarHBondContact O-N 3.38Å; D440-E442 VanDerWaalsContact C-N 3.32Å; D440-E442 HydrophobicContact CB-CG 4.18Å; D440-H1045 IonicContact OD2-CE1 3.53Å; D440-H1045 IonicContact OD2-CG 3.74Å; D440-H1045 IonicContact OD2-ND1 3.62Å; D440-H1045 PolarHBondContact OD2-ND1 3.44Å; D440-H1048 IonicContact OD1-CD2 2.63Å; D440-H1048 PolarHBondContact OD1-CD2 3.16Å; D440-H1048 IonicContact OD1-NE2 2.71Å
441	R	80.8	Confident	87	Confident	119 Å²	119	29.1 Å²	29.1	45%	0.449	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	37.5	-174.5	-58.6	-177.7	170.4	-164.7	-6.8	113.2	K437 V438 I439	K437-R441 PolarHBondContact O-N 3.13Å; V438-R441 PolarHBondContact O-N 3.19Å; I439-R441 PolarHBondContact O-N 2.83Å
442	E	77.4	Confident	86.7	Confident	84 Å²	84	27.2 Å²	27.2	39%	0.393	13%	0.129	S	C	.	.			trans	-91.9	107.6	178.6	-70.2	-162.7	-154.5	0	0	112.2	K437 D440 D444 H1045	K437-E442 WeakPolarHBondContact CE-O 3.33Å; K437-E442 PolarHBondContact O-N 2.78Å; D440-E442 VanDerWaalsContact C-N 3.32Å; D440-E442 HydrophobicContact CB-CG 4.18Å; E442-D444 VanDerWaalsContact C-N 3.27Å; E442-D444 PolarHBondContact O-N 3.42Å; E442-D444 VanDerWaalsContact O-N 3.1Å; E442-H1045 VanDerWaalsContact CD-CE1 3.4Å; E442-H1045 IonicContact OE1-CE1 3.03Å; E442-H1045 IonicContact OE2-CE1 3.71Å; E442-H1045 PolarHBondContact OE2-CE1 3.14Å; E442-H1045 IonicContact OE2-NE2 2.7Å; E442-H1045 PolarHBondContact OE2-NE2 2.87Å
443	H	83.6	Confident	85.8	Confident	69 Å²	69	27.7 Å²	27.7	32%	0.319	13%	0.131	S	C	.	.			trans	-83.8	64.1	175.2	-57.1	114	0	0	0	111.4	E115 T445 P471 F473	E115-H443 IonicContact OE1-CD2 2.86Å; E115-H443 IonicContact OE1-CE1 2.79Å; E115-H443 IonicContact OE1-NE2 3.3Å; E115-H443 PolarHBondContact OE1-NE2 3.19Å; E115-H443 IonicContact OE2-CE1 3.84Å; E115-H443 IonicContact OE2-NE2 2.94Å; H443-T445 PolarHBondContact O-N 2.69Å; H443-P471 PolarHBondContact CD2-O 3.03Å; H443-F473 AromaticContact CD2-CD2 3.82Å; H443-F473 AromaticContact CD2-CE2 3.82Å; H443-F473 AromaticContact NE2-CD2 3.63Å
444	D	84.7	Confident	84.6	Confident	25 Å²	25	29.6 Å²	29.6	13%	0.134	15%	0.145	C	C	.	.			trans	-52.1	133.6	174.2	-75.1	-43.7	0	0	0	111.3	K437 E442 V446 T1043	K437-D444 WeakPolarHBondContact CE-OD2 3.39Å; K437-D444 IonicContact NZ-OD2 3.66Å; K437-D444 PolarHBondContact NZ-OD2 3.37Å; K437-D444 VanDerWaalsContact NZ-OD2 3.13Å; E442-D444 VanDerWaalsContact C-N 3.27Å; E442-D444 PolarHBondContact O-N 3.42Å; E442-D444 VanDerWaalsContact O-N 3.1Å; D444-V446 HydrophobicContact CB-CG2 4.45Å; D444-T1043 VanDerWaalsContact CG-OG1 3.29Å; D444-T1043 PolarHBondContact OD1-OG1 3.2Å; D444-T1043 PolarHBondContact OD2-OG1 3.47Å
445	T	89.6	Confident	83.1	Confident	58 Å²	58	30.6 Å²	30.6	36%	0.356	15%	0.151	S	C	.	.			trans	-87.7	110.2	171.9	-52.2	0	0	0	0	109.1	A104 H443 V468 M470	A104-T445 HydrophobicContact CB-CG2 4.11Å; H443-T445 PolarHBondContact O-N 2.69Å; T445-V468 HydrophobicContact CG2-CG2 3.44Å; T445-V468 VanDerWaalsContact CG2-CG2 3.44Å; T445-M470 HydrophobicContact CG2-CE 4.02Å; T445-M470 WeakPolarHBondContact OG1-CE 3.49Å
446	V	91.6	Very high	81.4	Confident	26 Å²	26	31.5 Å²	31.5	16%	0.158	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.5	-180	176.6	0	0	0	0	109.8	Q244 A245 D444 V468 A469	Q244-V446 HydrophobicContact CB-CG1 3.61Å; A245-V446 HydrophobicContact CB-CB 4.45Å; A245-V446 HydrophobicContact CB-CG2 4.5Å; D444-V446 HydrophobicContact CB-CG2 4.45Å; V446-V468 CarbonylContact O-C 3.51Å; V446-V468 WeakPolarHBondContact O-CA 3.24Å; V446-A469 PolarHBondContact N-O 2.91Å; V446-A469 PolarHBondContact O-N 2.89Å
447	W	92.3	Very high	79.7	Confident	18 Å²	18	35 Å²	35	7%	0.068	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.1	176.5	-67.3	86.9	0	0	0	109.3	F100 K103 T467 V468 V493 T601 P602 F603	F100-W447 HydrophobicContact CB-CH2 3.8Å; F100-W447 HydrophobicContact CB-CZ2 3.84Å; F100-W447 HydrophobicContact CD1-CE3 4.27Å; F100-W447 AromaticContact CD1-CH2 3.28Å; F100-W447 HydrophobicContact CD1-CH2 3.28Å; F100-W447 HydrophobicContact CD1-CZ2 4.04Å; F100-W447 AromaticContact CD1-CZ3 3.4Å; F100-W447 HydrophobicContact CD1-CZ3 3.4Å; F100-W447 VanDerWaalsContact CD1-CZ3 3.4Å; F100-W447 HydrophobicContact CE1-CE3 4.36Å; F100-W447 HydrophobicContact CE1-CH2 4.11Å; F100-W447 AromaticContact CE1-CZ3 3.75Å; F100-W447 HydrophobicContact CE1-CZ3 3.75Å; F100-W447 AromaticContact CG-CH2 3.9Å; F100-W447 HydrophobicContact CG-CH2 3.9Å; F100-W447 HydrophobicContact CG-CZ2 4.24Å; F100-W447 HydrophobicContact CG-CZ3 4.35Å; K103-W447 HydrophobicContact CB-CH2 4.34Å; W447-T467 WeakPolarHBondContact CA-O 3.41Å; W447-V468 HydrophobicContact CD2-CB 4.01Å; W447-V468 HydrophobicContact CD2-CG2 4.32Å; W447-V468 HydrophobicContact CE3-CB 3.82Å; W447-V468 HydrophobicContact CH2-CB 3.58Å; W447-V468 HydrophobicContact CH2-CG1 3.92Å; W447-V468 HydrophobicContact CH2-CG2 4.1Å; W447-V468 HydrophobicContact CZ2-CB 3.79Å; W447-V468 HydrophobicContact CZ2-CG1 4.45Å; W447-V468 HydrophobicContact CZ2-CG2 3.8Å; W447-V468 HydrophobicContact CZ3-CB 3.61Å; W447-V468 HydrophobicContact CZ3-CG1 4.12Å; W447-V493 HydrophobicContact CZ3-CG2 4.27Å; W447-T601 HydrophobicContact CD2-CG2 4.46Å; W447-T601 HydrophobicContact CZ2-CG2 4.09Å; W447-P602 HydrophobicContact CB-CG 3.85Å; W447-P602 VanDerWaalsContact CD1-CD 3.48Å; W447-P602 HydrophobicContact CG-CG 4.42Å; W447-F603 HydrophobicContact CB-CE1 4.44Å; W447-F603 HydrophobicContact CB-CE2 4.08Å; W447-F603 HydrophobicContact CB-CZ 3.7Å; W447-F603 HydrophobicContact CD2-CE2 4.08Å; W447-F603 AromaticContact CE3-CE2 3.92Å; W447-F603 HydrophobicContact CE3-CE2 3.92Å; W447-F603 HydrophobicContact CE3-CZ 4.35Å; W447-F603 HydrophobicContact CG-CE2 4.18Å; W447-F603 HydrophobicContact CG-CZ 4.3Å
448	T	91.5	Very high	77.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-77.6	158.5	175.6	68.1	0	0	0	0	111.9	W241 T466 T467	W241-T448 HydrophobicContact CB-CG2 3.55Å; T448-T466 PolarHBondContact O-OG1 3.34Å; T448-T467 PolarHBondContact N-O 2.94Å; T448-T467 PolarHBondContact OG1-N 3.22Å
449	E	89.4	Confident	75.6	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.065	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-63.2	172.8	158.5	76.8	-64.8	164.7	0	0	112.3	K240 Q244 Y451 T517	K240-E449 WeakPolarHBondContact CD-OE1 3.47Å; K240-E449 WeakPolarHBondContact CE-OE1 3.47Å; K240-E449 IonicContact NZ-OE1 3.18Å; K240-E449 PolarHBondContact NZ-OE1 3.39Å; Q244-E449 PolarHBondContact NE2-OE2 2.86Å; E449-Y451 PolarHBondContact O-N 2.97Å; E449-T517 HydrophobicContact CB-CG2 4.11Å
450	A	88.4	Confident	74.1	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-70.8	126.5	-174.3	0	0	0	0	0	112.1	M465 L523 S544	A450-M465 WeakPolarHBondContact CA-O 3.39Å; A450-L523 HydrophobicContact CB-CD1 4.23Å; A450-S544 WeakPolarHBondContact O-CA 3.35Å; A450-S544 WeakPolarHBondContact O-CB 3.29Å
451	Y	86.3	Confident	72.6	Confident	44 Å²	44	47 Å²	47	17%	0.173	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.4	172.7	74.8	-96.9	0	0	0	112.4	E449 L464 M465 T467 D492	E449-Y451 PolarHBondContact O-N 2.97Å; Y451-L464 WeakPolarHBondContact O-CA 3.43Å; Y451-M465 PolarHBondContact N-O 3.13Å; Y451-M465 PolarHBondContact O-N 3.5Å; Y451-T467 WeakPolarHBondContact CE1-OG1 3.49Å; Y451-T467 PolarHBondContact OH-OG1 3.22Å; Y451-D492 PolarHBondContact OH-OD1 3.06Å
452	I	81.2	Confident	71.7	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.1	174.5	-61.7	163.7	0	0	0	109.5	S454 P462 L464 P530 R539 Y543	I452-S454 PolarHBondContact O-N 3.14Å; I452-P462 HydrophobicContact CB-CB 4.39Å; I452-P462 HydrophobicContact CD1-CB 3.82Å; I452-P462 HydrophobicContact CD1-CG 4.32Å; I452-P462 HydrophobicContact CG1-CB 4Å; I452-P462 HydrophobicContact CG2-CB 3.45Å; I452-P462 VanDerWaalsContact CG2-CB 3.45Å; I452-L464 HydrophobicContact CG1-CD2 3.8Å; I452-P530 HydrophobicContact CD1-CB 4.26Å; I452-R539 HydrophobicContact CD1-CB 4.34Å; I452-R539 HydrophobicContact CD1-CG 3.97Å; I452-R539 VanDerWaalsContact CG2-CZ 3.48Å; I452-R539 PolarHBondContact O-NH1 3.01Å; I452-Y543 HydrophobicContact CB-CE2 4.36Å; I452-Y543 HydrophobicContact CD1-CD2 4.26Å; I452-Y543 HydrophobicContact CD1-CE2 3.8Å; I452-Y543 HydrophobicContact CG1-CD2 4.43Å; I452-Y543 HydrophobicContact CG1-CE2 3.63Å; I452-Y543 PolarHBondContact N-OH 3.49Å
453	D	70.9	Confident	71.5	Confident	11 Å²	11	40.9 Å²	40.9	6%	0.059	26%	0.255	C	S	.	.			trans	-51.1	130.6	176.6	178.5	9.4	0	0	0	112.3	W206 T455 S456 M465 R539	W206-D453 PolarHBondContact NE1-OD2 2.94Å; D453-T455 PolarHBondContact O-N 2.98Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.31Å; D453-T455 PolarHBondContact OD1-N 3.44Å; D453-T455 PolarHBondContact OD1-OG1 2.96Å; D453-T455 PolarHBondContact OD2-OG1 2.94Å; D453-S456 PolarHBondContact O-N 3.3Å; D453-S456 PolarHBondContact O-OG 2.63Å; D453-M465 HydrophobicContact CB-CE 3.78Å; D453-M465 HydrophobicContact CB-SD 4.15Å; D453-R539 PolarHBondContact O-NH1 2.93Å; D453-R539 PolarHBondContact O-NH2 3.47Å
454	S	62.9	Low	71.5	Confident	47 Å²	47	39 Å²	39	33%	0.329	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.8	174.1	41.7	0	0	0	0	114	F234 I452 S456	F234-S454 WeakPolarHBondContact CD2-OG 3.21Å; F234-S454 VanDerWaalsContact CE2-OG 3.29Å; F234-S454 WeakPolarHBondContact CE2-OG 3.45Å; I452-S454 PolarHBondContact O-N 3.14Å; S454-S456 VanDerWaalsContact C-N 3.26Å; S454-S456 PolarHBondContact O-N 3.18Å
455	T	58.8	Low	71.6	Confident	22 Å²	22	38.2 Å²	38.2	14%	0.135	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.3	-178.8	83.3	0	0	0	0	113.9	R158 I222 W224 D453 D457	R158-T455 VanDerWaalsContact CZ-O 3.23Å; R158-T455 PolarHBondContact NH1-O 2.96Å; R158-T455 PolarHBondContact NH1-OG1 3.23Å; R158-T455 PolarHBondContact NH2-O 3.29Å; I222-T455 HydrophobicContact CD1-CG2 4.36Å; W224-T455 HydrophobicContact CH2-CG2 4.06Å; W224-T455 HydrophobicContact CZ2-CG2 3.72Å; D453-T455 PolarHBondContact O-N 2.98Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.31Å; D453-T455 PolarHBondContact OD1-N 3.44Å; D453-T455 PolarHBondContact OD1-OG1 2.96Å; D453-T455 PolarHBondContact OD2-OG1 2.94Å; T455-D457 PolarHBondContact O-N 3.22Å; T455-D457 VanDerWaalsContact O-N 3.15Å
456	S	52.3	Low	71.7	Confident	39 Å²	39	35.4 Å²	35.4	27%	0.273	23%	0.226	S	C	.	.			trans	-58.1	115.9	179.3	-64.8	0	0	0	0	111.5	D453 S454	D453-S456 PolarHBondContact O-N 3.3Å; D453-S456 PolarHBondContact O-OG 2.63Å; S454-S456 VanDerWaalsContact C-N 3.26Å; S454-S456 PolarHBondContact O-N 3.18Å
457	D	51.6	Low	71.8	Confident	75 Å²	75	34.2 Å²	34.2	40%	0.401	22%	0.218	S	C	.	.			trans	-88.5	153.9	-178	-160.9	0.6	0	0	0	108.8	K225 T455 G459 Q460	K225-D457 IonicContact NZ-OD1 3.4Å; K225-D457 IonicContact NZ-OD2 2.72Å; K225-D457 PolarHBondContact NZ-OD2 3.02Å; T455-D457 PolarHBondContact O-N 3.22Å; T455-D457 VanDerWaalsContact O-N 3.15Å; D457-G459 PolarHBondContact O-N 2.94Å; D457-Q460 PolarHBondContact O-N 3.47Å
458	D	45.5	Very low	71.9	Confident	105 Å²	105	33.3 Å²	33.3	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.2	-157.9	-140.5	33.9	0	0	0	114	K537	D458-K537 HydrophobicContact CB-CD 4.4Å; D458-K537 VanDerWaalsContact CG-CD 3.48Å; D458-K537 VanDerWaalsContact O-CD 3.25Å; D458-K537 WeakPolarHBondContact O-CD 3.31Å; D458-K537 WeakPolarHBondContact O-CE 3.41Å; D458-K537 PolarHBondContact O-NZ 2.89Å; D458-K537 WeakPolarHBondContact OD1-CD 3Å; D458-K537 IonicContact OD1-NZ 3.02Å; D458-K537 IonicContact OD2-NZ 2.63Å; D458-K537 PolarHBondContact OD2-NZ 2.99Å
459	G	42.5	Very low	72.1	Confident	79 Å²	79	33.3 Å²	33.3	81%	0.814	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.6	-179.1	0	0	0	0	0	116.2	D457	D457-G459 PolarHBondContact O-N 2.94Å
460	Q	52.6	Low	72.3	Confident	90 Å²	90	33.1 Å²	33.1	42%	0.421	21%	0.214	S	C	.	.	S	Bend	trans	-127.9	148.5	-170.6	-70.9	172	-10.8	0	0	112.3	N156 D457	N156-Q460 PolarHBondContact O-NE2 3.19Å; N156-Q460 PolarHBondContact O-OE1 3.21Å; D457-Q460 PolarHBondContact O-N 3.47Å
461	G	51.1	Low	72.6	Confident	57 Å²	57	33 Å²	33	59%	0.588	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-60.7	144.7	178.2	0	0	0	0	0	112.1	V463	G461-V463 PolarHBondContact O-N 3.27Å
462	P	61.2	Low	73	Confident	41 Å²	41	30.9 Å²	30.9	27%	0.266	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-66	131.7	178.1	30.2	-37	0	0	0	110.6	I452 L531	I452-P462 HydrophobicContact CB-CB 4.39Å; I452-P462 HydrophobicContact CD1-CB 3.82Å; I452-P462 HydrophobicContact CD1-CG 4.32Å; I452-P462 HydrophobicContact CG1-CB 4Å; I452-P462 HydrophobicContact CG2-CB 3.45Å; I452-P462 VanDerWaalsContact CG2-CB 3.45Å; P462-L531 HydrophobicContact CG-CD1 3.67Å; P462-L531 HydrophobicContact CG-CD2 3.81Å; P462-L531 HydrophobicContact CG-CG 3.73Å
463	V	73.2	Confident	73.5	Confident	33 Å²	33	31 Å²	31	20%	0.2	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-95.3	123.8	172.5	-178.7	0	0	0	0	108.3	G461 M465 P494	G461-V463 PolarHBondContact O-N 3.27Å; V463-M465 HydrophobicContact CB-CE 3.83Å; V463-M465 HydrophobicContact CG1-CE 3.9Å; V463-M465 HydrophobicContact CG1-CG 4.11Å; V463-P494 HydrophobicContact CG1-CB 4.03Å
464	L	83.3	Confident	74.4	Confident	30 Å²	30	31 Å²	31	16%	0.157	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134	167.9	-70.9	169.9	0	0	0	109.3	Y451 I452 V495 L528 P530 Y543	Y451-L464 WeakPolarHBondContact O-CA 3.43Å; I452-L464 HydrophobicContact CG1-CD2 3.8Å; L464-V495 HydrophobicContact CB-CB 4.12Å; L464-V495 HydrophobicContact CB-CG2 3.85Å; L464-V495 PolarHBondContact O-N 3.35Å; L464-L528 HydrophobicContact CD1-CD2 4.09Å; L464-P530 HydrophobicContact CD1-CG 4.14Å; L464-P530 HydrophobicContact CD2-CB 4.24Å; L464-P530 HydrophobicContact CD2-CG 4.45Å; L464-P530 HydrophobicContact CG-CG 4.41Å; L464-Y543 HydrophobicContact CD2-CD2 3.9Å; L464-Y543 HydrophobicContact CD2-CE2 3.78Å
465	M	88.1	Confident	75.5	Confident	7 Å²	7	30 Å²	30	3%	0.034	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.8	-179.7	-50.6	-171.9	-166.9	0	0	110.1	A450 Y451 D453 V463 D492 V493	A450-M465 WeakPolarHBondContact CA-O 3.39Å; Y451-M465 PolarHBondContact N-O 3.13Å; Y451-M465 PolarHBondContact O-N 3.5Å; D453-M465 HydrophobicContact CB-CE 3.78Å; D453-M465 HydrophobicContact CB-SD 4.15Å; V463-M465 HydrophobicContact CB-CE 3.83Å; V463-M465 HydrophobicContact CG1-CE 3.9Å; V463-M465 HydrophobicContact CG1-CG 4.11Å; M465-D492 HydrophobicContact CB-CB 4.34Å; M465-D492 HydrophobicContact SD-CB 3.74Å; M465-V493 WeakPolarHBondContact CA-O 3.42Å
466	T	92.1	Very high	76.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.6	164	171.9	0	0	0	0	108.3	T448 V493 L523	T448-T466 PolarHBondContact O-OG1 3.34Å; T466-V493 HydrophobicContact CG2-CB 4.19Å; T466-V493 PolarHBondContact N-O 2.81Å; T466-V493 PolarHBondContact O-N 3.18Å; T466-L523 HydrophobicContact CG2-CD1 3.93Å
467	T	92.8	Very high	78.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134	-179.4	-57.7	0	0	0	0	110.1	Y208 W241 W447 T448 Y451 A469 T491 D492	Y208-T467 WeakPolarHBondContact OH-CG2 3.35Å; Y208-T467 PolarHBondContact OH-OG1 3.47Å; W241-T467 HydrophobicContact CB-CG2 3.83Å; W241-T467 HydrophobicContact CG-CG2 4.17Å; W447-T467 WeakPolarHBondContact CA-O 3.41Å; T448-T467 PolarHBondContact N-O 2.94Å; T448-T467 PolarHBondContact OG1-N 3.22Å; Y451-T467 WeakPolarHBondContact CE1-OG1 3.49Å; Y451-T467 PolarHBondContact OH-OG1 3.22Å; T467-A469 HydrophobicContact CG2-CB 4.37Å; T467-T491 WeakPolarHBondContact CA-O 3.34Å; T467-D492 PolarHBondContact OG1-OD1 2.84Å
468	V	94.9	Very high	79.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.2	158.7	55.9	0	0	0	0	109.2	K103 A104 M107 T445 V446 W447 G490 T491	K103-V468 HydrophobicContact CB-CG1 4.14Å; A104-V468 HydrophobicContact CB-CG2 4.49Å; M107-V468 HydrophobicContact CG-CG1 3.88Å; M107-V468 HydrophobicContact CG-CG2 4.48Å; T445-V468 HydrophobicContact CG2-CG2 3.44Å; T445-V468 VanDerWaalsContact CG2-CG2 3.44Å; V446-V468 CarbonylContact O-C 3.51Å; V446-V468 WeakPolarHBondContact O-CA 3.24Å; W447-V468 HydrophobicContact CD2-CB 4.01Å; W447-V468 HydrophobicContact CD2-CG2 4.32Å; W447-V468 HydrophobicContact CE3-CB 3.82Å; W447-V468 HydrophobicContact CH2-CB 3.58Å; W447-V468 HydrophobicContact CH2-CG1 3.92Å; W447-V468 HydrophobicContact CH2-CG2 4.1Å; W447-V468 HydrophobicContact CZ2-CB 3.79Å; W447-V468 HydrophobicContact CZ2-CG1 4.45Å; W447-V468 HydrophobicContact CZ2-CG2 3.8Å; W447-V468 HydrophobicContact CZ3-CB 3.61Å; W447-V468 HydrophobicContact CZ3-CG1 4.12Å; V468-G490 VanDerWaalsContact O-CA 3.25Å; V468-G490 WeakPolarHBondContact O-CA 3.42Å; V468-T491 HydrophobicContact CG1-CG2 3.47Å; V468-T491 VanDerWaalsContact CG1-CG2 3.47Å; V468-T491 PolarHBondContact N-O 2.73Å; V468-T491 VanDerWaalsContact N-O 3.1Å; V468-T491 PolarHBondContact O-N 3.45Å; V468-T491 VanDerWaalsContact O-N 3.1Å
469	A	94.8	Very high	80.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.3	-177	0	0	0	0	0	111.7	W241 A245 V446 T467 V488 V489	W241-A469 HydrophobicContact CB-CB 4.21Å; W241-A469 WeakPolarHBondContact O-CB 3.43Å; A245-A469 HydrophobicContact CB-CB 3.88Å; V446-A469 PolarHBondContact N-O 2.91Å; V446-A469 PolarHBondContact O-N 2.89Å; T467-A469 HydrophobicContact CG2-CB 4.37Å; A469-V488 HydrophobicContact CB-CG1 3.95Å; A469-V489 VanDerWaalsContact CA-O 3.3Å; A469-V489 WeakPolarHBondContact CA-O 3.36Å
470	M	94.9	Very high	82.5	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.9	175	-70.1	173.5	171.6	0	0	110.1	A104 M107 K108 V111 T445 V488 V489	A104-M470 HydrophobicContact CB-CE 4.4Å; M107-M470 HydrophobicContact CB-CE 4.33Å; M107-M470 HydrophobicContact CB-CG 4.28Å; M107-M470 HydrophobicContact CB-SD 3.63Å; K108-M470 HydrophobicContact CB-CE 4.26Å; K108-M470 HydrophobicContact CB-SD 4.18Å; K108-M470 PolarHBondContact N-SD 3.1Å; K108-M470 VanDerWaalsContact N-SD 3.44Å; V111-M470 HydrophobicContact CG2-CB 3.63Å; V111-M470 HydrophobicContact CG2-CG 4.47Å; V111-M470 HydrophobicContact CG2-SD 4.02Å; T445-M470 HydrophobicContact CG2-CE 4.02Å; T445-M470 WeakPolarHBondContact OG1-CE 3.49Å; M470-V488 WeakPolarHBondContact O-CA 3.16Å; M470-V488 WeakPolarHBondContact O-CG1 3.41Å; M470-V489 HydrophobicContact CB-CG2 4.07Å; M470-V489 PolarHBondContact N-O 3.26Å; M470-V489 PolarHBondContact O-N 3.21Å
471	P	94.4	Very high	83.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	154.8	174.8	32.5	-35.9	0	0	0	111.6	H443 F473 L485	H443-P471 PolarHBondContact CD2-O 3.03Å; P471-F473 HydrophobicContact CB-CE1 3.69Å; P471-F473 HydrophobicContact CB-CE2 4.43Å; P471-F473 HydrophobicContact CB-CZ 3.63Å; P471-F473 HydrophobicContact CG-CE1 4.08Å; P471-F473 HydrophobicContact CG-CE2 4.04Å; P471-F473 HydrophobicContact CG-CZ 3.47Å; P471-F473 VanDerWaalsContact CG-CZ 3.47Å; P471-L485 HydrophobicContact CB-CD1 3.97Å
472	V	94.2	Very high	84.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.8	177.4	-176.9	0	0	0	0	109.5	V111 A114 E115 F209 L486 G487 V489	V111-V472 HydrophobicContact CG1-CG2 4.5Å; V111-V472 HydrophobicContact CG2-CG2 4.29Å; A114-V472 HydrophobicContact CB-CG1 3.6Å; A114-V472 HydrophobicContact CB-CG2 4.34Å; E115-V472 HydrophobicContact CG-CG1 3.8Å; F209-V472 HydrophobicContact CD2-CG2 4.44Å; F209-V472 HydrophobicContact CE2-CB 4.29Å; F209-V472 HydrophobicContact CE2-CG2 4.17Å; V472-L486 HydrophobicContact CB-CB 4.49Å; V472-L486 HydrophobicContact CG1-CB 4.24Å; V472-L486 HydrophobicContact CG1-CD1 4.16Å; V472-L486 PolarHBondContact O-N 2.85Å; V472-G487 PolarHBondContact N-O 3.48Å; V472-V489 HydrophobicContact CG2-CG1 3.83Å; V472-V489 HydrophobicContact CG2-CG2 4.29Å
473	F	91.1	Very high	85.5	Confident	5 Å²	5	39.1 Å²	39.1	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.2	-169.2	-59.1	-46.2	0	0	0	113.7	E115 K437 V438 H443 P471 T475 L485 L486	E115-F473 WeakPolarHBondContact CG-O 3.05Å; E115-F473 WeakPolarHBondContact OE1-CB 3.31Å; E115-F473 PolarHBondContact OE1-N 3.03Å; K437-F473 HydrophobicContact CG-CZ 4.14Å; V438-F473 HydrophobicContact CB-CD1 3.89Å; V438-F473 HydrophobicContact CB-CE1 4.08Å; V438-F473 HydrophobicContact CB-CG 4.35Å; V438-F473 HydrophobicContact CG1-CB 3.96Å; V438-F473 HydrophobicContact CG1-CD1 3.78Å; V438-F473 HydrophobicContact CG1-CE1 4.47Å; V438-F473 HydrophobicContact CG1-CG 3.94Å; V438-F473 HydrophobicContact CG2-CD1 3.4Å; V438-F473 VanDerWaalsContact CG2-CD1 3.4Å; V438-F473 HydrophobicContact CG2-CE1 3.4Å; V438-F473 HydrophobicContact CG2-CG 4.33Å; V438-F473 HydrophobicContact CG2-CZ 4.34Å; H443-F473 AromaticContact CD2-CD2 3.82Å; H443-F473 AromaticContact CD2-CE2 3.82Å; H443-F473 AromaticContact NE2-CD2 3.63Å; P471-F473 HydrophobicContact CB-CE1 3.69Å; P471-F473 HydrophobicContact CB-CE2 4.43Å; P471-F473 HydrophobicContact CB-CZ 3.63Å; P471-F473 HydrophobicContact CG-CE1 4.08Å; P471-F473 HydrophobicContact CG-CE2 4.04Å; P471-F473 HydrophobicContact CG-CZ 3.47Å; P471-F473 VanDerWaalsContact CG-CZ 3.47Å; F473-T475 PolarHBondContact O-N 3.31Å; F473-L485 HydrophobicContact CD1-CD1 4.01Å; F473-L485 HydrophobicContact CE1-CD1 3.82Å; F473-L486 WeakPolarHBondContact O-CD1 3.19Å
474	S	90.3	Very high	86.2	Confident	11 Å²	11	40.6 Å²	40.6	8%	0.077	19%	0.194	C	C	.	.			trans	-74.8	111.3	169.9	-169.3	0	0	0	0	109.6	H118 K476 T479 I484	H118-S474 PolarHBondContact CD2-OG 3.11Å; H118-S474 PolarHBondContact NE2-OG 3.27Å; S474-K476 VanDerWaalsContact C-N 3.31Å; S474-T479 PolarHBondContact OG-OG1 2.98Å; S474-T479 VanDerWaalsContact OG-OG1 3.12Å; S474-I484 PolarHBondContact N-O 3.24Å
475	T	85.8	Confident	86.5	Confident	27 Å²	27	39.6 Å²	39.6	17%	0.166	19%	0.189	C	C	.	.			trans	-85.1	-1.1	-178.7	53.8	0	0	0	0	114	E115 F473	E115-T475 HydrophobicContact CB-CG2 3.91Å; E115-T475 HydrophobicContact CG-CG2 4.2Å; E115-T475 WeakPolarHBondContact OE2-CG2 3.28Å; F473-T475 PolarHBondContact O-N 3.31Å
476	K	87	Confident	86.8	Confident	45 Å²	45	40 Å²	40	20%	0.196	19%	0.191	C	C	.	.			trans	-62.6	135.4	179.7	-65.6	177.7	178.1	178	0	111	H118 L119 H121 S474 E478 T479 R480	H118-K476 WeakPolarHBondContact O-CE 3.46Å; H118-K476 PolarHBondContact O-NZ 2.96Å; L119-K476 HydrophobicContact CD1-CG 3.89Å; H121-K476 PolarHBondContact O-NZ 3.17Å; S474-K476 VanDerWaalsContact C-N 3.31Å; K476-E478 VanDerWaalsContact C-N 3.27Å; K476-E478 PolarHBondContact O-N 2.96Å; K476-T479 PolarHBondContact O-N 3.48Å; K476-T479 PolarHBondContact O-OG1 3.17Å; K476-R480 PolarHBondContact O-N 3.22Å
477	N	80.8	Confident	86.9	Confident	138 Å²	138	40 Å²	40	74%	0.738	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.4	-176.4	-73.5	-32.5	0	0	0	113.2
478	E	77.5	Confident	87	Confident	181 Å²	181	40 Å²	40	85%	0.846	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.9	-178.8	-59.5	-179.4	174.5	0	0	113.3	K476	K476-E478 VanDerWaalsContact C-N 3.27Å; K476-E478 PolarHBondContact O-N 2.96Å
479	T	76.8	Confident	87.1	Confident	20 Å²	20	40 Å²	40	12%	0.123	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-3.2	-175.7	53.2	0	0	0	0	112.8	S474 K476 N481 R482 G483 I484	S474-T479 PolarHBondContact OG-OG1 2.98Å; S474-T479 VanDerWaalsContact OG-OG1 3.12Å; K476-T479 PolarHBondContact O-N 3.48Å; K476-T479 PolarHBondContact O-OG1 3.17Å; T479-N481 PolarHBondContact O-N 2.88Å; T479-R482 WeakPolarHBondContact O-CB 3.47Å; T479-R482 PolarHBondContact O-N 3.36Å; T479-G483 PolarHBondContact O-N 2.87Å; T479-I484 HydrophobicContact CG2-CD1 3.6Å
480	R	75.2	Confident	87.1	Confident	111 Å²	111	40 Å²	40	42%	0.419	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-50.4	-53	-176.7	-174.6	177.9	178.3	179.9	-4.3	112.8	K476 R482 G483	K476-R480 PolarHBondContact O-N 3.22Å; R480-R482 PolarHBondContact O-N 2.04Å; R480-G483 PolarHBondContact O-N 2.03Å; R480-G483 VanDerWaalsContact O-N 3.17Å
481	N	73	Confident	87	Confident	87 Å²	87	39.6 Å²	39.6	47%	0.465	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-72.9	-13.4	-176.2	-58.9	22.8	0	0	0	113.3	T479 N1052	T479-N481 PolarHBondContact O-N 2.88Å; N481-N1052 VanDerWaalsContact O-CB 3.22Å; N481-N1052 WeakPolarHBondContact O-CB 3.38Å; N481-N1052 PolarHBondContact O-N 3.43Å; N481-N1052 VanDerWaalsContact O-N 3.09Å
482	R	76.8	Confident	86.9	Confident	114 Å²	114	39.9 Å²	39.9	43%	0.43	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-82.9	-22.8	173.5	-69.1	177.1	161.5	142.1	-2.3	112.7	R435 T479 R480 I484 E1055	R435-R482 WeakPolarHBondContact CG-O 3.21Å; T479-R482 WeakPolarHBondContact O-CB 3.47Å; T479-R482 PolarHBondContact O-N 3.36Å; R480-R482 PolarHBondContact O-N 2.04Å; R482-I484 HydrophobicContact CB-CD1 4.42Å; R482-I484 HydrophobicContact CB-CG1 3.95Å; R482-E1055 IonicContact CZ-OE1 3.37Å; R482-E1055 IonicContact NE-OE1 3.95Å; R482-E1055 PolarHBondContact NE-OE1 3.43Å; R482-E1055 IonicContact NE-OE2 2.68Å; R482-E1055 IonicContact NH2-OE1 3.7Å; R482-E1055 PolarHBondContact NH2-OE1 2.88Å
483	G	79.8	Confident	86.7	Confident	3 Å²	3	40 Å²	40	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	56.6	-179.8	0	0	0	0	0	112.9	V438 T479 R480 L485	V438-G483 VanDerWaalsContact CG1-C 3.46Å; V438-G483 WeakPolarHBondContact CG2-O 3.39Å; T479-G483 PolarHBondContact O-N 2.87Å; R480-G483 PolarHBondContact O-N 2.03Å; R480-G483 VanDerWaalsContact O-N 3.17Å; G483-L485 PolarHBondContact O-N 3.36Å
484	I	86.7	Confident	86.5	Confident	65 Å²	65	40 Å²	40	33%	0.333	19%	0.192	S	C	.	.			trans	-80	113.9	-176.2	-54.9	-175.8	0	0	0	111.8	S474 T479 R482 L486	S474-I484 PolarHBondContact N-O 3.24Å; T479-I484 HydrophobicContact CG2-CD1 3.6Å; R482-I484 HydrophobicContact CB-CD1 4.42Å; R482-I484 HydrophobicContact CB-CG1 3.95Å; I484-L486 HydrophobicContact CG2-CD2 4.46Å
485	L	90.5	Very high	86.3	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.4	163	-177.4	73.2	0	0	0	110.1	A212 A246 P471 F473 G483 G487	A212-L485 WeakPolarHBondContact CB-O 3.38Å; A246-L485 HydrophobicContact CB-CD2 3.72Å; P471-L485 HydrophobicContact CB-CD1 3.97Å; F473-L485 HydrophobicContact CD1-CD1 4.01Å; F473-L485 HydrophobicContact CE1-CD1 3.82Å; G483-L485 PolarHBondContact O-N 3.36Å; L485-G487 WeakPolarHBondContact CD1-O 3.19Å
486	L	92.7	Very high	86	Confident	17 Å²	17	41.4 Å²	41.4	9%	0.089	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-32	174.3	-62.5	177	0	0	0	112	H118 S211 A212 V472 F473 I484	H118-L486 HydrophobicContact CB-CD1 3.55Å; H118-L486 VanDerWaalsContact CG-CD1 3.43Å; S211-L486 PolarHBondContact OG-O 3.35Å; A212-L486 WeakPolarHBondContact CB-O 3.47Å; A212-L486 PolarHBondContact N-O 2.9Å; V472-L486 HydrophobicContact CB-CB 4.49Å; V472-L486 HydrophobicContact CG1-CB 4.24Å; V472-L486 HydrophobicContact CG1-CD1 4.16Å; V472-L486 PolarHBondContact O-N 2.85Å; F473-L486 WeakPolarHBondContact O-CD1 3.19Å; I484-L486 HydrophobicContact CG2-CD2 4.46Å
487	G	94.2	Very high	85.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-162.2	-177.6	0	0	0	0	0	111.7	G210 V472 L485	G210-G487 CarbonylContact O-C 3.58Å; G210-G487 WeakPolarHBondContact O-CA 3.5Å; V472-G487 PolarHBondContact N-O 3.48Å; L485-G487 WeakPolarHBondContact CD1-O 3.19Å
488	V	95.8	Very high	86	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.9	178.8	176.4	0	0	0	0	108.2	G210 W241 Y242 A245 A246 A469 M470	G210-V488 PolarHBondContact N-O 3.02Å; G210-V488 PolarHBondContact O-N 3.5Å; W241-V488 HydrophobicContact CE3-CB 4.3Å; W241-V488 HydrophobicContact CE3-CG1 3.73Å; W241-V488 HydrophobicContact CZ3-CB 3.85Å; W241-V488 HydrophobicContact CZ3-CG1 3.73Å; Y242-V488 HydrophobicContact CD1-CG2 4.49Å; Y242-V488 HydrophobicContact CD2-CB 3.74Å; Y242-V488 HydrophobicContact CD2-CG2 3.73Å; Y242-V488 HydrophobicContact CE2-CB 4.03Å; Y242-V488 HydrophobicContact CE2-CG2 3.8Å; Y242-V488 HydrophobicContact CG-CB 4.39Å; Y242-V488 HydrophobicContact CG-CG2 4.07Å; A245-V488 HydrophobicContact CB-CG1 3.61Å; A245-V488 HydrophobicContact CB-CG2 4.11Å; A246-V488 HydrophobicContact CB-CG2 4.25Å; A469-V488 HydrophobicContact CB-CG1 3.95Å; M470-V488 WeakPolarHBondContact O-CA 3.16Å; M470-V488 WeakPolarHBondContact O-CG1 3.41Å
489	V	96.4	Very high	86.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	147.3	168.3	-66.4	0	0	0	0	110.1	L110 V111 Y208 F209 A469 M470 V472	L110-V489 HydrophobicContact CB-CB 4.32Å; L110-V489 HydrophobicContact CB-CG1 4.06Å; L110-V489 HydrophobicContact CB-CG2 4.35Å; V111-V489 HydrophobicContact CG2-CG2 3.5Å; V111-V489 VanDerWaalsContact CG2-CG2 3.5Å; Y208-V489 VanDerWaalsContact O-CA 3.3Å; Y208-V489 WeakPolarHBondContact O-CA 3.4Å; F209-V489 HydrophobicContact CB-CG1 4.22Å; F209-V489 HydrophobicContact CD2-CG1 3.77Å; F209-V489 HydrophobicContact CG-CG1 4.46Å; A469-V489 VanDerWaalsContact CA-O 3.3Å; A469-V489 WeakPolarHBondContact CA-O 3.36Å; M470-V489 HydrophobicContact CB-CG2 4.07Å; M470-V489 PolarHBondContact N-O 3.26Å; M470-V489 PolarHBondContact O-N 3.21Å; V472-V489 HydrophobicContact CG2-CG1 3.83Å; V472-V489 HydrophobicContact CG2-CG2 4.29Å
490	G	95.1	Very high	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	158.1	176.9	0	0	0	0	0	113.8	Y208 V468	Y208-G490 PolarHBondContact N-O 3.17Å; Y208-G490 PolarHBondContact O-N 3.19Å; V468-G490 VanDerWaalsContact O-CA 3.25Å; V468-G490 WeakPolarHBondContact O-CA 3.42Å
491	T	93.7	Very high	86.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.9	166.6	-170.2	0	0	0	0	110.9	M107 L204 W206 T467 V468	M107-T491 VanDerWaalsContact CE-CB 3.47Å; M107-T491 HydrophobicContact CE-CG2 3.44Å; M107-T491 VanDerWaalsContact CE-CG2 3.44Å; M107-T491 HydrophobicContact CG-CG2 3.93Å; M107-T491 HydrophobicContact SD-CG2 3.69Å; M107-T491 PolarHBondContact SD-N 3.01Å; M107-T491 VanDerWaalsContact SD-N 3.43Å; L204-T491 HydrophobicContact CD2-CG2 4.05Å; L204-T491 WeakPolarHBondContact CD2-OG1 3.45Å; W206-T491 WeakPolarHBondContact O-CA 3.4Å; W206-T491 VanDerWaalsContact O-CB 3.28Å; W206-T491 WeakPolarHBondContact O-CB 3.34Å; W206-T491 PolarHBondContact O-OG1 2.94Å; T467-T491 WeakPolarHBondContact CA-O 3.34Å; V468-T491 HydrophobicContact CG1-CG2 3.47Å; V468-T491 VanDerWaalsContact CG1-CG2 3.47Å; V468-T491 PolarHBondContact N-O 2.73Å; V468-T491 VanDerWaalsContact N-O 3.1Å; V468-T491 PolarHBondContact O-N 3.45Å; V468-T491 VanDerWaalsContact O-N 3.1Å
492	D	90.9	Very high	87.2	Confident	6 Å²	6	23.6 Å²	23.6	3%	0.032	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	-177	-61.8	-15.9	0	0	0	110.4	W206 Y208 Y451 M465 T467	W206-D492 HydrophobicContact CB-CB 4.46Å; W206-D492 PolarHBondContact O-N 3.01Å; Y208-D492 WeakPolarHBondContact CE1-OD1 3.47Å; Y208-D492 PolarHBondContact OH-OD1 2.75Å; Y451-D492 PolarHBondContact OH-OD1 3.06Å; M465-D492 HydrophobicContact CB-CB 4.34Å; M465-D492 HydrophobicContact SD-CB 3.74Å; T467-D492 PolarHBondContact OG1-OD1 2.84Å
493	V	90	Very high	87.4	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.1	176.1	-177.9	0	0	0	0	108	F100 K103 W447 M465 T466 L498	F100-V493 HydrophobicContact CE1-CG1 4.46Å; K103-V493 HydrophobicContact CB-CG2 4.34Å; K103-V493 HydrophobicContact CD-CG2 4.27Å; K103-V493 HydrophobicContact CG-CG2 3.88Å; W447-V493 HydrophobicContact CZ3-CG2 4.27Å; M465-V493 WeakPolarHBondContact CA-O 3.42Å; T466-V493 HydrophobicContact CG2-CB 4.19Å; T466-V493 PolarHBondContact N-O 2.81Å; T466-V493 PolarHBondContact O-N 3.18Å; V493-L498 HydrophobicContact CG1-CD2 4.2Å
494	P	87.6	Confident	87.5	Confident	5 Å²	5	20.1 Å²	20.1	3%	0.032	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.5	176.1	-22.6	33.8	0	0	0	112.1	I205 V463 S496 E497	I205-P494 HydrophobicContact CD1-CG 3.36Å; I205-P494 HydrophobicContact CG1-CG 3.92Å; V463-P494 HydrophobicContact CG1-CB 4.03Å; P494-S496 WeakPolarHBondContact CB-OG 3.15Å; P494-S496 PolarHBondContact O-N 2.97Å; P494-E497 WeakPolarHBondContact O-CB 3.37Å; P494-E497 PolarHBondContact O-N 2.74Å
495	V	85.9	Confident	87.4	Confident	8 Å²	8	17.2 Å²	17.2	5%	0.048	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-27.8	171.6	173.3	0	0	0	0	111.2	L464 E497 L498 L499 L523 T524	L464-V495 HydrophobicContact CB-CB 4.12Å; L464-V495 HydrophobicContact CB-CG2 3.85Å; L464-V495 PolarHBondContact O-N 3.35Å; V495-E497 VanDerWaalsContact C-N 3.3Å; V495-E497 PolarHBondContact O-N 3.32Å; V495-L498 VanDerWaalsContact O-CB 3.31Å; V495-L498 WeakPolarHBondContact O-CB 3.33Å; V495-L498 PolarHBondContact O-N 2.87Å; V495-L498 VanDerWaalsContact O-N 3.15Å; V495-L499 HydrophobicContact CG1-CD1 4.44Å; V495-L499 WeakPolarHBondContact O-CG 3.12Å; V495-L499 PolarHBondContact O-N 2.73Å; V495-L523 HydrophobicContact CG2-CD1 4.34Å; V495-T524 WeakPolarHBondContact CG1-OG1 3.31Å
496	S	80.4	Confident	87.1	Confident	61 Å²	61	18.3 Å²	18.3	43%	0.427	10%	0.097	S	C	.	.	H	α-helix	trans	-63.9	-29.7	172	53.8	0	0	0	0	113.7	P494 L499 K500	P494-S496 WeakPolarHBondContact CB-OG 3.15Å; P494-S496 PolarHBondContact O-N 2.97Å; S496-L499 PolarHBondContact O-N 2.7Å; S496-K500 WeakPolarHBondContact O-CG 3.33Å; S496-K500 PolarHBondContact O-N 3.18Å
497	E	82.6	Confident	86.7	Confident	28 Å²	28	17.5 Å²	17.5	13%	0.131	9%	0.093	C	C	.	.	H	α-helix	trans	-67	-39.5	172.4	-167	-178.3	177.1	0	0	110.5	M99 K103 S203 P494 V495 L499 K500	M99-E497 HydrophobicContact SD-CG 4.29Å; K103-E497 IonicContact NZ-OE1 2.77Å; S203-E497 VanDerWaalsContact CB-OE1 3.24Å; S203-E497 WeakPolarHBondContact CB-OE1 3.34Å; S203-E497 PolarHBondContact OG-OE1 3.31Å; P494-E497 WeakPolarHBondContact O-CB 3.37Å; P494-E497 PolarHBondContact O-N 2.74Å; V495-E497 VanDerWaalsContact C-N 3.3Å; V495-E497 PolarHBondContact O-N 3.32Å; E497-L499 VanDerWaalsContact C-N 3.35Å; E497-L499 PolarHBondContact O-N 3.13Å; E497-K500 PolarHBondContact O-N 2.79Å
498	L	83.9	Confident	86.3	Confident	3 Å²	3	17.5 Å²	17.5	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-44.7	174	-48.1	-178.5	0	0	0	111	M99 F100 V493 V495 K500 T501 L523	M99-L498 HydrophobicContact CE-CD2 3.24Å; M99-L498 HydrophobicContact SD-CD2 4.11Å; F100-L498 HydrophobicContact CE1-CD2 3.71Å; F100-L498 HydrophobicContact CE2-CD2 4.37Å; F100-L498 HydrophobicContact CZ-CD1 4.32Å; F100-L498 HydrophobicContact CZ-CD2 3.47Å; F100-L498 VanDerWaalsContact CZ-CD2 3.47Å; V493-L498 HydrophobicContact CG1-CD2 4.2Å; V495-L498 VanDerWaalsContact O-CB 3.31Å; V495-L498 WeakPolarHBondContact O-CB 3.33Å; V495-L498 PolarHBondContact O-N 2.87Å; V495-L498 VanDerWaalsContact O-N 3.15Å; L498-K500 PolarHBondContact O-N 2.89Å; L498-T501 PolarHBondContact O-N 3.18Å; L498-T501 VanDerWaalsContact O-N 3.12Å; L498-T501 PolarHBondContact O-OG1 3.44Å; L498-L523 HydrophobicContact CD1-CD2 3.71Å; L498-L523 HydrophobicContact CD1-CG 4.07Å
499	L	81.3	Confident	85.9	Confident	22 Å²	22	17.8 Å²	17.8	12%	0.115	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-36.6	179.3	-68	170.7	0	0	0	112.5	V495 S496 E497 T501 I502 D753	V495-L499 HydrophobicContact CG1-CD1 4.44Å; V495-L499 WeakPolarHBondContact O-CG 3.12Å; V495-L499 PolarHBondContact O-N 2.73Å; S496-L499 PolarHBondContact O-N 2.7Å; E497-L499 VanDerWaalsContact C-N 3.35Å; E497-L499 PolarHBondContact O-N 3.13Å; L499-T501 PolarHBondContact O-N 3.19Å; L499-I502 HydrophobicContact CD2-CD1 4.18Å; L499-I502 WeakPolarHBondContact O-CB 3.2Å; L499-I502 PolarHBondContact O-N 2.84Å; L499-D753 WeakPolarHBondContact CD1-OD1 3.38Å; L499-D753 WeakPolarHBondContact CD2-OD1 3.47Å
500	K	80.3	Confident	85.5	Confident	112 Å²	112	18.6 Å²	18.6	49%	0.487	10%	0.098	S	C	.	.	H	α-helix	trans	-58.7	-28.3	172.7	-74	177.7	-180	180	0	113.2	S496 E497 L498 I502 D648	S496-K500 WeakPolarHBondContact O-CG 3.33Å; S496-K500 PolarHBondContact O-N 3.18Å; E497-K500 PolarHBondContact O-N 2.79Å; L498-K500 PolarHBondContact O-N 2.89Å; K500-I502 PolarHBondContact O-N 3.04Å; K500-D648 IonicContact NZ-OD2 3.07Å; K500-D648 PolarHBondContact NZ-OD2 3.23Å
501	T	81.8	Confident	85.2	Confident	36 Å²	36	19 Å²	19	22%	0.221	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.9	176.2	74	0	0	0	0	114.1	M96 M99 L498 L499 P503	M96-T501 VanDerWaalsContact CE-OG1 3.22Å; M96-T501 WeakPolarHBondContact CE-OG1 3.25Å; M99-T501 HydrophobicContact SD-CG2 4.17Å; L498-T501 PolarHBondContact O-N 3.18Å; L498-T501 VanDerWaalsContact O-N 3.12Å; L498-T501 PolarHBondContact O-OG1 3.44Å; L499-T501 PolarHBondContact O-N 3.19Å; T501-P503 WeakPolarHBondContact O-CD 3.36Å
502	I	84.3	Confident	85	Confident	7 Å²	7	19.6 Å²	19.6	4%	0.036	11%	0.105	C	C	.	.	S	Bend	trans	-103.2	105.8	-171.7	-61.8	163.7	0	0	0	109.9	M96 L499 K500 K504 L507 A513	M96-I502 HydrophobicContact CE-CD1 3.66Å; M96-I502 HydrophobicContact CE-CG1 3.64Å; L499-I502 HydrophobicContact CD2-CD1 4.18Å; L499-I502 WeakPolarHBondContact O-CB 3.2Å; L499-I502 PolarHBondContact O-N 2.84Å; K500-I502 PolarHBondContact O-N 3.04Å; I502-K504 HydrophobicContact CG2-CD 4.41Å; I502-K504 PolarHBondContact O-N 3.08Å; I502-L507 HydrophobicContact CG2-CD1 3.68Å; I502-L507 HydrophobicContact CG2-CG 4.47Å; I502-A513 HydrophobicContact CD1-CB 3.67Å; I502-A513 HydrophobicContact CG1-CB 4.2Å; I502-A513 HydrophobicContact CG2-CB 3.65Å
503	P	81.6	Confident	85.1	Confident	29 Å²	29	19.4 Å²	19.4	19%	0.188	10%	0.104	C	C	.	.			trans	-74	95.5	-176.4	29.4	-33.6	0	0	0	111.5	L92 T501 Y505 K506	L92-P503 VanDerWaalsContact CD2-CD 3.47Å; L92-P503 HydrophobicContact CD2-CG 4.19Å; T501-P503 WeakPolarHBondContact O-CD 3.36Å; P503-Y505 VanDerWaalsContact C-N 3.31Å; P503-Y505 HydrophobicContact CB-CD1 3.97Å; P503-Y505 HydrophobicContact CB-CE1 3.62Å; P503-Y505 PolarHBondContact O-N 2.8Å; P503-K506 HydrophobicContact CB-CB 4.34Å; P503-K506 HydrophobicContact CB-CD 4.03Å; P503-K506 HydrophobicContact CB-CG 4.42Å; P503-K506 HydrophobicContact CG-CB 4.16Å; P503-K506 HydrophobicContact CG-CD 3.84Å; P503-K506 HydrophobicContact CG-CG 4.44Å; P503-K506 WeakPolarHBondContact O-CB 3.39Å; P503-K506 PolarHBondContact O-N 3.41Å
504	K	81.7	Confident	85.2	Confident	15 Å²	15	19.4 Å²	19.4	7%	0.065	10%	0.104	C	C	.	.	H	α-helix	trans	-56.7	-38.4	-175.6	-62.5	-59	-161.3	174.6	0	113.8	I502 K506 L507 G508 W642 A752 D753	I502-K504 HydrophobicContact CG2-CD 4.41Å; I502-K504 PolarHBondContact O-N 3.08Å; K504-K506 PolarHBondContact O-N 3.4Å; K504-K506 VanDerWaalsContact O-N 3.13Å; K504-L507 HydrophobicContact CD-CD1 4.04Å; K504-L507 WeakPolarHBondContact O-CB 3.37Å; K504-L507 PolarHBondContact O-N 2.03Å; K504-G508 PolarHBondContact O-N 3.36Å; K504-W642 HydrophobicContact CB-CH2 4.14Å; K504-W642 HydrophobicContact CB-CZ2 3.8Å; K504-A752 WeakPolarHBondContact CE-O 3.42Å; K504-D753 PolarHBondContact NZ-O 2.83Å; K504-D753 IonicContact NZ-OD1 2.62Å; K504-D753 PolarHBondContact NZ-OD1 2.93Å
505	Y	84.3	Confident	85.6	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-57	-29.8	175.6	76.5	-83.1	0	0	0	113.6	P503 F617 D676 L679 R720	P503-Y505 VanDerWaalsContact C-N 3.31Å; P503-Y505 HydrophobicContact CB-CD1 3.97Å; P503-Y505 HydrophobicContact CB-CE1 3.62Å; P503-Y505 PolarHBondContact O-N 2.8Å; Y505-F617 HydrophobicContact CD2-CE2 4.27Å; Y505-D676 WeakPolarHBondContact CE1-OD2 3.45Å; Y505-D676 VanDerWaalsContact OH-CG 3.26Å; Y505-D676 PolarHBondContact OH-OD1 3.44Å; Y505-D676 PolarHBondContact OH-OD2 2.97Å; Y505-L679 HydrophobicContact CD1-CB 4.29Å; Y505-L679 HydrophobicContact CD1-CD1 3.73Å; Y505-L679 HydrophobicContact CD1-CD2 4Å; Y505-L679 HydrophobicContact CD1-CG 4.21Å; Y505-L679 HydrophobicContact CD2-CD1 4.11Å; Y505-L679 HydrophobicContact CE1-CB 3.71Å; Y505-L679 HydrophobicContact CE1-CD1 4.05Å; Y505-L679 HydrophobicContact CE1-CD2 4Å; Y505-L679 HydrophobicContact CE1-CG 4.12Å; Y505-L679 HydrophobicContact CE2-CB 4.33Å; Y505-L679 HydrophobicContact CE2-CD1 4.41Å; Y505-L679 HydrophobicContact CG-CD1 3.75Å; Y505-L679 PolarHBondContact OH-N 3.13Å; Y505-R720 PolarHBondContact O-NE 3.28Å; Y505-R720 PolarHBondContact O-NH2 2.95Å
506	K	84.6	Confident	86	Confident	31 Å²	31	19 Å²	19	14%	0.135	10%	0.102	C	C	.	.	H	α-helix	trans	-79.5	-24.1	175.6	-74.9	169.8	166.7	148.2	0	113	I83 P503 K504 E678	I83-K506 WeakPolarHBondContact CD1-O 3.49Å; P503-K506 HydrophobicContact CB-CB 4.34Å; P503-K506 HydrophobicContact CB-CD 4.03Å; P503-K506 HydrophobicContact CB-CG 4.42Å; P503-K506 HydrophobicContact CG-CB 4.16Å; P503-K506 HydrophobicContact CG-CD 3.84Å; P503-K506 HydrophobicContact CG-CG 4.44Å; P503-K506 WeakPolarHBondContact O-CB 3.39Å; P503-K506 PolarHBondContact O-N 3.41Å; K504-K506 PolarHBondContact O-N 3.4Å; K504-K506 VanDerWaalsContact O-N 3.13Å; K506-E678 WeakPolarHBondContact CE-OE2 3.21Å; K506-E678 IonicContact NZ-OE2 2.94Å; K506-E678 PolarHBondContact NZ-OE2 3.31Å
507	L	85.2	Confident	86.6	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-76	-31.8	175	-56.7	-176.4	0	0	0	112.4	L88 I502 K504 A513 V607 L609 G614	L88-L507 HydrophobicContact CD2-CD2 3.94Å; I502-L507 HydrophobicContact CG2-CD1 3.68Å; I502-L507 HydrophobicContact CG2-CG 4.47Å; K504-L507 HydrophobicContact CD-CD1 4.04Å; K504-L507 WeakPolarHBondContact O-CB 3.37Å; K504-L507 PolarHBondContact O-N 2.03Å; L507-A513 HydrophobicContact CD1-CB 4.32Å; L507-V607 HydrophobicContact CD2-CG1 3.53Å; L507-V607 HydrophobicContact CD2-CG2 4.33Å; L507-L609 HydrophobicContact CB-CD2 4.45Å; L507-L609 HydrophobicContact CD2-CD2 4.19Å; L507-L609 WeakPolarHBondContact O-CD2 3.27Å; L507-G614 WeakPolarHBondContact O-CA 3.23Å
508	G	84.2	Confident	86.9	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.			trans	83	-174.8	-176.1	0	0	0	0	0	113.2	K504 H510 G511 F755	K504-G508 PolarHBondContact O-N 3.36Å; G508-H510 PolarHBondContact O-N 2.87Å; G508-G511 PolarHBondContact O-N 3.45Å; G508-G511 VanDerWaalsContact O-N 3.15Å; G508-F755 VanDerWaalsContact O-CE2 3.32Å; G508-F755 WeakPolarHBondContact O-CE2 3.36Å
509	I	87.6	Confident	87.2	Confident	6 Å²	6	16.2 Å²	16.2	3%	0.031	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.9	-157.6	-61.5	153.6	0	0	0	112.8	H613 F755 Y759 K760 A763 I802	I509-H613 PolarHBondContact N-O 3.43Å; I509-H613 VanDerWaalsContact N-O 3.13Å; I509-F755 HydrophobicContact CG2-CB 4.35Å; I509-F755 HydrophobicContact CG2-CG 4.45Å; I509-F755 WeakPolarHBondContact O-CD2 3.21Å; I509-Y759 HydrophobicContact CD1-CD2 4.16Å; I509-Y759 HydrophobicContact CD1-CE2 3.48Å; I509-Y759 VanDerWaalsContact CD1-CE2 3.48Å; I509-Y759 HydrophobicContact CG1-CD2 4.23Å; I509-Y759 HydrophobicContact CG1-CE2 3.75Å; I509-Y759 HydrophobicContact CG2-CD2 4.05Å; I509-Y759 HydrophobicContact CG2-CE2 4.42Å; I509-K760 HydrophobicContact CG2-CB 4.43Å; I509-K760 HydrophobicContact CG2-CG 3.96Å; I509-A763 HydrophobicContact CD1-CB 3.92Å; I509-A763 HydrophobicContact CG2-CB 4.05Å; I509-I802 HydrophobicContact CD1-CB 3.87Å; I509-I802 HydrophobicContact CD1-CD1 4.21Å; I509-I802 HydrophobicContact CD1-CG2 3.94Å
510	H	87.8	Confident	87.7	Confident	17 Å²	17	15.1 Å²	15.1	8%	0.079	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	3	177.4	-60.3	-88.5	0	0	0	112.7	G508 Y512 L589 K760 E764	G508-H510 PolarHBondContact O-N 2.87Å; H510-Y512 WeakPolarHBondContact O-CD1 3.34Å; H510-L589 HydrophobicContact CB-CD1 4.17Å; H510-K760 PolarHBondContact CE1-O 3.28Å; H510-K760 PolarHBondContact NE2-O 3.27Å; H510-K760 VanDerWaalsContact NE2-O 3.17Å; H510-E764 IonicContact CD2-OE1 3.77Å; H510-E764 IonicContact CE1-OE1 2.83Å; H510-E764 IonicContact NE2-OE1 3.6Å; H510-E764 PolarHBondContact NE2-OE1 3.08Å
511	G	89.3	Confident	88.2	Confident	9 Å²	9	10.4 Å²	10.4	9%	0.093	6%	0.057	C	C	.	.			trans	-82.6	137.4	-176.8	0	0	0	0	0	111.6	G508 A608	G508-G511 PolarHBondContact O-N 3.45Å; G508-G511 VanDerWaalsContact O-N 3.15Å; G511-A608 WeakPolarHBondContact CA-O 2.96Å
512	Y	90.3	Very high	88.7	Confident	11 Å²	11	9 Å²	9	4%	0.043	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.8	177.5	54.9	-80.9	0	0	0	110.7	H510 F514 H525 P526 E552 K578 Y593 V607 A608	H510-Y512 WeakPolarHBondContact O-CD1 3.34Å; Y512-F514 HydrophobicContact CD2-CD1 4.01Å; Y512-F514 AromaticContact CE2-CD1 3.95Å; Y512-F514 HydrophobicContact CE2-CD1 3.95Å; Y512-F514 HydrophobicContact CE2-CE1 4.41Å; Y512-H525 AromaticContact CD2-NE2 3.94Å; Y512-H525 AromaticContact CE2-NE2 3.29Å; Y512-H525 VanDerWaalsContact CE2-NE2 3.29Å; Y512-H525 WeakPolarHBondContact CE2-NE2 3.15Å; Y512-P526 HydrophobicContact CD2-CG 3.94Å; Y512-P526 HydrophobicContact CG-CG 3.85Å; Y512-E552 WeakPolarHBondContact CE2-OE1 3.33Å; Y512-E552 PolarHBondContact OH-OE1 3.01Å; Y512-K578 VanDerWaalsContact CZ-NZ 3.3Å; Y512-K578 WeakPolarHBondContact OH-CE 3.41Å; Y512-K578 PolarHBondContact OH-NZ 2.93Å; Y512-Y593 PolarHBondContact OH-OH 2.55Å; Y512-V607 WeakPolarHBondContact O-CA 3.45Å; Y512-A608 HydrophobicContact CD1-CB 4.07Å; Y512-A608 HydrophobicContact CD2-CB 4.33Å; Y512-A608 HydrophobicContact CE1-CB 3.64Å; Y512-A608 HydrophobicContact CE2-CB 3.93Å; Y512-A608 HydrophobicContact CG-CB 4.39Å; Y512-A608 PolarHBondContact N-O 3.18Å; Y512-A608 PolarHBondContact O-N 3.22Å
513	A	91.9	Very high	89	Confident	2 Å²	2	8.7 Å²	8.7	2%	0.017	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.5	168.1	0	0	0	0	0	108.5	I502 L507 G606 V607	I502-A513 HydrophobicContact CD1-CB 3.67Å; I502-A513 HydrophobicContact CG1-CB 4.2Å; I502-A513 HydrophobicContact CG2-CB 3.65Å; L507-A513 HydrophobicContact CD1-CB 4.32Å; A513-G606 CarbonylContact C-O 3.58Å; A513-G606 VanDerWaalsContact CA-O 3.29Å; A513-G606 WeakPolarHBondContact CA-O 3.28Å; A513-V607 HydrophobicContact CB-CG2 3.83Å
514	F	93.5	Very high	89.4	Confident	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.8	178.5	62	-84	0	0	0	109.2	Y512 I516 T524 H525 L548 L560 M564 Y593 G606	Y512-F514 HydrophobicContact CD2-CD1 4.01Å; Y512-F514 AromaticContact CE2-CD1 3.95Å; Y512-F514 HydrophobicContact CE2-CD1 3.95Å; Y512-F514 HydrophobicContact CE2-CE1 4.41Å; F514-I516 HydrophobicContact CD2-CG2 4.34Å; F514-T524 CarbonylContact C-O 3.6Å; F514-T524 WeakPolarHBondContact CA-O 3.32Å; F514-T524 VanDerWaalsContact CB-O 3.23Å; F514-T524 WeakPolarHBondContact CB-O 2.99Å; F514-H525 HydrophobicContact CB-CB 4.31Å; F514-H525 AromaticContact CG-CD2 3.91Å; F514-L548 HydrophobicContact CD2-CD1 3.98Å; F514-L548 HydrophobicContact CE2-CD1 3.87Å; F514-L548 HydrophobicContact CE2-CD2 4.08Å; F514-L560 HydrophobicContact CZ-CD2 4.33Å; F514-M564 HydrophobicContact CD2-CE 4.32Å; F514-M564 HydrophobicContact CE2-CE 3.7Å; F514-M564 HydrophobicContact CE2-SD 3.67Å; F514-M564 HydrophobicContact CZ-CE 4.32Å; F514-M564 HydrophobicContact CZ-SD 3.99Å; F514-Y593 AromaticContact CE1-CD1 3.81Å; F514-Y593 HydrophobicContact CE1-CD1 3.81Å; F514-Y593 HydrophobicContact CE1-CE1 4.08Å; F514-Y593 AromaticContact CZ-CD1 3.89Å; F514-Y593 HydrophobicContact CZ-CD1 3.89Å; F514-Y593 HydrophobicContact CZ-CE1 4.31Å; F514-G606 PolarHBondContact N-O 3.1Å; F514-G606 PolarHBondContact O-N 2.81Å; F514-G606 VanDerWaalsContact O-O 3.1Å
515	A	94.1	Very high	89.8	Confident	4 Å²	4	7.6 Å²	7.6	3%	0.033	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.4	177.5	0	0	0	0	0	110.4	L523 T524 S604 L605	A515-L523 HydrophobicContact CB-CB 4.19Å; A515-L523 HydrophobicContact CB-CD2 4.17Å; A515-L523 WeakPolarHBondContact O-CB 3.22Å; A515-L523 PolarHBondContact O-N 3.11Å; A515-T524 HydrophobicContact CB-CG2 4.09Å; A515-T524 PolarHBondContact N-O 3.37Å; A515-T524 PolarHBondContact O-N 2.69Å; A515-S604 WeakPolarHBondContact CA-O 3.38Å; A515-L605 HydrophobicContact CB-CD1 4.43Å
516	I	94.8	Very high	89.9	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	158.9	179.6	73.9	175.5	0	0	0	111.9	F514 Y521 L548 M564 V565 F603 S604	F514-I516 HydrophobicContact CD2-CG2 4.34Å; I516-Y521 CarbonylContact C-O 3.59Å; I516-Y521 WeakPolarHBondContact CA-O 3.42Å; I516-L548 HydrophobicContact CD1-CD2 4.46Å; I516-L548 HydrophobicContact CG2-CB 4.35Å; I516-L548 HydrophobicContact CG2-CD1 4.36Å; I516-L548 HydrophobicContact CG2-CD2 4.34Å; I516-M564 HydrophobicContact CD1-CB 3.42Å; I516-M564 VanDerWaalsContact CD1-CB 3.42Å; I516-M564 HydrophobicContact CD1-CE 4.3Å; I516-M564 HydrophobicContact CD1-SD 4.49Å; I516-M564 HydrophobicContact CG1-CB 4.2Å; I516-M564 HydrophobicContact CG1-CE 4.19Å; I516-V565 HydrophobicContact CD1-CG2 4.18Å; I516-F603 VanDerWaalsContact O-CA 3.3Å; I516-F603 WeakPolarHBondContact O-CA 3.36Å; I516-S604 PolarHBondContact N-O 2.96Å; I516-S604 PolarHBondContact O-N 2.91Å
517	T	92.9	Very high	89.9	Confident	5 Å²	5	10.8 Å²	10.8	3%	0.031	6%	0.061	C	C	.	.			trans	-83	174	172.2	72.7	0	0	0	0	112.5	E449 N519 G520 Y521 F603	E449-T517 HydrophobicContact CB-CG2 4.11Å; T517-N519 PolarHBondContact O-N 3.27Å; T517-N519 PolarHBondContact OG1-N 3.15Å; T517-G520 PolarHBondContact O-N 2.99Å; T517-G520 VanDerWaalsContact O-N 3.1Å; T517-Y521 PolarHBondContact N-O 3.3Å; T517-Y521 PolarHBondContact OG1-N 3.19Å; T517-F603 HydrophobicContact CG2-CD1 4.26Å; T517-F603 HydrophobicContact CG2-CE1 4.08Å
518	N	89.9	Confident	90	Very high	18 Å²	18	11.8 Å²	11.8	10%	0.096	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.3	170.9	61.6	-63.9	0	0	0	114.2	V565 P602 R1039	N518-V565 WeakPolarHBondContact O-CG1 3.46Å; N518-P602 HydrophobicContact CB-CB 4.28Å; N518-P602 PolarHBondContact N-O 3.13Å; N518-R1039 HydrophobicContact CB-CB 4.28Å; N518-R1039 WeakPolarHBondContact CB-O 3.38Å; N518-R1039 PolarHBondContact ND2-O 3.02Å; N518-R1039 PolarHBondContact O-N 3.39Å
519	N	89.6	Confident	89.8	Confident	11 Å²	11	17.1 Å²	17.1	6%	0.059	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.4	175.5	-68.4	-24.6	0	0	0	113	D284 T517 Y521 R561	D284-N519 PolarHBondContact OD1-ND2 2.93Å; D284-N519 PolarHBondContact OD1-OD1 2.89Å; T517-N519 PolarHBondContact O-N 3.27Å; T517-N519 PolarHBondContact OG1-N 3.15Å; N519-Y521 HydrophobicContact CB-CD2 4.15Å; N519-Y521 HydrophobicContact CB-CE2 3.99Å; N519-R561 PolarHBondContact O-NH2 3.48Å
520	G	91.1	Very high	89.2	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	92	-5.1	-180	0	0	0	0	0	114.7	T517 L548	T517-G520 PolarHBondContact O-N 2.99Å; T517-G520 VanDerWaalsContact O-N 3.1Å; G520-L548 PolarHBondContact O-N 3.36Å
521	Y	92.3	Very high	88.6	Confident	13 Å²	13	18.8 Å²	18.8	5%	0.051	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-67.3	143	178.1	-55	-38.6	0	0	0	112.1	D283 Q309 D311 I516 T517 N519 L523 S545 V546	D283-Y521 HydrophobicContact CB-CE2 3.93Å; Q309-Y521 PolarHBondContact NE2-OH 3.03Å; D311-Y521 VanDerWaalsContact CG-OH 3.26Å; D311-Y521 PolarHBondContact OD1-OH 2.96Å; I516-Y521 CarbonylContact C-O 3.59Å; I516-Y521 WeakPolarHBondContact CA-O 3.42Å; T517-Y521 PolarHBondContact N-O 3.3Å; T517-Y521 PolarHBondContact OG1-N 3.19Å; N519-Y521 HydrophobicContact CB-CD2 4.15Å; N519-Y521 HydrophobicContact CB-CE2 3.99Å; Y521-L523 PolarHBondContact O-N 3.21Å; Y521-S545 WeakPolarHBondContact CD1-O 3.43Å; Y521-S545 WeakPolarHBondContact CE1-O 3.06Å; Y521-V546 WeakPolarHBondContact CA-O 3.34Å
522	I	92.7	Very high	87.3	Confident	5 Å²	5	19.1 Å²	19.1	3%	0.026	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121	-178.3	-62.8	175.9	0	0	0	110.2	T524 H525 L528 V546 V551	I522-T524 VanDerWaalsContact CG2-C 3.45Å; I522-H525 HydrophobicContact CD1-CB 4.17Å; I522-H525 HydrophobicContact CG2-CB 3.45Å; I522-H525 VanDerWaalsContact CG2-CB 3.45Å; I522-L528 HydrophobicContact CG2-CB 4.49Å; I522-L528 HydrophobicContact CG2-CD2 3.98Å; I522-V546 HydrophobicContact CD1-CG1 4.21Å; I522-V546 PolarHBondContact N-O 2.87Å; I522-V551 HydrophobicContact CD1-CB 3.98Å; I522-V551 HydrophobicContact CD1-CG2 3.53Å
523	L	90.6	Very high	85.8	Confident	1 Å²	1	20 Å²	20	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-39.4	167.2	178.7	65.5	0	0	0	111	A450 T466 V495 L498 A515 Y521 F603	A450-L523 HydrophobicContact CB-CD1 4.23Å; T466-L523 HydrophobicContact CG2-CD1 3.93Å; V495-L523 HydrophobicContact CG2-CD1 4.34Å; L498-L523 HydrophobicContact CD1-CD2 3.71Å; L498-L523 HydrophobicContact CD1-CG 4.07Å; A515-L523 HydrophobicContact CB-CB 4.19Å; A515-L523 HydrophobicContact CB-CD2 4.17Å; A515-L523 WeakPolarHBondContact O-CB 3.22Å; A515-L523 PolarHBondContact O-N 3.11Å; Y521-L523 PolarHBondContact O-N 3.21Å; L523-F603 HydrophobicContact CD1-CZ 4.48Å; L523-F603 HydrophobicContact CD2-CD1 4.08Å; L523-F603 HydrophobicContact CD2-CD2 4.01Å; L523-F603 HydrophobicContact CD2-CE1 4.1Å; L523-F603 HydrophobicContact CD2-CE2 4.02Å; L523-F603 HydrophobicContact CD2-CG 4.04Å; L523-F603 HydrophobicContact CD2-CZ 4.05Å
524	T	89.4	Confident	83.6	Confident	12 Å²	12	26.1 Å²	26.1	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	135.9	173.7	-171.9	0	0	0	0	111	V495 F514 A515 I522	V495-T524 WeakPolarHBondContact CG1-OG1 3.31Å; F514-T524 CarbonylContact C-O 3.6Å; F514-T524 WeakPolarHBondContact CA-O 3.32Å; F514-T524 VanDerWaalsContact CB-O 3.23Å; F514-T524 WeakPolarHBondContact CB-O 2.99Å; A515-T524 HydrophobicContact CB-CG2 4.09Å; A515-T524 PolarHBondContact N-O 3.37Å; A515-T524 PolarHBondContact O-N 2.69Å; I522-T524 VanDerWaalsContact CG2-C 3.45Å
525	H	89.9	Confident	81.3	Confident	9 Å²	9	29.7 Å²	29.7	4%	0.042	18%	0.178	C	C	.	.			trans	-160.7	142.7	174.5	-170.1	-89.9	0	0	0	109.7	Y512 F514 I522 D527 L528 V551 E552	Y512-H525 AromaticContact CD2-NE2 3.94Å; Y512-H525 AromaticContact CE2-NE2 3.29Å; Y512-H525 VanDerWaalsContact CE2-NE2 3.29Å; Y512-H525 WeakPolarHBondContact CE2-NE2 3.15Å; F514-H525 HydrophobicContact CB-CB 4.31Å; F514-H525 AromaticContact CG-CD2 3.91Å; I522-H525 HydrophobicContact CD1-CB 4.17Å; I522-H525 HydrophobicContact CG2-CB 3.45Å; I522-H525 VanDerWaalsContact CG2-CB 3.45Å; H525-D527 IonicContact CE1-OD2 2.72Å; H525-D527 PolarHBondContact CE1-OD2 3.18Å; H525-D527 PolarHBondContact ND1-N 3.49Å; H525-D527 VanDerWaalsContact ND1-N 3.13Å; H525-D527 IonicContact ND1-OD2 3.81Å; H525-D527 PolarHBondContact O-N 2.83Å; H525-L528 HydrophobicContact CB-CB 4.38Å; H525-L528 WeakPolarHBondContact O-CB 3.4Å; H525-L528 PolarHBondContact O-N 3.21Å; H525-L528 VanDerWaalsContact O-N 3.16Å; H525-V551 WeakPolarHBondContact CE1-CG1 2.96Å; H525-V551 VanDerWaalsContact ND1-CG1 3.31Å; H525-V551 WeakPolarHBondContact ND1-CG1 3.4Å; H525-E552 IonicContact CE1-OE1 2.78Å; H525-E552 IonicContact NE2-OE1 3.63Å; H525-E552 PolarHBondContact NE2-OE1 3.43Å
526	P	85.9	Confident	79.3	Confident	45 Å²	45	35 Å²	35	29%	0.292	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.6	-178.7	-26.9	34.6	0	0	0	115	Y512	Y512-P526 HydrophobicContact CD2-CG 3.94Å; Y512-P526 HydrophobicContact CG-CG 3.85Å
527	D	85.8	Confident	77.5	Confident	58 Å²	58	40.6 Å²	40.6	31%	0.31	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.1	-176	-53.9	-56.8	0	0	0	113.6	H525 V551 K578 Q892	H525-D527 IonicContact CE1-OD2 2.72Å; H525-D527 PolarHBondContact CE1-OD2 3.18Å; H525-D527 PolarHBondContact ND1-N 3.49Å; H525-D527 VanDerWaalsContact ND1-N 3.13Å; H525-D527 IonicContact ND1-OD2 3.81Å; H525-D527 PolarHBondContact O-N 2.83Å; D527-V551 HydrophobicContact CB-CG1 3.71Å; D527-K578 IonicContact OD2-NZ 2.77Å; D527-K578 PolarHBondContact OD2-NZ 3.31Å; D527-Q892 PolarHBondContact O-NE2 3.3Å
528	L	85.6	Confident	76.1	Confident	20 Å²	20	47.3 Å²	47.3	11%	0.105	25%	0.25	C	C	.	.			trans	-79.2	118.3	174	179.5	65.9	0	0	0	110.7	L464 I522 H525 P530 V546	L464-L528 HydrophobicContact CD1-CD2 4.09Å; I522-L528 HydrophobicContact CG2-CB 4.49Å; I522-L528 HydrophobicContact CG2-CD2 3.98Å; H525-L528 HydrophobicContact CB-CB 4.38Å; H525-L528 WeakPolarHBondContact O-CB 3.4Å; H525-L528 PolarHBondContact O-N 3.21Å; H525-L528 VanDerWaalsContact O-N 3.16Å; L528-P530 WeakPolarHBondContact O-CD 3.26Å; L528-V546 HydrophobicContact CD1-CB 3.88Å; L528-V546 HydrophobicContact CD1-CG1 4.1Å; L528-V546 HydrophobicContact CD1-CG2 3.96Å
529	R	81.8	Confident	75	Confident	112 Å²	112	50.8 Å²	50.8	42%	0.423	26%	0.261	S	S	.	.			trans	-117.3	90	-176.4	-72.5	171.6	-71	149.6	7.4	111.4	L531 K540 D890	R529-L531 VanDerWaalsContact C-N 3.34Å; R529-L531 PolarHBondContact O-N 3.09Å; R529-K540 WeakPolarHBondContact O-CD 3.11Å; R529-K540 WeakPolarHBondContact O-CE 3.33Å; R529-K540 PolarHBondContact O-NZ 3.24Å; R529-D890 IonicContact CZ-OD1 2.73Å; R529-D890 IonicContact CZ-OD2 3.39Å; R529-D890 IonicContact NH1-OD1 3.59Å; R529-D890 IonicContact NH1-OD2 2.66Å; R529-D890 PolarHBondContact NH1-OD2 2.03Å; R529-D890 IonicContact NH2-OD1 3.99Å; R529-D890 PolarHBondContact NH2-OD1 3.45Å; R529-D890 IonicContact NH2-OD2 3.54Å; R529-D890 PolarHBondContact NH2-OD2 3.01Å
530	P	75	Confident	74.2	Confident	23 Å²	23	51.1 Å²	51.1	15%	0.149	26%	0.262	C	S	.	.			trans	-77.7	-12	-173.7	33	-39	0	0	0	115.2	I452 L464 L528 K540 Y543	I452-P530 HydrophobicContact CD1-CB 4.26Å; L464-P530 HydrophobicContact CD1-CG 4.14Å; L464-P530 HydrophobicContact CD2-CB 4.24Å; L464-P530 HydrophobicContact CD2-CG 4.45Å; L464-P530 HydrophobicContact CG-CG 4.41Å; L528-P530 WeakPolarHBondContact O-CD 3.26Å; P530-K540 PolarHBondContact O-N 3.35Å; P530-Y543 HydrophobicContact CB-CD2 3.7Å; P530-Y543 HydrophobicContact CB-CG 4.02Å
531	L	74.3	Confident	73.1	Confident	35 Å²	35	53.9 Å²	53.9	18%	0.183	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-104	155.6	179.2	-76	-178.1	0	0	0	112.8	P462 R529 G533 R538 K540	P462-L531 HydrophobicContact CG-CD1 3.67Å; P462-L531 HydrophobicContact CG-CD2 3.81Å; P462-L531 HydrophobicContact CG-CG 3.73Å; R529-L531 VanDerWaalsContact C-N 3.34Å; R529-L531 PolarHBondContact O-N 3.09Å; L531-G533 PolarHBondContact O-N 3.19Å; L531-R538 WeakPolarHBondContact CD2-O 3.41Å; L531-K540 WeakPolarHBondContact O-CE 3.38Å
532	Y	62.7	Low	72.2	Confident	16 Å²	16	55.1 Å²	55.1	6%	0.063	29%	0.287	C	S	.	.	S	Bend	trans	-65.9	6.3	173.9	-88.6	-105.7	0	0	0	114.9	R538 R539 K540 L894 Q955	Y532-R538 HydrophobicContact CD2-CB 3.94Å; Y532-R538 HydrophobicContact CD2-CG 3.76Å; Y532-R538 VanDerWaalsContact CD2-O 3.31Å; Y532-R538 WeakPolarHBondContact CD2-O 3.26Å; Y532-R538 HydrophobicContact CE2-CG 3.89Å; Y532-R538 HydrophobicContact CG-CB 4.24Å; Y532-R538 HydrophobicContact CG-CG 4.37Å; Y532-R538 PolarHBondContact N-O 3.04Å; Y532-R539 WeakPolarHBondContact CD2-O 3.19Å; Y532-R539 WeakPolarHBondContact CE2-O 3.37Å; Y532-K540 HydrophobicContact CD2-CB 4.49Å; Y532-K540 HydrophobicContact CD2-CG 3.9Å; Y532-K540 HydrophobicContact CE2-CB 4.43Å; Y532-K540 HydrophobicContact CE2-CG 4.18Å; Y532-K540 HydrophobicContact CG-CG 4.48Å; Y532-L894 HydrophobicContact CD1-CD1 3.32Å; Y532-L894 HydrophobicContact CD1-CD2 3.57Å; Y532-L894 HydrophobicContact CD1-CG 4.07Å; Y532-L894 HydrophobicContact CE1-CD1 4.03Å; Y532-L894 HydrophobicContact CE1-CD2 3.35Å; Y532-L894 HydrophobicContact CE1-CG 4.29Å; Y532-L894 HydrophobicContact CG-CD1 3.88Å; Y532-L894 HydrophobicContact CG-CD2 4.32Å; Y532-Q955 HydrophobicContact CD1-CB 4.14Å; Y532-Q955 HydrophobicContact CE1-CB 3.71Å; Y532-Q955 WeakPolarHBondContact CE1-O 3.14Å; Y532-Q955 PolarHBondContact OH-O 3.47Å; Y532-Q955 VanDerWaalsContact OH-O 3.07Å
533	G	58.1	Low	71.5	Confident	31 Å²	31	56.3 Å²	56.3	32%	0.32	29%	0.292	S	S	.	.	S	Bend	trans	147.4	160.4	175.8	0	0	0	0	0	112	L531 G535 K536	L531-G533 PolarHBondContact O-N 3.19Å; G533-G535 PolarHBondContact O-N 3.36Å; G533-K536 PolarHBondContact O-N 3.13Å
534	D	46.6	Very low	71	Confident	130 Å²	130	56.9 Å²	56.9	70%	0.695	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	123.8	176.3	-67.1	-52.9	0	0	0	111	K536	D534-K536 VanDerWaalsContact C-N 3.25Å; D534-K536 PolarHBondContact O-N 3.1Å
535	G	45.2	Very low	70.8	Confident	76 Å²	76	56.9 Å²	56.9	78%	0.784	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-8.1	-176.8	0	0	0	0	0	115.8	G533	G533-G535 PolarHBondContact O-N 3.36Å
536	K	51	Low	70.7	Confident	114 Å²	114	56.9 Å²	56.9	50%	0.496	30%	0.297	S	S	.	.			trans	-88.1	113	174.1	-69	-174.3	-177.9	175.7	0	110.7	G533 D534 R538	G533-K536 PolarHBondContact O-N 3.13Å; D534-K536 VanDerWaalsContact C-N 3.25Å; D534-K536 PolarHBondContact O-N 3.1Å; K536-R538 PolarHBondContact O-N 3.07Å; K536-R538 VanDerWaalsContact O-N 3.11Å
537	K	56.7	Low	70.9	Confident	119 Å²	119	55 Å²	55	52%	0.517	29%	0.285	S	S	.	.			trans	-68.4	-7.9	-174.2	-48.8	-179	-162.5	177.8	0	115.6	D458 R539	D458-K537 HydrophobicContact CB-CD 4.4Å; D458-K537 VanDerWaalsContact CG-CD 3.48Å; D458-K537 VanDerWaalsContact O-CD 3.25Å; D458-K537 WeakPolarHBondContact O-CD 3.31Å; D458-K537 WeakPolarHBondContact O-CE 3.41Å; D458-K537 PolarHBondContact O-NZ 2.89Å; D458-K537 WeakPolarHBondContact OD1-CD 3Å; D458-K537 IonicContact OD1-NZ 3.02Å; D458-K537 IonicContact OD2-NZ 2.63Å; D458-K537 PolarHBondContact OD2-NZ 2.99Å; K537-R539 PolarHBondContact O-N 3.47Å
538	R	63.4	Low	71.2	Confident	146 Å²	146	52.5 Å²	52.5	55%	0.551	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-73.1	121.6	179.6	-165.4	175.9	-177.8	169.6	-1.1	109.6	L531 Y532 K536	L531-R538 WeakPolarHBondContact CD2-O 3.41Å; Y532-R538 HydrophobicContact CD2-CB 3.94Å; Y532-R538 HydrophobicContact CD2-CG 3.76Å; Y532-R538 VanDerWaalsContact CD2-O 3.31Å; Y532-R538 WeakPolarHBondContact CD2-O 3.26Å; Y532-R538 HydrophobicContact CE2-CG 3.89Å; Y532-R538 HydrophobicContact CG-CB 4.24Å; Y532-R538 HydrophobicContact CG-CG 4.37Å; Y532-R538 PolarHBondContact N-O 3.04Å; K536-R538 PolarHBondContact O-N 3.07Å; K536-R538 VanDerWaalsContact O-N 3.11Å
539	R	68.4	Low	71.4	Confident	90 Å²	90	52.7 Å²	52.7	34%	0.34	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-71.5	136.3	174.1	-50.7	175.2	-170.4	-150.9	-5.8	109.3	I452 D453 Y532 K537	I452-R539 HydrophobicContact CD1-CB 4.34Å; I452-R539 HydrophobicContact CD1-CG 3.97Å; I452-R539 VanDerWaalsContact CG2-CZ 3.48Å; I452-R539 PolarHBondContact O-NH1 3.01Å; D453-R539 PolarHBondContact O-NH1 2.93Å; D453-R539 PolarHBondContact O-NH2 3.47Å; Y532-R539 WeakPolarHBondContact CD2-O 3.19Å; Y532-R539 WeakPolarHBondContact CE2-O 3.37Å; K537-R539 PolarHBondContact O-N 3.47Å
540	K	72.4	Confident	71.7	Confident	19 Å²	19	50 Å²	50	8%	0.083	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.9	155.1	168.5	-71.7	-178	-175.2	162.2	0	109.9	R529 P530 L531 Y532 Y543 Q892	R529-K540 WeakPolarHBondContact O-CD 3.11Å; R529-K540 WeakPolarHBondContact O-CE 3.33Å; R529-K540 PolarHBondContact O-NZ 3.24Å; P530-K540 PolarHBondContact O-N 3.35Å; L531-K540 WeakPolarHBondContact O-CE 3.38Å; Y532-K540 HydrophobicContact CD2-CB 4.49Å; Y532-K540 HydrophobicContact CD2-CG 3.9Å; Y532-K540 HydrophobicContact CE2-CB 4.43Å; Y532-K540 HydrophobicContact CE2-CG 4.18Å; Y532-K540 HydrophobicContact CG-CG 4.48Å; K540-Y543 WeakPolarHBondContact O-CD1 3.47Å; K540-Q892 WeakPolarHBondContact CE-O 3.37Å; K540-Q892 PolarHBondContact NZ-O 3.5Å
541	P	67.1	Low	72.3	Confident	58 Å²	58	49.8 Å²	49.8	38%	0.377	27%	0.265	S	S	.	.	S	Bend	trans	-67.4	-51.6	173.3	-20.9	33.9	0	0	0	112.4	Y543 P957	P541-Y543 PolarHBondContact O-N 3.18Å; P541-P957 HydrophobicContact CG-CG 3.88Å
542	N	73.5	Confident	73	Confident	38 Å²	38	48.2 Å²	48.2	20%	0.203	26%	0.256	C	S	.	.	S	Bend	trans	-98.6	17.7	-165.6	-59	-9.6	0	0	0	114.4	V312 T313 S544 S545	V312-N542 WeakPolarHBondContact CG1-OD1 2.97Å; T313-N542 WeakPolarHBondContact CG2-ND2 3.45Å; N542-S544 PolarHBondContact O-N 2.78Å; N542-S545 PolarHBondContact O-N 2.93Å; N542-S545 PolarHBondContact O-OG 2.98Å
543	Y	77.9	Confident	74	Confident	30 Å²	30	50 Å²	50	12%	0.118	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.2	-25.1	-174.9	72.3	-73.4	0	0	0	114.8	I452 L464 P530 K540 P541	I452-Y543 HydrophobicContact CB-CE2 4.36Å; I452-Y543 HydrophobicContact CD1-CD2 4.26Å; I452-Y543 HydrophobicContact CD1-CE2 3.8Å; I452-Y543 HydrophobicContact CG1-CD2 4.43Å; I452-Y543 HydrophobicContact CG1-CE2 3.63Å; I452-Y543 PolarHBondContact N-OH 3.49Å; L464-Y543 HydrophobicContact CD2-CD2 3.9Å; L464-Y543 HydrophobicContact CD2-CE2 3.78Å; P530-Y543 HydrophobicContact CB-CD2 3.7Å; P530-Y543 HydrophobicContact CB-CG 4.02Å; K540-Y543 WeakPolarHBondContact O-CD1 3.47Å; P541-Y543 PolarHBondContact O-N 3.18Å
544	S	81.3	Confident	75.2	Confident	14 Å²	14	50.2 Å²	50.2	10%	0.098	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-82.8	-14	-179.7	52.7	0	0	0	0	113.5	A450 N542	A450-S544 WeakPolarHBondContact O-CA 3.35Å; A450-S544 WeakPolarHBondContact O-CB 3.29Å; N542-S544 PolarHBondContact O-N 2.78Å
545	S	84.6	Confident	77	Confident	11 Å²	11	44.6 Å²	44.6	8%	0.077	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-115	20.2	-177.6	64.8	0	0	0	0	113.2	Y521 N542 D547	Y521-S545 WeakPolarHBondContact CD1-O 3.43Å; Y521-S545 WeakPolarHBondContact CE1-O 3.06Å; N542-S545 PolarHBondContact O-N 2.93Å; N542-S545 PolarHBondContact O-OG 2.98Å; S545-D547 PolarHBondContact O-N 3.1Å
546	V	88.3	Confident	78.9	Confident	9 Å²	9	49 Å²	49	6%	0.055	22%	0.223	C	C	.	.			trans	-71	123.7	175.3	179.7	0	0	0	0	109	Y521 I522 L528 E550 V551 Q892	Y521-V546 WeakPolarHBondContact CA-O 3.34Å; I522-V546 HydrophobicContact CD1-CG1 4.21Å; I522-V546 PolarHBondContact N-O 2.87Å; L528-V546 HydrophobicContact CD1-CB 3.88Å; L528-V546 HydrophobicContact CD1-CG1 4.1Å; L528-V546 HydrophobicContact CD1-CG2 3.96Å; V546-E550 HydrophobicContact CG1-CB 4.37Å; V546-V551 HydrophobicContact CG1-CG2 3.92Å; V546-Q892 HydrophobicContact CG1-CG 4.42Å; V546-Q892 HydrophobicContact CG2-CG 4.43Å
547	D	90.3	Very high	80.5	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.037	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-88.9	154.5	-178	-163.2	-40.5	0	0	0	111.6	S545 S549 E550 R561 K1036	S545-D547 PolarHBondContact O-N 3.1Å; D547-S549 VanDerWaalsContact C-N 3.25Å; D547-S549 PolarHBondContact O-N 2.69Å; D547-S549 PolarHBondContact OD1-N 2.81Å; D547-E550 HydrophobicContact CB-CG 4.42Å; D547-E550 PolarHBondContact N-OE2 3.3Å; D547-E550 WeakPolarHBondContact O-CB 3.26Å; D547-E550 PolarHBondContact O-N 2.65Å; D547-E550 VanDerWaalsContact O-N 3.08Å; D547-R561 VanDerWaalsContact CG-NE 3.31Å; D547-R561 WeakPolarHBondContact OD1-CD 3.49Å; D547-R561 IonicContact OD1-CZ 2.65Å; D547-R561 IonicContact OD1-NE 3.48Å; D547-R561 PolarHBondContact OD1-NE 3.19Å; D547-R561 IonicContact OD1-NH2 2.68Å; D547-R561 IonicContact OD2-CZ 3.31Å; D547-R561 IonicContact OD2-NE 2.62Å; D547-R561 PolarHBondContact OD2-NE 3.13Å; D547-R561 IonicContact OD2-NH2 3.26Å; D547-R561 PolarHBondContact OD2-NH2 3.02Å; D547-K1036 IonicContact OD1-NZ 2.7Å; D547-K1036 WeakPolarHBondContact OD2-CD 3.49Å; D547-K1036 IonicContact OD2-NZ 2.73Å; D547-K1036 PolarHBondContact OD2-NZ 3.1Å
548	L	91.9	Very high	82	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-54.1	-38.4	171.9	-169.7	64.5	0	0	0	112.8	F514 I516 G520 E550 V551 E552 L560 R561	F514-L548 HydrophobicContact CD2-CD1 3.98Å; F514-L548 HydrophobicContact CE2-CD1 3.87Å; F514-L548 HydrophobicContact CE2-CD2 4.08Å; I516-L548 HydrophobicContact CD1-CD2 4.46Å; I516-L548 HydrophobicContact CG2-CB 4.35Å; I516-L548 HydrophobicContact CG2-CD1 4.36Å; I516-L548 HydrophobicContact CG2-CD2 4.34Å; G520-L548 PolarHBondContact O-N 3.36Å; L548-E550 PolarHBondContact O-N 2.82Å; L548-V551 PolarHBondContact O-N 3.39Å; L548-V551 VanDerWaalsContact O-N 3.11Å; L548-E552 HydrophobicContact CD1-CB 4.38Å; L548-E552 HydrophobicContact CD1-CG 3.8Å; L548-E552 HydrophobicContact CG-CB 4.43Å; L548-E552 HydrophobicContact CG-CG 4.37Å; L548-E552 PolarHBondContact O-N 2.88Å; L548-L560 HydrophobicContact CD2-CG 4.42Å; L548-R561 HydrophobicContact CB-CG 4.46Å; L548-R561 HydrophobicContact CD2-CB 4.23Å
549	S	89.3	Confident	83.4	Confident	24 Å²	24	42.2 Å²	42.2	17%	0.168	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.2	-21.5	178.6	-21.7	0	0	0	0	113.7	D547 W553 D558 R561 K1036	D547-S549 VanDerWaalsContact C-N 3.25Å; D547-S549 PolarHBondContact O-N 2.69Å; D547-S549 PolarHBondContact OD1-N 2.81Å; S549-W553 WeakPolarHBondContact O-CA 3.09Å; S549-D558 VanDerWaalsContact CB-OD1 3.31Å; S549-D558 WeakPolarHBondContact CB-OD1 3.36Å; S549-D558 PolarHBondContact OG-OD1 2.97Å; S549-R561 VanDerWaalsContact OG-CD 3.24Å; S549-R561 WeakPolarHBondContact OG-CD 3.35Å; S549-K1036 PolarHBondContact OG-NZ 2.84Å
550	E	86.9	Confident	84.6	Confident	56 Å²	56	38 Å²	38	26%	0.262	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-82.8	-5.8	179.7	-67	167.3	-172.6	0	0	112.2	V546 D547 L548 Y891	V546-E550 HydrophobicContact CG1-CB 4.37Å; D547-E550 HydrophobicContact CB-CG 4.42Å; D547-E550 PolarHBondContact N-OE2 3.3Å; D547-E550 WeakPolarHBondContact O-CB 3.26Å; D547-E550 PolarHBondContact O-N 2.65Å; D547-E550 VanDerWaalsContact O-N 3.08Å; L548-E550 PolarHBondContact O-N 2.82Å; E550-Y891 HydrophobicContact CB-CD2 4.23Å; E550-Y891 HydrophobicContact CB-CG 4.23Å; E550-Y891 HydrophobicContact CG-CG 4.34Å; E550-Y891 WeakPolarHBondContact O-CD2 3.45Å
551	V	88.6	Confident	85.6	Confident	19 Å²	19	37.2 Å²	37.2	12%	0.115	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-42.4	-175.4	-177.6	0	0	0	0	111.6	I522 H525 D527 V546 L548	I522-V551 HydrophobicContact CD1-CB 3.98Å; I522-V551 HydrophobicContact CD1-CG2 3.53Å; H525-V551 WeakPolarHBondContact CE1-CG1 2.96Å; H525-V551 VanDerWaalsContact ND1-CG1 3.31Å; H525-V551 WeakPolarHBondContact ND1-CG1 3.4Å; D527-V551 HydrophobicContact CB-CG1 3.71Å; V546-V551 HydrophobicContact CG1-CG2 3.92Å; L548-V551 PolarHBondContact O-N 3.39Å; L548-V551 VanDerWaalsContact O-N 3.11Å
552	E	88.6	Confident	86.8	Confident	2 Å²	2	36 Å²	36	1%	0.009	18%	0.182	C	C	.	.	S	Bend	trans	-101.3	53.6	172.2	-61.4	-74.7	165	0	0	109.5	Y512 H525 L548 E554 D555 M574 K578 Y593	Y512-E552 WeakPolarHBondContact CE2-OE1 3.33Å; Y512-E552 PolarHBondContact OH-OE1 3.01Å; H525-E552 IonicContact CE1-OE1 2.78Å; H525-E552 IonicContact NE2-OE1 3.63Å; H525-E552 PolarHBondContact NE2-OE1 3.43Å; L548-E552 HydrophobicContact CD1-CB 4.38Å; L548-E552 HydrophobicContact CD1-CG 3.8Å; L548-E552 HydrophobicContact CG-CB 4.43Å; L548-E552 HydrophobicContact CG-CG 4.37Å; L548-E552 PolarHBondContact O-N 2.88Å; E552-E554 PolarHBondContact O-N 2.95Å; E552-E554 VanDerWaalsContact O-N 3.08Å; E552-D555 PolarHBondContact O-N 3.27Å; E552-D555 VanDerWaalsContact O-N 3.08Å; E552-M574 HydrophobicContact CB-CE 4.41Å; E552-K578 IonicContact OE1-NZ 3.82Å; E552-Y593 PolarHBondContact OE2-OH 3.42Å
553	W	82.9	Confident	87.8	Confident	53 Å²	53	34.7 Å²	34.7	20%	0.201	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.9	-171.4	67.4	-84	0	0	0	114.4	S549 D555 T577 L888 Y889 Y891	S549-W553 WeakPolarHBondContact O-CA 3.09Å; W553-D555 VanDerWaalsContact C-N 3.26Å; W553-D555 PolarHBondContact O-N 3.42Å; W553-T577 WeakPolarHBondContact CZ2-OG1 3.48Å; W553-L888 HydrophobicContact CZ2-CD2 4.1Å; W553-Y889 HydrophobicContact CD2-CD2 4.04Å; W553-Y889 AromaticContact CE3-CD2 3.78Å; W553-Y889 HydrophobicContact CE3-CD2 3.78Å; W553-Y889 HydrophobicContact CE3-CE2 4.15Å; W553-Y889 HydrophobicContact CH2-CD2 4.28Å; W553-Y889 HydrophobicContact CH2-CE2 4.4Å; W553-Y889 AromaticContact CZ3-CD2 3.9Å; W553-Y889 HydrophobicContact CZ3-CD2 3.9Å; W553-Y889 AromaticContact CZ3-CE2 3.91Å; W553-Y889 HydrophobicContact CZ3-CE2 3.91Å; W553-Y891 HydrophobicContact CB-CE2 4.4Å
554	E	84.4	Confident	88.6	Confident	35 Å²	35	33.3 Å²	33.3	16%	0.164	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.4	171	-67.7	92.4	159.2	0	0	113.7	E552 K556 M574 T577	E552-E554 PolarHBondContact O-N 2.95Å; E552-E554 VanDerWaalsContact O-N 3.08Å; E554-K556 PolarHBondContact O-N 3.04Å; E554-M574 HydrophobicContact CB-SD 4Å; E554-T577 WeakPolarHBondContact OE1-CA 3.41Å; E554-T577 PolarHBondContact OE1-N 2.99Å; E554-T577 PolarHBondContact OE1-OG1 2.62Å
555	D	85.1	Confident	89.2	Confident	12 Å²	12	32.7 Å²	32.7	6%	0.064	17%	0.167	C	C	.	.			trans	-78.4	64.8	172.4	-173.4	25.6	0	0	0	111.8	E552 W553 D557 D558 T559 L560 R561 M574	E552-D555 PolarHBondContact O-N 3.27Å; E552-D555 VanDerWaalsContact O-N 3.08Å; W553-D555 VanDerWaalsContact C-N 3.26Å; W553-D555 PolarHBondContact O-N 3.42Å; D555-D557 PolarHBondContact O-N 2.92Å; D555-D558 PolarHBondContact O-N 3.05Å; D555-D558 WeakPolarHBondContact OD2-CA 3.36Å; D555-T559 VanDerWaalsContact CG-N 3.26Å; D555-T559 PolarHBondContact OD1-N 3.14Å; D555-T559 PolarHBondContact OD1-OG1 3.35Å; D555-T559 PolarHBondContact OD2-N 2.96Å; D555-L560 VanDerWaalsContact OD2-CB 3.3Å; D555-L560 WeakPolarHBondContact OD2-CB 3.31Å; D555-L560 PolarHBondContact OD2-N 3.23Å; D555-R561 PolarHBondContact OD2-N 2.88Å; D555-M574 HydrophobicContact CB-CE 4Å; D555-M574 HydrophobicContact CB-SD 4.23Å
556	K	83.2	Confident	89.6	Confident	170 Å²	170	35.3 Å²	35.3	74%	0.739	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.5	-175.1	-64.5	-176.5	179.8	-175.4	0	115.5	E554	E554-K556 PolarHBondContact O-N 3.04Å
557	D	85.9	Confident	89.8	Confident	139 Å²	139	37 Å²	37	74%	0.743	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	7.6	179.2	-67	-30.4	0	0	0	111.9	D555 T559	D555-D557 PolarHBondContact O-N 2.92Å; D557-T559 HydrophobicContact CB-CG2 3.7Å; D557-T559 PolarHBondContact O-N 3.04Å; D557-T559 VanDerWaalsContact O-N 3.09Å
558	D	88.6	Confident	89.9	Confident	36 Å²	36	42.4 Å²	42.4	19%	0.193	21%	0.209	C	C	.	.			trans	49.3	30.5	-175.6	-76.5	-53.8	0	0	0	113.6	S549 D555 R561 N562	S549-D558 VanDerWaalsContact CB-OD1 3.31Å; S549-D558 WeakPolarHBondContact CB-OD1 3.36Å; S549-D558 PolarHBondContact OG-OD1 2.97Å; D555-D558 PolarHBondContact O-N 3.05Å; D555-D558 WeakPolarHBondContact OD2-CA 3.36Å; D558-R561 HydrophobicContact CB-CB 4.27Å; D558-R561 WeakPolarHBondContact OD1-CD 3.45Å; D558-N562 WeakPolarHBondContact CB-ND2 3.38Å; D558-N562 WeakPolarHBondContact O-CB 3.45Å; D558-N562 PolarHBondContact O-N 2.91Å; D558-N562 PolarHBondContact O-ND2 3.26Å
559	T	91.8	Very high	90.1	Very high	60 Å²	60	45.2 Å²	45.2	37%	0.368	23%	0.226	S	C	.	.	H	α-helix	trans	-69.9	-40.9	-171.1	57.4	0	0	0	0	113.7	D555 D557 A563 F572	D555-T559 VanDerWaalsContact CG-N 3.26Å; D555-T559 PolarHBondContact OD1-N 3.14Å; D555-T559 PolarHBondContact OD1-OG1 3.35Å; D555-T559 PolarHBondContact OD2-N 2.96Å; D557-T559 HydrophobicContact CB-CG2 3.7Å; D557-T559 PolarHBondContact O-N 3.04Å; D557-T559 VanDerWaalsContact O-N 3.09Å; T559-A563 VanDerWaalsContact O-CB 3.28Å; T559-A563 WeakPolarHBondContact O-CB 3.32Å; T559-A563 PolarHBondContact O-N 2.98Å; T559-F572 WeakPolarHBondContact OG1-CE2 3.49Å; T559-F572 VanDerWaalsContact OG1-CZ 3.24Å; T559-F572 WeakPolarHBondContact OG1-CZ 3.34Å
560	L	93.2	Very high	90.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-70	-49.2	174.5	172	63.2	0	0	0	109.3	F514 L548 D555 A563 M564 F572 M574 Y593 Y595	F514-L560 HydrophobicContact CZ-CD2 4.33Å; L548-L560 HydrophobicContact CD2-CG 4.42Å; D555-L560 VanDerWaalsContact OD2-CB 3.3Å; D555-L560 WeakPolarHBondContact OD2-CB 3.31Å; D555-L560 PolarHBondContact OD2-N 3.23Å; L560-A563 PolarHBondContact O-N 2.98Å; L560-M564 HydrophobicContact CD1-CG 4.24Å; L560-M564 HydrophobicContact CD1-SD 3.82Å; L560-M564 HydrophobicContact CG-SD 4.2Å; L560-M564 WeakPolarHBondContact O-CG 3.5Å; L560-M564 PolarHBondContact O-N 2.96Å; L560-F572 HydrophobicContact CB-CD1 4.08Å; L560-F572 HydrophobicContact CB-CG 4.42Å; L560-F572 HydrophobicContact CD1-CB 4.32Å; L560-M574 HydrophobicContact CD2-CE 3.86Å; L560-Y593 HydrophobicContact CD2-CD1 3.52Å; L560-Y593 HydrophobicContact CD2-CD2 4.49Å; L560-Y593 HydrophobicContact CD2-CE1 3.96Å; L560-Y593 HydrophobicContact CD2-CG 3.85Å; L560-Y595 HydrophobicContact CD1-CD1 3.37Å; L560-Y595 HydrophobicContact CD1-CE1 3.63Å; L560-Y595 HydrophobicContact CD1-CG 4.18Å
561	R	93.8	Very high	90.7	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-56.9	178.5	179.9	-168.6	179.9	-74	-4.9	111.6	N519 D547 L548 S549 D555 D558 A563 M564 V565 D1037	N519-R561 PolarHBondContact O-NH2 3.48Å; D547-R561 VanDerWaalsContact CG-NE 3.31Å; D547-R561 WeakPolarHBondContact OD1-CD 3.49Å; D547-R561 IonicContact OD1-CZ 2.65Å; D547-R561 IonicContact OD1-NE 3.48Å; D547-R561 PolarHBondContact OD1-NE 3.19Å; D547-R561 IonicContact OD1-NH2 2.68Å; D547-R561 IonicContact OD2-CZ 3.31Å; D547-R561 IonicContact OD2-NE 2.62Å; D547-R561 PolarHBondContact OD2-NE 3.13Å; D547-R561 IonicContact OD2-NH2 3.26Å; D547-R561 PolarHBondContact OD2-NH2 3.02Å; L548-R561 HydrophobicContact CB-CG 4.46Å; L548-R561 HydrophobicContact CD2-CB 4.23Å; S549-R561 VanDerWaalsContact OG-CD 3.24Å; S549-R561 WeakPolarHBondContact OG-CD 3.35Å; D555-R561 PolarHBondContact OD2-N 2.88Å; D558-R561 HydrophobicContact CB-CB 4.27Å; D558-R561 WeakPolarHBondContact OD1-CD 3.45Å; R561-A563 VanDerWaalsContact C-N 3.27Å; R561-A563 PolarHBondContact O-N 2.74Å; R561-M564 PolarHBondContact O-N 3.07Å; R561-M564 VanDerWaalsContact O-N 3.12Å; R561-V565 HydrophobicContact CG-CG2 4.38Å; R561-V565 WeakPolarHBondContact O-CB 3.29Å; R561-V565 WeakPolarHBondContact O-CG2 3.07Å; R561-V565 PolarHBondContact O-N 3.5Å; R561-D1037 PolarHBondContact NH1-O 3.27Å
562	N	93.4	Very high	90.9	Very high	32 Å²	32	48 Å²	48	17%	0.171	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-28.3	-174.1	-62	-16	0	0	0	111.3	D558 N566 D1037	D558-N562 WeakPolarHBondContact CB-ND2 3.38Å; D558-N562 WeakPolarHBondContact O-CB 3.45Å; D558-N562 PolarHBondContact O-N 2.91Å; D558-N562 PolarHBondContact O-ND2 3.26Å; N562-N566 VanDerWaalsContact O-CB 3.28Å; N562-N566 WeakPolarHBondContact O-CB 3.3Å; N562-N566 PolarHBondContact O-N 2.97Å; N562-N566 VanDerWaalsContact O-N 3.13Å; N562-N566 PolarHBondContact O-ND2 2.87Å; N562-D1037 HydrophobicContact CB-CB 4.43Å
563	A	93.9	Very high	91.1	Very high	11 Å²	11	50.5 Å²	50.5	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-42.6	171.3	0	0	0	0	0	112.6	T559 L560 R561 R567 K568 Y595	T559-A563 VanDerWaalsContact O-CB 3.28Å; T559-A563 WeakPolarHBondContact O-CB 3.32Å; T559-A563 PolarHBondContact O-N 2.98Å; L560-A563 PolarHBondContact O-N 2.98Å; R561-A563 VanDerWaalsContact C-N 3.27Å; R561-A563 PolarHBondContact O-N 2.74Å; A563-R567 PolarHBondContact O-N 2.92Å; A563-K568 WeakPolarHBondContact O-CB 3.36Å; A563-K568 PolarHBondContact O-N 3.38Å; A563-Y595 HydrophobicContact CB-CE2 3.65Å; A563-Y595 WeakPolarHBondContact CB-OH 3.45Å
564	M	94.8	Very high	91.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.1	-41.8	178.3	-70.3	-175.8	67.4	0	0	112.7	F514 I516 L560 R561 N566 R567 Y595 S604	F514-M564 HydrophobicContact CD2-CE 4.32Å; F514-M564 HydrophobicContact CE2-CE 3.7Å; F514-M564 HydrophobicContact CE2-SD 3.67Å; F514-M564 HydrophobicContact CZ-CE 4.32Å; F514-M564 HydrophobicContact CZ-SD 3.99Å; I516-M564 HydrophobicContact CD1-CB 3.42Å; I516-M564 VanDerWaalsContact CD1-CB 3.42Å; I516-M564 HydrophobicContact CD1-CE 4.3Å; I516-M564 HydrophobicContact CD1-SD 4.49Å; I516-M564 HydrophobicContact CG1-CB 4.2Å; I516-M564 HydrophobicContact CG1-CE 4.19Å; L560-M564 HydrophobicContact CD1-CG 4.24Å; L560-M564 HydrophobicContact CD1-SD 3.82Å; L560-M564 HydrophobicContact CG-SD 4.2Å; L560-M564 WeakPolarHBondContact O-CG 3.5Å; L560-M564 PolarHBondContact O-N 2.96Å; R561-M564 PolarHBondContact O-N 3.07Å; R561-M564 VanDerWaalsContact O-N 3.12Å; M564-N566 VanDerWaalsContact C-N 3.31Å; M564-N566 PolarHBondContact O-N 3.14Å; M564-R567 WeakPolarHBondContact O-CA 3.25Å; M564-R567 PolarHBondContact O-N 3.2Å; M564-Y595 HydrophobicContact CG-CD1 4.3Å; M564-Y595 HydrophobicContact CG-CD2 3.66Å; M564-Y595 HydrophobicContact CG-CE2 4.43Å; M564-Y595 HydrophobicContact CG-CG 3.59Å; M564-Y595 HydrophobicContact SD-CG 4.14Å; M564-S604 WeakPolarHBondContact O-CB 3.45Å; M564-S604 PolarHBondContact O-OG 3.11Å
565	V	93.9	Very high	91.9	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-56.4	-44.1	172.2	158.7	0	0	0	0	111.4	I516 N518 R561 R567 R1039	I516-V565 HydrophobicContact CD1-CG2 4.18Å; N518-V565 WeakPolarHBondContact O-CG1 3.46Å; R561-V565 HydrophobicContact CG-CG2 4.38Å; R561-V565 WeakPolarHBondContact O-CB 3.29Å; R561-V565 WeakPolarHBondContact O-CG2 3.07Å; R561-V565 PolarHBondContact O-N 3.5Å; V565-R567 PolarHBondContact O-N 3.4Å; V565-R567 VanDerWaalsContact O-N 3.08Å; V565-R1039 HydrophobicContact CG1-CB 4.29Å; V565-R1039 WeakPolarHBondContact O-CB 3.46Å
566	N	92.6	Very high	92	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	7	175	-78.4	-68.7	0	0	0	114	N562 M564 K568	N562-N566 VanDerWaalsContact O-CB 3.28Å; N562-N566 WeakPolarHBondContact O-CB 3.3Å; N562-N566 PolarHBondContact O-N 2.97Å; N562-N566 VanDerWaalsContact O-N 3.13Å; N562-N566 PolarHBondContact O-ND2 2.87Å; M564-N566 VanDerWaalsContact C-N 3.31Å; M564-N566 PolarHBondContact O-N 3.14Å; N566-K568 VanDerWaalsContact C-N 3.26Å; N566-K568 HydrophobicContact CB-CD 4.34Å; N566-K568 HydrophobicContact CB-CG 4.2Å; N566-K568 PolarHBondContact O-N 3.48Å
567	R	91.9	Very high	92.2	Very high	45 Å²	45	45.7 Å²	45.7	17%	0.17	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	38.9	-178.5	-57.1	-167	-162.9	140.9	10.4	113.1	A563 M564 V565 D597 D1042	A563-R567 PolarHBondContact O-N 2.92Å; M564-R567 WeakPolarHBondContact O-CA 3.25Å; M564-R567 PolarHBondContact O-N 3.2Å; V565-R567 PolarHBondContact O-N 3.4Å; V565-R567 VanDerWaalsContact O-N 3.08Å; R567-D597 HydrophobicContact CB-CB 3.95Å; R567-D1042 IonicContact CZ-OD2 3.67Å; R567-D1042 IonicContact NH1-OD1 3.49Å; R567-D1042 IonicContact NH1-OD2 3.79Å; R567-D1042 PolarHBondContact NH1-OD2 2.97Å; R567-D1042 IonicContact NH2-OD2 3.35Å; R567-D1042 PolarHBondContact NH2-OD2 3.07Å
568	K	93.4	Very high	92.1	Very high	119 Å²	119	40.7 Å²	40.7	52%	0.517	22%	0.218	S	C	.	.			trans	-84.9	148.6	174.7	-63.2	176.1	-177	166.1	0	110	A563 N566 Y595	A563-K568 WeakPolarHBondContact O-CB 3.36Å; A563-K568 PolarHBondContact O-N 3.38Å; N566-K568 VanDerWaalsContact C-N 3.26Å; N566-K568 HydrophobicContact CB-CD 4.34Å; N566-K568 HydrophobicContact CB-CG 4.2Å; N566-K568 PolarHBondContact O-N 3.48Å; K568-Y595 WeakPolarHBondContact O-CD2 3.21Å; K568-Y595 WeakPolarHBondContact O-CE2 3.24Å
569	T	95.3	Very high	91.9	Very high	64 Å²	64	41.3 Å²	41.3	39%	0.393	23%	0.225	S	C	.	.			trans	-92.2	130	166.9	-51.1	0	0	0	0	109.6	L86 Y595 T596	L86-T569 HydrophobicContact CD1-CG2 3.84Å; T569-Y595 WeakPolarHBondContact CA-O 3.12Å; T569-T596 PolarHBondContact OG1-OG1 3.09Å
570	G	94.6	Very high	91.4	Very high	16 Å²	16	39.5 Å²	39.5	17%	0.165	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	-170.5	-177.5	0	0	0	0	0	115.5	Y595	G570-Y595 PolarHBondContact N-O 3.37Å; G570-Y595 PolarHBondContact O-N 2.76Å
571	T	94.8	Very high	90.4	Very high	83 Å²	83	39.9 Å²	39.9	51%	0.509	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.1	178.1	58.3	0	0	0	0	110.1	L86 Y593 Y594	L86-T571 HydrophobicContact CD1-CG2 4.43Å; T571-Y593 CarbonylContact C-O 3.58Å; T571-Y593 WeakPolarHBondContact CA-O 3.41Å; T571-Y594 HydrophobicContact CG2-CD1 3.49Å; T571-Y594 VanDerWaalsContact CG2-CD1 3.49Å; T571-Y594 HydrophobicContact CG2-CE1 3.79Å; T571-Y594 HydrophobicContact CG2-CG 4.39Å
572	F	93.8	Very high	89.4	Confident	59 Å²	59	45 Å²	45	26%	0.259	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.2	176.5	-175.1	-108.2	0	0	0	109.6	T559 L560 M574 D592 Y593 Y595	T559-F572 WeakPolarHBondContact OG1-CE2 3.49Å; T559-F572 VanDerWaalsContact OG1-CZ 3.24Å; T559-F572 WeakPolarHBondContact OG1-CZ 3.34Å; L560-F572 HydrophobicContact CB-CD1 4.08Å; L560-F572 HydrophobicContact CB-CG 4.42Å; L560-F572 HydrophobicContact CD1-CB 4.32Å; F572-M574 HydrophobicContact CD1-CE 4.16Å; F572-M574 HydrophobicContact CD1-CG 4.16Å; F572-M574 HydrophobicContact CD1-SD 4.5Å; F572-M574 HydrophobicContact CE1-CB 3.88Å; F572-M574 HydrophobicContact CE1-CE 3.92Å; F572-M574 HydrophobicContact CE1-CG 3.75Å; F572-M574 HydrophobicContact CE1-SD 3.8Å; F572-D592 CarbonylContact O-C 3.53Å; F572-Y593 HydrophobicContact CD1-CD2 4.5Å; F572-Y593 PolarHBondContact N-O 3.18Å; F572-Y593 PolarHBondContact O-N 3.42Å; F572-Y595 HydrophobicContact CB-CE1 4.29Å
573	S	92.4	Very high	88.4	Confident	54 Å²	54	44.1 Å²	44.1	38%	0.378	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.3	-179	-61.2	0	0	0	0	109.9	N591 D592 R611	S573-N591 WeakPolarHBondContact CA-O 3.23Å; S573-D592 WeakPolarHBondContact CB-OD1 3.19Å; S573-D592 PolarHBondContact OG-OD1 2.98Å; S573-R611 PolarHBondContact OG-NH2 3.07Å
574	M	92.4	Very high	87.7	Confident	16 Å²	16	47.7 Å²	47.7	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.3	175.5	53.1	172	153.9	0	0	112.6	E552 E554 D555 L560 F572 V576 N591 Y593	E552-M574 HydrophobicContact CB-CE 4.41Å; E554-M574 HydrophobicContact CB-SD 4Å; D555-M574 HydrophobicContact CB-CE 4Å; D555-M574 HydrophobicContact CB-SD 4.23Å; L560-M574 HydrophobicContact CD2-CE 3.86Å; F572-M574 HydrophobicContact CD1-CE 4.16Å; F572-M574 HydrophobicContact CD1-CG 4.16Å; F572-M574 HydrophobicContact CD1-SD 4.5Å; F572-M574 HydrophobicContact CE1-CB 3.88Å; F572-M574 HydrophobicContact CE1-CE 3.92Å; F572-M574 HydrophobicContact CE1-CG 3.75Å; F572-M574 HydrophobicContact CE1-SD 3.8Å; M574-V576 HydrophobicContact CG-CG2 3.81Å; M574-V576 HydrophobicContact SD-CG2 4.22Å; M574-N591 PolarHBondContact N-O 3.04Å; M574-N591 VanDerWaalsContact N-O 3.11Å; M574-N591 PolarHBondContact O-N 3.4Å; M574-Y593 HydrophobicContact CE-CD2 4.21Å; M574-Y593 HydrophobicContact CE-CE1 4.3Å; M574-Y593 HydrophobicContact CE-CE2 3.67Å; M574-Y593 HydrophobicContact CG-CD2 4.18Å; M574-Y593 HydrophobicContact CG-CE2 3.61Å; M574-Y593 HydrophobicContact SD-CE2 4.42Å
575	E	90.4	Very high	87.1	Confident	123 Å²	123	47.8 Å²	47.8	58%	0.575	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.5	168	-178.1	174.6	-148.1	0	0	108.2	V588 L589	E575-V588 HydrophobicContact CG-CG1 3.75Å; E575-V588 VanDerWaalsContact OE1-CG1 3.23Å; E575-V588 WeakPolarHBondContact OE1-CG1 3.4Å; E575-L589 WeakPolarHBondContact CA-O 3.44Å
576	V	88.5	Confident	86.8	Confident	2 Å²	2	48 Å²	48	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.2	-168.7	-177.6	0	0	0	0	109.3	M574 K578 L589 N591 Y593	M574-V576 HydrophobicContact CG-CG2 3.81Å; M574-V576 HydrophobicContact SD-CG2 4.22Å; V576-K578 HydrophobicContact CG1-CG 3.99Å; V576-L589 PolarHBondContact N-O 3.34Å; V576-L589 PolarHBondContact O-N 2.64Å; V576-N591 HydrophobicContact CG2-CB 4.27Å; V576-Y593 HydrophobicContact CG2-CE2 4.3Å; V576-Y593 WeakPolarHBondContact CG2-OH 3.4Å
577	T	86.8	Confident	86.4	Confident	27 Å²	27	46 Å²	46	17%	0.166	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	93	-177.1	50.8	0	0	0	0	110.5	W553 E554 V588 V886	W553-T577 WeakPolarHBondContact CZ2-OG1 3.48Å; E554-T577 WeakPolarHBondContact OE1-CA 3.41Å; E554-T577 PolarHBondContact OE1-N 2.99Å; E554-T577 PolarHBondContact OE1-OG1 2.62Å; T577-V588 HydrophobicContact CG2-CG2 4.32Å; T577-V886 HydrophobicContact CG2-CG1 4.46Å
578	K	84.3	Confident	86.2	Confident	34 Å²	34	46.9 Å²	46.9	15%	0.148	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.4	-179.8	-64.2	-139.5	169.1	-154.5	0	111.4	Y512 D527 E552 V576 L587 L589	Y512-K578 VanDerWaalsContact CZ-NZ 3.3Å; Y512-K578 WeakPolarHBondContact OH-CE 3.41Å; Y512-K578 PolarHBondContact OH-NZ 2.93Å; D527-K578 IonicContact OD2-NZ 2.77Å; D527-K578 PolarHBondContact OD2-NZ 3.31Å; E552-K578 IonicContact OE1-NZ 3.82Å; V576-K578 HydrophobicContact CG1-CG 3.99Å; K578-L587 PolarHBondContact N-O 3.11Å; K578-L587 PolarHBondContact O-N 2.78Å; K578-L589 HydrophobicContact CG-CD1 4.37Å
579	S	83.6	Confident	85.9	Confident	50 Å²	50	41.6 Å²	41.6	35%	0.35	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.4	168.1	56.9	0	0	0	0	111.4	R585 Y962	S579-R585 CarbonylContact C-O 3.54Å; S579-R585 WeakPolarHBondContact CA-O 3.28Å; S579-Y962 WeakPolarHBondContact CB-OH 3.18Å
580	V	80.9	Confident	85.6	Confident	21 Å²	21	42.4 Å²	42.4	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	171.3	170.9	-55.6	0	0	0	0	110.1	K582 G583 K584 R585 L587 L757	V580-K582 PolarHBondContact O-N 2.96Å; V580-G583 PolarHBondContact O-N 3.44Å; V580-K584 PolarHBondContact O-N 2.93Å; V580-R585 HydrophobicContact CG2-CB 3.72Å; V580-R585 PolarHBondContact N-O 3.48Å; V580-R585 PolarHBondContact O-N 3.2Å; V580-L587 HydrophobicContact CG1-CD1 3.81Å; V580-L587 HydrophobicContact CG1-CG 4.09Å; V580-L587 HydrophobicContact CG2-CG 4.35Å; V580-L757 HydrophobicContact CB-CD1 3.67Å; V580-L757 HydrophobicContact CG1-CD1 3.95Å; V580-L757 HydrophobicContact CG2-CD1 4.02Å
581	D	73.9	Confident	85.5	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.053	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	50	-172.5	-66.5	-81.6	0	0	0	111.6	G583 K584 R585 R761 F776	D581-G583 VanDerWaalsContact C-N 3.34Å; D581-G583 PolarHBondContact O-N 2.84Å; D581-K584 HydrophobicContact CB-CB 4.13Å; D581-K584 WeakPolarHBondContact O-CB 3.4Å; D581-K584 WeakPolarHBondContact O-CG 3.24Å; D581-K584 PolarHBondContact O-N 3.35Å; D581-K584 VanDerWaalsContact O-N 3.13Å; D581-R585 IonicContact OD1-NH1 3.45Å; D581-R585 PolarHBondContact OD1-NH1 2.96Å; D581-R585 VanDerWaalsContact OD2-CD 3.26Å; D581-R585 WeakPolarHBondContact OD2-CD 3.46Å; D581-R585 IonicContact OD2-CZ 3.17Å; D581-R585 IonicContact OD2-NE 2.9Å; D581-R585 IonicContact OD2-NH1 3.69Å; D581-R585 PolarHBondContact OD2-NH1 2.91Å; D581-R761 IonicContact OD2-NH1 3.52Å; D581-R761 PolarHBondContact OD2-NH1 2.85Å; D581-F776 HydrophobicContact CB-CD2 3.89Å
582	K	72.7	Confident	85.3	Confident	110 Å²	110	38.3 Å²	38.3	48%	0.478	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.5	179.7	-57.5	177.7	-179.3	171.8	0	114.5	V580	V580-K582 PolarHBondContact O-N 2.96Å
583	G	71.9	Confident	85.3	Confident	15 Å²	15	35.5 Å²	35.5	16%	0.155	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-10	179.1	0	0	0	0	0	114.8	V580 D581 Y962	V580-G583 PolarHBondContact O-N 3.44Å; D581-G583 VanDerWaalsContact C-N 3.34Å; D581-G583 PolarHBondContact O-N 2.84Å; G583-Y962 VanDerWaalsContact O-CE2 3.29Å; G583-Y962 WeakPolarHBondContact O-CE2 3.45Å
584	K	77.9	Confident	85.5	Confident	86 Å²	86	34.5 Å²	34.5	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-38.1	-172.3	-70.9	-171.3	173.5	-165.1	0	114.7	V580 D581 F776 F852 M1016	V580-K584 PolarHBondContact O-N 2.93Å; D581-K584 HydrophobicContact CB-CB 4.13Å; D581-K584 WeakPolarHBondContact O-CB 3.4Å; D581-K584 WeakPolarHBondContact O-CG 3.24Å; D581-K584 PolarHBondContact O-N 3.35Å; D581-K584 VanDerWaalsContact O-N 3.13Å; K584-F776 HydrophobicContact CB-CE2 4.35Å; K584-F776 HydrophobicContact CD-CD1 4.05Å; K584-F776 HydrophobicContact CD-CD2 3.78Å; K584-F776 HydrophobicContact CD-CE1 4.09Å; K584-F776 HydrophobicContact CD-CE2 3.78Å; K584-F776 HydrophobicContact CD-CG 3.88Å; K584-F776 HydrophobicContact CD-CZ 3.95Å; K584-F852 HydrophobicContact CB-CE1 4.4Å; K584-F852 HydrophobicContact CB-CE2 4.14Å; K584-F852 HydrophobicContact CB-CZ 3.65Å; K584-F852 HydrophobicContact CD-CE1 4.29Å; K584-F852 HydrophobicContact CD-CZ 4.35Å; K584-F852 HydrophobicContact CG-CZ 4.22Å; K584-F852 WeakPolarHBondContact O-CE2 3.48Å; K584-F852 WeakPolarHBondContact O-CZ 3.38Å; K584-M1016 VanDerWaalsContact O-CE 3.26Å; K584-M1016 WeakPolarHBondContact O-CE 3.13Å
585	R	84.1	Confident	85.6	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	159.2	-177.6	-64	-169.7	-178.7	97.8	3.8	110.8	S579 V580 D581 R761 L774 D848 N850 F852	S579-R585 CarbonylContact C-O 3.54Å; S579-R585 WeakPolarHBondContact CA-O 3.28Å; V580-R585 HydrophobicContact CG2-CB 3.72Å; V580-R585 PolarHBondContact N-O 3.48Å; V580-R585 PolarHBondContact O-N 3.2Å; D581-R585 IonicContact OD1-NH1 3.45Å; D581-R585 PolarHBondContact OD1-NH1 2.96Å; D581-R585 VanDerWaalsContact OD2-CD 3.26Å; D581-R585 WeakPolarHBondContact OD2-CD 3.46Å; D581-R585 IonicContact OD2-CZ 3.17Å; D581-R585 IonicContact OD2-NE 2.9Å; D581-R585 IonicContact OD2-NH1 3.69Å; D581-R585 PolarHBondContact OD2-NH1 2.91Å; R585-R761 VanDerWaalsContact CD-NH2 3.35Å; R585-L774 PolarHBondContact NH1-O 2.93Å; R585-D848 IonicContact CZ-OD2 2.65Å; R585-D848 VanDerWaalsContact CZ-OD2 3.3Å; R585-D848 IonicContact NE-OD2 3.92Å; R585-D848 PolarHBondContact NE-OD2 3.32Å; R585-D848 IonicContact NH2-OD2 3.44Å; R585-D848 PolarHBondContact NH2-OD2 3.06Å; R585-N850 HydrophobicContact CB-CB 4.41Å; R585-N850 HydrophobicContact CG-CB 3.96Å; R585-F852 HydrophobicContact CG-CD2 4.08Å; R585-F852 HydrophobicContact CG-CE2 3.83Å
586	V	86.3	Confident	85.9	Confident	6 Å²	6	29.3 Å²	29.3	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	-178.5	-165.7	0	0	0	0	110.9	N850 L888 A964 V966	V586-N850 PolarHBondContact N-ND2 3.25Å; V586-L888 HydrophobicContact CG2-CD1 3.86Å; V586-A964 HydrophobicContact CG2-CB 3.35Å; V586-V966 HydrophobicContact CB-CG2 3.89Å; V586-V966 HydrophobicContact CG2-CG2 4.29Å
587	L	85.4	Confident	86.2	Confident	26 Å²	26	31.1 Å²	31.1	14%	0.136	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.8	166	-61.3	179.5	0	0	0	109.2	K578 V580 L589	K578-L587 PolarHBondContact N-O 3.11Å; K578-L587 PolarHBondContact O-N 2.78Å; V580-L587 HydrophobicContact CG1-CD1 3.81Å; V580-L587 HydrophobicContact CG1-CG 4.09Å; V580-L587 HydrophobicContact CG2-CG 4.35Å; L587-L589 HydrophobicContact CB-CD2 4.38Å; L587-L589 HydrophobicContact CB-CG 4.44Å
588	V	85.9	Confident	86.6	Confident	63 Å²	63	30 Å²	30	38%	0.382	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.5	175.1	-173.3	0	0	0	0	107.4	E575 T577	E575-V588 HydrophobicContact CG-CG1 3.75Å; E575-V588 VanDerWaalsContact OE1-CG1 3.23Å; E575-V588 WeakPolarHBondContact OE1-CG1 3.4Å; T577-V588 HydrophobicContact CG2-CG2 4.32Å
589	L	87.6	Confident	87	Confident	7 Å²	7	34.3 Å²	34.3	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.9	-172.6	-56.2	176.9	0	0	0	109.9	H510 E575 V576 K578 L587 E764	H510-L589 HydrophobicContact CB-CD1 4.17Å; E575-L589 WeakPolarHBondContact CA-O 3.44Å; V576-L589 PolarHBondContact N-O 3.34Å; V576-L589 PolarHBondContact O-N 2.64Å; K578-L589 HydrophobicContact CG-CD1 4.37Å; L587-L589 HydrophobicContact CB-CD2 4.38Å; L587-L589 HydrophobicContact CB-CG 4.44Å; L589-E764 VanDerWaalsContact CD2-CD 3.44Å; L589-E764 HydrophobicContact CD2-CG 3.88Å; L589-E764 VanDerWaalsContact CD2-OE1 3.24Å; L589-E764 WeakPolarHBondContact CD2-OE1 3.31Å
590	H	89.6	Confident	87.2	Confident	81 Å²	81	35.6 Å²	35.6	38%	0.375	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	102.4	170.3	-163.3	98.4	0	0	0	109.9	R611	H590-R611 VanDerWaalsContact CD2-CD 3.46Å; H590-R611 WeakPolarHBondContact CD2-CD 3.33Å; H590-R611 PolarHBondContact CD2-NE 3.33Å; H590-R611 VanDerWaalsContact CD2-NE 3.33Å; H590-R611 PolarHBondContact CD2-NH1 3.2Å; H590-R611 PolarHBondContact O-N 3.14Å
591	N	91.3	Very high	87.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.4	-174.1	-74.9	-9.6	0	0	0	111	S573 M574 V576 Y593	S573-N591 WeakPolarHBondContact CA-O 3.23Å; M574-N591 PolarHBondContact N-O 3.04Å; M574-N591 VanDerWaalsContact N-O 3.11Å; M574-N591 PolarHBondContact O-N 3.4Å; V576-N591 HydrophobicContact CG2-CB 4.27Å; N591-Y593 HydrophobicContact CB-CD2 4.03Å; N591-Y593 HydrophobicContact CB-CE2 3.33Å; N591-Y593 PolarHBondContact ND2-OH 3.47Å
592	D	92.4	Very high	88.5	Confident	13 Å²	13	35.6 Å²	35.6	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.2	164	-66.1	-40.9	0	0	0	108.1	F572 S573 Y594 L609 R611	F572-D592 CarbonylContact O-C 3.53Å; S573-D592 WeakPolarHBondContact CB-OD1 3.19Å; S573-D592 PolarHBondContact OG-OD1 2.98Å; D592-Y594 HydrophobicContact CB-CE2 3.7Å; D592-Y594 VanDerWaalsContact O-CD2 3.31Å; D592-Y594 WeakPolarHBondContact O-CD2 3.2Å; D592-Y594 WeakPolarHBondContact O-CE2 3.05Å; D592-L609 PolarHBondContact N-O 3.39Å; D592-L609 PolarHBondContact O-N 3.43Å; D592-R611 IonicContact OD1-CZ 2.9Å; D592-R611 VanDerWaalsContact OD1-CZ 3.3Å; D592-R611 IonicContact OD1-NE 2.78Å; D592-R611 PolarHBondContact OD1-NE 2.77Å; D592-R611 VanDerWaalsContact OD1-NE 3.13Å; D592-R611 IonicContact OD1-NH2 3.73Å; D592-R611 PolarHBondContact OD1-NH2 2.74Å; D592-R611 VanDerWaalsContact OD2-CG 3.28Å; D592-R611 WeakPolarHBondContact OD2-CG 3.34Å; D592-R611 IonicContact OD2-CZ 2.73Å; D592-R611 IonicContact OD2-NE 2.7Å; D592-R611 PolarHBondContact OD2-NE 3.35Å; D592-R611 IonicContact OD2-NH2 2.68Å
593	Y	94	Very high	89.5	Confident	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.9	177.5	-64.9	-102.7	0	0	0	110.3	Y512 F514 E552 L560 T571 F572 M574 V576 N591 V607 A608	Y512-Y593 PolarHBondContact OH-OH 2.55Å; F514-Y593 AromaticContact CE1-CD1 3.81Å; F514-Y593 HydrophobicContact CE1-CD1 3.81Å; F514-Y593 HydrophobicContact CE1-CE1 4.08Å; F514-Y593 AromaticContact CZ-CD1 3.89Å; F514-Y593 HydrophobicContact CZ-CD1 3.89Å; F514-Y593 HydrophobicContact CZ-CE1 4.31Å; E552-Y593 PolarHBondContact OE2-OH 3.42Å; L560-Y593 HydrophobicContact CD2-CD1 3.52Å; L560-Y593 HydrophobicContact CD2-CD2 4.49Å; L560-Y593 HydrophobicContact CD2-CE1 3.96Å; L560-Y593 HydrophobicContact CD2-CG 3.85Å; T571-Y593 CarbonylContact C-O 3.58Å; T571-Y593 WeakPolarHBondContact CA-O 3.41Å; F572-Y593 HydrophobicContact CD1-CD2 4.5Å; F572-Y593 PolarHBondContact N-O 3.18Å; F572-Y593 PolarHBondContact O-N 3.42Å; M574-Y593 HydrophobicContact CE-CD2 4.21Å; M574-Y593 HydrophobicContact CE-CE1 4.3Å; M574-Y593 HydrophobicContact CE-CE2 3.67Å; M574-Y593 HydrophobicContact CG-CD2 4.18Å; M574-Y593 HydrophobicContact CG-CE2 3.61Å; M574-Y593 HydrophobicContact SD-CE2 4.42Å; V576-Y593 HydrophobicContact CG2-CE2 4.3Å; V576-Y593 WeakPolarHBondContact CG2-OH 3.4Å; N591-Y593 HydrophobicContact CB-CD2 4.03Å; N591-Y593 HydrophobicContact CB-CE2 3.33Å; N591-Y593 PolarHBondContact ND2-OH 3.47Å; Y593-V607 CarbonylContact C-O 3.48Å; Y593-V607 WeakPolarHBondContact CA-O 3.07Å; Y593-A608 HydrophobicContact CD1-CB 3.93Å; Y593-A608 HydrophobicContact CE1-CB 3.75Å; Y593-A608 HydrophobicContact CG-CB 4.5Å
594	Y	95.1	Very high	90.6	Very high	32 Å²	32	29.8 Å²	29.8	13%	0.125	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.9	176.2	-57.9	-97.1	0	0	0	107.5	G85 L86 T571 D592 G606 V607 L609	G85-Y594 VanDerWaalsContact C-CD1 3.47Å; L86-Y594 HydrophobicContact CB-CD1 4.12Å; L86-Y594 VanDerWaalsContact N-CD1 3.27Å; T571-Y594 HydrophobicContact CG2-CD1 3.49Å; T571-Y594 VanDerWaalsContact CG2-CD1 3.49Å; T571-Y594 HydrophobicContact CG2-CE1 3.79Å; T571-Y594 HydrophobicContact CG2-CG 4.39Å; D592-Y594 HydrophobicContact CB-CE2 3.7Å; D592-Y594 VanDerWaalsContact O-CD2 3.31Å; D592-Y594 WeakPolarHBondContact O-CD2 3.2Å; D592-Y594 WeakPolarHBondContact O-CE2 3.05Å; Y594-G606 CarbonylContact O-C 3.52Å; Y594-G606 WeakPolarHBondContact O-CA 3.18Å; Y594-V607 PolarHBondContact N-O 3.29Å; Y594-V607 PolarHBondContact O-N 2.63Å; Y594-L609 HydrophobicContact CD2-CD1 4.24Å; Y594-L609 HydrophobicContact CD2-CG 4.34Å; Y594-L609 HydrophobicContact CE2-CB 4.26Å; Y594-L609 HydrophobicContact CE2-CD1 3.9Å; Y594-L609 HydrophobicContact CE2-CG 4.19Å
595	Y	95.8	Very high	91.5	Very high	25 Å²	25	25.8 Å²	25.8	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.1	-174.5	57.6	-93.8	0	0	0	113.5	L560 A563 M564 K568 T569 G570 F572 L605	L560-Y595 HydrophobicContact CD1-CD1 3.37Å; L560-Y595 HydrophobicContact CD1-CE1 3.63Å; L560-Y595 HydrophobicContact CD1-CG 4.18Å; A563-Y595 HydrophobicContact CB-CE2 3.65Å; A563-Y595 WeakPolarHBondContact CB-OH 3.45Å; M564-Y595 HydrophobicContact CG-CD1 4.3Å; M564-Y595 HydrophobicContact CG-CD2 3.66Å; M564-Y595 HydrophobicContact CG-CE2 4.43Å; M564-Y595 HydrophobicContact CG-CG 3.59Å; M564-Y595 HydrophobicContact SD-CG 4.14Å; K568-Y595 WeakPolarHBondContact O-CD2 3.21Å; K568-Y595 WeakPolarHBondContact O-CE2 3.24Å; T569-Y595 WeakPolarHBondContact CA-O 3.12Å; G570-Y595 PolarHBondContact N-O 3.37Å; G570-Y595 PolarHBondContact O-N 2.76Å; F572-Y595 HydrophobicContact CB-CE1 4.29Å; Y595-L605 CarbonylContact C-O 3.54Å; Y595-L605 VanDerWaalsContact CA-O 3.24Å; Y595-L605 WeakPolarHBondContact CA-O 3.18Å
596	T	96.2	Very high	92	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	164.6	175.8	-153.5	0	0	0	0	111.7	V89 A93 T569 S604 L605	V89-T596 HydrophobicContact CG1-CG2 3.68Å; A93-T596 HydrophobicContact CB-CG2 3.5Å; A93-T596 VanDerWaalsContact CB-CG2 3.5Å; T569-T596 PolarHBondContact OG1-OG1 3.09Å; T596-S604 CarbonylContact O-C 3.6Å; T596-S604 WeakPolarHBondContact O-CA 3.4Å; T596-L605 PolarHBondContact N-O 3Å; T596-L605 PolarHBondContact O-N 2.76Å
597	D	95.4	Very high	92.3	Very high	40 Å²	40	25.4 Å²	25.4	21%	0.214	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	145.2	170.3	62.5	-50.7	0	0	0	113.5	R567	R567-D597 HydrophobicContact CB-CB 3.95Å
598	I	94.6	Very high	92.7	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-95.3	119.5	162.3	-55.5	-179.9	0	0	0	107.2	A93 M96 E97 F100 T601 F603 L605	A93-I598 HydrophobicContact CB-CG1 4.31Å; M96-I598 HydrophobicContact CB-CD1 4.11Å; M96-I598 HydrophobicContact CB-CG2 4.42Å; M96-I598 HydrophobicContact SD-CD1 3.79Å; E97-I598 HydrophobicContact CB-CG2 4.32Å; F100-I598 HydrophobicContact CD2-CG2 3.98Å; F100-I598 HydrophobicContact CE2-CD1 4.05Å; F100-I598 HydrophobicContact CE2-CG2 4.26Å; I598-T601 HydrophobicContact CG2-CG2 4.37Å; I598-T601 PolarHBondContact O-OG1 2.9Å; I598-F603 HydrophobicContact CD1-CB 4.2Å; I598-F603 PolarHBondContact N-O 2.84Å; I598-L605 HydrophobicContact CD1-CB 4.19Å; I598-L605 HydrophobicContact CG1-CB 4.12Å
599	K	91.9	Very high	92.9	Very high	125 Å²	125	21.3 Å²	21.3	54%	0.543	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	144.3	-175.2	-66.7	177.4	179.3	-179.3	0	111.5	E97 T601	E97-K599 HydrophobicContact CG-CB 4.29Å; K599-T601 PolarHBondContact O-N 3.16Å
600	G	87.8	Confident	92.9	Very high	77 Å²	77	21.1 Å²	21.1	79%	0.794	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	4.3	-178.3	0	0	0	0	0	114.9
601	T	91.7	Very high	92.7	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.055	12%	0.123	C	C	.	.	S	Bend	trans	-132.2	165.4	173.2	73.7	0	0	0	0	109.8	F100 W447 I598 K599 F603	F100-T601 HydrophobicContact CB-CG2 3.76Å; F100-T601 HydrophobicContact CD2-CG2 3.75Å; F100-T601 HydrophobicContact CE2-CG2 4.46Å; F100-T601 HydrophobicContact CG-CG2 3.84Å; W447-T601 HydrophobicContact CD2-CG2 4.46Å; W447-T601 HydrophobicContact CZ2-CG2 4.09Å; I598-T601 HydrophobicContact CG2-CG2 4.37Å; I598-T601 PolarHBondContact O-OG1 2.9Å; K599-T601 PolarHBondContact O-N 3.16Å; T601-F603 HydrophobicContact CG2-CD2 4.44Å; T601-F603 PolarHBondContact O-N 3.12Å; T601-F603 PolarHBondContact OG1-N 3.41Å
602	P	91.6	Very high	91.8	Very high	22 Å²	22	24 Å²	24	14%	0.143	14%	0.136	C	C	.	.	S	Bend	trans	-78.3	-0.3	173.9	31.6	-35	0	0	0	113.5	W447 N518	W447-P602 HydrophobicContact CB-CG 3.85Å; W447-P602 VanDerWaalsContact CD1-CD 3.48Å; W447-P602 HydrophobicContact CG-CG 4.42Å; N518-P602 HydrophobicContact CB-CB 4.28Å; N518-P602 PolarHBondContact N-O 3.13Å
603	F	93.9	Very high	91	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.143	C	C	.	.			trans	-88.2	148.2	-168.1	-52.9	-47.9	0	0	0	113.9	F100 W447 I516 T517 L523 I598 T601	F100-F603 HydrophobicContact CE1-CE2 4.3Å; F100-F603 HydrophobicContact CE2-CD2 4.1Å; F100-F603 AromaticContact CZ-CD2 3.94Å; F100-F603 HydrophobicContact CZ-CD2 3.94Å; F100-F603 HydrophobicContact CZ-CE2 4.05Å; W447-F603 HydrophobicContact CB-CE1 4.44Å; W447-F603 HydrophobicContact CB-CE2 4.08Å; W447-F603 HydrophobicContact CB-CZ 3.7Å; W447-F603 HydrophobicContact CD2-CE2 4.08Å; W447-F603 AromaticContact CE3-CE2 3.92Å; W447-F603 HydrophobicContact CE3-CE2 3.92Å; W447-F603 HydrophobicContact CE3-CZ 4.35Å; W447-F603 HydrophobicContact CG-CE2 4.18Å; W447-F603 HydrophobicContact CG-CZ 4.3Å; I516-F603 VanDerWaalsContact O-CA 3.3Å; I516-F603 WeakPolarHBondContact O-CA 3.36Å; T517-F603 HydrophobicContact CG2-CD1 4.26Å; T517-F603 HydrophobicContact CG2-CE1 4.08Å; L523-F603 HydrophobicContact CD1-CZ 4.48Å; L523-F603 HydrophobicContact CD2-CD1 4.08Å; L523-F603 HydrophobicContact CD2-CD2 4.01Å; L523-F603 HydrophobicContact CD2-CE1 4.1Å; L523-F603 HydrophobicContact CD2-CE2 4.02Å; L523-F603 HydrophobicContact CD2-CG 4.04Å; L523-F603 HydrophobicContact CD2-CZ 4.05Å; I598-F603 HydrophobicContact CD1-CB 4.2Å; I598-F603 PolarHBondContact N-O 2.84Å; T601-F603 HydrophobicContact CG2-CD2 4.44Å; T601-F603 PolarHBondContact O-N 3.12Å; T601-F603 PolarHBondContact OG1-N 3.41Å
604	S	95.3	Very high	90	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.3	169.2	-69.7	0	0	0	0	110.3	A515 I516 M564 T596	A515-S604 WeakPolarHBondContact CA-O 3.38Å; I516-S604 PolarHBondContact N-O 2.96Å; I516-S604 PolarHBondContact O-N 2.91Å; M564-S604 WeakPolarHBondContact O-CB 3.45Å; M564-S604 PolarHBondContact O-OG 3.11Å; T596-S604 CarbonylContact O-C 3.6Å; T596-S604 WeakPolarHBondContact O-CA 3.4Å
605	L	95.4	Very high	89.1	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.6	-180	-176.9	68.2	0	0	0	110.6	V89 L92 A93 M96 A515 Y595 T596 I598	V89-L605 HydrophobicContact CG1-CD2 4.24Å; V89-L605 HydrophobicContact CG1-CG 4.33Å; L92-L605 HydrophobicContact CB-CD2 3.58Å; A93-L605 HydrophobicContact CB-CD2 4.2Å; M96-L605 HydrophobicContact CE-CD1 3.99Å; M96-L605 HydrophobicContact CE-CD2 4.48Å; M96-L605 HydrophobicContact SD-CD1 3.91Å; M96-L605 HydrophobicContact SD-CD2 3.96Å; M96-L605 HydrophobicContact SD-CG 4.48Å; A515-L605 HydrophobicContact CB-CD1 4.43Å; Y595-L605 CarbonylContact C-O 3.54Å; Y595-L605 VanDerWaalsContact CA-O 3.24Å; Y595-L605 WeakPolarHBondContact CA-O 3.18Å; T596-L605 PolarHBondContact N-O 3Å; T596-L605 PolarHBondContact O-N 2.76Å; I598-L605 HydrophobicContact CD1-CB 4.19Å; I598-L605 HydrophobicContact CG1-CB 4.12Å
606	G	94.5	Very high	88.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.2	171.6	0	0	0	0	0	111.8	A513 F514 Y594	A513-G606 CarbonylContact C-O 3.58Å; A513-G606 VanDerWaalsContact CA-O 3.29Å; A513-G606 WeakPolarHBondContact CA-O 3.28Å; F514-G606 PolarHBondContact N-O 3.1Å; F514-G606 PolarHBondContact O-N 2.81Å; F514-G606 VanDerWaalsContact O-O 3.1Å; Y594-G606 CarbonylContact O-C 3.52Å; Y594-G606 WeakPolarHBondContact O-CA 3.18Å
607	V	93.8	Very high	87.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.2	169.1	169	0	0	0	0	108.9	V89 L92 L507 Y512 A513 Y593 Y594 L609	V89-V607 HydrophobicContact CG2-CB 3.51Å; V89-V607 HydrophobicContact CG2-CG2 3.57Å; L92-V607 HydrophobicContact CD1-CG2 4.15Å; L507-V607 HydrophobicContact CD2-CG1 3.53Å; L507-V607 HydrophobicContact CD2-CG2 4.33Å; Y512-V607 WeakPolarHBondContact O-CA 3.45Å; A513-V607 HydrophobicContact CB-CG2 3.83Å; Y593-V607 CarbonylContact C-O 3.48Å; Y593-V607 WeakPolarHBondContact CA-O 3.07Å; Y594-V607 PolarHBondContact N-O 3.29Å; Y594-V607 PolarHBondContact O-N 2.63Å; V607-L609 HydrophobicContact CG1-CD2 3.8Å; V607-L609 HydrophobicContact CG1-CG 4Å
608	A	92.6	Very high	87.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.5	170	0	0	0	0	0	109.6	G511 Y512 Y593	G511-A608 WeakPolarHBondContact CA-O 2.96Å; Y512-A608 HydrophobicContact CD1-CB 4.07Å; Y512-A608 HydrophobicContact CD2-CB 4.33Å; Y512-A608 HydrophobicContact CE1-CB 3.64Å; Y512-A608 HydrophobicContact CE2-CB 3.93Å; Y512-A608 HydrophobicContact CG-CB 4.39Å; Y512-A608 PolarHBondContact N-O 3.18Å; Y512-A608 PolarHBondContact O-N 3.22Å; Y593-A608 HydrophobicContact CD1-CB 3.93Å; Y593-A608 HydrophobicContact CE1-CB 3.75Å; Y593-A608 HydrophobicContact CG-CB 4.5Å
609	L	91.1	Very high	86.6	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.1	171.6	-59.5	179.8	0	0	0	109.4	I83 L507 D592 Y594 V607	I83-L609 HydrophobicContact CG2-CD1 4.28Å; L507-L609 HydrophobicContact CB-CD2 4.45Å; L507-L609 HydrophobicContact CD2-CD2 4.19Å; L507-L609 WeakPolarHBondContact O-CD2 3.27Å; D592-L609 PolarHBondContact N-O 3.39Å; D592-L609 PolarHBondContact O-N 3.43Å; Y594-L609 HydrophobicContact CD2-CD1 4.24Å; Y594-L609 HydrophobicContact CD2-CG 4.34Å; Y594-L609 HydrophobicContact CE2-CB 4.26Å; Y594-L609 HydrophobicContact CE2-CD1 3.9Å; Y594-L609 HydrophobicContact CE2-CG 4.19Å; V607-L609 HydrophobicContact CG1-CD2 3.8Å; V607-L609 HydrophobicContact CG1-CG 4Å
610	S	87.9	Confident	86.2	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137	172.8	178.3	0	0	0	0	111.2	H613 G614	S610-H613 PolarHBondContact O-N 2.83Å; S610-G614 PolarHBondContact O-N 3.35Å
611	R	84.1	Confident	86	Confident	113 Å²	113	25.2 Å²	25.2	43%	0.426	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	135.7	177.7	-69.8	-173.5	178.7	162.2	8.2	110.8	S573 H590 D592 H613	S573-R611 PolarHBondContact OG-NH2 3.07Å; H590-R611 VanDerWaalsContact CD2-CD 3.46Å; H590-R611 WeakPolarHBondContact CD2-CD 3.33Å; H590-R611 PolarHBondContact CD2-NE 3.33Å; H590-R611 VanDerWaalsContact CD2-NE 3.33Å; H590-R611 PolarHBondContact CD2-NH1 3.2Å; H590-R611 PolarHBondContact O-N 3.14Å; D592-R611 IonicContact OD1-CZ 2.9Å; D592-R611 VanDerWaalsContact OD1-CZ 3.3Å; D592-R611 IonicContact OD1-NE 2.78Å; D592-R611 PolarHBondContact OD1-NE 2.77Å; D592-R611 VanDerWaalsContact OD1-NE 3.13Å; D592-R611 IonicContact OD1-NH2 3.73Å; D592-R611 PolarHBondContact OD1-NH2 2.74Å; D592-R611 VanDerWaalsContact OD2-CG 3.28Å; D592-R611 WeakPolarHBondContact OD2-CG 3.34Å; D592-R611 IonicContact OD2-CZ 2.73Å; D592-R611 IonicContact OD2-NE 2.7Å; D592-R611 PolarHBondContact OD2-NE 3.35Å; D592-R611 IonicContact OD2-NH2 2.68Å; R611-H613 PolarHBondContact O-CD2 2.88Å; R611-H613 PolarHBondContact O-N 3.16Å
612	G	72.5	Confident	85.7	Confident	27 Å²	27	26.2 Å²	26.2	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-45	-174.9	0	0	0	0	0	114
613	H	75.9	Confident	85.6	Confident	43 Å²	43	28.2 Å²	28.2	20%	0.199	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.8	-168.7	-55	-72.2	0	0	0	115.6	I509 S610 R611 A763 E764 I802	I509-H613 PolarHBondContact N-O 3.43Å; I509-H613 VanDerWaalsContact N-O 3.13Å; S610-H613 PolarHBondContact O-N 2.83Å; R611-H613 PolarHBondContact O-CD2 2.88Å; R611-H613 PolarHBondContact O-N 3.16Å; H613-A763 PolarHBondContact CE1-O 3.32Å; H613-E764 IonicContact CD2-OE1 3.78Å; H613-E764 PolarHBondContact CD2-OE1 3.22Å; H613-E764 IonicContact CG-OE1 3.37Å; H613-E764 IonicContact NE2-OE1 3.11Å; H613-I802 VanDerWaalsContact ND1-CD1 3.29Å; H613-I802 WeakPolarHBondContact ND1-CD1 3.42Å
614	G	72.5	Confident	85.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-25.9	167	0	0	0	0	0	115.6	L507 S610 Y616	L507-G614 WeakPolarHBondContact O-CA 3.23Å; S610-G614 PolarHBondContact O-N 3.35Å; G614-Y616 PolarHBondContact O-N 2.67Å
615	K	77.5	Confident	84.8	Confident	50 Å²	50	38 Å²	38	22%	0.217	19%	0.191	C	C	.	.	S	Bend	trans	-66.3	-31	-171.7	-178.4	164.4	177	171	0	116	E82 I83	E82-K615 VanDerWaalsContact CD-CE 3.41Å; E82-K615 HydrophobicContact CG-CG 4.25Å; E82-K615 WeakPolarHBondContact OE1-CE 3.2Å; E82-K615 IonicContact OE1-NZ 2.71Å; E82-K615 PolarHBondContact OE1-NZ 3.3Å; I83-K615 PolarHBondContact N-O 3.07Å
616	Y	81.2	Confident	84.4	Confident	34 Å²	34	42.9 Å²	42.9	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	146.8	175.6	-59	-72.4	0	0	0	110.3	E82 G614 R720 K799	E82-Y616 HydrophobicContact CB-CD1 4.15Å; E82-Y616 HydrophobicContact CB-CE1 4.15Å; E82-Y616 HydrophobicContact CG-CD1 4.27Å; E82-Y616 HydrophobicContact CG-CE1 4.01Å; G614-Y616 PolarHBondContact O-N 2.67Å; Y616-R720 PolarHBondContact O-NH1 3.07Å; Y616-K799 WeakPolarHBondContact CD2-O 3.37Å; Y616-K799 HydrophobicContact CE1-CB 4.33Å; Y616-K799 HydrophobicContact CE1-CD 4.34Å; Y616-K799 HydrophobicContact CE1-CG 4.45Å; Y616-K799 HydrophobicContact CE2-CB 4.13Å; Y616-K799 HydrophobicContact CE2-CG 4.28Å
617	F	80.5	Confident	84	Confident	21 Å²	21	42.9 Å²	42.9	9%	0.092	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.1	176.7	170.5	-102.3	0	0	0	108.6	V80 E81 I83 Y505 R619 E682	V80-F617 CarbonylContact C-O 3.59Å; V80-F617 WeakPolarHBondContact CA-O 3.46Å; E81-F617 PolarHBondContact N-O 2.68Å; E81-F617 PolarHBondContact O-N 2.7Å; I83-F617 HydrophobicContact CD1-CB 3.85Å; I83-F617 HydrophobicContact CG1-CB 4.02Å; Y505-F617 HydrophobicContact CD2-CE2 4.27Å; F617-R619 HydrophobicContact CE1-CB 4.11Å; F617-R619 HydrophobicContact CE1-CG 4.35Å; F617-E682 HydrophobicContact CE2-CG 4.33Å; F617-E682 HydrophobicContact CZ-CG 3.79Å
618	F	83.5	Confident	83.7	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.4	175.7	71	-85.9	0	0	0	108.7	Y71 V78 R79 V80 F685 L794 P801 A803	Y71-F618 HydrophobicContact CE1-CZ 4.49Å; V78-F618 HydrophobicContact CG1-CB 3.61Å; V78-F618 HydrophobicContact CG1-CD2 3.75Å; V78-F618 HydrophobicContact CG1-CG 4.11Å; R79-F618 CarbonylContact O-C 3.58Å; R79-F618 VanDerWaalsContact O-CA 3.27Å; R79-F618 WeakPolarHBondContact O-CA 3.49Å; V80-F618 HydrophobicContact CG2-CB 4.28Å; F618-F685 HydrophobicContact CD2-CE1 4.4Å; F618-F685 HydrophobicContact CE2-CD1 4.18Å; F618-F685 AromaticContact CE2-CE1 3.83Å; F618-F685 HydrophobicContact CE2-CE1 3.83Å; F618-L794 HydrophobicContact CB-CD2 3.9Å; F618-L794 HydrophobicContact CD2-CD2 4.42Å; F618-L794 HydrophobicContact CG-CD2 4.1Å; F618-P801 HydrophobicContact CB-CG 3.98Å; F618-P801 HydrophobicContact CD1-CB 4.21Å; F618-P801 HydrophobicContact CD1-CG 3.67Å; F618-P801 HydrophobicContact CG-CG 4.28Å; F618-A803 HydrophobicContact CE1-CB 3.8Å; F618-A803 HydrophobicContact CZ-CB 3.77Å
619	R	83.8	Confident	83.6	Confident	64 Å²	64	50.7 Å²	50.7	24%	0.242	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.4	-178.2	-158.5	-174.2	-178.1	130.1	5.5	110.1	V78 R79 F617 E678 E682	V78-R619 WeakPolarHBondContact CA-O 3.19Å; R79-R619 PolarHBondContact N-O 3.24Å; R79-R619 PolarHBondContact O-N 3.19Å; F617-R619 HydrophobicContact CE1-CB 4.11Å; F617-R619 HydrophobicContact CE1-CG 4.35Å; R619-E678 IonicContact CZ-OE1 3.59Å; R619-E678 IonicContact NH1-OE1 2.7Å; R619-E678 PolarHBondContact NH1-OE1 3.2Å; R619-E678 IonicContact NH2-OE1 3.01Å; R619-E682 WeakPolarHBondContact CA-OE1 3.48Å; R619-E682 WeakPolarHBondContact CG-OE1 3.36Å
620	G	82.9	Confident	83.5	Confident	6 Å²	6	52.2 Å²	52.2	6%	0.062	26%	0.259	C	S	.	.			trans	-87	172.9	173.6	0	0	0	0	0	113.1	E682	G620-E682 PolarHBondContact N-OE1 3.22Å; G620-E682 VanDerWaalsContact N-OE1 3.16Å; G620-E682 PolarHBondContact N-OE2 3.48Å
621	N	83.8	Confident	83.5	Confident	126 Å²	126	52.1 Å²	52.1	67%	0.674	26%	0.259	S	S	*	.			trans	-153.8	127.3	167.7	-168.6	41.9	0	0	0	109.9
622	V	85.5	Confident	83.7	Confident	31 Å²	31	51.2 Å²	51.2	19%	0.188	26%	0.259	C	S	.	.			trans	-133.9	166.9	178.2	-74.4	0	0	0	0	109.7	L684 F685 V688	V622-L684 HydrophobicContact CG2-CB 3.83Å; V622-F685 HydrophobicContact CG1-CD2 4.02Å; V622-F685 HydrophobicContact CG2-CB 4.42Å; V622-V688 HydrophobicContact CG1-CB 4.21Å; V622-V688 HydrophobicContact CG1-CG1 4.28Å; V622-V688 HydrophobicContact CG1-CG2 4.25Å
623	T	89.1	Confident	84.3	Confident	63 Å²	63	53 Å²	53	39%	0.387	26%	0.26	S	S	.	.			trans	-70.5	153.4	168.7	70.6	0	0	0	0	110.2	E625 E626 G627	T623-E625 VanDerWaalsContact C-N 3.28Å; T623-E626 WeakPolarHBondContact CB-OE2 3.26Å; T623-E626 WeakPolarHBondContact CG2-OE2 3.34Å; T623-E626 VanDerWaalsContact OG1-CB 3.3Å; T623-E626 WeakPolarHBondContact OG1-CB 3.15Å; T623-E626 WeakPolarHBondContact OG1-CG 3.23Å; T623-E626 PolarHBondContact OG1-N 2.72Å; T623-E626 PolarHBondContact OG1-OE2 3Å; T623-G627 PolarHBondContact O-N 3.39Å
624	V	86.3	Confident	84.7	Confident	62 Å²	62	56.8 Å²	56.8	38%	0.376	29%	0.289	S	S	.	.	H	α-helix	trans	-71.2	-33.6	-177.8	177.5	0	0	0	0	110.1	L628 L666	V624-L628 VanDerWaalsContact O-CB 3.23Å; V624-L628 WeakPolarHBondContact O-CB 3.18Å; V624-L628 PolarHBondContact O-N 3.28Å; V624-L666 HydrophobicContact CG1-CB 4.04Å; V624-L666 HydrophobicContact CG1-CD1 4.08Å; V624-L666 HydrophobicContact CG1-CD2 4.13Å; V624-L666 HydrophobicContact CG1-CG 4.31Å
625	E	86.9	Confident	85.3	Confident	146 Å²	146	58.2 Å²	58.2	68%	0.682	30%	0.296	S	S	*	.	H	α-helix	trans	-67.4	-47	-179.8	-61.1	80.2	178.6	0	0	112.1	T623 H629	T623-E625 VanDerWaalsContact C-N 3.28Å; E625-H629 WeakPolarHBondContact O-CB 3.31Å; E625-H629 PolarHBondContact O-N 2.87Å
626	E	86.1	Confident	85.9	Confident	104 Å²	104	56.6 Å²	56.6	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-47.1	174.9	-69.6	162.7	151.8	0	0	111	T623 L628 H629 D630 V688	T623-E626 WeakPolarHBondContact CB-OE2 3.26Å; T623-E626 WeakPolarHBondContact CG2-OE2 3.34Å; T623-E626 VanDerWaalsContact OG1-CB 3.3Å; T623-E626 WeakPolarHBondContact OG1-CB 3.15Å; T623-E626 WeakPolarHBondContact OG1-CG 3.23Å; T623-E626 PolarHBondContact OG1-N 2.72Å; T623-E626 PolarHBondContact OG1-OE2 3Å; E626-L628 PolarHBondContact O-N 3.37Å; E626-H629 PolarHBondContact O-N 3.41Å; E626-D630 PolarHBondContact O-N 3.36Å; E626-V688 HydrophobicContact CB-CG2 4.31Å
627	G	87	Confident	86.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-38.6	-179	0	0	0	0	0	114	T623 L631	T623-G627 PolarHBondContact O-N 3.39Å; G627-L631 VanDerWaalsContact O-CB 3.25Å; G627-L631 WeakPolarHBondContact O-CB 3.18Å; G627-L631 PolarHBondContact O-N 3.17Å; G627-L631 VanDerWaalsContact O-N 3.14Å
628	L	87.8	Confident	86.6	Confident	28 Å²	28	56.7 Å²	56.7	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-37.2	179	-172.4	67.9	0	0	0	111.6	V624 E626 D630 L631 E632 K663	V624-L628 VanDerWaalsContact O-CB 3.23Å; V624-L628 WeakPolarHBondContact O-CB 3.18Å; V624-L628 PolarHBondContact O-N 3.28Å; E626-L628 PolarHBondContact O-N 3.37Å; L628-D630 PolarHBondContact O-N 3.08Å; L628-L631 PolarHBondContact O-N 3.21Å; L628-E632 WeakPolarHBondContact O-CG 3.25Å; L628-E632 PolarHBondContact O-N 3Å; L628-E632 VanDerWaalsContact O-N 3.14Å; L628-K663 HydrophobicContact CD1-CB 4.29Å; L628-K663 HydrophobicContact CD1-CG 4.45Å; L628-K663 HydrophobicContact CD2-CG 4.29Å
629	H	89.4	Confident	86.7	Confident	136 Å²	136	56.7 Å²	56.7	63%	0.63	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-48	174.3	175.2	-84	0	0	0	111.6	E625 E626 L631 E632	E625-H629 WeakPolarHBondContact O-CB 3.31Å; E625-H629 PolarHBondContact O-N 2.87Å; E626-H629 PolarHBondContact O-N 3.41Å; H629-L631 VanDerWaalsContact C-N 3.33Å; H629-L631 PolarHBondContact O-N 2.9Å; H629-E632 PolarHBondContact O-N 3.46Å
630	D	89.3	Confident	86.3	Confident	35 Å²	35	60.9 Å²	60.9	19%	0.187	33%	0.328	C	S	.	.	H	α-helix	trans	-78.9	-16.2	-176.3	-67.5	-7.2	0	0	0	113.5	E626 L628 A687 V688 A691 R725	E626-D630 PolarHBondContact O-N 3.36Å; L628-D630 PolarHBondContact O-N 3.08Å; D630-A687 HydrophobicContact CB-CB 4.34Å; D630-V688 HydrophobicContact CB-CG2 4.49Å; D630-A691 HydrophobicContact CB-CB 4.2Å; D630-R725 PolarHBondContact O-NH2 3.4Å
631	L	88.6	Confident	86	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-83	-26.6	173.4	-176.1	65.5	0	0	0	112.8	G627 L628 H629 H633 V636 L638 I659 I662 V683 L684 A687 L723	G627-L631 VanDerWaalsContact O-CB 3.25Å; G627-L631 WeakPolarHBondContact O-CB 3.18Å; G627-L631 PolarHBondContact O-N 3.17Å; G627-L631 VanDerWaalsContact O-N 3.14Å; L628-L631 PolarHBondContact O-N 3.21Å; H629-L631 VanDerWaalsContact C-N 3.33Å; H629-L631 PolarHBondContact O-N 2.9Å; L631-H633 PolarHBondContact O-N 3.41Å; L631-V636 HydrophobicContact CD1-CG1 4.08Å; L631-L638 HydrophobicContact CD1-CD1 4.5Å; L631-L638 HydrophobicContact CD1-CD2 4.11Å; L631-L638 HydrophobicContact CD1-CG 4.42Å; L631-I659 HydrophobicContact CG-CG2 4.46Å; L631-I662 HydrophobicContact CD2-CG2 4.44Å; L631-V683 HydrophobicContact CD1-CG1 4Å; L631-V683 HydrophobicContact CD2-CG1 4.47Å; L631-L684 HydrophobicContact CD2-CD2 4.35Å; L631-A687 HydrophobicContact CB-CB 4.45Å; L631-L723 HydrophobicContact CD1-CD1 4.27Å
632	E	86.8	Confident	86	Confident	94 Å²	94	60.9 Å²	60.9	44%	0.439	32%	0.322	S	S	.	.	S	Bend	trans	-79.2	3.9	176.4	-73.9	-178.7	-168.5	0	0	113.4	L628 H629 K663	L628-E632 WeakPolarHBondContact O-CG 3.25Å; L628-E632 PolarHBondContact O-N 3Å; L628-E632 VanDerWaalsContact O-N 3.14Å; H629-E632 PolarHBondContact O-N 3.46Å; E632-K663 VanDerWaalsContact CD-NZ 3.34Å; E632-K663 WeakPolarHBondContact OE1-CD 3.16Å; E632-K663 VanDerWaalsContact OE1-CE 3.24Å; E632-K663 WeakPolarHBondContact OE1-CE 3.25Å; E632-K663 IonicContact OE1-NZ 2.88Å; E632-K663 PolarHBondContact OE1-NZ 2.8Å; E632-K663 IonicContact OE2-NZ 3.74Å; E632-K663 PolarHBondContact OE2-NZ 3.23Å
633	H	86.4	Confident	85.9	Confident	64 Å²	64	61.8 Å²	61.8	30%	0.296	33%	0.328	S	S	.	.	S	Bend	trans	-78.8	135.1	-177.5	-152.6	-96.1	0	0	0	112.3	L631 D635 V636 E694	L631-H633 PolarHBondContact O-N 3.41Å; H633-D635 IonicContact CE1-OD1 3.44Å; H633-D635 IonicContact CG-OD1 2.8Å; H633-D635 IonicContact ND1-OD1 2.84Å; H633-D635 PolarHBondContact ND1-OD1 3.28Å; H633-D635 PolarHBondContact O-N 2.88Å; H633-D635 VanDerWaalsContact O-N 3.08Å; H633-V636 HydrophobicContact CB-CG2 4.27Å; H633-V636 WeakPolarHBondContact O-CB 3.39Å; H633-V636 PolarHBondContact O-N 3.26Å; H633-E694 IonicContact CE1-OE1 2.71Å; H633-E694 PolarHBondContact CE1-OE1 3.28Å; H633-E694 IonicContact CE1-OE2 2.74Å; H633-E694 IonicContact NE2-OE2 3.21Å
634	P	84.8	Confident	85.8	Confident	123 Å²	123	58.9 Å²	58.9	80%	0.799	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-7.5	-169.2	26.4	-37.7	0	0	0	116.5
635	D	84.7	Confident	85.9	Confident	29 Å²	29	56 Å²	56	16%	0.155	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.7	171.7	73.7	-55.7	0	0	0	113	H633 R725 I726	H633-D635 IonicContact CE1-OD1 3.44Å; H633-D635 IonicContact CG-OD1 2.8Å; H633-D635 IonicContact ND1-OD1 2.84Å; H633-D635 PolarHBondContact ND1-OD1 3.28Å; H633-D635 PolarHBondContact O-N 2.88Å; H633-D635 VanDerWaalsContact O-N 3.08Å; D635-R725 VanDerWaalsContact O-CA 3.31Å; D635-R725 WeakPolarHBondContact O-CA 3.2Å; D635-R725 IonicContact OD1-NH1 3.65Å; D635-R725 PolarHBondContact OD1-NH1 3.01Å; D635-R725 VanDerWaalsContact OD2-CD 3.31Å; D635-R725 WeakPolarHBondContact OD2-CD 3.27Å; D635-R725 WeakPolarHBondContact OD2-CG 3.44Å; D635-R725 IonicContact OD2-CZ 3.68Å; D635-R725 IonicContact OD2-NE 3.72Å; D635-R725 IonicContact OD2-NH1 3.97Å; D635-R725 PolarHBondContact OD2-NH1 3.38Å; D635-I726 PolarHBondContact O-N 2.96Å
636	V	88.6	Confident	85.5	Confident	16 Å²	16	51 Å²	51	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.1	-177.3	-175.6	0	0	0	0	111	L631 H633 L723 S724 R725	L631-V636 HydrophobicContact CD1-CG1 4.08Å; H633-V636 HydrophobicContact CB-CG2 4.27Å; H633-V636 WeakPolarHBondContact O-CB 3.39Å; H633-V636 PolarHBondContact O-N 3.26Å; V636-L723 HydrophobicContact CG1-CD1 3.84Å; V636-L723 HydrophobicContact CG1-CD2 4.41Å; V636-L723 HydrophobicContact CG1-CG 3.84Å; V636-S724 WeakPolarHBondContact CA-O 3.27Å; V636-R725 HydrophobicContact CG2-CG 4.08Å; V636-R725 VanDerWaalsContact CG2-NH1 3.32Å
637	A	88.5	Confident	85.1	Confident	45 Å²	45	46.7 Å²	46.7	37%	0.372	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.8	166.1	0	0	0	0	0	110.7	L723 S724	A637-L723 WeakPolarHBondContact O-CA 3.45Å; A637-S724 PolarHBondContact N-O 3.17Å; A637-S724 PolarHBondContact O-N 3.31Å
638	L	88.4	Confident	84.2	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	27%	0.265	C	S	.	.			trans	-108.4	161.3	170	-64.2	-176.1	0	0	0	109.5	L631 D640 Y644 I659 I662 V683 G722 L723	L631-L638 HydrophobicContact CD1-CD1 4.5Å; L631-L638 HydrophobicContact CD1-CD2 4.11Å; L631-L638 HydrophobicContact CD1-CG 4.42Å; L638-D640 PolarHBondContact O-N 2.96Å; L638-D640 VanDerWaalsContact O-N 3.13Å; L638-Y644 HydrophobicContact CB-CE2 3.96Å; L638-Y644 HydrophobicContact CD1-CD2 4.39Å; L638-Y644 HydrophobicContact CD1-CE2 4.2Å; L638-I659 HydrophobicContact CD1-CG1 3.73Å; L638-I659 HydrophobicContact CG-CD1 4.44Å; L638-I659 HydrophobicContact CG-CG1 4.14Å; L638-I662 HydrophobicContact CD1-CD1 3.87Å; L638-V683 HydrophobicContact CD2-CG1 3.8Å; L638-G722 CarbonylContact C-O 3.59Å; L638-L723 HydrophobicContact CD2-CB 3.98Å; L638-L723 HydrophobicContact CD2-CG 4.39Å
639	A	85.2	Confident	83.3	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.033	28%	0.279	C	S	.	.			trans	-69	106.8	174.7	0	0	0	0	0	110.3	E641 W642 Y644 G722 F750	A639-E641 VanDerWaalsContact C-N 3.25Å; A639-E641 PolarHBondContact O-N 2.92Å; A639-W642 HydrophobicContact CB-CB 4.01Å; A639-W642 HydrophobicContact CB-CD2 3.97Å; A639-W642 HydrophobicContact CB-CG 3.69Å; A639-W642 WeakPolarHBondContact O-CB 3.4Å; A639-W642 PolarHBondContact O-N 2.98Å; A639-Y644 PolarHBondContact N-OH 2.82Å; A639-G722 PolarHBondContact N-O 3Å; A639-F750 HydrophobicContact CB-CB 3.53Å; A639-F750 HydrophobicContact CB-CG 4.23Å
640	D	75.5	Confident	82.2	Confident	151 Å²	151	49.6 Å²	49.6	81%	0.807	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.4	-174.2	-68.3	-41	0	0	0	113.6	L638 W642	L638-D640 PolarHBondContact O-N 2.96Å; L638-D640 VanDerWaalsContact O-N 3.13Å; D640-W642 VanDerWaalsContact C-N 3.28Å; D640-W642 PolarHBondContact O-N 2.95Å
641	E	76.8	Confident	81.2	Confident	116 Å²	116	52.2 Å²	52.2	54%	0.542	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.9	178.9	-59	-165.1	151.6	0	0	113.6	A639 N751 A752	A639-E641 VanDerWaalsContact C-N 3.25Å; A639-E641 PolarHBondContact O-N 2.92Å; E641-N751 WeakPolarHBondContact OE2-CA 3.38Å; E641-A752 HydrophobicContact CB-CB 3.96Å; E641-A752 WeakPolarHBondContact OE2-CB 3.45Å; E641-A752 PolarHBondContact OE2-N 2.89Å
642	W	84.1	Confident	80.4	Confident	16 Å²	16	58.8 Å²	58.8	6%	0.061	31%	0.313	C	S	.	.	S	Bend	trans	-94.9	134.6	179.7	-72.8	24.3	0	0	0	111.6	K504 A639 D640 Y644 T721 F750 N751 F755	K504-W642 HydrophobicContact CB-CH2 4.14Å; K504-W642 HydrophobicContact CB-CZ2 3.8Å; A639-W642 HydrophobicContact CB-CB 4.01Å; A639-W642 HydrophobicContact CB-CD2 3.97Å; A639-W642 HydrophobicContact CB-CG 3.69Å; A639-W642 WeakPolarHBondContact O-CB 3.4Å; A639-W642 PolarHBondContact O-N 2.98Å; D640-W642 VanDerWaalsContact C-N 3.28Å; D640-W642 PolarHBondContact O-N 2.95Å; W642-Y644 HydrophobicContact CB-CD2 4.47Å; W642-Y644 HydrophobicContact CB-CE2 3.84Å; W642-Y644 WeakPolarHBondContact O-CD2 3.47Å; W642-Y644 PolarHBondContact O-N 3.15Å; W642-T721 WeakPolarHBondContact CZ3-O 3.32Å; W642-F750 HydrophobicContact CZ2-CD1 4.33Å; W642-N751 PolarHBondContact NE1-O 2.82Å; W642-F755 AromaticContact CH2-CE1 3.97Å; W642-F755 HydrophobicContact CH2-CE1 3.97Å; W642-F755 HydrophobicContact CH2-CE2 4.28Å; W642-F755 AromaticContact CH2-CZ 3.65Å; W642-F755 HydrophobicContact CH2-CZ 3.65Å; W642-F755 HydrophobicContact CZ2-CE1 4.43Å; W642-F755 HydrophobicContact CZ2-CE2 4.39Å; W642-F755 HydrophobicContact CZ2-CZ 4.15Å
643	T	83.9	Confident	79.9	Confident	51 Å²	51	55.2 Å²	55.2	31%	0.313	30%	0.296	S	S	.	.			trans	-89.3	95.9	179.8	-47	0	0	0	0	111.2	N646	T643-N646 HydrophobicContact CG2-CB 4.42Å
644	Y	87.6	Confident	79.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.008	29%	0.292	C	S	.	.	S	Bend	trans	-80.4	-43.4	170.8	-56.8	-94.8	0	0	0	110.7	L638 A639 W642 Q658 I662 C675 D676 L679 V683 T721	L638-Y644 HydrophobicContact CB-CE2 3.96Å; L638-Y644 HydrophobicContact CD1-CD2 4.39Å; L638-Y644 HydrophobicContact CD1-CE2 4.2Å; A639-Y644 PolarHBondContact N-OH 2.82Å; W642-Y644 HydrophobicContact CB-CD2 4.47Å; W642-Y644 HydrophobicContact CB-CE2 3.84Å; W642-Y644 WeakPolarHBondContact O-CD2 3.47Å; W642-Y644 PolarHBondContact O-N 3.15Å; Y644-Q658 HydrophobicContact CD2-CB 4.05Å; Y644-Q658 HydrophobicContact CD2-CG 4.1Å; Y644-I662 HydrophobicContact CD1-CD1 4.42Å; Y644-I662 HydrophobicContact CG-CD1 4.18Å; Y644-C675 WeakPolarHBondContact O-CA 3.43Å; Y644-C675 WeakPolarHBondContact O-CB 3.3Å; Y644-D676 PolarHBondContact O-N 3.31Å; Y644-L679 HydrophobicContact CD1-CD1 4.44Å; Y644-L679 HydrophobicContact CD1-CD2 3.48Å; Y644-L679 VanDerWaalsContact CD1-CD2 3.48Å; Y644-L679 HydrophobicContact CD1-CG 3.67Å; Y644-L679 HydrophobicContact CE1-CD1 4.17Å; Y644-L679 HydrophobicContact CE1-CD2 3.74Å; Y644-L679 HydrophobicContact CE1-CG 3.9Å; Y644-L679 HydrophobicContact CG-CD2 4.21Å; Y644-V683 HydrophobicContact CD1-CG2 3.98Å; Y644-V683 HydrophobicContact CE1-CG2 3.58Å; Y644-T721 WeakPolarHBondContact CE1-O 3.47Å; Y644-T721 PolarHBondContact OH-O 3.02Å
645	C	86.8	Confident	78.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-128.1	135.6	172.4	-73.2	0	0	0	0	109.8	T647 Q658 A661 L673 C675	C645-T647 PolarHBondContact O-N 3.37Å; C645-T647 VanDerWaalsContact O-N 3.09Å; C645-Q658 PolarHBondContact O-NE2 3.3Å; C645-Q658 PolarHBondContact O-OE1 3.47Å; C645-A661 HydrophobicContact CB-CB 3.76Å; C645-L673 HydrophobicContact CB-CD1 4.36Å; C645-L673 HydrophobicContact CB-CD2 4.23Å; C645-L673 HydrophobicContact CB-CG 4.26Å; C645-C675 HydrophobicContact CB-CB 4.03Å; C645-C675 WeakPolarHBondContact CB-SG 3.49Å; C645-C675 WeakPolarHBondContact SG-CB 3.47Å; C645-C675 CovalentContact SG-SG 2.04Å; C645-C675 PolarHBondContact SG-SG 2.96Å
646	N	79.9	Confident	78.7	Confident	41 Å²	41	56.5 Å²	56.5	22%	0.219	28%	0.283	C	S	.	.			trans	-78.4	94.5	177.4	-166.9	-3.4	0	0	0	110.6	T643 D648 E649 H674	T643-N646 HydrophobicContact CG2-CB 4.42Å; N646-D648 PolarHBondContact OD1-N 2.99Å; N646-E649 VanDerWaalsContact ND2-CD 3.34Å; N646-E649 WeakPolarHBondContact ND2-CG 3.36Å; N646-E649 PolarHBondContact ND2-OE1 3.14Å; N646-H674 PolarHBondContact N-O 2.86Å
647	T	76.8	Confident	78.5	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.092	30%	0.296	C	S	.	.			trans	-82.8	-16.2	175.9	47.7	0	0	0	0	113	C645 H653 R654 L656 A661	C645-T647 PolarHBondContact O-N 3.37Å; C645-T647 VanDerWaalsContact O-N 3.09Å; T647-H653 WeakPolarHBondContact CB-O 3.39Å; T647-H653 HydrophobicContact CG2-CB 4.33Å; T647-H653 WeakPolarHBondContact CG2-O 3.34Å; T647-R654 WeakPolarHBondContact O-CG 3.34Å; T647-L656 HydrophobicContact CG2-CB 4.47Å; T647-A661 HydrophobicContact CG2-CB 4.03Å
648	D	68.5	Low	78.4	Confident	55 Å²	55	57.6 Å²	57.6	29%	0.294	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-29.3	-174.8	-68.2	-37	0	0	0	113.6	K500 N646 H650 R654	K500-D648 IonicContact NZ-OD2 3.07Å; K500-D648 PolarHBondContact NZ-OD2 3.23Å; N646-D648 PolarHBondContact OD1-N 2.99Å; D648-H650 PolarHBondContact O-N 3.28Å; D648-H650 VanDerWaalsContact O-N 3.17Å; D648-R654 PolarHBondContact O-NE 2.9Å; D648-R654 PolarHBondContact O-NH2 2.91Å
649	E	68.3	Low	78.3	Confident	93 Å²	93	59.3 Å²	59.3	44%	0.435	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.6	-179	-99.7	174.1	-138.1	0	0	113.8	N646	N646-E649 VanDerWaalsContact ND2-CD 3.34Å; N646-E649 WeakPolarHBondContact ND2-CG 3.36Å; N646-E649 PolarHBondContact ND2-OE1 3.14Å
650	H	67.7	Low	78.4	Confident	77 Å²	77	63.6 Å²	63.6	36%	0.356	31%	0.313	S	S	.	.	S	Bend	trans	-139.3	127.1	-176.9	-158.3	-96.1	0	0	0	111.6	D648 K652 H653	D648-H650 PolarHBondContact O-N 3.28Å; D648-H650 VanDerWaalsContact O-N 3.17Å; H650-K652 PolarHBondContact O-N 3.26Å; H650-H653 PolarHBondContact O-N 3.25Å
651	P	68.1	Low	79	Confident	89 Å²	89	56.4 Å²	56.4	58%	0.578	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-26	-176.6	-28.6	35.1	0	0	0	114.9	H653	P651-H653 VanDerWaalsContact C-N 3.3Å; P651-H653 PolarHBondContact O-N 2.87Å
652	K	71.2	Confident	79.6	Confident	141 Å²	141	50.9 Å²	50.9	61%	0.613	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.2	176.9	-60.8	-174.2	179.3	178.5	0	115	H650 Y655	H650-K652 PolarHBondContact O-N 3.26Å; K652-Y655 WeakPolarHBondContact O-CE1 3.36Å
653	H	75.8	Confident	79.7	Confident	18 Å²	18	54.1 Å²	54.1	8%	0.083	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-13	-179.2	-55.1	158.4	0	0	0	112.6	T647 H650 P651 Y655 L656 L673	T647-H653 WeakPolarHBondContact CB-O 3.39Å; T647-H653 HydrophobicContact CG2-CB 4.33Å; T647-H653 WeakPolarHBondContact CG2-O 3.34Å; H650-H653 PolarHBondContact O-N 3.25Å; P651-H653 VanDerWaalsContact C-N 3.3Å; P651-H653 PolarHBondContact O-N 2.87Å; H653-Y655 VanDerWaalsContact C-N 3.28Å; H653-Y655 PolarHBondContact O-N 2.86Å; H653-L656 HydrophobicContact CB-CD1 4.22Å; H653-L656 WeakPolarHBondContact O-CB 3.23Å; H653-L656 WeakPolarHBondContact O-CG 3.48Å; H653-L656 PolarHBondContact O-N 2.69Å; H653-L656 VanDerWaalsContact O-N 3.08Å; H653-L673 HydrophobicContact CB-CD1 4.36Å
654	R	71.8	Confident	79.9	Confident	54 Å²	54	54.4 Å²	54.4	20%	0.204	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.3	-174.7	-68.9	-178.6	-179.5	176.1	-9.3	115.3	H154 T647 D648 L656	H154-R654 PolarHBondContact ND1-NH2 2.88Å; T647-R654 WeakPolarHBondContact O-CG 3.34Å; D648-R654 PolarHBondContact O-NE 2.9Å; D648-R654 PolarHBondContact O-NH2 2.91Å; R654-L656 VanDerWaalsContact C-N 3.3Å
655	Y	77.9	Confident	79.9	Confident	175 Å²	175	57.8 Å²	57.8	69%	0.686	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.6	176.7	67.2	-99.9	0	0	0	113.6	K652 H653	K652-Y655 WeakPolarHBondContact O-CE1 3.36Å; H653-Y655 VanDerWaalsContact C-N 3.28Å; H653-Y655 PolarHBondContact O-N 2.86Å
656	L	81.4	Confident	79.9	Confident	14 Å²	14	60.2 Å²	60.2	7%	0.073	29%	0.288	C	S	.	.	S	Bend	trans	-84.6	133.6	-178.5	-59.5	172.2	0	0	0	110.4	T647 H653 R654 E660 A661 M664	T647-L656 HydrophobicContact CG2-CB 4.47Å; H653-L656 HydrophobicContact CB-CD1 4.22Å; H653-L656 WeakPolarHBondContact O-CB 3.23Å; H653-L656 WeakPolarHBondContact O-CG 3.48Å; H653-L656 PolarHBondContact O-N 2.69Å; H653-L656 VanDerWaalsContact O-N 3.08Å; R654-L656 VanDerWaalsContact C-N 3.3Å; L656-E660 HydrophobicContact CB-CB 4.48Å; L656-E660 HydrophobicContact CD2-CB 4.36Å; L656-A661 HydrophobicContact CB-CB 4.48Å; L656-M664 HydrophobicContact CD1-CE 4.39Å; L656-M664 HydrophobicContact CD1-SD 3.71Å; L656-M664 HydrophobicContact CD2-CE 3.54Å; L656-M664 HydrophobicContact CD2-SD 4Å
657	S	84.6	Confident	80.1	Confident	55 Å²	55	61.4 Å²	61.4	39%	0.385	30%	0.299	S	S	.	.			trans	-64.4	158	163	64.6	0	0	0	0	111	I659 E660 A661	S657-I659 PolarHBondContact O-N 3.19Å; S657-E660 WeakPolarHBondContact CB-OE2 3.33Å; S657-E660 PolarHBondContact N-OE2 3.45Å; S657-E660 PolarHBondContact O-N 2.81Å; S657-E660 WeakPolarHBondContact OG-CB 3.48Å; S657-E660 VanDerWaalsContact OG-CD 3.25Å; S657-E660 WeakPolarHBondContact OG-CG 3.39Å; S657-E660 PolarHBondContact OG-N 2.79Å; S657-E660 PolarHBondContact OG-OE2 3.37Å; S657-A661 WeakPolarHBondContact O-CB 3.4Å; S657-A661 PolarHBondContact O-N 2.99Å
658	Q	86.5	Confident	80.3	Confident	30 Å²	30	63.4 Å²	63.4	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-34.6	177.5	-69.9	-67.1	-50.5	0	0	112	Y644 C645 A661 I662	Y644-Q658 HydrophobicContact CD2-CB 4.05Å; Y644-Q658 HydrophobicContact CD2-CG 4.1Å; C645-Q658 PolarHBondContact O-NE2 3.3Å; C645-Q658 PolarHBondContact O-OE1 3.47Å; Q658-A661 PolarHBondContact O-N 3.23Å; Q658-I662 WeakPolarHBondContact O-CB 3.18Å; Q658-I662 WeakPolarHBondContact O-CD1 3.28Å; Q658-I662 WeakPolarHBondContact O-CG1 3.45Å; Q658-I662 PolarHBondContact O-N 2.99Å
659	I	86.9	Confident	80.6	Confident	49 Å²	49	67.5 Å²	67.5	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-44.5	176.6	-61	174.8	0	0	0	111.1	L631 L638 S657 I662 K663	L631-I659 HydrophobicContact CG-CG2 4.46Å; L638-I659 HydrophobicContact CD1-CG1 3.73Å; L638-I659 HydrophobicContact CG-CD1 4.44Å; L638-I659 HydrophobicContact CG-CG1 4.14Å; S657-I659 PolarHBondContact O-N 3.19Å; I659-I662 PolarHBondContact O-N 3.48Å; I659-K663 WeakPolarHBondContact O-CB 3.07Å; I659-K663 PolarHBondContact O-N 3.05Å
660	E	87.3	Confident	80.8	Confident	93 Å²	93	66 Å²	66	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-39.3	175.2	-70.4	164.9	131	0	0	112.2	L656 S657 K663 M664	L656-E660 HydrophobicContact CB-CB 4.48Å; L656-E660 HydrophobicContact CD2-CB 4.36Å; S657-E660 WeakPolarHBondContact CB-OE2 3.33Å; S657-E660 PolarHBondContact N-OE2 3.45Å; S657-E660 PolarHBondContact O-N 2.81Å; S657-E660 WeakPolarHBondContact OG-CB 3.48Å; S657-E660 VanDerWaalsContact OG-CD 3.25Å; S657-E660 WeakPolarHBondContact OG-CG 3.39Å; S657-E660 PolarHBondContact OG-N 2.79Å; S657-E660 PolarHBondContact OG-OE2 3.37Å; E660-K663 WeakPolarHBondContact O-CB 3.14Å; E660-K663 PolarHBondContact O-N 2.79Å; E660-M664 WeakPolarHBondContact O-CG 3.3Å; E660-M664 PolarHBondContact O-N 3.29Å
661	A	86.9	Confident	80.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-45.8	175.6	0	0	0	0	0	111.4	C645 T647 L656 S657 Q658 K663 M664 Y665 L673	C645-A661 HydrophobicContact CB-CB 3.76Å; T647-A661 HydrophobicContact CG2-CB 4.03Å; L656-A661 HydrophobicContact CB-CB 4.48Å; S657-A661 WeakPolarHBondContact O-CB 3.4Å; S657-A661 PolarHBondContact O-N 2.99Å; Q658-A661 PolarHBondContact O-N 3.23Å; A661-K663 VanDerWaalsContact C-N 3.34Å; A661-K663 PolarHBondContact O-N 3.22Å; A661-M664 PolarHBondContact O-N 3.28Å; A661-Y665 WeakPolarHBondContact O-CB 2.86Å; A661-Y665 PolarHBondContact O-N 3.41Å; A661-L673 HydrophobicContact CB-CD2 4.01Å; A661-L673 VanDerWaalsContact O-CD2 3.27Å; A661-L673 WeakPolarHBondContact O-CD2 3.36Å
662	I	88.9	Confident	80.9	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-45	172.8	-70.2	165	0	0	0	110.7	L631 L638 Y644 Q658 I659 M664 Y665 L666 I680	L631-I662 HydrophobicContact CD2-CG2 4.44Å; L638-I662 HydrophobicContact CD1-CD1 3.87Å; Y644-I662 HydrophobicContact CD1-CD1 4.42Å; Y644-I662 HydrophobicContact CG-CD1 4.18Å; Q658-I662 WeakPolarHBondContact O-CB 3.18Å; Q658-I662 WeakPolarHBondContact O-CD1 3.28Å; Q658-I662 WeakPolarHBondContact O-CG1 3.45Å; Q658-I662 PolarHBondContact O-N 2.99Å; I659-I662 PolarHBondContact O-N 3.48Å; I662-M664 PolarHBondContact O-N 2.93Å; I662-Y665 PolarHBondContact O-N 2.83Å; I662-L666 HydrophobicContact CG2-CD1 3.53Å; I662-L666 HydrophobicContact CG2-CG 4.23Å; I662-L666 WeakPolarHBondContact O-CB 3.1Å; I662-L666 VanDerWaalsContact O-CG 3.29Å; I662-L666 WeakPolarHBondContact O-CG 3.5Å; I662-L666 PolarHBondContact O-N 3.27Å; I662-I680 HydrophobicContact CD1-CG1 4.33Å; I662-I680 HydrophobicContact CG1-CD1 3.88Å; I662-I680 HydrophobicContact CG1-CG1 4.03Å; I662-I680 HydrophobicContact CG2-CG2 3.93Å
663	K	87.8	Confident	81.3	Confident	84 Å²	84	66 Å²	66	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-44.6	177.9	-177.6	170	-173.1	158.9	0	112.5	L628 E632 I659 E660 A661 S667	L628-K663 HydrophobicContact CD1-CB 4.29Å; L628-K663 HydrophobicContact CD1-CG 4.45Å; L628-K663 HydrophobicContact CD2-CG 4.29Å; E632-K663 VanDerWaalsContact CD-NZ 3.34Å; E632-K663 WeakPolarHBondContact OE1-CD 3.16Å; E632-K663 VanDerWaalsContact OE1-CE 3.24Å; E632-K663 WeakPolarHBondContact OE1-CE 3.25Å; E632-K663 IonicContact OE1-NZ 2.88Å; E632-K663 PolarHBondContact OE1-NZ 2.8Å; E632-K663 IonicContact OE2-NZ 3.74Å; E632-K663 PolarHBondContact OE2-NZ 3.23Å; I659-K663 WeakPolarHBondContact O-CB 3.07Å; I659-K663 PolarHBondContact O-N 3.05Å; E660-K663 WeakPolarHBondContact O-CB 3.14Å; E660-K663 PolarHBondContact O-N 2.79Å; A661-K663 VanDerWaalsContact C-N 3.34Å; A661-K663 PolarHBondContact O-N 3.22Å; K663-S667 WeakPolarHBondContact O-CB 3.45Å; K663-S667 PolarHBondContact O-N 3.47Å; K663-S667 PolarHBondContact O-OG 3.42Å
664	M	86.8	Confident	81.6	Confident	56 Å²	56	71.3 Å²	71.3	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-39.3	177.5	-70.7	-174.4	-174.6	0	0	112.4	L656 E660 A661 I662 G668 Q669	L656-M664 HydrophobicContact CD1-CE 4.39Å; L656-M664 HydrophobicContact CD1-SD 3.71Å; L656-M664 HydrophobicContact CD2-CE 3.54Å; L656-M664 HydrophobicContact CD2-SD 4Å; E660-M664 WeakPolarHBondContact O-CG 3.3Å; E660-M664 PolarHBondContact O-N 3.29Å; A661-M664 PolarHBondContact O-N 3.28Å; I662-M664 PolarHBondContact O-N 2.93Å; M664-G668 PolarHBondContact O-N 3.21Å; M664-Q669 PolarHBondContact O-N 3.04Å; M664-Q669 VanDerWaalsContact O-N 3.08Å
665	Y	87.4	Confident	82.4	Confident	73 Å²	73	69.2 Å²	69.2	29%	0.286	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-51.6	174.7	175.5	-106	0	0	0	112	A661 I662 S667 G668 C675 I680	A661-Y665 WeakPolarHBondContact O-CB 2.86Å; A661-Y665 PolarHBondContact O-N 3.41Å; I662-Y665 PolarHBondContact O-N 2.83Å; Y665-S667 VanDerWaalsContact C-N 3.34Å; Y665-S667 PolarHBondContact O-N 3.45Å; Y665-G668 PolarHBondContact O-N 3.1Å; Y665-G668 VanDerWaalsContact O-N 3.13Å; Y665-C675 HydrophobicContact CD1-CB 4.12Å; Y665-C675 HydrophobicContact CD2-CB 4.05Å; Y665-C675 HydrophobicContact CE1-CB 4.2Å; Y665-C675 HydrophobicContact CE2-CB 4.13Å; Y665-C675 HydrophobicContact CG-CB 4.06Å; Y665-C675 VanDerWaalsContact CG-SG 3.58Å; Y665-I680 HydrophobicContact CD1-CD1 4.02Å; Y665-I680 HydrophobicContact CE1-CD1 4.25Å
666	L	86.7	Confident	82.9	Confident	52 Å²	52	63.1 Å²	63.1	27%	0.272	33%	0.328	S	S	.	.	H	α-helix	trans	-67.3	-33.7	-179.7	-67.6	171.3	0	0	0	112.6	V624 I662 G668 I680 L684	V624-L666 HydrophobicContact CG1-CB 4.04Å; V624-L666 HydrophobicContact CG1-CD1 4.08Å; V624-L666 HydrophobicContact CG1-CD2 4.13Å; V624-L666 HydrophobicContact CG1-CG 4.31Å; I662-L666 HydrophobicContact CG2-CD1 3.53Å; I662-L666 HydrophobicContact CG2-CG 4.23Å; I662-L666 WeakPolarHBondContact O-CB 3.1Å; I662-L666 VanDerWaalsContact O-CG 3.29Å; I662-L666 WeakPolarHBondContact O-CG 3.5Å; I662-L666 PolarHBondContact O-N 3.27Å; L666-G668 PolarHBondContact O-N 3.25Å; L666-I680 HydrophobicContact CD1-CG2 4.15Å; L666-I680 HydrophobicContact CD2-CG2 4.21Å; L666-I680 HydrophobicContact CG-CG2 4.45Å; L666-L684 HydrophobicContact CD1-CD1 4.05Å; L666-L684 HydrophobicContact CD1-CD2 4.39Å
667	S	84.1	Confident	83.2	Confident	65 Å²	65	68.3 Å²	68.3	46%	0.455	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.2	174.4	-55.9	0	0	0	0	113.8	K663 Y665 Q669	K663-S667 WeakPolarHBondContact O-CB 3.45Å; K663-S667 PolarHBondContact O-N 3.47Å; K663-S667 PolarHBondContact O-OG 3.42Å; Y665-S667 VanDerWaalsContact C-N 3.34Å; Y665-S667 PolarHBondContact O-N 3.45Å; S667-Q669 VanDerWaalsContact C-N 3.28Å; S667-Q669 PolarHBondContact O-N 3.36Å
668	G	80.9	Confident	83.4	Confident	58 Å²	58	68.9 Å²	68.9	60%	0.598	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	22	-178.9	0	0	0	0	0	114.9	M664 Y665 L666	M664-G668 PolarHBondContact O-N 3.21Å; Y665-G668 PolarHBondContact O-N 3.1Å; Y665-G668 VanDerWaalsContact O-N 3.13Å; L666-G668 PolarHBondContact O-N 3.25Å
669	Q	76	Confident	83.5	Confident	141 Å²	141	67.7 Å²	67.7	66%	0.659	34%	0.342	S	S	*	.	S	Bend	trans	-76.2	-33.3	-173.3	-73	-175.9	-6.2	0	0	113.6	M664 S667	M664-Q669 PolarHBondContact O-N 3.04Å; M664-Q669 VanDerWaalsContact O-N 3.08Å; S667-Q669 VanDerWaalsContact C-N 3.28Å; S667-Q669 PolarHBondContact O-N 3.36Å
670	E	71.3	Confident	83.7	Confident	62 Å²	62	65.5 Å²	65.5	29%	0.29	33%	0.331	S	S	.	.			trans	-134.9	105.6	175.4	-176.7	62.9	-125.3	0	0	110.7	R672 L673	E670-R672 HydrophobicContact CG-CB 4.17Å; E670-R672 PolarHBondContact O-N 3.18Å; E670-R672 WeakPolarHBondContact OE1-CB 3.41Å; E670-R672 VanDerWaalsContact OE1-CG 3.3Å; E670-R672 WeakPolarHBondContact OE1-CG 3.22Å; E670-R672 IonicContact OE1-NH1 2.69Å; E670-R672 PolarHBondContact OE1-NH1 3.1Å; E670-L673 PolarHBondContact O-N 2.88Å
671	P	68.9	Low	83.8	Confident	120 Å²	120	63.8 Å²	63.8	78%	0.779	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-3	-177.8	31.3	-36.2	0	0	0	113.9
672	R	70.1	Confident	84	Confident	178 Å²	178	63.9 Å²	63.9	67%	0.672	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.8	175.4	-69.1	-173.1	-179.9	83.1	-1.7	114.3	E670 H674	E670-R672 HydrophobicContact CG-CB 4.17Å; E670-R672 PolarHBondContact O-N 3.18Å; E670-R672 WeakPolarHBondContact OE1-CB 3.41Å; E670-R672 VanDerWaalsContact OE1-CG 3.3Å; E670-R672 WeakPolarHBondContact OE1-CG 3.22Å; E670-R672 IonicContact OE1-NH1 2.69Å; E670-R672 PolarHBondContact OE1-NH1 3.1Å; R672-H674 PolarHBondContact O-N 3.34Å
673	L	80.3	Confident	84.1	Confident	9 Å²	9	63.9 Å²	63.9	5%	0.047	32%	0.323	C	S	.	.			trans	-78.5	114.4	-179.8	-172.6	67.2	0	0	0	110	C645 H653 A661 E670	C645-L673 HydrophobicContact CB-CD1 4.36Å; C645-L673 HydrophobicContact CB-CD2 4.23Å; C645-L673 HydrophobicContact CB-CG 4.26Å; H653-L673 HydrophobicContact CB-CD1 4.36Å; A661-L673 HydrophobicContact CB-CD2 4.01Å; A661-L673 VanDerWaalsContact O-CD2 3.27Å; A661-L673 WeakPolarHBondContact O-CD2 3.36Å; E670-L673 PolarHBondContact O-N 2.88Å
674	H	82	Confident	84.3	Confident	129 Å²	129	60.1 Å²	60.1	60%	0.597	31%	0.307	S	S	*	.			trans	-85.5	121.5	177.5	-166.7	64.1	0	0	0	110.6	N646 R672	N646-H674 PolarHBondContact N-O 2.86Å; R672-H674 PolarHBondContact O-N 3.34Å
675	C	87.8	Confident	84.5	Confident	9 Å²	9	57.6 Å²	57.6	6%	0.061	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-134.3	149.6	-178.8	-52.8	0	0	0	0	112	Y644 C645 Y665 K677 I680	Y644-C675 WeakPolarHBondContact O-CA 3.43Å; Y644-C675 WeakPolarHBondContact O-CB 3.3Å; C645-C675 HydrophobicContact CB-CB 4.03Å; C645-C675 WeakPolarHBondContact CB-SG 3.49Å; C645-C675 WeakPolarHBondContact SG-CB 3.47Å; C645-C675 CovalentContact SG-SG 2.04Å; C645-C675 PolarHBondContact SG-SG 2.96Å; Y665-C675 HydrophobicContact CD1-CB 4.12Å; Y665-C675 HydrophobicContact CD2-CB 4.05Å; Y665-C675 HydrophobicContact CE1-CB 4.2Å; Y665-C675 HydrophobicContact CE2-CB 4.13Å; Y665-C675 HydrophobicContact CG-CB 4.06Å; Y665-C675 VanDerWaalsContact CG-SG 3.58Å; C675-K677 PolarHBondContact O-N 2.6Å; C675-I680 HydrophobicContact CB-CD1 3.59Å
676	D	88.1	Confident	84.8	Confident	47 Å²	47	54.1 Å²	54.1	25%	0.251	28%	0.281	S	S	.	.			trans	-76.6	96	172.4	-172.4	-14.7	0	0	0	110.2	Y505 Y644 E678 L679 I680	Y505-D676 WeakPolarHBondContact CE1-OD2 3.45Å; Y505-D676 VanDerWaalsContact OH-CG 3.26Å; Y505-D676 PolarHBondContact OH-OD1 3.44Å; Y505-D676 PolarHBondContact OH-OD2 2.97Å; Y644-D676 PolarHBondContact O-N 3.31Å; D676-E678 PolarHBondContact O-N 2.83Å; D676-E678 WeakPolarHBondContact OD1-CA 3.47Å; D676-E678 WeakPolarHBondContact OD1-CB 3.46Å; D676-E678 PolarHBondContact OD1-N 2.87Å; D676-L679 HydrophobicContact CB-CB 3.96Å; D676-L679 PolarHBondContact O-N 2.68Å; D676-L679 PolarHBondContact OD1-N 2.92Å; D676-I680 WeakPolarHBondContact O-CG1 3.25Å; D676-I680 PolarHBondContact O-N 3.01Å
677	K	88.4	Confident	85	Confident	123 Å²	123	51.7 Å²	51.7	54%	0.535	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-30.3	177	-176.2	172.4	179.7	174.4	0	113.4	C675 Q681	C675-K677 PolarHBondContact O-N 2.6Å; K677-Q681 WeakPolarHBondContact O-CB 3.01Å; K677-Q681 VanDerWaalsContact O-CG 3.23Å; K677-Q681 WeakPolarHBondContact O-CG 3.14Å; K677-Q681 PolarHBondContact O-N 3.02Å
678	E	88.3	Confident	85.4	Confident	67 Å²	67	49.8 Å²	49.8	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-73.7	-43.4	178.9	-56.1	-163.8	121.6	0	0	110.7	K506 R619 D676 Q681 E682	K506-E678 WeakPolarHBondContact CE-OE2 3.21Å; K506-E678 IonicContact NZ-OE2 2.94Å; K506-E678 PolarHBondContact NZ-OE2 3.31Å; R619-E678 IonicContact CZ-OE1 3.59Å; R619-E678 IonicContact NH1-OE1 2.7Å; R619-E678 PolarHBondContact NH1-OE1 3.2Å; R619-E678 IonicContact NH2-OE1 3.01Å; D676-E678 PolarHBondContact O-N 2.83Å; D676-E678 WeakPolarHBondContact OD1-CA 3.47Å; D676-E678 WeakPolarHBondContact OD1-CB 3.46Å; D676-E678 PolarHBondContact OD1-N 2.87Å; E678-Q681 PolarHBondContact O-N 3.25Å; E678-E682 PolarHBondContact O-N 2.73Å
679	L	89.7	Confident	85.9	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-47.9	175.3	-179.9	52.9	0	0	0	111.7	Y505 Y644 D676 Q681 E682 V683 T721	Y505-L679 HydrophobicContact CD1-CB 4.29Å; Y505-L679 HydrophobicContact CD1-CD1 3.73Å; Y505-L679 HydrophobicContact CD1-CD2 4Å; Y505-L679 HydrophobicContact CD1-CG 4.21Å; Y505-L679 HydrophobicContact CD2-CD1 4.11Å; Y505-L679 HydrophobicContact CE1-CB 3.71Å; Y505-L679 HydrophobicContact CE1-CD1 4.05Å; Y505-L679 HydrophobicContact CE1-CD2 4Å; Y505-L679 HydrophobicContact CE1-CG 4.12Å; Y505-L679 HydrophobicContact CE2-CB 4.33Å; Y505-L679 HydrophobicContact CE2-CD1 4.41Å; Y505-L679 HydrophobicContact CG-CD1 3.75Å; Y505-L679 PolarHBondContact OH-N 3.13Å; Y644-L679 HydrophobicContact CD1-CD1 4.44Å; Y644-L679 HydrophobicContact CD1-CD2 3.48Å; Y644-L679 VanDerWaalsContact CD1-CD2 3.48Å; Y644-L679 HydrophobicContact CD1-CG 3.67Å; Y644-L679 HydrophobicContact CE1-CD1 4.17Å; Y644-L679 HydrophobicContact CE1-CD2 3.74Å; Y644-L679 HydrophobicContact CE1-CG 3.9Å; Y644-L679 HydrophobicContact CG-CD2 4.21Å; D676-L679 HydrophobicContact CB-CB 3.96Å; D676-L679 PolarHBondContact O-N 2.68Å; D676-L679 PolarHBondContact OD1-N 2.92Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 3.2Å; L679-E682 PolarHBondContact O-N 2.84Å; L679-E682 VanDerWaalsContact O-N 3.14Å; L679-V683 HydrophobicContact CD1-CG2 4.15Å; L679-V683 HydrophobicContact CG-CG2 4.37Å; L679-V683 WeakPolarHBondContact O-CG2 3.41Å; L679-V683 PolarHBondContact O-N 2.99Å; L679-T721 HydrophobicContact CD1-CG2 4.27Å
680	I	90.9	Very high	86.8	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-39.3	-179.3	-68.5	170.6	0	0	0	111.3	I662 Y665 L666 C675 D676 E682 V683 L684	I662-I680 HydrophobicContact CD1-CG1 4.33Å; I662-I680 HydrophobicContact CG1-CD1 3.88Å; I662-I680 HydrophobicContact CG1-CG1 4.03Å; I662-I680 HydrophobicContact CG2-CG2 3.93Å; Y665-I680 HydrophobicContact CD1-CD1 4.02Å; Y665-I680 HydrophobicContact CE1-CD1 4.25Å; L666-I680 HydrophobicContact CD1-CG2 4.15Å; L666-I680 HydrophobicContact CD2-CG2 4.21Å; L666-I680 HydrophobicContact CG-CG2 4.45Å; C675-I680 HydrophobicContact CB-CD1 3.59Å; D676-I680 WeakPolarHBondContact O-CG1 3.25Å; D676-I680 PolarHBondContact O-N 3.01Å; I680-E682 VanDerWaalsContact C-N 3.33Å; I680-E682 PolarHBondContact O-N 3.14Å; I680-V683 PolarHBondContact O-N 3.24Å; I680-L684 HydrophobicContact CG2-CD1 4.07Å; I680-L684 HydrophobicContact CG2-CG 4.41Å; I680-L684 VanDerWaalsContact O-CG 3.26Å; I680-L684 WeakPolarHBondContact O-CG 3.47Å; I680-L684 PolarHBondContact O-N 3.39Å
681	Q	89.6	Confident	87.7	Confident	56 Å²	56	38.3 Å²	38.3	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-39.4	176.6	-79	-179.2	-30.4	0	0	112.8	K677 E678 L679 F685	K677-Q681 WeakPolarHBondContact O-CB 3.01Å; K677-Q681 VanDerWaalsContact O-CG 3.23Å; K677-Q681 WeakPolarHBondContact O-CG 3.14Å; K677-Q681 PolarHBondContact O-N 3.02Å; E678-Q681 PolarHBondContact O-N 3.25Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 3.2Å; Q681-F685 PolarHBondContact O-N 3.03Å
682	E	89.4	Confident	88.9	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-74.3	-36	175.7	-60.9	-48.6	129.3	0	0	112.7	F617 R619 G620 E678 L679 I680 L684 F685 D686 T721	F617-E682 HydrophobicContact CE2-CG 4.33Å; F617-E682 HydrophobicContact CZ-CG 3.79Å; R619-E682 WeakPolarHBondContact CA-OE1 3.48Å; R619-E682 WeakPolarHBondContact CG-OE1 3.36Å; G620-E682 PolarHBondContact N-OE1 3.22Å; G620-E682 VanDerWaalsContact N-OE1 3.16Å; G620-E682 PolarHBondContact N-OE2 3.48Å; E678-E682 PolarHBondContact O-N 2.73Å; L679-E682 PolarHBondContact O-N 2.84Å; L679-E682 VanDerWaalsContact O-N 3.14Å; I680-E682 VanDerWaalsContact C-N 3.33Å; I680-E682 PolarHBondContact O-N 3.14Å; E682-L684 VanDerWaalsContact C-N 3.31Å; E682-L684 PolarHBondContact O-N 3.45Å; E682-F685 WeakPolarHBondContact O-CB 3.45Å; E682-F685 PolarHBondContact O-N 2.92Å; E682-F685 VanDerWaalsContact O-N 3.15Å; E682-D686 WeakPolarHBondContact O-CB 3.41Å; E682-D686 PolarHBondContact O-N 3.41Å; E682-T721 HydrophobicContact CB-CG2 3.46Å; E682-T721 VanDerWaalsContact CB-CG2 3.46Å
683	V	92.3	Very high	89.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-44.7	174	171	0	0	0	0	110.7	L631 L638 Y644 L679 I680 F685 D686 A687 T721 L723	L631-V683 HydrophobicContact CD1-CG1 4Å; L631-V683 HydrophobicContact CD2-CG1 4.47Å; L638-V683 HydrophobicContact CD2-CG1 3.8Å; Y644-V683 HydrophobicContact CD1-CG2 3.98Å; Y644-V683 HydrophobicContact CE1-CG2 3.58Å; L679-V683 HydrophobicContact CD1-CG2 4.15Å; L679-V683 HydrophobicContact CG-CG2 4.37Å; L679-V683 WeakPolarHBondContact O-CG2 3.41Å; L679-V683 PolarHBondContact O-N 2.99Å; I680-V683 PolarHBondContact O-N 3.24Å; V683-F685 VanDerWaalsContact C-N 3.34Å; V683-F685 PolarHBondContact O-N 3.38Å; V683-D686 PolarHBondContact O-N 2.9Å; V683-A687 WeakPolarHBondContact O-CB 3.31Å; V683-A687 PolarHBondContact O-N 2.9Å; V683-T721 HydrophobicContact CG2-CG2 4.38Å; V683-L723 HydrophobicContact CG1-CD1 4.4Å
684	L	92.2	Very high	90.2	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-39.1	176.2	-65.4	169.4	0	0	0	111.6	V622 L631 L666 I680 E682 V688	V622-L684 HydrophobicContact CG2-CB 3.83Å; L631-L684 HydrophobicContact CD2-CD2 4.35Å; L666-L684 HydrophobicContact CD1-CD1 4.05Å; L666-L684 HydrophobicContact CD1-CD2 4.39Å; I680-L684 HydrophobicContact CG2-CD1 4.07Å; I680-L684 HydrophobicContact CG2-CG 4.41Å; I680-L684 VanDerWaalsContact O-CG 3.26Å; I680-L684 WeakPolarHBondContact O-CG 3.47Å; I680-L684 PolarHBondContact O-N 3.39Å; E682-L684 VanDerWaalsContact C-N 3.31Å; E682-L684 PolarHBondContact O-N 3.45Å; L684-V688 WeakPolarHBondContact O-CG2 3.39Å; L684-V688 PolarHBondContact O-N 3.39Å
685	F	91.4	Very high	90.6	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-48.6	175.1	176.3	-96.3	0	0	0	111.8	Y71 F74 V78 F618 V622 Q681 E682 V683 A687 V688 V689	Y71-F685 HydrophobicContact CE1-CE1 4.23Å; F74-F685 HydrophobicContact CB-CE2 4.25Å; F74-F685 HydrophobicContact CB-CZ 4.05Å; F74-F685 HydrophobicContact CD1-CE2 4.17Å; F74-F685 HydrophobicContact CG-CE2 4.26Å; F74-F685 HydrophobicContact CG-CZ 4.39Å; V78-F685 HydrophobicContact CG2-CE1 4.24Å; V78-F685 HydrophobicContact CG2-CE2 3.97Å; V78-F685 HydrophobicContact CG2-CZ 3.45Å; V78-F685 VanDerWaalsContact CG2-CZ 3.45Å; F618-F685 HydrophobicContact CD2-CE1 4.4Å; F618-F685 HydrophobicContact CE2-CD1 4.18Å; F618-F685 AromaticContact CE2-CE1 3.83Å; F618-F685 HydrophobicContact CE2-CE1 3.83Å; V622-F685 HydrophobicContact CG1-CD2 4.02Å; V622-F685 HydrophobicContact CG2-CB 4.42Å; Q681-F685 PolarHBondContact O-N 3.03Å; E682-F685 WeakPolarHBondContact O-CB 3.45Å; E682-F685 PolarHBondContact O-N 2.92Å; E682-F685 VanDerWaalsContact O-N 3.15Å; V683-F685 VanDerWaalsContact C-N 3.34Å; V683-F685 PolarHBondContact O-N 3.38Å; F685-A687 VanDerWaalsContact C-N 3.31Å; F685-A687 PolarHBondContact O-N 2.98Å; F685-V688 PolarHBondContact O-N 3.37Å; F685-V689 HydrophobicContact CD1-CG2 4.19Å; F685-V689 HydrophobicContact CD2-CG2 4.29Å; F685-V689 HydrophobicContact CE1-CG2 3.77Å; F685-V689 HydrophobicContact CE2-CG2 3.89Å; F685-V689 HydrophobicContact CG-CG2 4.43Å; F685-V689 HydrophobicContact CZ-CG2 3.61Å; F685-V689 WeakPolarHBondContact O-CG2 3.19Å; F685-V689 PolarHBondContact O-N 2.92Å
686	D	91.9	Very high	90.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-38.3	177.5	-87.2	-23.1	0	0	0	111.6	Y71 E682 V683 T690 T719 T721	Y71-D686 PolarHBondContact OH-OD1 2.94Å; E682-D686 WeakPolarHBondContact O-CB 3.41Å; E682-D686 PolarHBondContact O-N 3.41Å; V683-D686 PolarHBondContact O-N 2.9Å; D686-T690 VanDerWaalsContact O-CB 3.31Å; D686-T690 WeakPolarHBondContact O-CB 3.31Å; D686-T690 WeakPolarHBondContact O-CG2 3.14Å; D686-T690 PolarHBondContact O-N 3.1Å; D686-T690 PolarHBondContact O-OG1 2.86Å; D686-T719 HydrophobicContact CB-CG2 4.03Å; D686-T719 WeakPolarHBondContact OD2-CB 3.2Å; D686-T721 WeakPolarHBondContact OD2-CG2 3.27Å; D686-T721 PolarHBondContact OD2-OG1 3.47Å
687	A	92.6	Very high	90.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.4	-50.1	175.4	0	0	0	0	0	111.9	D630 L631 V683 F685 T690 A691 L723 R725	D630-A687 HydrophobicContact CB-CB 4.34Å; L631-A687 HydrophobicContact CB-CB 4.45Å; V683-A687 WeakPolarHBondContact O-CB 3.31Å; V683-A687 PolarHBondContact O-N 2.9Å; F685-A687 VanDerWaalsContact C-N 3.31Å; F685-A687 PolarHBondContact O-N 2.98Å; A687-T690 PolarHBondContact O-N 2.87Å; A687-T690 PolarHBondContact O-OG1 3.43Å; A687-A691 WeakPolarHBondContact O-CB 3.25Å; A687-A691 PolarHBondContact O-N 2.98Å; A687-L723 HydrophobicContact CB-CD1 3.73Å; A687-R725 PolarHBondContact O-NH2 3.15Å; A687-R725 VanDerWaalsContact O-NH2 3.13Å
688	V	92.3	Very high	90.8	Very high	26 Å²	26	23 Å²	23	16%	0.158	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-41	180	173.6	0	0	0	0	112.4	V622 E626 D630 L684 F685 T690	V622-V688 HydrophobicContact CG1-CB 4.21Å; V622-V688 HydrophobicContact CG1-CG1 4.28Å; V622-V688 HydrophobicContact CG1-CG2 4.25Å; E626-V688 HydrophobicContact CB-CG2 4.31Å; D630-V688 HydrophobicContact CB-CG2 4.49Å; L684-V688 WeakPolarHBondContact O-CG2 3.39Å; L684-V688 PolarHBondContact O-N 3.39Å; F685-V688 PolarHBondContact O-N 3.37Å; V688-T690 VanDerWaalsContact C-N 3.3Å; V688-T690 PolarHBondContact O-N 3.47Å
689	V	91.6	Very high	90.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-69.2	-31.5	179.6	176.5	0	0	0	0	111.7	K70 Y71 F74 F685	K70-V689 HydrophobicContact CB-CG1 4.26Å; Y71-V689 HydrophobicContact CD1-CG1 3.76Å; Y71-V689 HydrophobicContact CD2-CG1 3.99Å; Y71-V689 HydrophobicContact CE1-CB 4.33Å; Y71-V689 HydrophobicContact CE1-CG1 3.67Å; Y71-V689 HydrophobicContact CE2-CG1 3.93Å; Y71-V689 HydrophobicContact CG-CG1 3.91Å; F74-V689 HydrophobicContact CD2-CG2 3.76Å; F74-V689 HydrophobicContact CE2-CG2 3.92Å; F74-V689 HydrophobicContact CG-CG2 4.25Å; F685-V689 HydrophobicContact CD1-CG2 4.19Å; F685-V689 HydrophobicContact CD2-CG2 4.29Å; F685-V689 HydrophobicContact CE1-CG2 3.77Å; F685-V689 HydrophobicContact CE2-CG2 3.89Å; F685-V689 HydrophobicContact CG-CG2 4.43Å; F685-V689 HydrophobicContact CZ-CG2 3.61Å; F685-V689 WeakPolarHBondContact O-CG2 3.19Å; F685-V689 PolarHBondContact O-N 2.92Å
690	T	92.9	Very high	90.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-88.4	-23.3	-179.4	59.5	0	0	0	0	114.1	L67 D686 A687 V688 P692 L693 L717 T719 R725	L67-T690 HydrophobicContact CD1-CG2 4.17Å; D686-T690 VanDerWaalsContact O-CB 3.31Å; D686-T690 WeakPolarHBondContact O-CB 3.31Å; D686-T690 WeakPolarHBondContact O-CG2 3.14Å; D686-T690 PolarHBondContact O-N 3.1Å; D686-T690 PolarHBondContact O-OG1 2.86Å; A687-T690 PolarHBondContact O-N 2.87Å; A687-T690 PolarHBondContact O-OG1 3.43Å; V688-T690 VanDerWaalsContact C-N 3.3Å; V688-T690 PolarHBondContact O-N 3.47Å; T690-P692 VanDerWaalsContact C-N 3.32Å; T690-P692 VanDerWaalsContact O-N 3.13Å; T690-L693 WeakPolarHBondContact O-CB 3.47Å; T690-L693 PolarHBondContact O-N 2.78Å; T690-L717 HydrophobicContact CG2-CD1 3.84Å; T690-L717 HydrophobicContact CG2-CD2 3.87Å; T690-T719 HydrophobicContact CG2-CG2 4.1Å; T690-R725 PolarHBondContact OG1-NE 3.48Å
691	A	92.1	Very high	90.2	Very high	18 Å²	18	24.3 Å²	24.3	15%	0.149	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-39.5	-178.8	0	0	0	0	0	115.4	D630 A687 L693 E694	D630-A691 HydrophobicContact CB-CB 4.2Å; A687-A691 WeakPolarHBondContact O-CB 3.25Å; A687-A691 PolarHBondContact O-N 2.98Å; A691-L693 PolarHBondContact O-N 2.79Å; A691-E694 WeakPolarHBondContact O-CB 3.41Å; A691-E694 PolarHBondContact O-N 2.96Å; A691-E694 VanDerWaalsContact O-N 3.11Å
692	P	92.5	Very high	89.8	Confident	46 Å²	46	27.8 Å²	27.8	30%	0.299	16%	0.163	S	C	.	.	H	α-helix	trans	-62.3	-12.6	178.1	-25.5	36.9	0	0	0	115.9	K70 T690 Y696	K70-P692 HydrophobicContact CD-CG 4.06Å; T690-P692 VanDerWaalsContact C-N 3.32Å; T690-P692 VanDerWaalsContact O-N 3.13Å; P692-Y696 PolarHBondContact O-N 3.1Å
693	L	91.3	Very high	89.2	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-73	-31.5	174.3	-75.5	166.6	0	0	0	113	L66 L67 T690 A691 Y696 W697 L717	L66-L693 HydrophobicContact CD2-CD2 4.32Å; L67-L693 HydrophobicContact CB-CD1 4.29Å; L67-L693 HydrophobicContact CD1-CD1 3.95Å; L67-L693 HydrophobicContact CD2-CD1 4.07Å; L67-L693 HydrophobicContact CG-CD1 4.34Å; T690-L693 WeakPolarHBondContact O-CB 3.47Å; T690-L693 PolarHBondContact O-N 2.78Å; A691-L693 PolarHBondContact O-N 2.79Å; L693-Y696 WeakPolarHBondContact O-CB 3.5Å; L693-Y696 PolarHBondContact O-N 2.84Å; L693-W697 HydrophobicContact CB-CD2 4.34Å; L693-W697 HydrophobicContact CB-CE3 4.25Å; L693-W697 HydrophobicContact CB-CH2 4.31Å; L693-W697 HydrophobicContact CB-CZ2 4.35Å; L693-W697 HydrophobicContact CB-CZ3 4.25Å; L693-W697 HydrophobicContact CD1-CH2 4.39Å; L693-W697 HydrophobicContact CD1-CZ2 4.38Å; L693-W697 HydrophobicContact CD2-CZ2 4.42Å; L693-W697 WeakPolarHBondContact O-CB 3.36Å; L693-W697 PolarHBondContact O-N 2.89Å; L693-L717 HydrophobicContact CD1-CD1 3.33Å
694	E	88.1	Confident	87.6	Confident	60 Å²	60	39.4 Å²	39.4	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-55.4	-179.7	178.5	-99.4	138.2	0	0	110	H633 A691 Y696 W697 T698	H633-E694 IonicContact CE1-OE1 2.71Å; H633-E694 PolarHBondContact CE1-OE1 3.28Å; H633-E694 IonicContact CE1-OE2 2.74Å; H633-E694 IonicContact NE2-OE2 3.21Å; A691-E694 WeakPolarHBondContact O-CB 3.41Å; A691-E694 PolarHBondContact O-N 2.96Å; A691-E694 VanDerWaalsContact O-N 3.11Å; E694-Y696 VanDerWaalsContact C-N 3.26Å; E694-Y696 PolarHBondContact O-N 3.44Å; E694-W697 PolarHBondContact O-N 2.82Å; E694-T698 WeakPolarHBondContact O-CB 3.45Å; E694-T698 PolarHBondContact O-N 2.82Å; E694-T698 PolarHBondContact O-OG1 2.92Å
695	A	89	Confident	85.8	Confident	63 Å²	63	44.9 Å²	44.9	52%	0.521	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-35	172.5	0	0	0	0	0	113.8	S699	A695-S699 WeakPolarHBondContact O-CB 2.8Å; A695-S699 PolarHBondContact O-N 2.95Å
696	Y	91.3	Very high	84	Confident	68 Å²	68	51.1 Å²	51.1	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-67.3	-49.7	177	177.7	-104.7	0	0	0	111.9	K60 L66 P692 L693 E694 S699 L700	K60-Y696 WeakPolarHBondContact O-CE1 3.44Å; K60-Y696 PolarHBondContact O-OH 2.02Å; L66-Y696 HydrophobicContact CD2-CD1 4.31Å; L66-Y696 HydrophobicContact CD2-CD2 3.99Å; L66-Y696 HydrophobicContact CD2-CG 3.73Å; P692-Y696 PolarHBondContact O-N 3.1Å; L693-Y696 WeakPolarHBondContact O-CB 3.5Å; L693-Y696 PolarHBondContact O-N 2.84Å; E694-Y696 VanDerWaalsContact C-N 3.26Å; E694-Y696 PolarHBondContact O-N 3.44Å; Y696-S699 PolarHBondContact O-N 3.38Å; Y696-S699 PolarHBondContact O-OG 3.34Å; Y696-L700 HydrophobicContact CD1-CD1 4.18Å; Y696-L700 HydrophobicContact CE1-CD1 3.62Å; Y696-L700 PolarHBondContact O-N 3.21Å
697	W	90.6	Very high	82.2	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-43.5	177.4	-68.5	-34.2	0	0	0	111.8	Y61 L693 E694 S699 L700 V701 A715 L717 R725 N727 F729 V806	Y61-W697 PolarHBondContact O-NE1 3.34Å; Y61-W697 VanDerWaalsContact O-NE1 3.11Å; L693-W697 HydrophobicContact CB-CD2 4.34Å; L693-W697 HydrophobicContact CB-CE3 4.25Å; L693-W697 HydrophobicContact CB-CH2 4.31Å; L693-W697 HydrophobicContact CB-CZ2 4.35Å; L693-W697 HydrophobicContact CB-CZ3 4.25Å; L693-W697 HydrophobicContact CD1-CH2 4.39Å; L693-W697 HydrophobicContact CD1-CZ2 4.38Å; L693-W697 HydrophobicContact CD2-CZ2 4.42Å; L693-W697 WeakPolarHBondContact O-CB 3.36Å; L693-W697 PolarHBondContact O-N 2.89Å; E694-W697 PolarHBondContact O-N 2.82Å; W697-S699 VanDerWaalsContact C-N 3.26Å; W697-S699 PolarHBondContact O-N 2.93Å; W697-L700 WeakPolarHBondContact O-CB 3.48Å; W697-L700 PolarHBondContact O-N 2.7Å; W697-V701 WeakPolarHBondContact O-CG2 3.46Å; W697-V701 PolarHBondContact O-N 2.95Å; W697-A715 HydrophobicContact CD2-CB 4.27Å; W697-A715 HydrophobicContact CH2-CB 4.49Å; W697-A715 HydrophobicContact CZ2-CB 3.78Å; W697-L717 HydrophobicContact CH2-CB 4.08Å; W697-R725 HydrophobicContact CH2-CB 4.37Å; W697-R725 HydrophobicContact CZ3-CB 4.04Å; W697-N727 HydrophobicContact CB-CB 4.08Å; W697-N727 HydrophobicContact CD2-CB 3.93Å; W697-N727 HydrophobicContact CE3-CB 3.52Å; W697-N727 HydrophobicContact CG-CB 4.22Å; W697-N727 HydrophobicContact CZ3-CB 4.16Å; W697-F729 HydrophobicContact CB-CE1 4.45Å; W697-F729 AromaticContact CD1-CZ 3.93Å; W697-F729 HydrophobicContact CG-CZ 4.42Å; W697-V806 HydrophobicContact CZ2-CG2 4.46Å
698	T	87.8	Confident	80.3	Confident	54 Å²	54	57.4 Å²	57.4	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-57.5	-39.5	174.1	-59.8	0	0	0	0	111.5	E694 L700 V701 L702	E694-T698 WeakPolarHBondContact O-CB 3.45Å; E694-T698 PolarHBondContact O-N 2.82Å; E694-T698 PolarHBondContact O-OG1 2.92Å; T698-L700 VanDerWaalsContact C-N 3.34Å; T698-L700 PolarHBondContact O-N 2.97Å; T698-V701 PolarHBondContact O-N 2.84Å; T698-L702 HydrophobicContact CG2-CD1 4.1Å; T698-L702 WeakPolarHBondContact O-CG 3.42Å; T698-L702 PolarHBondContact O-N 2.74Å
699	S	88	Confident	78.9	Confident	49 Å²	49	57.9 Å²	57.9	34%	0.343	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-36.2	175.5	82.5	0	0	0	0	113.1	A695 Y696 W697 L702 N703	A695-S699 WeakPolarHBondContact O-CB 2.8Å; A695-S699 PolarHBondContact O-N 2.95Å; Y696-S699 PolarHBondContact O-N 3.38Å; Y696-S699 PolarHBondContact O-OG 3.34Å; W697-S699 VanDerWaalsContact C-N 3.26Å; W697-S699 PolarHBondContact O-N 2.93Å; S699-L702 PolarHBondContact O-N 3.11Å; S699-N703 WeakPolarHBondContact O-CB 3.37Å; S699-N703 PolarHBondContact O-N 3.21Å; S699-N703 VanDerWaalsContact O-N 3.08Å; S699-N703 PolarHBondContact O-ND2 2.96Å
700	L	85.2	Confident	77.7	Confident	14 Å²	14	66.7 Å²	66.7	7%	0.073	37%	0.366	C	S	.	.	H	α-helix	trans	-70.4	-35.5	175.6	-69.6	173.3	0	0	0	112.3	Y61 Y696 W697 T698 N707 F729	Y61-L700 HydrophobicContact CD1-CD1 4.46Å; Y696-L700 HydrophobicContact CD1-CD1 4.18Å; Y696-L700 HydrophobicContact CE1-CD1 3.62Å; Y696-L700 PolarHBondContact O-N 3.21Å; W697-L700 WeakPolarHBondContact O-CB 3.48Å; W697-L700 PolarHBondContact O-N 2.7Å; T698-L700 VanDerWaalsContact C-N 3.34Å; T698-L700 PolarHBondContact O-N 2.97Å; L700-N707 PolarHBondContact O-ND2 2.89Å; L700-F729 HydrophobicContact CB-CE1 4.17Å; L700-F729 HydrophobicContact CD1-CE1 4.47Å
701	V	82.8	Confident	77	Confident	40 Å²	40	66.7 Å²	66.7	24%	0.242	37%	0.367	C	S	.	.	H	α-helix	trans	-66.1	-40.6	174.5	175.5	0	0	0	0	111.3	W697 T698 K704 F729	W697-V701 WeakPolarHBondContact O-CG2 3.46Å; W697-V701 PolarHBondContact O-N 2.95Å; T698-V701 PolarHBondContact O-N 2.84Å; V701-K704 VanDerWaalsContact O-CG 3.29Å; V701-K704 WeakPolarHBondContact O-CG 3.49Å; V701-F729 HydrophobicContact CG2-CD1 3.69Å; V701-F729 HydrophobicContact CG2-CE1 4.28Å
702	L	80.3	Confident	76.8	Confident	129 Å²	129	66.1 Å²	66.1	68%	0.675	36%	0.361	S	S	*	.	H	α-helix	trans	-73.4	-33.1	-179.2	-68.7	172.9	0	0	0	113.1	T698 S699 K704	T698-L702 HydrophobicContact CG2-CD1 4.1Å; T698-L702 WeakPolarHBondContact O-CG 3.42Å; T698-L702 PolarHBondContact O-N 2.74Å; S699-L702 PolarHBondContact O-N 3.11Å; L702-K704 PolarHBondContact O-N 3.46Å
703	N	76.8	Confident	76.6	Confident	82 Å²	82	64 Å²	64	44%	0.439	35%	0.347	S	S	.	.			trans	-75.8	51.2	178.8	-76	-19.3	0	0	0	113.8	S699 S705 E706	S699-N703 WeakPolarHBondContact O-CB 3.37Å; S699-N703 PolarHBondContact O-N 3.21Å; S699-N703 VanDerWaalsContact O-N 3.08Å; S699-N703 PolarHBondContact O-ND2 2.96Å; N703-S705 PolarHBondContact O-N 3.49Å; N703-E706 PolarHBondContact O-N 3.16Å
704	K	58.7	Low	76.5	Confident	166 Å²	166	64.2 Å²	64.2	72%	0.722	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	-177.8	-66.2	-169	175.9	-176.8	0	114.7	V701 L702	V701-K704 VanDerWaalsContact O-CG 3.29Å; V701-K704 WeakPolarHBondContact O-CG 3.49Å; L702-K704 PolarHBondContact O-N 3.46Å
705	S	55.8	Low	76.6	Confident	121 Å²	121	61.3 Å²	61.3	85%	0.846	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.7	176.6	48.6	0	0	0	0	114.6	N703	N703-S705 PolarHBondContact O-N 3.49Å
706	E	52.7	Low	76.8	Confident	133 Å²	133	58.4 Å²	58.4	62%	0.621	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.4	173.6	-71.6	-167.2	155.6	0	0	113.3	N703 S708	N703-E706 PolarHBondContact O-N 3.16Å; E706-S708 PolarHBondContact O-N 2.83Å
707	N	54.6	Low	76.9	Confident	35 Å²	35	55.2 Å²	55.2	19%	0.187	30%	0.298	C	S	.	.			trans	-80.8	61.6	177	-75.9	-32.9	0	0	0	111.9	Y61 L700 D709	Y61-N707 PolarHBondContact OH-OD1 2.73Å; L700-N707 PolarHBondContact O-ND2 2.89Å; N707-D709 PolarHBondContact O-N 3.43Å
708	S	52.8	Low	77	Confident	98 Å²	98	55.2 Å²	55.2	69%	0.685	30%	0.298	S	S	*	.			trans	-64	-29.4	167.4	50.3	0	0	0	0	112.1	E706 K710	E706-S708 PolarHBondContact O-N 2.83Å; S708-K710 PolarHBondContact O-N 3.44Å
709	D	61.8	Low	77.1	Confident	35 Å²	35	52.6 Å²	52.6	19%	0.187	28%	0.282	C	S	.	.			trans	-88.5	70.9	178.8	-68.6	-54.6	0	0	0	112.2	N707 G711 F814 K818	N707-D709 PolarHBondContact O-N 3.43Å; D709-G711 PolarHBondContact O-N 3.49Å; D709-F814 HydrophobicContact CB-CE2 3.92Å; D709-F814 HydrophobicContact CB-CZ 3.78Å; D709-F814 WeakPolarHBondContact OD1-CE2 3.1Å; D709-F814 WeakPolarHBondContact OD1-CZ 3.45Å; D709-K818 VanDerWaalsContact OD1-CE 3.28Å; D709-K818 WeakPolarHBondContact OD1-CE 3.38Å; D709-K818 IonicContact OD1-NZ 3.13Å; D709-K818 PolarHBondContact OD1-NZ 3.07Å
710	K	67.6	Low	77.1	Confident	186 Å²	186	50.6 Å²	50.6	81%	0.809	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	31.2	173.5	-62.9	-169.9	175.3	-170.5	0	114.9	S708	S708-K710 PolarHBondContact O-N 3.44Å
711	G	78.5	Confident	77.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-23.2	-174	0	0	0	0	0	115.4	D709 M810 K811 F814	D709-G711 PolarHBondContact O-N 3.49Å; G711-M810 CarbonylContact O-C 3.59Å; G711-M810 WeakPolarHBondContact O-CA 3.45Å; G711-M810 WeakPolarHBondContact O-CB 3.48Å; G711-K811 PolarHBondContact O-N 3.43Å; G711-F814 VanDerWaalsContact CA-CD2 3.49Å; G711-F814 VanDerWaalsContact CA-CG 3.42Å
712	V	87.5	Confident	77.6	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.6	-175.7	-173.2	0	0	0	0	109.6	I57 Y61 F729 I808 M810	I57-V712 HydrophobicContact CG2-CG2 4.07Å; Y61-V712 HydrophobicContact CD1-CB 4.33Å; Y61-V712 HydrophobicContact CD1-CG1 4.37Å; Y61-V712 HydrophobicContact CD2-CB 4.39Å; Y61-V712 HydrophobicContact CD2-CG2 3.81Å; Y61-V712 HydrophobicContact CE2-CG2 4.24Å; Y61-V712 HydrophobicContact CG-CB 4.16Å; Y61-V712 HydrophobicContact CG-CG1 4.12Å; Y61-V712 HydrophobicContact CG-CG2 4.03Å; V712-F729 HydrophobicContact CG1-CD2 3.93Å; V712-F729 HydrophobicContact CG1-CE2 4.05Å; V712-I808 HydrophobicContact CG1-CB 3.93Å; V712-I808 HydrophobicContact CG1-CD1 3.97Å; V712-I808 HydrophobicContact CG1-CG1 4.49Å; V712-I808 HydrophobicContact CG1-CG2 4.17Å; V712-I808 HydrophobicContact CG2-CD1 4.01Å; V712-M810 HydrophobicContact CG2-CB 4.42Å
713	E	86.9	Confident	78.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-46	-173.6	-64.3	178.9	139.4	0	0	112.4	F729 V730 L735 T736 Q809 K811	E713-F729 PolarHBondContact O-N 3.48Å; E713-V730 HydrophobicContact CG-CG2 4.45Å; E713-L735 HydrophobicContact CB-CD2 3.94Å; E713-T736 WeakPolarHBondContact OE1-CB 3.16Å; E713-T736 WeakPolarHBondContact OE1-CG2 3.4Å; E713-T736 PolarHBondContact OE1-N 2.99Å; E713-T736 PolarHBondContact OE1-OG1 3.35Å; E713-T736 PolarHBondContact OE2-OG1 2.63Å; E713-Q809 PolarHBondContact N-O 2.77Å; E713-Q809 PolarHBondContact OE2-NE2 2.97Å; E713-K811 HydrophobicContact CG-CG 4.22Å; E713-K811 WeakPolarHBondContact OE1-CE 3.16Å; E713-K811 IonicContact OE1-NZ 3.34Å
714	I	88.9	Confident	78.8	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.4	-171.4	-49.9	-178.6	0	0	0	108.9	Y716 I726 L728 L735 F740 I808 Q809	I714-Y716 HydrophobicContact CG2-CD1 4.45Å; I714-I726 HydrophobicContact CG2-CG2 3.82Å; I714-L728 HydrophobicContact CB-CD2 4.44Å; I714-L728 HydrophobicContact CD1-CD2 4.09Å; I714-L728 HydrophobicContact CG1-CD2 3.77Å; I714-L728 HydrophobicContact CG2-CD2 4.17Å; I714-L735 HydrophobicContact CD1-CD2 4.16Å; I714-L735 HydrophobicContact CG1-CD2 3.97Å; I714-F740 HydrophobicContact CD1-CD1 4.2Å; I714-I808 CarbonylContact O-C 3.59Å; I714-I808 WeakPolarHBondContact O-CA 2.93Å; I714-I808 WeakPolarHBondContact O-CB 2.98Å; I714-Q809 HydrophobicContact CB-CB 4.02Å; I714-Q809 HydrophobicContact CG1-CB 4.35Å; I714-Q809 PolarHBondContact O-N 3.05Å
715	A	91.4	Very high	80.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.9	157.2	0	0	0	0	0	109.5	W697 N727 F729 I808	W697-A715 HydrophobicContact CD2-CB 4.27Å; W697-A715 HydrophobicContact CH2-CB 4.49Å; W697-A715 HydrophobicContact CZ2-CB 3.78Å; A715-N727 PolarHBondContact N-O 3.35Å; A715-N727 PolarHBondContact O-N 2.85Å; A715-F729 HydrophobicContact CB-CE2 3.58Å; A715-F729 HydrophobicContact CB-CZ 3.81Å; A715-I808 HydrophobicContact CB-CG2 4.17Å
716	Y	92.3	Very high	82	Confident	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.6	179.2	53.1	-94	0	0	0	111.1	I714 R725 F740 L741 W758 L787 S789 V806 G807 I808	I714-Y716 HydrophobicContact CG2-CD1 4.45Å; Y716-R725 CarbonylContact C-O 3.52Å; Y716-R725 WeakPolarHBondContact CA-O 3.5Å; Y716-F740 AromaticContact CD1-CE1 3.59Å; Y716-F740 HydrophobicContact CD1-CE1 3.59Å; Y716-F740 HydrophobicContact CD1-CZ 4.06Å; Y716-F740 AromaticContact CE1-CE1 3.56Å; Y716-F740 HydrophobicContact CE1-CE1 3.56Å; Y716-F740 AromaticContact CE1-CZ 3.72Å; Y716-F740 HydrophobicContact CE1-CZ 3.72Å; Y716-F740 HydrophobicContact CG-CE1 4.37Å; Y716-L741 HydrophobicContact CD1-CD1 4.4Å; Y716-L741 HydrophobicContact CG-CD1 4.18Å; Y716-W758 HydrophobicContact CD2-CD2 4.1Å; Y716-W758 HydrophobicContact CD2-CE3 4Å; Y716-W758 AromaticContact CD2-CH2 3.95Å; Y716-W758 HydrophobicContact CD2-CH2 3.95Å; Y716-W758 HydrophobicContact CD2-CZ2 4.04Å; Y716-W758 AromaticContact CD2-CZ3 3.92Å; Y716-W758 HydrophobicContact CD2-CZ3 3.92Å; Y716-W758 AromaticContact CE2-CD2 3.71Å; Y716-W758 HydrophobicContact CE2-CD2 3.71Å; Y716-W758 AromaticContact CE2-CE3 3.63Å; Y716-W758 HydrophobicContact CE2-CE3 3.63Å; Y716-W758 HydrophobicContact CE2-CG 4.21Å; Y716-W758 HydrophobicContact CE2-CH2 4.42Å; Y716-W758 HydrophobicContact CE2-CZ2 4.5Å; Y716-W758 AromaticContact CE2-CZ3 3.99Å; Y716-W758 HydrophobicContact CE2-CZ3 3.99Å; Y716-L787 HydrophobicContact CE1-CD2 4.38Å; Y716-S789 WeakPolarHBondContact CE2-OG 3.35Å; Y716-S789 PolarHBondContact OH-OG 3.39Å; Y716-S789 VanDerWaalsContact OH-OG 3.06Å; Y716-V806 WeakPolarHBondContact O-CA 3.38Å; Y716-V806 WeakPolarHBondContact O-CG2 3.48Å; Y716-G807 PolarHBondContact N-O 3.13Å; Y716-G807 PolarHBondContact O-N 2.84Å; Y716-I808 PolarHBondContact OH-O 3.3Å
717	L	93.5	Very high	83.7	Confident	2 Å²	2	24 Å²	24	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.4	176.7	173.7	145.7	0	0	0	109.4	L67 T690 L693 W697 T719 L723 S724 R725 V806	L67-L717 HydrophobicContact CD1-CD1 4.43Å; L67-L717 HydrophobicContact CD2-CD1 3.47Å; L67-L717 VanDerWaalsContact CD2-CD1 3.47Å; T690-L717 HydrophobicContact CG2-CD1 3.84Å; T690-L717 HydrophobicContact CG2-CD2 3.87Å; L693-L717 HydrophobicContact CD1-CD1 3.33Å; W697-L717 HydrophobicContact CH2-CB 4.08Å; L717-T719 HydrophobicContact CD2-CG2 3.71Å; L717-L723 HydrophobicContact CD2-CD2 4.33Å; L717-S724 WeakPolarHBondContact O-CA 3.01Å; L717-S724 WeakPolarHBondContact O-CB 3.48Å; L717-R725 HydrophobicContact CB-CB 4.33Å; L717-R725 HydrophobicContact CD2-CB 4.41Å; L717-R725 PolarHBondContact N-O 3.25Å; L717-R725 PolarHBondContact O-N 3.31Å; L717-V806 HydrophobicContact CB-CG2 4.25Å
718	G	92.7	Very high	85.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.7	170.7	0	0	0	0	0	110.2	Y759 A804 A805	G718-Y759 WeakPolarHBondContact O-CE1 3.17Å; G718-A804 CarbonylContact O-C 3.57Å; G718-A804 WeakPolarHBondContact O-CA 3.4Å; G718-A805 PolarHBondContact N-O 3.36Å; G718-A805 PolarHBondContact O-N 3.45Å
719	T	91.4	Very high	86.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	169.6	179.5	64	0	0	0	0	111.1	D686 T690 L717 T721 L723 F750 A804	D686-T719 HydrophobicContact CB-CG2 4.03Å; D686-T719 WeakPolarHBondContact OD2-CB 3.2Å; T690-T719 HydrophobicContact CG2-CG2 4.1Å; L717-T719 HydrophobicContact CD2-CG2 3.71Å; T719-T721 PolarHBondContact O-N 3.46Å; T719-T721 PolarHBondContact OG1-OG1 2.94Å; T719-L723 HydrophobicContact CG2-CB 4.44Å; T719-L723 HydrophobicContact CG2-CD2 3.98Å; T719-L723 PolarHBondContact N-O 2.79Å; T719-L723 WeakPolarHBondContact OG1-CA 3.47Å; T719-L723 WeakPolarHBondContact OG1-CB 3.45Å; T719-L723 PolarHBondContact OG1-N 3.31Å; T719-L723 VanDerWaalsContact OG1-N 3.16Å; T719-L723 PolarHBondContact OG1-O 3.09Å; T719-F750 WeakPolarHBondContact O-CE1 3.38Å; T719-F750 WeakPolarHBondContact O-CZ 3.45Å; T719-A804 HydrophobicContact CG2-CB 4.41Å
720	R	87.4	Confident	87.6	Confident	7 Å²	7	22.4 Å²	22.4	3%	0.026	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.4	175.7	-176.6	173.4	173.6	162.3	-0.3	113.3	Y505 Y616 G722 F755 A803	Y505-R720 PolarHBondContact O-NE 3.28Å; Y505-R720 PolarHBondContact O-NH2 2.95Å; Y616-R720 PolarHBondContact O-NH1 3.07Å; R720-G722 VanDerWaalsContact C-N 3.34Å; R720-F755 HydrophobicContact CG-CZ 4.47Å; R720-A803 PolarHBondContact N-O 2.73Å; R720-A803 VanDerWaalsContact N-O 3.16Å
721	T	88.8	Confident	88.1	Confident	5 Å²	5	17.5 Å²	17.5	3%	0.031	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.4	-176.1	54.8	0	0	0	0	114.3	W642 Y644 L679 E682 V683 D686 T719 L723	W642-T721 WeakPolarHBondContact CZ3-O 3.32Å; Y644-T721 WeakPolarHBondContact CE1-O 3.47Å; Y644-T721 PolarHBondContact OH-O 3.02Å; L679-T721 HydrophobicContact CD1-CG2 4.27Å; E682-T721 HydrophobicContact CB-CG2 3.46Å; E682-T721 VanDerWaalsContact CB-CG2 3.46Å; V683-T721 HydrophobicContact CG2-CG2 4.38Å; D686-T721 WeakPolarHBondContact OD2-CG2 3.27Å; D686-T721 PolarHBondContact OD2-OG1 3.47Å; T719-T721 PolarHBondContact O-N 3.46Å; T719-T721 PolarHBondContact OG1-OG1 2.94Å; T721-L723 VanDerWaalsContact C-N 3.32Å
722	G	88.9	Confident	88	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	85.8	1.4	-175	0	0	0	0	0	113.8	L638 A639 R720	L638-G722 CarbonylContact C-O 3.59Å; A639-G722 PolarHBondContact N-O 3Å; R720-G722 VanDerWaalsContact C-N 3.34Å
723	L	91.8	Very high	87.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.			trans	-71.4	128.3	168.4	-179.2	154.4	0	0	0	109.7	L631 V636 A637 L638 V683 A687 L717 T719 T721 R725	L631-L723 HydrophobicContact CD1-CD1 4.27Å; V636-L723 HydrophobicContact CG1-CD1 3.84Å; V636-L723 HydrophobicContact CG1-CD2 4.41Å; V636-L723 HydrophobicContact CG1-CG 3.84Å; A637-L723 WeakPolarHBondContact O-CA 3.45Å; L638-L723 HydrophobicContact CD2-CB 3.98Å; L638-L723 HydrophobicContact CD2-CG 4.39Å; V683-L723 HydrophobicContact CG1-CD1 4.4Å; A687-L723 HydrophobicContact CB-CD1 3.73Å; L717-L723 HydrophobicContact CD2-CD2 4.33Å; T719-L723 HydrophobicContact CG2-CB 4.44Å; T719-L723 HydrophobicContact CG2-CD2 3.98Å; T719-L723 PolarHBondContact N-O 2.79Å; T719-L723 WeakPolarHBondContact OG1-CA 3.47Å; T719-L723 WeakPolarHBondContact OG1-CB 3.45Å; T719-L723 PolarHBondContact OG1-N 3.31Å; T719-L723 VanDerWaalsContact OG1-N 3.16Å; T719-L723 PolarHBondContact OG1-O 3.09Å; T721-L723 VanDerWaalsContact C-N 3.32Å; L723-R725 HydrophobicContact CD2-CG 4.26Å
724	S	91.8	Very high	86.7	Confident	22 Å²	22	33.7 Å²	33.7	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	153.5	173	65.5	0	0	0	0	111.3	V636 A637 L717	V636-S724 WeakPolarHBondContact CA-O 3.27Å; A637-S724 PolarHBondContact N-O 3.17Å; A637-S724 PolarHBondContact O-N 3.31Å; L717-S724 WeakPolarHBondContact O-CA 3.01Å; L717-S724 WeakPolarHBondContact O-CB 3.48Å
725	R	91.2	Very high	86	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.3	168.5	-68.8	-179.7	-179.7	-94	-1.8	109.7	D630 D635 V636 A687 T690 W697 Y716 L717 L723	D630-R725 PolarHBondContact O-NH2 3.4Å; D635-R725 VanDerWaalsContact O-CA 3.31Å; D635-R725 WeakPolarHBondContact O-CA 3.2Å; D635-R725 IonicContact OD1-NH1 3.65Å; D635-R725 PolarHBondContact OD1-NH1 3.01Å; D635-R725 VanDerWaalsContact OD2-CD 3.31Å; D635-R725 WeakPolarHBondContact OD2-CD 3.27Å; D635-R725 WeakPolarHBondContact OD2-CG 3.44Å; D635-R725 IonicContact OD2-CZ 3.68Å; D635-R725 IonicContact OD2-NE 3.72Å; D635-R725 IonicContact OD2-NH1 3.97Å; D635-R725 PolarHBondContact OD2-NH1 3.38Å; V636-R725 HydrophobicContact CG2-CG 4.08Å; V636-R725 VanDerWaalsContact CG2-NH1 3.32Å; A687-R725 PolarHBondContact O-NH2 3.15Å; A687-R725 VanDerWaalsContact O-NH2 3.13Å; T690-R725 PolarHBondContact OG1-NE 3.48Å; W697-R725 HydrophobicContact CH2-CB 4.37Å; W697-R725 HydrophobicContact CZ3-CB 4.04Å; Y716-R725 CarbonylContact C-O 3.52Å; Y716-R725 WeakPolarHBondContact CA-O 3.5Å; L717-R725 HydrophobicContact CB-CB 4.33Å; L717-R725 HydrophobicContact CD2-CB 4.41Å; L717-R725 PolarHBondContact N-O 3.25Å; L717-R725 PolarHBondContact O-N 3.31Å; L723-R725 HydrophobicContact CD2-CG 4.26Å
726	I	88.7	Confident	85	Confident	67 Å²	67	37.2 Å²	37.2	34%	0.344	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.4	-179.8	-56.3	174.4	0	0	0	109.2	D635 I714 L741	D635-I726 PolarHBondContact O-N 2.96Å; I714-I726 HydrophobicContact CG2-CG2 3.82Å; I726-L741 HydrophobicContact CD1-CB 4.1Å; I726-L741 HydrophobicContact CD1-CD1 3.69Å; I726-L741 HydrophobicContact CG1-CD1 4.05Å
727	N	88.7	Confident	83.7	Confident	31 Å²	31	37.5 Å²	37.5	17%	0.166	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.5	172.3	179.1	84.6	0	0	0	111.5	W697 A715	W697-N727 HydrophobicContact CB-CB 4.08Å; W697-N727 HydrophobicContact CD2-CB 3.93Å; W697-N727 HydrophobicContact CE3-CB 3.52Å; W697-N727 HydrophobicContact CG-CB 4.22Å; W697-N727 HydrophobicContact CZ3-CB 4.16Å; A715-N727 PolarHBondContact N-O 3.35Å; A715-N727 PolarHBondContact O-N 2.85Å
728	L	86.8	Confident	82.3	Confident	65 Å²	65	43.2 Å²	43.2	34%	0.34	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.5	176.1	-53.2	179.1	0	0	0	110.3	I714 V730 P732 L735	I714-L728 HydrophobicContact CB-CD2 4.44Å; I714-L728 HydrophobicContact CD1-CD2 4.09Å; I714-L728 HydrophobicContact CG1-CD2 3.77Å; I714-L728 HydrophobicContact CG2-CD2 4.17Å; L728-V730 WeakPolarHBondContact CB-O 2.95Å; L728-P732 HydrophobicContact CD1-CG 3.93Å; L728-L735 HydrophobicContact CD2-CD1 4.34Å
729	F	84.3	Confident	80.9	Confident	36 Å²	36	46 Å²	46	16%	0.158	25%	0.249	C	C	.	.	S	Bend	trans	-88.4	-11.3	170.9	-60.6	-70.3	0	0	0	113	Y61 W697 L700 V701 V712 E713 A715	Y61-F729 HydrophobicContact CD1-CD1 4.34Å; Y61-F729 HydrophobicContact CD1-CD2 4.35Å; Y61-F729 HydrophobicContact CD1-CE1 4.06Å; Y61-F729 HydrophobicContact CD1-CE2 4.03Å; Y61-F729 AromaticContact CD1-CZ 3.89Å; Y61-F729 HydrophobicContact CD1-CZ 3.89Å; W697-F729 HydrophobicContact CB-CE1 4.45Å; W697-F729 AromaticContact CD1-CZ 3.93Å; W697-F729 HydrophobicContact CG-CZ 4.42Å; L700-F729 HydrophobicContact CB-CE1 4.17Å; L700-F729 HydrophobicContact CD1-CE1 4.47Å; V701-F729 HydrophobicContact CG2-CD1 3.69Å; V701-F729 HydrophobicContact CG2-CE1 4.28Å; V712-F729 HydrophobicContact CG1-CD2 3.93Å; V712-F729 HydrophobicContact CG1-CE2 4.05Å; E713-F729 PolarHBondContact O-N 3.48Å; A715-F729 HydrophobicContact CB-CE2 3.58Å; A715-F729 HydrophobicContact CB-CZ 3.81Å
730	V	81.2	Confident	79.7	Confident	33 Å²	33	46.7 Å²	46.7	20%	0.2	25%	0.252	C	S	.	.	S	Bend	trans	-128.2	151.7	-172.2	173.9	0	0	0	0	108.1	E713 L728 E734 L735	E713-V730 HydrophobicContact CG-CG2 4.45Å; L728-V730 WeakPolarHBondContact CB-O 2.95Å; V730-E734 HydrophobicContact CG1-CB 3.31Å; V730-E734 HydrophobicContact CG1-CG 4.48Å; V730-L735 HydrophobicContact CB-CD2 4.5Å
731	V	78.3	Confident	78.6	Confident	82 Å²	82	48 Å²	48	50%	0.497	26%	0.26	S	S	.	.			trans	-65.6	142.8	177.6	-176.2	0	0	0	0	108.8	D733 E734	V731-D733 PolarHBondContact O-N 3.41Å; V731-D733 VanDerWaalsContact O-N 3.09Å; V731-E734 PolarHBondContact O-N 3.19Å
732	P	76.5	Confident	77.2	Confident	66 Å²	66	50 Å²	50	43%	0.429	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-49.1	-39.5	-178.5	-31.5	36.2	0	0	0	114.8	L728 E734 L735	L728-P732 HydrophobicContact CD1-CG 3.93Å; P732-E734 PolarHBondContact O-N 3.31Å; P732-L735 WeakPolarHBondContact O-CB 3.45Å; P732-L735 WeakPolarHBondContact O-CG 3.5Å; P732-L735 PolarHBondContact O-N 3.32Å
733	D	72.7	Confident	75.6	Confident	154 Å²	154	54.6 Å²	54.6	82%	0.824	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-66.3	-15.5	178.6	-53.9	-23.3	0	0	0	114.4	V731	V731-D733 PolarHBondContact O-N 3.41Å; V731-D733 VanDerWaalsContact O-N 3.09Å
734	E	72.7	Confident	74	Confident	127 Å²	127	62.2 Å²	62.2	59%	0.593	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-102	2.6	-180	-76.1	-175.2	175.1	0	0	113.2	V730 V731 P732	V730-E734 HydrophobicContact CG1-CB 3.31Å; V730-E734 HydrophobicContact CG1-CG 4.48Å; V731-E734 PolarHBondContact O-N 3.19Å; P732-E734 PolarHBondContact O-N 3.31Å
735	L	74.8	Confident	72.7	Confident	27 Å²	27	62 Å²	62	14%	0.141	34%	0.342	C	S	.	.			trans	-71.5	131.1	177.4	-66.8	175.6	0	0	0	111.5	E713 I714 L728 V730 P732 N737	E713-L735 HydrophobicContact CB-CD2 3.94Å; I714-L735 HydrophobicContact CD1-CD2 4.16Å; I714-L735 HydrophobicContact CG1-CD2 3.97Å; L728-L735 HydrophobicContact CD2-CD1 4.34Å; V730-L735 HydrophobicContact CB-CD2 4.5Å; P732-L735 WeakPolarHBondContact O-CB 3.45Å; P732-L735 WeakPolarHBondContact O-CG 3.5Å; P732-L735 PolarHBondContact O-N 3.32Å; L735-N737 VanDerWaalsContact C-N 3.32Å; L735-N737 PolarHBondContact O-N 3.36Å
736	T	69.6	Low	71.4	Confident	55 Å²	55	68.1 Å²	68.1	34%	0.337	37%	0.369	S	S	.	.	S	Bend	trans	-77.4	-14.6	177.4	49.5	0	0	0	0	114.7	E713 V785 K811	E713-T736 WeakPolarHBondContact OE1-CB 3.16Å; E713-T736 WeakPolarHBondContact OE1-CG2 3.4Å; E713-T736 PolarHBondContact OE1-N 2.99Å; E713-T736 PolarHBondContact OE1-OG1 3.35Å; E713-T736 PolarHBondContact OE2-OG1 2.63Å; T736-V785 WeakPolarHBondContact OG1-CG1 3.02Å; T736-K811 HydrophobicContact CG2-CD 4.02Å; T736-K811 HydrophobicContact CG2-CG 4.2Å
737	N	66.3	Low	70.4	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	37%	0.367	C	S	.	.			trans	-142.5	104.4	174	178.4	22.9	0	0	0	109	L735 D739 R783 V785	L735-N737 VanDerWaalsContact C-N 3.32Å; L735-N737 PolarHBondContact O-N 3.36Å; N737-D739 VanDerWaalsContact C-N 3.31Å; N737-D739 PolarHBondContact OD1-N 3.11Å; N737-R783 PolarHBondContact OD1-NE 2.85Å; N737-V785 HydrophobicContact CB-CG1 3.98Å; N737-V785 HydrophobicContact CB-CG2 4.32Å
738	L	63.1	Low	69.3	Low	121 Å²	121	66.6 Å²	66.6	63%	0.634	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-21.7	179.3	-75.7	152.3	0	0	0	112.7	T742	L738-T742 WeakPolarHBondContact O-CG2 3.46Å
739	D	63.5	Low	68.9	Low	59 Å²	59	65.6 Å²	65.6	32%	0.316	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.6	-169.9	-43.4	-29.4	0	0	0	113	N737 T742 D745 R783	N737-D739 VanDerWaalsContact C-N 3.31Å; N737-D739 PolarHBondContact OD1-N 3.11Å; D739-T742 PolarHBondContact O-OG1 3.07Å; D739-D745 WeakPolarHBondContact O-CB 3.46Å; D739-R783 IonicContact OD2-CZ 3.79Å; D739-R783 IonicContact OD2-NE 3.17Å; D739-R783 IonicContact OD2-NH2 3.86Å; D739-R783 PolarHBondContact OD2-NH2 3.16Å
740	F	66.9	Low	68.7	Low	14 Å²	14	64.4 Å²	64.4	6%	0.061	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	132.2	179.5	-175.7	-122.8	0	0	0	110.9	I714 Y716 T742 L787 Q809	I714-F740 HydrophobicContact CD1-CD1 4.2Å; Y716-F740 AromaticContact CD1-CE1 3.59Å; Y716-F740 HydrophobicContact CD1-CE1 3.59Å; Y716-F740 HydrophobicContact CD1-CZ 4.06Å; Y716-F740 AromaticContact CE1-CE1 3.56Å; Y716-F740 HydrophobicContact CE1-CE1 3.56Å; Y716-F740 AromaticContact CE1-CZ 3.72Å; Y716-F740 HydrophobicContact CE1-CZ 3.72Å; Y716-F740 HydrophobicContact CG-CE1 4.37Å; F740-T742 PolarHBondContact O-N 3.12Å; F740-L787 HydrophobicContact CD2-CD2 4.35Å; F740-L787 HydrophobicContact CE1-CD2 3.94Å; F740-L787 HydrophobicContact CE2-CD1 3.68Å; F740-L787 HydrophobicContact CE2-CD2 3.74Å; F740-L787 HydrophobicContact CE2-CG 4.38Å; F740-L787 HydrophobicContact CZ-CD1 4.07Å; F740-L787 HydrophobicContact CZ-CD2 3.52Å; F740-L787 HydrophobicContact CZ-CG 4.45Å; F740-Q809 VanDerWaalsContact CG-OE1 3.26Å
741	L	63.3	Low	68.4	Low	35 Å²	35	63.9 Å²	63.9	18%	0.183	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	18	-176.3	-51.6	171.4	0	0	0	114.4	Y716 I726 G748	Y716-L741 HydrophobicContact CD1-CD1 4.4Å; Y716-L741 HydrophobicContact CG-CD1 4.18Å; I726-L741 HydrophobicContact CD1-CB 4.1Å; I726-L741 HydrophobicContact CD1-CD1 3.69Å; I726-L741 HydrophobicContact CG1-CD1 4.05Å; L741-G748 VanDerWaalsContact CD2-O 3.27Å; L741-G748 WeakPolarHBondContact CD2-O 3.42Å
742	T	60.6	Low	68	Low	48 Å²	48	61.4 Å²	61.4	29%	0.294	34%	0.336	S	S	.	.	S	Bend	trans	-87.6	165.2	168.7	71.5	0	0	0	0	110.4	L738 D739 F740 E744 D745 V749	L738-T742 WeakPolarHBondContact O-CG2 3.46Å; D739-T742 PolarHBondContact O-OG1 3.07Å; F740-T742 PolarHBondContact O-N 3.12Å; T742-E744 PolarHBondContact O-N 3.46Å; T742-E744 PolarHBondContact OG1-N 3.45Å; T742-D745 PolarHBondContact O-N 2.94Å; T742-V749 WeakPolarHBondContact O-CG2 3.02Å
743	A	55.2	Low	67.6	Low	95 Å²	95	60.7 Å²	60.7	79%	0.785	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.4	177.1	0	0	0	0	0	114.4
744	E	57.5	Low	67.8	Low	161 Å²	161	56.2 Å²	56.2	75%	0.752	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-29.2	172.6	-58.2	-169.5	172.8	0	0	112.1	T742 K746	T742-E744 PolarHBondContact O-N 3.46Å; T742-E744 PolarHBondContact OG1-N 3.45Å; E744-K746 VanDerWaalsContact C-N 3.29Å; E744-K746 PolarHBondContact O-N 2.89Å
745	D	66	Low	68.4	Low	17 Å²	17	50.4 Å²	50.4	9%	0.091	28%	0.275	C	S	.	.			trans	-84.3	69.1	174	-174	16.5	0	0	0	111.4	D739 T742 E747 G748 V749	D739-D745 WeakPolarHBondContact O-CB 3.46Å; T742-D745 PolarHBondContact O-N 2.94Å; D745-E747 PolarHBondContact O-N 3.39Å; D745-E747 VanDerWaalsContact O-N 3.13Å; D745-G748 WeakPolarHBondContact O-CA 3.38Å; D745-G748 PolarHBondContact O-N 2.73Å; D745-G748 PolarHBondContact OD1-N 2.69Å; D745-V749 PolarHBondContact O-N 2.7Å
746	K	63.2	Low	69.1	Low	131 Å²	131	49.1 Å²	49.1	57%	0.57	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.4	179.1	-65.6	-171.6	177.4	-171.9	0	113.3	E744 G748 N751	E744-K746 VanDerWaalsContact C-N 3.29Å; E744-K746 PolarHBondContact O-N 2.89Å; K746-G748 VanDerWaalsContact C-N 3.35Å; K746-N751 PolarHBondContact O-ND2 3.15Å
747	E	68.1	Low	69.9	Low	62 Å²	62	47.2 Å²	47.2	29%	0.29	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.3	178.9	-66.9	-171.2	-151.7	0	0	113	D745 L757	D745-E747 PolarHBondContact O-N 3.39Å; D745-E747 VanDerWaalsContact O-N 3.13Å; E747-L757 HydrophobicContact CB-CB 4.39Å; E747-L757 PolarHBondContact O-N 2.94Å; E747-L757 WeakPolarHBondContact OE2-CD2 3.49Å
748	G	64.7	Low	71	Confident	4 Å²	4	47.8 Å²	47.8	4%	0.041	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-22.5	179.1	0	0	0	0	0	115.5	L741 D745 K746 P756 W758	L741-G748 VanDerWaalsContact CD2-O 3.27Å; L741-G748 WeakPolarHBondContact CD2-O 3.42Å; D745-G748 WeakPolarHBondContact O-CA 3.38Å; D745-G748 PolarHBondContact O-N 2.73Å; D745-G748 PolarHBondContact OD1-N 2.69Å; K746-G748 VanDerWaalsContact C-N 3.35Å; G748-P756 WeakPolarHBondContact O-CB 3.22Å; G748-W758 PolarHBondContact O-NE1 3.39Å
749	V	77.7	Confident	72.3	Confident	43 Å²	43	42 Å²	42	26%	0.261	23%	0.228	S	C	.	.	S	Bend	trans	-101.3	162.1	-175.7	-178.2	0	0	0	0	112.1	T742 D745 N751	T742-V749 WeakPolarHBondContact O-CG2 3.02Å; D745-V749 PolarHBondContact O-N 2.7Å; V749-N751 PolarHBondContact O-N 2.88Å
750	F	80.1	Confident	73.6	Confident	11 Å²	11	40.9 Å²	40.9	5%	0.048	22%	0.22	C	C	.	.			trans	-75.6	109.4	171.4	-72.5	-93.8	0	0	0	110.2	A639 W642 T719 F755 P756 Y759	A639-F750 HydrophobicContact CB-CB 3.53Å; A639-F750 HydrophobicContact CB-CG 4.23Å; W642-F750 HydrophobicContact CZ2-CD1 4.33Å; T719-F750 WeakPolarHBondContact O-CE1 3.38Å; T719-F750 WeakPolarHBondContact O-CZ 3.45Å; F750-F755 HydrophobicContact CD1-CD1 4.1Å; F750-F755 HydrophobicContact CD1-CE1 4.44Å; F750-F755 AromaticContact CE1-CD1 3.63Å; F750-F755 HydrophobicContact CE1-CD1 3.63Å; F750-F755 AromaticContact CE1-CE1 3.9Å; F750-F755 HydrophobicContact CE1-CE1 3.9Å; F750-P756 HydrophobicContact CD1-CG 4.28Å; F750-P756 HydrophobicContact CD2-CG 3.96Å; F750-P756 HydrophobicContact CE1-CG 4.41Å; F750-P756 HydrophobicContact CE2-CG 4.08Å; F750-P756 HydrophobicContact CG-CG 4.06Å; F750-P756 HydrophobicContact CZ-CG 4.31Å; F750-Y759 HydrophobicContact CE1-CD1 4.46Å; F750-Y759 HydrophobicContact CZ-CD1 4.24Å; F750-Y759 HydrophobicContact CZ-CE1 4.42Å
751	N	75.4	Confident	74.6	Confident	22 Å²	22	41 Å²	41	12%	0.118	22%	0.22	C	C	.	.			trans	-95.2	167.1	176.6	-62.5	-34.2	0	0	0	111.8	E641 W642 K746 V749 D753 H754	E641-N751 WeakPolarHBondContact OE2-CA 3.38Å; W642-N751 PolarHBondContact NE1-O 2.82Å; K746-N751 PolarHBondContact O-ND2 3.15Å; V749-N751 PolarHBondContact O-N 2.88Å; N751-D753 PolarHBondContact O-N 2.86Å; N751-D753 VanDerWaalsContact O-N 3.12Å; N751-H754 PolarHBondContact N-O 3.28Å; N751-H754 PolarHBondContact ND2-CE1 3.29Å; N751-H754 PolarHBondContact ND2-NE2 3.22Å
752	A	69.7	Low	75.9	Confident	30 Å²	30	39.4 Å²	39.4	25%	0.248	21%	0.212	C	C	.	.	S	Bend	trans	-50.3	-32.9	169.2	0	0	0	0	0	112	K504 E641	K504-A752 WeakPolarHBondContact CE-O 3.42Å; E641-A752 HydrophobicContact CB-CB 3.96Å; E641-A752 WeakPolarHBondContact OE2-CB 3.45Å; E641-A752 PolarHBondContact OE2-N 2.89Å
753	D	68.3	Low	77.2	Confident	52 Å²	52	37.2 Å²	37.2	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	-102	-32.2	-171.1	-82.7	-43.6	0	0	0	116.7	L499 K504 N751	L499-D753 WeakPolarHBondContact CD1-OD1 3.38Å; L499-D753 WeakPolarHBondContact CD2-OD1 3.47Å; K504-D753 PolarHBondContact NZ-O 2.83Å; K504-D753 IonicContact NZ-OD1 2.62Å; K504-D753 PolarHBondContact NZ-OD1 2.93Å; N751-D753 PolarHBondContact O-N 2.86Å; N751-D753 VanDerWaalsContact O-N 3.12Å
754	H	77.8	Confident	78.7	Confident	59 Å²	59	34.1 Å²	34.1	27%	0.273	17%	0.168	S	C	.	.			trans	-150.7	154.6	-171.6	59.3	-111.1	0	0	0	113.8	N751 K760	N751-H754 PolarHBondContact N-O 3.28Å; N751-H754 PolarHBondContact ND2-CE1 3.29Å; N751-H754 PolarHBondContact ND2-NE2 3.22Å; H754-K760 PolarHBondContact CD2-NZ 3.27Å
755	F	85.8	Confident	80.1	Confident	5 Å²	5	28.3 Å²	28.3	2%	0.022	14%	0.141	C	C	.	.			trans	-68.6	153.9	168.1	-73.7	-97.6	0	0	0	111.6	G508 I509 W642 R720 F750 Y759 K760	G508-F755 VanDerWaalsContact O-CE2 3.32Å; G508-F755 WeakPolarHBondContact O-CE2 3.36Å; I509-F755 HydrophobicContact CG2-CB 4.35Å; I509-F755 HydrophobicContact CG2-CG 4.45Å; I509-F755 WeakPolarHBondContact O-CD2 3.21Å; W642-F755 AromaticContact CH2-CE1 3.97Å; W642-F755 HydrophobicContact CH2-CE1 3.97Å; W642-F755 HydrophobicContact CH2-CE2 4.28Å; W642-F755 AromaticContact CH2-CZ 3.65Å; W642-F755 HydrophobicContact CH2-CZ 3.65Å; W642-F755 HydrophobicContact CZ2-CE1 4.43Å; W642-F755 HydrophobicContact CZ2-CE2 4.39Å; W642-F755 HydrophobicContact CZ2-CZ 4.15Å; R720-F755 HydrophobicContact CG-CZ 4.47Å; F750-F755 HydrophobicContact CD1-CD1 4.1Å; F750-F755 HydrophobicContact CD1-CE1 4.44Å; F750-F755 AromaticContact CE1-CD1 3.63Å; F750-F755 HydrophobicContact CE1-CD1 3.63Å; F750-F755 AromaticContact CE1-CE1 3.9Å; F750-F755 HydrophobicContact CE1-CE1 3.9Å; F755-Y759 HydrophobicContact CD1-CD1 4.17Å; F755-Y759 HydrophobicContact CD1-CE1 4.23Å; F755-K760 HydrophobicContact CB-CD 4.49Å; F755-K760 HydrophobicContact CB-CG 4.04Å; F755-K760 VanDerWaalsContact O-CD 3.28Å; F755-K760 WeakPolarHBondContact O-CD 3.37Å; F755-K760 WeakPolarHBondContact O-CE 3.43Å; F755-K760 PolarHBondContact O-NZ 3.33Å
756	P	88.3	Confident	80.9	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.163	C	C	.	.			trans	-51.5	145.8	175.7	-27.2	32.5	0	0	0	113.7	G748 F750 W758 Y759 K760	G748-P756 WeakPolarHBondContact O-CB 3.22Å; F750-P756 HydrophobicContact CD1-CG 4.28Å; F750-P756 HydrophobicContact CD2-CG 3.96Å; F750-P756 HydrophobicContact CE1-CG 4.41Å; F750-P756 HydrophobicContact CE2-CG 4.08Å; F750-P756 HydrophobicContact CG-CG 4.06Å; F750-P756 HydrophobicContact CZ-CG 4.31Å; P756-W758 VanDerWaalsContact C-N 3.33Å; P756-W758 HydrophobicContact CB-CD2 4.2Å; P756-W758 HydrophobicContact CB-CG 4.26Å; P756-W758 HydrophobicContact CB-CZ2 4.04Å; P756-W758 VanDerWaalsContact CB-NE1 3.26Å; P756-W758 HydrophobicContact CG-CZ2 4.07Å; P756-W758 PolarHBondContact O-N 2.77Å; P756-Y759 WeakPolarHBondContact O-CB 3.48Å; P756-Y759 PolarHBondContact O-N 2.71Å; P756-Y759 VanDerWaalsContact O-N 3.13Å; P756-K760 PolarHBondContact O-N 2.66Å
757	L	86.9	Confident	81.8	Confident	15 Å²	15	27.7 Å²	27.7	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-40.7	-178	179.2	58.3	0	0	0	112.5	V580 E747 Y759 K760 R761	V580-L757 HydrophobicContact CB-CD1 3.67Å; V580-L757 HydrophobicContact CG1-CD1 3.95Å; V580-L757 HydrophobicContact CG2-CD1 4.02Å; E747-L757 HydrophobicContact CB-CB 4.39Å; E747-L757 PolarHBondContact O-N 2.94Å; E747-L757 WeakPolarHBondContact OE2-CD2 3.49Å; L757-Y759 VanDerWaalsContact C-N 3.28Å; L757-Y759 PolarHBondContact O-N 3.02Å; L757-K760 PolarHBondContact O-N 2.61Å; L757-R761 HydrophobicContact CD1-CG 3.9Å; L757-R761 HydrophobicContact CG-CG 4.36Å; L757-R761 WeakPolarHBondContact O-CB 3.48Å; L757-R761 WeakPolarHBondContact O-CG 3.19Å; L757-R761 PolarHBondContact O-N 2.84Å
758	W	89.1	Confident	82.3	Confident	19 Å²	19	26.6 Å²	26.6	7%	0.072	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-35.2	177.2	58.7	-97.6	0	0	0	112.1	Y716 G748 P756 A762 A805	Y716-W758 HydrophobicContact CD2-CD2 4.1Å; Y716-W758 HydrophobicContact CD2-CE3 4Å; Y716-W758 AromaticContact CD2-CH2 3.95Å; Y716-W758 HydrophobicContact CD2-CH2 3.95Å; Y716-W758 HydrophobicContact CD2-CZ2 4.04Å; Y716-W758 AromaticContact CD2-CZ3 3.92Å; Y716-W758 HydrophobicContact CD2-CZ3 3.92Å; Y716-W758 AromaticContact CE2-CD2 3.71Å; Y716-W758 HydrophobicContact CE2-CD2 3.71Å; Y716-W758 AromaticContact CE2-CE3 3.63Å; Y716-W758 HydrophobicContact CE2-CE3 3.63Å; Y716-W758 HydrophobicContact CE2-CG 4.21Å; Y716-W758 HydrophobicContact CE2-CH2 4.42Å; Y716-W758 HydrophobicContact CE2-CZ2 4.5Å; Y716-W758 AromaticContact CE2-CZ3 3.99Å; Y716-W758 HydrophobicContact CE2-CZ3 3.99Å; G748-W758 PolarHBondContact O-NE1 3.39Å; P756-W758 VanDerWaalsContact C-N 3.33Å; P756-W758 HydrophobicContact CB-CD2 4.2Å; P756-W758 HydrophobicContact CB-CG 4.26Å; P756-W758 HydrophobicContact CB-CZ2 4.04Å; P756-W758 VanDerWaalsContact CB-NE1 3.26Å; P756-W758 HydrophobicContact CG-CZ2 4.07Å; P756-W758 PolarHBondContact O-N 2.77Å; W758-A762 WeakPolarHBondContact O-CB 3.46Å; W758-A762 PolarHBondContact O-N 3.1Å; W758-A805 HydrophobicContact CE3-CB 4.26Å; W758-A805 HydrophobicContact CZ3-CB 3.68Å
759	Y	90.6	Very high	83.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-55.7	172.9	-162.4	150.1	0	0	0	110	I509 G718 F750 F755 P756 L757 R761 A762 A763 I802 A803 A804 A805	I509-Y759 HydrophobicContact CD1-CD2 4.16Å; I509-Y759 HydrophobicContact CD1-CE2 3.48Å; I509-Y759 VanDerWaalsContact CD1-CE2 3.48Å; I509-Y759 HydrophobicContact CG1-CD2 4.23Å; I509-Y759 HydrophobicContact CG1-CE2 3.75Å; I509-Y759 HydrophobicContact CG2-CD2 4.05Å; I509-Y759 HydrophobicContact CG2-CE2 4.42Å; G718-Y759 WeakPolarHBondContact O-CE1 3.17Å; F750-Y759 HydrophobicContact CE1-CD1 4.46Å; F750-Y759 HydrophobicContact CZ-CD1 4.24Å; F750-Y759 HydrophobicContact CZ-CE1 4.42Å; F755-Y759 HydrophobicContact CD1-CD1 4.17Å; F755-Y759 HydrophobicContact CD1-CE1 4.23Å; P756-Y759 WeakPolarHBondContact O-CB 3.48Å; P756-Y759 PolarHBondContact O-N 2.71Å; P756-Y759 VanDerWaalsContact O-N 3.13Å; L757-Y759 VanDerWaalsContact C-N 3.28Å; L757-Y759 PolarHBondContact O-N 3.02Å; Y759-R761 PolarHBondContact O-N 3.06Å; Y759-A762 PolarHBondContact O-N 2.96Å; Y759-A763 PolarHBondContact O-N 3.16Å; Y759-I802 HydrophobicContact CE2-CG2 4.06Å; Y759-A803 PolarHBondContact OH-O 2.84Å; Y759-A804 WeakPolarHBondContact OH-CA 3.36Å; Y759-A805 HydrophobicContact CD1-CB 3.98Å; Y759-A805 HydrophobicContact CD2-CB 3.49Å; Y759-A805 VanDerWaalsContact CD2-CB 3.49Å; Y759-A805 HydrophobicContact CE1-CB 4.24Å; Y759-A805 HydrophobicContact CE2-CB 3.75Å; Y759-A805 HydrophobicContact CG-CB 3.6Å
760	K	89.5	Confident	84.3	Confident	34 Å²	34	25.5 Å²	25.5	15%	0.148	15%	0.147	C	C	.	.	H	α-helix	trans	-51.3	-42.5	179	-70.8	179.4	-59.3	-151.2	0	111.9	I509 H510 H754 F755 P756 L757	I509-K760 HydrophobicContact CG2-CB 4.43Å; I509-K760 HydrophobicContact CG2-CG 3.96Å; H510-K760 PolarHBondContact CE1-O 3.28Å; H510-K760 PolarHBondContact NE2-O 3.27Å; H510-K760 VanDerWaalsContact NE2-O 3.17Å; H754-K760 PolarHBondContact CD2-NZ 3.27Å; F755-K760 HydrophobicContact CB-CD 4.49Å; F755-K760 HydrophobicContact CB-CG 4.04Å; F755-K760 VanDerWaalsContact O-CD 3.28Å; F755-K760 WeakPolarHBondContact O-CD 3.37Å; F755-K760 WeakPolarHBondContact O-CE 3.43Å; F755-K760 PolarHBondContact O-NZ 3.33Å; P756-K760 PolarHBondContact O-N 2.66Å; L757-K760 PolarHBondContact O-N 2.61Å
761	R	88.9	Confident	84.9	Confident	16 Å²	16	25.5 Å²	25.5	6%	0.06	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-50.7	175.4	-69.4	177.5	67.2	174.7	1.4	111.6	D581 R585 L757 Y759 A763 E764 I771	D581-R761 IonicContact OD2-NH1 3.52Å; D581-R761 PolarHBondContact OD2-NH1 2.85Å; R585-R761 VanDerWaalsContact CD-NH2 3.35Å; L757-R761 HydrophobicContact CD1-CG 3.9Å; L757-R761 HydrophobicContact CG-CG 4.36Å; L757-R761 WeakPolarHBondContact O-CB 3.48Å; L757-R761 WeakPolarHBondContact O-CG 3.19Å; L757-R761 PolarHBondContact O-N 2.84Å; Y759-R761 PolarHBondContact O-N 3.06Å; R761-A763 PolarHBondContact O-N 3.24Å; R761-A763 VanDerWaalsContact O-N 3.14Å; R761-E764 PolarHBondContact O-N 3.4Å; R761-I771 HydrophobicContact CB-CD1 3.89Å; R761-I771 WeakPolarHBondContact O-CD1 3.48Å
762	A	90.4	Very high	85.7	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-56.9	-30.4	-178.8	0	0	0	0	0	113.1	W758 Y759 A791 A805	W758-A762 WeakPolarHBondContact O-CB 3.46Å; W758-A762 PolarHBondContact O-N 3.1Å; Y759-A762 PolarHBondContact O-N 2.96Å; A762-A791 HydrophobicContact CB-CB 4.43Å; A762-A791 VanDerWaalsContact O-CB 3.26Å; A762-A791 WeakPolarHBondContact O-CB 3.21Å; A762-A805 HydrophobicContact CB-CB 4.32Å
763	A	89.1	Confident	86.6	Confident	2 Å²	2	23.8 Å²	23.8	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-41.6	179	0	0	0	0	0	114.1	I509 H613 Y759 R761 Q765 I802	I509-A763 HydrophobicContact CD1-CB 3.92Å; I509-A763 HydrophobicContact CG2-CB 4.05Å; H613-A763 PolarHBondContact CE1-O 3.32Å; Y759-A763 PolarHBondContact O-N 3.16Å; R761-A763 PolarHBondContact O-N 3.24Å; R761-A763 VanDerWaalsContact O-N 3.14Å; A763-Q765 PolarHBondContact O-N 2.97Å; A763-I802 HydrophobicContact CB-CD1 3.65Å; A763-I802 WeakPolarHBondContact O-CD1 3.44Å
764	E	86.2	Confident	87.3	Confident	31 Å²	31	22 Å²	22	15%	0.145	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.3	-176.8	-71.6	-60.5	147.2	0	0	114.3	H510 L589 H613 R761 R969	H510-E764 IonicContact CD2-OE1 3.77Å; H510-E764 IonicContact CE1-OE1 2.83Å; H510-E764 IonicContact NE2-OE1 3.6Å; H510-E764 PolarHBondContact NE2-OE1 3.08Å; L589-E764 VanDerWaalsContact CD2-CD 3.44Å; L589-E764 HydrophobicContact CD2-CG 3.88Å; L589-E764 VanDerWaalsContact CD2-OE1 3.24Å; L589-E764 WeakPolarHBondContact CD2-OE1 3.31Å; H613-E764 IonicContact CD2-OE1 3.78Å; H613-E764 PolarHBondContact CD2-OE1 3.22Å; H613-E764 IonicContact CG-OE1 3.37Å; H613-E764 IonicContact NE2-OE1 3.11Å; R761-E764 PolarHBondContact O-N 3.4Å; E764-R969 PolarHBondContact O-NH1 3.2Å; E764-R969 PolarHBondContact O-NH2 3.04Å
765	Q	85.4	Confident	87.2	Confident	38 Å²	38	20.7 Å²	20.7	18%	0.178	12%	0.122	C	C	.	.	S	Bend	trans	-107.4	148.5	-178.3	-178.9	63.2	21.3	0	0	110.3	A763 P767 T769 I771	A763-Q765 PolarHBondContact O-N 2.97Å; Q765-P767 WeakPolarHBondContact O-CD 3.35Å; Q765-T769 VanDerWaalsContact CG-OG1 3.25Å; Q765-T769 WeakPolarHBondContact CG-OG1 3.37Å; Q765-T769 PolarHBondContact NE2-OG1 3.03Å; Q765-I771 HydrophobicContact CB-CD1 3.64Å; Q765-I771 HydrophobicContact CB-CG1 3.85Å; Q765-I771 HydrophobicContact CG-CD1 4.16Å; Q765-I771 HydrophobicContact CG-CG1 3.79Å
766	V	83.7	Confident	86.3	Confident	92 Å²	92	22.4 Å²	22.4	56%	0.558	13%	0.129	S	C	*	.			trans	-58.5	125	-175.8	-177.4	0	0	0	0	110.4	T769	V766-T769 HydrophobicContact CB-CG2 4.38Å; V766-T769 WeakPolarHBondContact O-CB 3.38Å; V766-T769 PolarHBondContact O-N 2.92Å; V766-T769 VanDerWaalsContact O-N 3.07Å; V766-T769 PolarHBondContact O-OG1 3.22Å
767	P	81.3	Confident	84.8	Confident	43 Å²	43	25.4 Å²	25.4	28%	0.279	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	140.4	-179.1	-31.6	38.3	0	0	0	113.4	Q765 T769 Q793	Q765-P767 WeakPolarHBondContact O-CD 3.35Å; P767-T769 VanDerWaalsContact C-N 3.28Å; P767-T769 PolarHBondContact O-N 3.37Å; P767-Q793 HydrophobicContact CB-CB 4.09Å; P767-Q793 HydrophobicContact CG-CB 3.97Å
768	G	80.4	Confident	82.8	Confident	39 Å²	39	29.9 Å²	29.9	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	9.4	-173.7	0	0	0	0	0	115.2	K55	K55-G768 WeakPolarHBondContact CE-O 3.22Å; K55-G768 PolarHBondContact NZ-O 3.39Å; K55-G768 VanDerWaalsContact NZ-O 3.09Å
769	T	89.9	Confident	80.6	Confident	21 Å²	21	31.5 Å²	31.5	13%	0.129	20%	0.201	C	C	.	.			trans	-109.9	149.6	162.5	71.2	0	0	0	0	110	Q765 V766 P767 T790 S994	Q765-T769 VanDerWaalsContact CG-OG1 3.25Å; Q765-T769 WeakPolarHBondContact CG-OG1 3.37Å; Q765-T769 PolarHBondContact NE2-OG1 3.03Å; V766-T769 HydrophobicContact CB-CG2 4.38Å; V766-T769 WeakPolarHBondContact O-CB 3.38Å; V766-T769 PolarHBondContact O-N 2.92Å; V766-T769 VanDerWaalsContact O-N 3.07Å; V766-T769 PolarHBondContact O-OG1 3.22Å; P767-T769 VanDerWaalsContact C-N 3.28Å; P767-T769 PolarHBondContact O-N 3.37Å; T769-T790 WeakPolarHBondContact O-CB 3.35Å; T769-T790 PolarHBondContact O-OG1 3.39Å; T769-S994 WeakPolarHBondContact CA-O 3.47Å; T769-S994 VanDerWaalsContact CB-O 3.26Å; T769-S994 WeakPolarHBondContact CB-O 3.42Å
770	F	92.8	Very high	78.4	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.013	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-104.7	135.2	-174.8	-79.6	-88.2	0	0	0	111.4	K55 A59 Y772 S789 T790 S994 S995	K55-F770 HydrophobicContact CG-CD2 4.31Å; K55-F770 HydrophobicContact CG-CE2 4.46Å; A59-F770 HydrophobicContact CB-CE2 4.19Å; A59-F770 HydrophobicContact CB-CZ 4.34Å; F770-Y772 HydrophobicContact CB-CD2 4.32Å; F770-Y772 HydrophobicContact CB-CE2 3.56Å; F770-S789 WeakPolarHBondContact CA-O 3.25Å; F770-T790 HydrophobicContact CD1-CG2 4.11Å; F770-T790 HydrophobicContact CE1-CG2 3.54Å; F770-T790 HydrophobicContact CE2-CG2 4.4Å; F770-T790 HydrophobicContact CZ-CG2 3.72Å; F770-S994 PolarHBondContact N-O 3.44Å; F770-S995 VanDerWaalsContact O-CA 3.23Å; F770-S995 WeakPolarHBondContact O-CA 3.47Å; F770-S995 WeakPolarHBondContact O-CB 3.48Å
771	I	92.6	Very high	76.5	Confident	12 Å²	12	43.6 Å²	43.6	6%	0.062	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.3	167.5	-59.3	-175.4	0	0	0	108	R761 Q765 A788 S789 N996	R761-I771 HydrophobicContact CB-CD1 3.89Å; R761-I771 WeakPolarHBondContact O-CD1 3.48Å; Q765-I771 HydrophobicContact CB-CD1 3.64Å; Q765-I771 HydrophobicContact CB-CG1 3.85Å; Q765-I771 HydrophobicContact CG-CD1 4.16Å; Q765-I771 HydrophobicContact CG-CG1 3.79Å; I771-A788 CarbonylContact O-C 3.6Å; I771-A788 VanDerWaalsContact O-CA 3.26Å; I771-A788 WeakPolarHBondContact O-CA 3.48Å; I771-S789 PolarHBondContact N-O 3.05Å; I771-S789 PolarHBondContact O-N 3.37Å; I771-N996 WeakPolarHBondContact CA-OD1 3.24Å
772	Y	92.1	Very high	74.7	Confident	5 Å²	5	50 Å²	50	2%	0.02	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.1	170.2	-60.2	-91.9	0	0	0	108.8	M54 S58 F770 V786 L787 A788 M810 F815 N996 L997	M54-Y772 HydrophobicContact CE-CE1 4.07Å; M54-Y772 PolarHBondContact O-OH 3.47Å; S58-Y772 WeakPolarHBondContact OG-CE1 3.08Å; S58-Y772 PolarHBondContact OG-OH 3.48Å; F770-Y772 HydrophobicContact CB-CD2 4.32Å; F770-Y772 HydrophobicContact CB-CE2 3.56Å; Y772-V786 HydrophobicContact CD1-CG1 4.24Å; Y772-L787 WeakPolarHBondContact CA-O 3.42Å; Y772-A788 HydrophobicContact CD1-CB 3.62Å; Y772-A788 HydrophobicContact CE1-CB 3.49Å; Y772-A788 VanDerWaalsContact CE1-CB 3.49Å; Y772-M810 HydrophobicContact CE1-CE 4.23Å; Y772-F815 AromaticContact CD1-CE2 3.66Å; Y772-F815 HydrophobicContact CD1-CE2 3.66Å; Y772-F815 HydrophobicContact CD1-CZ 4.09Å; Y772-F815 HydrophobicContact CE1-CE2 4.03Å; Y772-F815 HydrophobicContact CG-CE2 4.26Å; Y772-F815 HydrophobicContact CG-CZ 4.27Å; Y772-N996 PolarHBondContact N-OD1 2.87Å; Y772-N996 PolarHBondContact O-ND2 3.27Å; Y772-N996 VanDerWaalsContact O-ND2 3.11Å; Y772-N996 PolarHBondContact O-OD1 2.85Å; Y772-L997 HydrophobicContact CD2-CD1 3.83Å; Y772-L997 HydrophobicContact CD2-CG 4.26Å; Y772-L997 HydrophobicContact CG-CD1 4.02Å
773	S	88.5	Confident	73.3	Confident	11 Å²	11	53.2 Å²	53.2	8%	0.077	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.5	-179.8	55.3	0	0	0	0	112.5	L787	S773-L787 PolarHBondContact N-O 3.2Å; S773-L787 PolarHBondContact O-N 3.04Å
774	L	84.4	Confident	72.5	Confident	14 Å²	14	55.5 Å²	55.5	7%	0.073	34%	0.335	C	S	.	.			trans	-82.9	134.8	163.6	-59.1	173.7	0	0	0	109.5	R585 V785 V786 L812 L854 T862	R585-L774 PolarHBondContact NH1-O 2.93Å; L774-V785 WeakPolarHBondContact CD2-O 3.34Å; L774-V786 HydrophobicContact CD2-CG2 3.82Å; L774-L812 HydrophobicContact CD2-CD1 4.1Å; L774-L854 HydrophobicContact CD1-CG 4.48Å; L774-L854 HydrophobicContact CG-CG 4.27Å; L774-T862 HydrophobicContact CD1-CG2 3.68Å
775	P	75.8	Confident	72.4	Confident	31 Å²	31	54 Å²	54	20%	0.201	33%	0.328	C	S	.	.			trans	-76	131.6	171	31	-31.7	0	0	0	110.4	V785 L787	P775-V785 WeakPolarHBondContact CD-O 3.29Å; P775-V785 HydrophobicContact CG-CG2 3.86Å; P775-L787 HydrophobicContact CB-CD1 4.34Å
776	F	67	Low	72.6	Confident	41 Å²	41	52.2 Å²	52.2	18%	0.18	32%	0.32	C	S	.	.			trans	-97.9	103.5	176	-67.8	-68.5	0	0	0	110.6	D581 K584 F852 G863	D581-F776 HydrophobicContact CB-CD2 3.89Å; K584-F776 HydrophobicContact CB-CE2 4.35Å; K584-F776 HydrophobicContact CD-CD1 4.05Å; K584-F776 HydrophobicContact CD-CD2 3.78Å; K584-F776 HydrophobicContact CD-CE1 4.09Å; K584-F776 HydrophobicContact CD-CE2 3.78Å; K584-F776 HydrophobicContact CD-CG 3.88Å; K584-F776 HydrophobicContact CD-CZ 3.95Å; F776-F852 HydrophobicContact CE2-CD1 4.36Å; F776-F852 HydrophobicContact CE2-CG 4.41Å; F776-F852 HydrophobicContact CZ-CB 4.5Å; F776-F852 AromaticContact CZ-CD1 3.62Å; F776-F852 HydrophobicContact CZ-CD1 3.62Å; F776-F852 AromaticContact CZ-CE1 3.98Å; F776-F852 HydrophobicContact CZ-CE1 3.98Å; F776-F852 AromaticContact CZ-CG 3.94Å; F776-F852 HydrophobicContact CZ-CG 3.94Å; F776-G863 VanDerWaalsContact CE1-O 3.31Å; F776-G863 WeakPolarHBondContact CE1-O 3.35Å
777	N	56.7	Low	72.9	Confident	64 Å²	64	48.4 Å²	48.4	34%	0.342	30%	0.296	S	S	.	.			trans	-118.8	146.5	172.1	-103.9	-27.9	0	0	0	112.7	G779 R783	N777-G779 PolarHBondContact O-N 3.4Å; N777-R783 PolarHBondContact ND2-NH1 3.15Å; N777-R783 VanDerWaalsContact ND2-NH1 3.14Å
778	S	44	Very low	73.5	Confident	109 Å²	109	46.3 Å²	46.3	76%	0.762	28%	0.283	S	S	*	.	S	Bend	trans	-82.7	18.6	-169.2	40.5	0	0	0	0	114.4
779	G	43.8	Very low	74.2	Confident	54 Å²	54	44.7 Å²	44.7	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	-81.4	153.1	167	0	0	0	0	0	110.5	N777 E781	N777-G779 PolarHBondContact O-N 3.4Å; G779-E781 PolarHBondContact O-N 3.05Å
780	S	43	Very low	74.4	Confident	129 Å²	129	43.8 Å²	43.8	90%	0.902	26%	0.26	S	S	*	.	S	Bend	trans	-70.2	11.5	-177	50.8	0	0	0	0	115.3
781	E	49.6	Very low	74.4	Confident	159 Å²	159	43.7 Å²	43.7	74%	0.743	26%	0.26	S	S	*	.	S	Bend	trans	-123.8	117.9	-175.2	-63.5	-171	173.9	0	0	110	G779 R783	G779-E781 PolarHBondContact O-N 3.05Å; E781-R783 PolarHBondContact O-N 2.03Å
782	N	52.4	Low	74.3	Confident	151 Å²	151	43.3 Å²	43.3	81%	0.807	26%	0.258	S	S	*	.			trans	-65.1	93.7	173.8	-75.9	-14.9	0	0	0	109.3	S784	N782-S784 PolarHBondContact O-N 2.9Å
783	R	60.6	Low	73.9	Confident	68 Å²	68	45.2 Å²	45.2	26%	0.257	27%	0.267	S	S	.	.			trans	-56	110.4	176.3	-69.8	-178.1	177	174.8	6.2	109.7	N737 D739 N777 E781 V785	N737-R783 PolarHBondContact OD1-NE 2.85Å; D739-R783 IonicContact OD2-CZ 3.79Å; D739-R783 IonicContact OD2-NE 3.17Å; D739-R783 IonicContact OD2-NH2 3.86Å; D739-R783 PolarHBondContact OD2-NH2 3.16Å; N777-R783 PolarHBondContact ND2-NH1 3.15Å; N777-R783 VanDerWaalsContact ND2-NH1 3.14Å; E781-R783 PolarHBondContact O-N 2.03Å; R783-V785 HydrophobicContact CB-CG2 4.34Å; R783-V785 PolarHBondContact O-N 3.16Å
784	S	72.1	Confident	73.4	Confident	50 Å²	50	44.8 Å²	44.8	35%	0.35	26%	0.264	S	S	.	.			trans	-81.7	49.2	-172.3	53	0	0	0	0	112.8	N782 L812	N782-S784 PolarHBondContact O-N 2.9Å; S784-L812 VanDerWaalsContact C-CB 3.43Å; S784-L812 WeakPolarHBondContact O-CB 3.36Å; S784-L812 PolarHBondContact O-N 2.99Å
785	V	85.2	Confident	72.8	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.3	-177.1	-62	0	0	0	0	112.7	T736 N737 L774 P775 R783 Q809 M810	T736-V785 WeakPolarHBondContact OG1-CG1 3.02Å; N737-V785 HydrophobicContact CB-CG1 3.98Å; N737-V785 HydrophobicContact CB-CG2 4.32Å; L774-V785 WeakPolarHBondContact CD2-O 3.34Å; P775-V785 WeakPolarHBondContact CD-O 3.29Å; P775-V785 HydrophobicContact CG-CG2 3.86Å; R783-V785 HydrophobicContact CB-CG2 4.34Å; R783-V785 PolarHBondContact O-N 3.16Å; V785-Q809 HydrophobicContact CB-CG 4Å; V785-Q809 HydrophobicContact CG1-CG 4.12Å; V785-M810 WeakPolarHBondContact CA-O 3.44Å
786	V	89.1	Confident	72.2	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.7	172.9	179.4	0	0	0	0	108.4	Y772 L774 M810 L812 F815	Y772-V786 HydrophobicContact CD1-CG1 4.24Å; L774-V786 HydrophobicContact CD2-CG2 3.82Å; V786-M810 HydrophobicContact CB-CG 3.87Å; V786-M810 HydrophobicContact CG1-CG 4.49Å; V786-M810 PolarHBondContact N-O 2.95Å; V786-M810 PolarHBondContact O-N 2.97Å; V786-L812 HydrophobicContact CG2-CB 4.39Å; V786-L812 HydrophobicContact CG2-CD1 3.7Å; V786-F815 HydrophobicContact CG1-CD1 4.49Å; V786-F815 HydrophobicContact CG1-CD2 4.44Å; V786-F815 HydrophobicContact CG1-CE1 4.5Å; V786-F815 HydrophobicContact CG1-CE2 4.46Å; V786-F815 HydrophobicContact CG1-CG 4.45Å; V786-F815 HydrophobicContact CG1-CZ 4.48Å; V786-F815 HydrophobicContact CG2-CB 4.11Å; V786-F815 HydrophobicContact CG2-CD1 3.91Å; V786-F815 HydrophobicContact CG2-CG 4.06Å
787	L	90.6	Very high	72	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.063	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.5	171.8	-59.4	-179.9	0	0	0	109.2	Y716 F740 Y772 S773 P775 Q809	Y716-L787 HydrophobicContact CE1-CD2 4.38Å; F740-L787 HydrophobicContact CD2-CD2 4.35Å; F740-L787 HydrophobicContact CE1-CD2 3.94Å; F740-L787 HydrophobicContact CE2-CD1 3.68Å; F740-L787 HydrophobicContact CE2-CD2 3.74Å; F740-L787 HydrophobicContact CE2-CG 4.38Å; F740-L787 HydrophobicContact CZ-CD1 4.07Å; F740-L787 HydrophobicContact CZ-CD2 3.52Å; F740-L787 HydrophobicContact CZ-CG 4.45Å; Y772-L787 WeakPolarHBondContact CA-O 3.42Å; S773-L787 PolarHBondContact N-O 3.2Å; S773-L787 PolarHBondContact O-N 3.04Å; P775-L787 HydrophobicContact CB-CD1 4.34Å; L787-Q809 HydrophobicContact CD2-CB 4.11Å; L787-Q809 HydrophobicContact CD2-CG 4.21Å
788	A	93.3	Very high	72	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.5	175.1	0	0	0	0	0	110.3	I771 Y772 G807 I808 M810	I771-A788 CarbonylContact O-C 3.6Å; I771-A788 VanDerWaalsContact O-CA 3.26Å; I771-A788 WeakPolarHBondContact O-CA 3.48Å; Y772-A788 HydrophobicContact CD1-CB 3.62Å; Y772-A788 HydrophobicContact CE1-CB 3.49Å; Y772-A788 VanDerWaalsContact CE1-CB 3.49Å; A788-G807 CarbonylContact O-C 3.57Å; A788-G807 WeakPolarHBondContact O-CA 3.07Å; A788-I808 HydrophobicContact CB-CG1 3.94Å; A788-I808 PolarHBondContact N-O 3.06Å; A788-I808 PolarHBondContact O-N 2.73Å; A788-M810 HydrophobicContact CB-CE 3.8Å
789	S	94.2	Very high	73	Confident	5 Å²	5	64.8 Å²	64.8	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150	-175.2	-77.7	0	0	0	0	113.1	Y716 F770 I771	Y716-S789 WeakPolarHBondContact CE2-OG 3.35Å; Y716-S789 PolarHBondContact OH-OG 3.39Å; Y716-S789 VanDerWaalsContact OH-OG 3.06Å; F770-S789 WeakPolarHBondContact CA-O 3.25Å; I771-S789 PolarHBondContact N-O 3.05Å; I771-S789 PolarHBondContact O-N 3.37Å
790	T	94.2	Very high	74.2	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.2	174	-164	0	0	0	0	111.4	T769 F770 A805 V806	T769-T790 WeakPolarHBondContact O-CB 3.35Å; T769-T790 PolarHBondContact O-OG1 3.39Å; F770-T790 HydrophobicContact CD1-CG2 4.11Å; F770-T790 HydrophobicContact CE1-CG2 3.54Å; F770-T790 HydrophobicContact CE2-CG2 4.4Å; F770-T790 HydrophobicContact CZ-CG2 3.72Å; T790-A805 WeakPolarHBondContact O-CA 3.06Å; T790-V806 HydrophobicContact CG2-CG1 4Å; T790-V806 PolarHBondContact N-O 2.85Å; T790-V806 PolarHBondContact O-N 3.16Å
791	A	92.4	Very high	76	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.2	176.4	0	0	0	0	0	112.2	A762 I802	A762-A791 HydrophobicContact CB-CB 4.43Å; A762-A791 VanDerWaalsContact O-CB 3.26Å; A762-A791 WeakPolarHBondContact O-CB 3.21Å; A791-I802 HydrophobicContact CB-CD1 4.03Å; A791-I802 HydrophobicContact CB-CG2 4.03Å
792	I	90.6	Very high	77.8	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.8	178	-53.7	-57.6	0	0	0	109.4	L67 Q68 Y71 A803 A804 V806	L67-I792 HydrophobicContact CD2-CG1 3.88Å; L67-I792 HydrophobicContact CG-CG1 4.29Å; Q68-I792 HydrophobicContact CB-CD1 4.38Å; Q68-I792 HydrophobicContact CB-CG2 4.35Å; Y71-I792 HydrophobicContact CD2-CG2 3.83Å; Y71-I792 HydrophobicContact CE2-CG2 4.43Å; I792-A803 PolarHBondContact O-N 3.31Å; I792-A804 WeakPolarHBondContact CB-O 3.39Å; I792-A804 PolarHBondContact N-O 3.03Å; I792-V806 HydrophobicContact CD1-CG1 4.15Å; I792-V806 HydrophobicContact CG1-CG1 4.33Å
793	Q	85.1	Confident	79.4	Confident	45 Å²	45	41.9 Å²	41.9	21%	0.21	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.1	-177.4	-169.1	175.5	31.4	0	0	109.8	Q68 P767 L795 S800	Q68-Q793 PolarHBondContact NE2-O 2.88Å; Q68-Q793 PolarHBondContact OE1-O 2.89Å; P767-Q793 HydrophobicContact CB-CB 4.09Å; P767-Q793 HydrophobicContact CG-CB 3.97Å; Q793-L795 WeakPolarHBondContact CG-O 3.39Å; Q793-S800 VanDerWaalsContact CG-CB 3.48Å; Q793-S800 WeakPolarHBondContact CG-OG 3.3Å
794	L	76.4	Confident	80.9	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	-71.3	-49	-175.4	-175.8	66.8	0	0	0	112.9	Y71 V78 V80 F618 S800	Y71-L794 HydrophobicContact CD1-CD1 4.16Å; Y71-L794 WeakPolarHBondContact O-CD1 3.35Å; V78-L794 HydrophobicContact CB-CD2 4.3Å; V78-L794 HydrophobicContact CG1-CD2 3.63Å; V80-L794 HydrophobicContact CG2-CD2 4.27Å; F618-L794 HydrophobicContact CB-CD2 3.9Å; F618-L794 HydrophobicContact CD2-CD2 4.42Å; F618-L794 HydrophobicContact CG-CD2 4.1Å; L794-S800 PolarHBondContact N-OG 3.4Å; L794-S800 VanDerWaalsContact N-OG 3.13Å
795	L	71.8	Confident	81.9	Confident	38 Å²	38	36.3 Å²	36.3	20%	0.199	17%	0.165	C	C	.	.	S	Bend	trans	-118	150.5	-177.8	-41.1	169.2	0	0	0	110.5	E75 V80 Q793 E797 S800	E75-L795 HydrophobicContact CG-CD2 3.62Å; E75-L795 WeakPolarHBondContact OE1-CD2 3.43Å; V80-L795 HydrophobicContact CG2-CD1 4.04Å; Q793-L795 WeakPolarHBondContact CG-O 3.39Å; L795-E797 PolarHBondContact O-N 3.27Å; L795-S800 PolarHBondContact N-OG 2.87Å; L795-S800 WeakPolarHBondContact O-CB 3.35Å
796	D	64.5	Low	82.4	Confident	136 Å²	136	36.3 Å²	36.3	73%	0.727	17%	0.165	S	C	*	.	S	Bend	trans	-76.1	2.2	176.7	-61.5	-45.6	0	0	0	113.5	K72	K72-D796 IonicContact NZ-OD1 3.71Å; K72-D796 PolarHBondContact NZ-OD1 2.98Å; K72-D796 IonicContact NZ-OD2 3.19Å; K72-D796 PolarHBondContact NZ-OD2 2.98Å
797	E	62.8	Low	82.6	Confident	136 Å²	136	36.3 Å²	36.3	64%	0.636	17%	0.165	S	C	*	.	S	Bend	trans	-88.7	153.8	178.3	-71.5	-157.2	172.9	0	0	114	L795 K799 S800	L795-E797 PolarHBondContact O-N 3.27Å; E797-K799 PolarHBondContact O-N 2.97Å; E797-S800 PolarHBondContact O-N 3.32Å
798	R	57.2	Low	82.7	Confident	252 Å²	252	35.7 Å²	35.7	95%	0.951	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-5.2	174.7	-67.5	-171.3	-178.7	-169	0.7	115.6
799	K	64.2	Low	82.6	Confident	116 Å²	116	35.7 Å²	35.7	50%	0.504	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	3.5	177.2	-64.6	-165.9	174	-169.7	0	113.8	Y616 E797	Y616-K799 WeakPolarHBondContact CD2-O 3.37Å; Y616-K799 HydrophobicContact CE1-CB 4.33Å; Y616-K799 HydrophobicContact CE1-CD 4.34Å; Y616-K799 HydrophobicContact CE1-CG 4.45Å; Y616-K799 HydrophobicContact CE2-CB 4.13Å; Y616-K799 HydrophobicContact CE2-CG 4.28Å; E797-K799 PolarHBondContact O-N 2.97Å
800	S	69.2	Low	82.4	Confident	7 Å²	7	35.5 Å²	35.5	5%	0.049	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-73.5	132.2	178.7	-173.3	0	0	0	0	112.1	Q793 L794 L795 E797	Q793-S800 VanDerWaalsContact CG-CB 3.48Å; Q793-S800 WeakPolarHBondContact CG-OG 3.3Å; L794-S800 PolarHBondContact N-OG 3.4Å; L794-S800 VanDerWaalsContact N-OG 3.13Å; L795-S800 PolarHBondContact N-OG 2.87Å; L795-S800 WeakPolarHBondContact O-CB 3.35Å; E797-S800 PolarHBondContact O-N 3.32Å
801	P	80.9	Confident	82.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-66	162.9	160.9	30.3	-33.7	0	0	0	111.3	F618	F618-P801 HydrophobicContact CB-CG 3.98Å; F618-P801 HydrophobicContact CD1-CB 4.21Å; F618-P801 HydrophobicContact CD1-CG 3.67Å; F618-P801 HydrophobicContact CG-CG 4.28Å
802	I	86.8	Confident	81.8	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.8	163.7	-64.3	179.1	0	0	0	108.1	I509 H613 Y759 A763 A791	I509-I802 HydrophobicContact CD1-CB 3.87Å; I509-I802 HydrophobicContact CD1-CD1 4.21Å; I509-I802 HydrophobicContact CD1-CG2 3.94Å; H613-I802 VanDerWaalsContact ND1-CD1 3.29Å; H613-I802 WeakPolarHBondContact ND1-CD1 3.42Å; Y759-I802 HydrophobicContact CE2-CG2 4.06Å; A763-I802 HydrophobicContact CB-CD1 3.65Å; A763-I802 WeakPolarHBondContact O-CD1 3.44Å; A791-I802 HydrophobicContact CB-CD1 4.03Å; A791-I802 HydrophobicContact CB-CG2 4.03Å
803	A	87.1	Confident	81.7	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-49.8	-178.1	0	0	0	0	0	112.5	Y71 F618 R720 Y759 I792	Y71-A803 HydrophobicContact CD1-CB 3.91Å; Y71-A803 HydrophobicContact CD2-CB 4.36Å; Y71-A803 HydrophobicContact CE1-CB 3.62Å; Y71-A803 HydrophobicContact CE2-CB 4.07Å; Y71-A803 HydrophobicContact CG-CB 4.28Å; F618-A803 HydrophobicContact CE1-CB 3.8Å; F618-A803 HydrophobicContact CZ-CB 3.77Å; R720-A803 PolarHBondContact N-O 2.73Å; R720-A803 VanDerWaalsContact N-O 3.16Å; Y759-A803 PolarHBondContact OH-O 2.84Å; I792-A803 PolarHBondContact O-N 3.31Å
804	A	91	Very high	81.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.5	-178.7	0	0	0	0	0	110.6	L67 Y71 G718 T719 Y759 I792	L67-A804 HydrophobicContact CD2-CB 4.26Å; Y71-A804 HydrophobicContact CE2-CB 4.18Å; G718-A804 CarbonylContact O-C 3.57Å; G718-A804 WeakPolarHBondContact O-CA 3.4Å; T719-A804 HydrophobicContact CG2-CB 4.41Å; Y759-A804 WeakPolarHBondContact OH-CA 3.36Å; I792-A804 WeakPolarHBondContact CB-O 3.39Å; I792-A804 PolarHBondContact N-O 3.03Å
805	A	93.6	Very high	82.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143	161.3	0	0	0	0	0	109.1	G718 W758 Y759 A762 T790	G718-A805 PolarHBondContact N-O 3.36Å; G718-A805 PolarHBondContact O-N 3.45Å; W758-A805 HydrophobicContact CE3-CB 4.26Å; W758-A805 HydrophobicContact CZ3-CB 3.68Å; Y759-A805 HydrophobicContact CD1-CB 3.98Å; Y759-A805 HydrophobicContact CD2-CB 3.49Å; Y759-A805 VanDerWaalsContact CD2-CB 3.49Å; Y759-A805 HydrophobicContact CE1-CB 4.24Å; Y759-A805 HydrophobicContact CE2-CB 3.75Å; Y759-A805 HydrophobicContact CG-CB 3.6Å; A762-A805 HydrophobicContact CB-CB 4.32Å; T790-A805 WeakPolarHBondContact O-CA 3.06Å
806	V	94.6	Very high	83.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.6	-179.1	69.9	0	0	0	0	109.5	S62 L67 W697 Y716 L717 T790 I792	S62-V806 VanDerWaalsContact O-CG2 3.27Å; S62-V806 WeakPolarHBondContact O-CG2 3.37Å; L67-V806 HydrophobicContact CD2-CB 4.39Å; W697-V806 HydrophobicContact CZ2-CG2 4.46Å; Y716-V806 WeakPolarHBondContact O-CA 3.38Å; Y716-V806 WeakPolarHBondContact O-CG2 3.48Å; L717-V806 HydrophobicContact CB-CG2 4.25Å; T790-V806 HydrophobicContact CG2-CG1 4Å; T790-V806 PolarHBondContact N-O 2.85Å; T790-V806 PolarHBondContact O-N 3.16Å; I792-V806 HydrophobicContact CD1-CG1 4.15Å; I792-V806 HydrophobicContact CG1-CG1 4.33Å
807	G	93.9	Very high	84.7	Confident	0 Å²	0	43 Å²	43	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	179.3	-175.7	0	0	0	0	0	114	Y716 A788	Y716-G807 PolarHBondContact N-O 3.13Å; Y716-G807 PolarHBondContact O-N 2.84Å; A788-G807 CarbonylContact O-C 3.57Å; A788-G807 WeakPolarHBondContact O-CA 3.07Å
808	I	93.1	Very high	86	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.5	176.7	59.8	170.5	0	0	0	111.4	V712 I714 A715 Y716 A788 M810	V712-I808 HydrophobicContact CG1-CB 3.93Å; V712-I808 HydrophobicContact CG1-CD1 3.97Å; V712-I808 HydrophobicContact CG1-CG1 4.49Å; V712-I808 HydrophobicContact CG1-CG2 4.17Å; V712-I808 HydrophobicContact CG2-CD1 4.01Å; I714-I808 CarbonylContact O-C 3.59Å; I714-I808 WeakPolarHBondContact O-CA 2.93Å; I714-I808 WeakPolarHBondContact O-CB 2.98Å; A715-I808 HydrophobicContact CB-CG2 4.17Å; Y716-I808 PolarHBondContact OH-O 3.3Å; A788-I808 HydrophobicContact CB-CG1 3.94Å; A788-I808 PolarHBondContact N-O 3.06Å; A788-I808 PolarHBondContact O-N 2.73Å; I808-M810 HydrophobicContact CD1-CE 3.6Å; I808-M810 HydrophobicContact CG1-CE 3.99Å
809	Q	90.4	Very high	87.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.1	164.2	-178.4	173.5	-67.7	0	0	108.9	E713 I714 F740 V785 L787	E713-Q809 PolarHBondContact N-O 2.77Å; E713-Q809 PolarHBondContact OE2-NE2 2.97Å; I714-Q809 HydrophobicContact CB-CB 4.02Å; I714-Q809 HydrophobicContact CG1-CB 4.35Å; I714-Q809 PolarHBondContact O-N 3.05Å; F740-Q809 VanDerWaalsContact CG-OE1 3.26Å; V785-Q809 HydrophobicContact CB-CG 4Å; V785-Q809 HydrophobicContact CG1-CG 4.12Å; L787-Q809 HydrophobicContact CD2-CB 4.11Å; L787-Q809 HydrophobicContact CD2-CG 4.21Å
810	M	89.6	Confident	88.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154	174.5	70.9	-173.8	75.4	0	0	112	M54 G711 V712 Y772 V785 V786 A788 I808 F815	M54-M810 HydrophobicContact CE-CE 3.82Å; M54-M810 HydrophobicContact CE-SD 3.6Å; M54-M810 VanDerWaalsContact CE-SD 3.6Å; G711-M810 CarbonylContact O-C 3.59Å; G711-M810 WeakPolarHBondContact O-CA 3.45Å; G711-M810 WeakPolarHBondContact O-CB 3.48Å; V712-M810 HydrophobicContact CG2-CB 4.42Å; Y772-M810 HydrophobicContact CE1-CE 4.23Å; V785-M810 WeakPolarHBondContact CA-O 3.44Å; V786-M810 HydrophobicContact CB-CG 3.87Å; V786-M810 HydrophobicContact CG1-CG 4.49Å; V786-M810 PolarHBondContact N-O 2.95Å; V786-M810 PolarHBondContact O-N 2.97Å; A788-M810 HydrophobicContact CB-CE 3.8Å; I808-M810 HydrophobicContact CD1-CE 3.6Å; I808-M810 HydrophobicContact CG1-CE 3.99Å; M810-F815 HydrophobicContact SD-CB 4.19Å; M810-F815 HydrophobicContact SD-CD2 3.73Å; M810-F815 HydrophobicContact SD-CG 4.35Å
811	K	88.1	Confident	89.8	Confident	59 Å²	59	24.6 Å²	24.6	26%	0.257	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.5	175.4	-61.3	-171.3	175.2	-167.2	0	110.7	G711 E713 T736 E813 F814 F815	G711-K811 PolarHBondContact O-N 3.43Å; E713-K811 HydrophobicContact CG-CG 4.22Å; E713-K811 WeakPolarHBondContact OE1-CE 3.16Å; E713-K811 IonicContact OE1-NZ 3.34Å; T736-K811 HydrophobicContact CG2-CD 4.02Å; T736-K811 HydrophobicContact CG2-CG 4.2Å; K811-E813 VanDerWaalsContact C-N 3.32Å; K811-E813 PolarHBondContact O-N 3.05Å; K811-F814 HydrophobicContact CB-CB 4.29Å; K811-F814 WeakPolarHBondContact O-CB 3.39Å; K811-F814 PolarHBondContact O-N 3.42Å; K811-F814 VanDerWaalsContact O-N 3.1Å; K811-F815 PolarHBondContact O-N 2.72Å
812	L	87.9	Confident	90.1	Very high	21 Å²	21	24.7 Å²	24.7	11%	0.11	11%	0.112	C	C	.	.	H	α-helix	trans	-58.7	-42.6	178.3	175.9	59.1	0	0	0	111.8	L774 S784 V786 F814 F815 Q816 T862	L774-L812 HydrophobicContact CD2-CD1 4.1Å; S784-L812 VanDerWaalsContact C-CB 3.43Å; S784-L812 WeakPolarHBondContact O-CB 3.36Å; S784-L812 PolarHBondContact O-N 2.99Å; V786-L812 HydrophobicContact CG2-CB 4.39Å; V786-L812 HydrophobicContact CG2-CD1 3.7Å; L812-F814 VanDerWaalsContact C-N 3.26Å; L812-F814 PolarHBondContact O-N 3.17Å; L812-F815 WeakPolarHBondContact O-CB 3.49Å; L812-F815 PolarHBondContact O-N 3.18Å; L812-F815 VanDerWaalsContact O-N 3.13Å; L812-Q816 HydrophobicContact CD1-CG 4.01Å; L812-Q816 HydrophobicContact CG-CG 4.31Å; L812-Q816 WeakPolarHBondContact O-CB 3.46Å; L812-Q816 WeakPolarHBondContact O-CG 3.38Å; L812-Q816 PolarHBondContact O-N 2.81Å; L812-Q816 PolarHBondContact O-OE1 3.42Å; L812-T862 HydrophobicContact CD2-CG2 4.1Å
813	E	88.1	Confident	90	Very high	147 Å²	147	24.4 Å²	24.4	69%	0.687	11%	0.111	S	C	*	.	H	α-helix	trans	-56.4	-39.1	175.2	-62.2	-179.9	175.2	0	0	112.7	K811 R817	K811-E813 VanDerWaalsContact C-N 3.32Å; K811-E813 PolarHBondContact O-N 3.05Å; E813-R817 VanDerWaalsContact O-CB 3.22Å; E813-R817 WeakPolarHBondContact O-CB 3.2Å; E813-R817 PolarHBondContact O-N 3.04Å
814	F	89.5	Confident	89.8	Confident	9 Å²	9	30.7 Å²	30.7	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-45.6	178.1	173.2	-93.3	0	0	0	110.8	I57 D709 G711 K811 L812 R817 K818	I57-F814 HydrophobicContact CD1-CE1 4.21Å; I57-F814 HydrophobicContact CD1-CZ 4.05Å; I57-F814 HydrophobicContact CG2-CE1 4.49Å; D709-F814 HydrophobicContact CB-CE2 3.92Å; D709-F814 HydrophobicContact CB-CZ 3.78Å; D709-F814 WeakPolarHBondContact OD1-CE2 3.1Å; D709-F814 WeakPolarHBondContact OD1-CZ 3.45Å; G711-F814 VanDerWaalsContact CA-CD2 3.49Å; G711-F814 VanDerWaalsContact CA-CG 3.42Å; K811-F814 HydrophobicContact CB-CB 4.29Å; K811-F814 WeakPolarHBondContact O-CB 3.39Å; K811-F814 PolarHBondContact O-N 3.42Å; K811-F814 VanDerWaalsContact O-N 3.1Å; L812-F814 VanDerWaalsContact C-N 3.26Å; L812-F814 PolarHBondContact O-N 3.17Å; F814-R817 PolarHBondContact O-N 3.27Å; F814-K818 HydrophobicContact CE1-CG 4.18Å; F814-K818 HydrophobicContact CZ-CD 4.44Å; F814-K818 HydrophobicContact CZ-CG 4.23Å; F814-K818 WeakPolarHBondContact O-CG 3.38Å; F814-K818 PolarHBondContact O-N 3.37Å; F814-K818 VanDerWaalsContact O-N 3.1Å
815	F	90.6	Very high	89.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-47.2	178.1	-173.6	-107.8	0	0	0	111.8	F50 M54 Y772 V786 M810 K811 L812 K818 F819 L846 L854 V855 L997	F50-F815 HydrophobicContact CE1-CE2 4.33Å; F50-F815 HydrophobicContact CE1-CZ 4.16Å; F50-F815 HydrophobicContact CZ-CD2 4.22Å; F50-F815 HydrophobicContact CZ-CE1 4.22Å; F50-F815 AromaticContact CZ-CE2 3.67Å; F50-F815 HydrophobicContact CZ-CE2 3.67Å; F50-F815 AromaticContact CZ-CZ 3.68Å; F50-F815 HydrophobicContact CZ-CZ 3.68Å; M54-F815 HydrophobicContact CE-CD2 3.67Å; M54-F815 HydrophobicContact CE-CE2 3.9Å; M54-F815 HydrophobicContact CG-CD2 4.48Å; M54-F815 HydrophobicContact CG-CE2 4.18Å; M54-F815 HydrophobicContact SD-CD2 3.97Å; M54-F815 HydrophobicContact SD-CE2 4.25Å; Y772-F815 AromaticContact CD1-CE2 3.66Å; Y772-F815 HydrophobicContact CD1-CE2 3.66Å; Y772-F815 HydrophobicContact CD1-CZ 4.09Å; Y772-F815 HydrophobicContact CE1-CE2 4.03Å; Y772-F815 HydrophobicContact CG-CE2 4.26Å; Y772-F815 HydrophobicContact CG-CZ 4.27Å; V786-F815 HydrophobicContact CG1-CD1 4.49Å; V786-F815 HydrophobicContact CG1-CD2 4.44Å; V786-F815 HydrophobicContact CG1-CE1 4.5Å; V786-F815 HydrophobicContact CG1-CE2 4.46Å; V786-F815 HydrophobicContact CG1-CG 4.45Å; V786-F815 HydrophobicContact CG1-CZ 4.48Å; V786-F815 HydrophobicContact CG2-CB 4.11Å; V786-F815 HydrophobicContact CG2-CD1 3.91Å; V786-F815 HydrophobicContact CG2-CG 4.06Å; M810-F815 HydrophobicContact SD-CB 4.19Å; M810-F815 HydrophobicContact SD-CD2 3.73Å; M810-F815 HydrophobicContact SD-CG 4.35Å; K811-F815 PolarHBondContact O-N 2.72Å; L812-F815 WeakPolarHBondContact O-CB 3.49Å; L812-F815 PolarHBondContact O-N 3.18Å; L812-F815 VanDerWaalsContact O-N 3.13Å; F815-K818 PolarHBondContact O-N 2.68Å; F815-F819 PolarHBondContact O-N 3.37Å; F815-F819 VanDerWaalsContact O-N 3.07Å; F815-L846 HydrophobicContact CE1-CD2 3.6Å; F815-L846 HydrophobicContact CZ-CD2 3.91Å; F815-L854 HydrophobicContact CE1-CB 4.35Å; F815-L854 HydrophobicContact CE1-CD2 4Å; F815-L854 HydrophobicContact CZ-CD2 4.34Å; F815-V855 HydrophobicContact CD1-CG2 4.08Å; F815-V855 HydrophobicContact CE1-CG2 4.19Å; F815-L997 HydrophobicContact CZ-CD1 3.93Å
816	Q	90.3	Very high	88.1	Confident	7 Å²	7	37 Å²	37	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-47.7	174.6	-73.3	166.9	-27.8	0	0	111.7	L812 K818 F819 W820 V855	L812-Q816 HydrophobicContact CD1-CG 4.01Å; L812-Q816 HydrophobicContact CG-CG 4.31Å; L812-Q816 WeakPolarHBondContact O-CB 3.46Å; L812-Q816 WeakPolarHBondContact O-CG 3.38Å; L812-Q816 PolarHBondContact O-N 2.81Å; L812-Q816 PolarHBondContact O-OE1 3.42Å; Q816-K818 VanDerWaalsContact C-N 3.29Å; Q816-K818 PolarHBondContact O-N 3.09Å; Q816-F819 WeakPolarHBondContact O-CA 3.29Å; Q816-F819 WeakPolarHBondContact O-CB 3.43Å; Q816-F819 PolarHBondContact O-N 3.01Å; Q816-W820 PolarHBondContact O-N 3.07Å; Q816-V855 HydrophobicContact CB-CG1 4.41Å; Q816-V855 HydrophobicContact CG-CB 4.34Å; Q816-V855 HydrophobicContact CG-CG1 3.95Å; Q816-V855 HydrophobicContact CG-CG2 3.71Å
817	R	89.8	Confident	86.3	Confident	142 Å²	142	41.3 Å²	41.3	54%	0.536	20%	0.204	S	C	.	.	H	α-helix	trans	-59.3	-37.5	178.1	-174.6	-179.2	67	-173.2	2.3	112.7	E813 F814 T821	E813-R817 VanDerWaalsContact O-CB 3.22Å; E813-R817 WeakPolarHBondContact O-CB 3.2Å; E813-R817 PolarHBondContact O-N 3.04Å; F814-R817 PolarHBondContact O-N 3.27Å; R817-T821 WeakPolarHBondContact O-CB 3.41Å; R817-T821 PolarHBondContact O-N 3.18Å; R817-T821 PolarHBondContact O-OG1 2.72Å
818	K	90.5	Very high	84.4	Confident	24 Å²	24	43.6 Å²	43.6	10%	0.104	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-41.4	174.1	-67.3	-69.9	-167.2	171.4	0	111.3	F50 E53 M54 D709 F814 F815 Q816 T821 A822	F50-K818 HydrophobicContact CE2-CB 4.19Å; E53-K818 WeakPolarHBondContact OE1-CD 3.46Å; E53-K818 WeakPolarHBondContact OE1-CE 3.15Å; E53-K818 IonicContact OE1-NZ 3.3Å; E53-K818 PolarHBondContact OE1-NZ 3.29Å; M54-K818 HydrophobicContact SD-CB 4.14Å; M54-K818 HydrophobicContact SD-CG 4.29Å; D709-K818 VanDerWaalsContact OD1-CE 3.28Å; D709-K818 WeakPolarHBondContact OD1-CE 3.38Å; D709-K818 IonicContact OD1-NZ 3.13Å; D709-K818 PolarHBondContact OD1-NZ 3.07Å; F814-K818 HydrophobicContact CE1-CG 4.18Å; F814-K818 HydrophobicContact CZ-CD 4.44Å; F814-K818 HydrophobicContact CZ-CG 4.23Å; F814-K818 WeakPolarHBondContact O-CG 3.38Å; F814-K818 PolarHBondContact O-N 3.37Å; F814-K818 VanDerWaalsContact O-N 3.1Å; F815-K818 PolarHBondContact O-N 2.68Å; Q816-K818 VanDerWaalsContact C-N 3.29Å; Q816-K818 PolarHBondContact O-N 3.09Å; K818-T821 PolarHBondContact O-N 3.2Å; K818-A822 PolarHBondContact O-N 3.18Å
819	F	91.2	Very high	82.4	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-52.9	174.6	177.8	-99.9	0	0	0	111.9	F50 F815 Q816 T821 A822 S823 L846 V855 M999	F50-F819 HydrophobicContact CD2-CB 4.06Å; F50-F819 HydrophobicContact CD2-CD2 4.38Å; F50-F819 HydrophobicContact CE2-CB 3.65Å; F50-F819 HydrophobicContact CE2-CD2 4.38Å; F50-F819 HydrophobicContact CG-CD2 4.47Å; F50-F819 HydrophobicContact CZ-CB 4.19Å; F50-F819 HydrophobicContact CZ-CD2 4.45Å; F815-F819 PolarHBondContact O-N 3.37Å; F815-F819 VanDerWaalsContact O-N 3.07Å; Q816-F819 WeakPolarHBondContact O-CA 3.29Å; Q816-F819 WeakPolarHBondContact O-CB 3.43Å; Q816-F819 PolarHBondContact O-N 3.01Å; F819-T821 PolarHBondContact O-N 3.3Å; F819-A822 PolarHBondContact O-N 3.24Å; F819-S823 PolarHBondContact O-N 3.18Å; F819-S823 PolarHBondContact O-OG 3.28Å; F819-L846 HydrophobicContact CD2-CB 4.27Å; F819-L846 HydrophobicContact CD2-CD1 4.24Å; F819-L846 HydrophobicContact CD2-CD2 3.98Å; F819-L846 HydrophobicContact CD2-CG 4.41Å; F819-L846 HydrophobicContact CE2-CB 3.94Å; F819-L846 HydrophobicContact CE2-CD1 3.97Å; F819-L846 HydrophobicContact CE2-CD2 4.4Å; F819-L846 HydrophobicContact CE2-CG 4.33Å; F819-L846 HydrophobicContact CZ-CB 4.21Å; F819-V855 HydrophobicContact CD1-CB 4.2Å; F819-V855 HydrophobicContact CD1-CG1 3.59Å; F819-V855 HydrophobicContact CE1-CB 4.49Å; F819-V855 HydrophobicContact CE1-CG1 4.02Å; F819-V855 HydrophobicContact CG-CG1 4.25Å; F819-M999 HydrophobicContact CE2-CE 3.97Å; F819-M999 HydrophobicContact CE2-CG 4.15Å; F819-M999 HydrophobicContact CE2-SD 4.29Å; F819-M999 HydrophobicContact CZ-CE 3.84Å; F819-M999 HydrophobicContact CZ-CG 4.35Å
820	W	89.8	Confident	80.4	Confident	29 Å²	29	59.7 Å²	59.7	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-23.9	177.9	-60.6	122.2	0	0	0	113.8	Q816 S823 R824 C837 C844 V855 E857	Q816-W820 PolarHBondContact O-N 3.07Å; W820-S823 WeakPolarHBondContact CA-OG 3.35Å; W820-S823 PolarHBondContact O-OG 2.83Å; W820-R824 WeakPolarHBondContact O-CD 3.11Å; W820-R824 WeakPolarHBondContact O-CG 3.29Å; W820-C837 HydrophobicContact CE3-CB 4.31Å; W820-C837 HydrophobicContact CZ3-CB 3.94Å; W820-C844 HydrophobicContact CZ3-CB 4.33Å; W820-V855 HydrophobicContact CZ2-CG1 3.79Å; W820-E857 HydrophobicContact CH2-CB 4.11Å; W820-E857 HydrophobicContact CZ2-CB 4.45Å
821	T	89	Confident	78.8	Confident	69 Å²	69	62.9 Å²	62.9	42%	0.423	34%	0.342	S	S	.	.	H	α-helix	trans	-76.4	-37.6	173.2	-56.6	0	0	0	0	111.4	R817 K818 F819	R817-T821 WeakPolarHBondContact O-CB 3.41Å; R817-T821 PolarHBondContact O-N 3.18Å; R817-T821 PolarHBondContact O-OG1 2.72Å; K818-T821 PolarHBondContact O-N 3.2Å; F819-T821 PolarHBondContact O-N 3.3Å
822	A	87.3	Confident	77.1	Confident	2 Å²	2	68.8 Å²	68.8	2%	0.017	37%	0.367	C	S	.	.	H	α-helix	trans	-71.5	-37.6	177.3	0	0	0	0	0	112.7	W46 A49 F50 K818 F819 R824 Q825	W46-A822 VanDerWaalsContact CD1-O 3.23Å; A49-A822 HydrophobicContact CB-CB 4.41Å; F50-A822 HydrophobicContact CB-CB 3.7Å; F50-A822 HydrophobicContact CD2-CB 4.35Å; K818-A822 PolarHBondContact O-N 3.18Å; F819-A822 PolarHBondContact O-N 3.24Å; A822-R824 PolarHBondContact O-N 3.38Å; A822-Q825 WeakPolarHBondContact O-CB 3.42Å; A822-Q825 PolarHBondContact O-N 3.08Å; A822-Q825 VanDerWaalsContact O-N 3.16Å
823	S	85.2	Confident	75.9	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.007	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.6	177.6	62.2	0	0	0	0	114.8	W46 F819 W820 C837	W46-S823 WeakPolarHBondContact CZ2-O 3.49Å; W46-S823 PolarHBondContact NE1-O 3.15Å; F819-S823 PolarHBondContact O-N 3.18Å; F819-S823 PolarHBondContact O-OG 3.28Å; W820-S823 WeakPolarHBondContact CA-OG 3.35Å; W820-S823 PolarHBondContact O-OG 2.83Å; S823-C837 VanDerWaalsContact CB-SG 3.6Å
824	R	82.6	Confident	74.7	Confident	132 Å²	132	66.7 Å²	66.7	50%	0.498	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-3.6	173.7	-71.3	171.4	-178.4	149.6	4.7	113.5	W820 A822 D838	W820-R824 WeakPolarHBondContact O-CD 3.11Å; W820-R824 WeakPolarHBondContact O-CG 3.29Å; A822-R824 PolarHBondContact O-N 3.38Å; R824-D838 VanDerWaalsContact CG-OD2 3.3Å; R824-D838 WeakPolarHBondContact CG-OD2 3.03Å; R824-D838 IonicContact CZ-OD1 2.7Å; R824-D838 IonicContact CZ-OD2 3.55Å; R824-D838 IonicContact NE-OD1 3.8Å; R824-D838 PolarHBondContact NE-OD1 2.95Å; R824-D838 VanDerWaalsContact NE-OD1 3.17Å; R824-D838 IonicContact NE-OD2 3.82Å; R824-D838 PolarHBondContact NE-OD2 3.11Å; R824-D838 IonicContact NH2-OD1 3.53Å; R824-D838 PolarHBondContact NH2-OD1 3.36Å; R824-D838 IonicContact NH2-OD2 2.64Å
825	Q	76.8	Confident	73.9	Confident	85 Å²	85	67 Å²	67	40%	0.397	37%	0.372	S	S	.	.			trans	-78.5	131.6	-178.3	-63.8	-171.9	7.4	0	0	111.6	W46 A49 A822	W46-Q825 VanDerWaalsContact CD1-O 3.29Å; W46-Q825 PolarHBondContact NE1-O 3.16Å; A49-Q825 VanDerWaalsContact CB-OE1 3.24Å; A822-Q825 WeakPolarHBondContact O-CB 3.42Å; A822-Q825 PolarHBondContact O-N 3.08Å; A822-Q825 VanDerWaalsContact O-N 3.16Å
826	C	71.6	Confident	73.4	Confident	46 Å²	46	67.7 Å²	67.7	31%	0.311	38%	0.377	S	S	.	.			trans	-130.9	139.2	-175.2	-62.2	0	0	0	0	111.7	A828 C833	C826-A828 VanDerWaalsContact C-N 3.25Å; C826-A828 PolarHBondContact O-N 3.05Å; C826-C833 HydrophobicContact CB-CB 4.08Å; C826-C833 WeakPolarHBondContact CB-SG 3.23Å; C826-C833 WeakPolarHBondContact SG-CB 3.39Å; C826-C833 CovalentContact SG-SG 2.03Å; C826-C833 PolarHBondContact SG-SG 3.15Å
827	A	57.1	Low	73	Confident	91 Å²	91	67.5 Å²	67.5	75%	0.752	38%	0.377	S	S	*	.			trans	-79.9	2.9	-177.4	0	0	0	0	0	114.7	L45	L45-A827 HydrophobicContact CD2-CB 4.13Å
828	A	54.9	Low	72.5	Confident	49 Å²	49	64.7 Å²	64.7	41%	0.405	37%	0.372	S	S	.	.			trans	-86.1	122.6	-172.5	0	0	0	0	0	112.2	C826 D830 G831	C826-A828 VanDerWaalsContact C-N 3.25Å; C826-A828 PolarHBondContact O-N 3.05Å; A828-D830 PolarHBondContact O-N 2.71Å; A828-G831 PolarHBondContact O-N 2.99Å
829	L	49.6	Very low	72	Confident	182 Å²	182	67 Å²	67	95%	0.953	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.3	173.7	-80.1	147.3	0	0	0	113.6
830	D	49.8	Very low	71.4	Confident	155 Å²	155	74.8 Å²	74.8	83%	0.829	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	4.8	-178.5	-63.5	-37.7	0	0	0	114.2	A828 K832	A828-D830 PolarHBondContact O-N 2.71Å; D830-K832 PolarHBondContact O-N 2.9Å
831	G	54.5	Low	71	Confident	68 Å²	68	78.6 Å²	78.6	70%	0.701	44%	0.441	S	S	*	.	S	Bend	trans	70.4	-0.1	173.6	0	0	0	0	0	116.8	A828	A828-G831 PolarHBondContact O-N 2.99Å
832	K	53.7	Low	70.9	Confident	182 Å²	182	75.8 Å²	75.8	79%	0.791	42%	0.423	S	S	*	.			trans	-93.6	114	168.9	-77.1	-170.8	174	-174.8	0	111.2	D830	D830-K832 PolarHBondContact O-N 2.9Å
833	C	63	Low	71.1	Confident	59 Å²	59	76.7 Å²	76.7	40%	0.399	43%	0.428	S	S	.	.			trans	-66.3	142.9	166.5	-61.7	0	0	0	0	110.6	C826	C826-C833 HydrophobicContact CB-CB 4.08Å; C826-C833 WeakPolarHBondContact CB-SG 3.23Å; C826-C833 WeakPolarHBondContact SG-CB 3.39Å; C826-C833 CovalentContact SG-SG 2.03Å; C826-C833 PolarHBondContact SG-SG 3.15Å
834	S	62	Low	71.3	Confident	66 Å²	66	76.7 Å²	76.7	46%	0.462	43%	0.428	S	S	.	.	S	Bend	trans	-82.4	-24.4	175.3	56	0	0	0	0	113.5	Q36	Q36-S834 PolarHBondContact NE2-O 3.32Å
835	I	73.3	Confident	71.8	Confident	14 Å²	14	71.1 Å²	71.1	7%	0.072	41%	0.407	C	S	.	.			trans	-154.1	151.4	173.2	54	166.8	0	0	0	108.1	I38 V42 W46 D839 I842	I38-I835 HydrophobicContact CG2-CD1 3.91Å; V42-I835 HydrophobicContact CG1-CG1 4.32Å; W46-I835 HydrophobicContact CH2-CD1 3.97Å; W46-I835 HydrophobicContact CH2-CG1 4Å; W46-I835 HydrophobicContact CZ2-CG1 4.48Å; W46-I835 HydrophobicContact CZ3-CD1 4.42Å; I835-D839 WeakPolarHBondContact CA-OD2 3.38Å; I835-I842 HydrophobicContact CB-CD1 3.75Å; I835-I842 HydrophobicContact CD1-CD1 4.29Å; I835-I842 HydrophobicContact CG2-CD1 3.55Å
836	S	79.8	Confident	72.6	Confident	15 Å²	15	67.1 Å²	67.1	11%	0.105	39%	0.388	C	S	.	.			trans	-130.5	159.7	165.4	-170.8	0	0	0	0	109.7	D838 D839	S836-D838 PolarHBondContact O-N 3.01Å; S836-D838 PolarHBondContact OG-N 2.8Å; S836-D838 PolarHBondContact OG-OD2 2.82Å; S836-D839 PolarHBondContact N-OD2 2.99Å; S836-D839 WeakPolarHBondContact O-CB 3.4Å; S836-D839 PolarHBondContact O-N 2.94Å
837	C	81.6	Confident	73.7	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.027	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2	165.4	-66.3	0	0	0	0	113.3	W820 S823 C844	W820-C837 HydrophobicContact CE3-CB 4.31Å; W820-C837 HydrophobicContact CZ3-CB 3.94Å; S823-C837 VanDerWaalsContact CB-SG 3.6Å; C837-C844 HydrophobicContact CB-CB 3.62Å; C837-C844 WeakPolarHBondContact CB-SG 3.17Å; C837-C844 WeakPolarHBondContact SG-CB 3.33Å; C837-C844 CovalentContact SG-SG 2.03Å; C837-C844 PolarHBondContact SG-SG 2.85Å
838	D	79.1	Confident	75.3	Confident	83 Å²	83	60.6 Å²	60.6	44%	0.444	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.8	167.6	-52	-73.6	0	0	0	112.4	R824 S836	R824-D838 VanDerWaalsContact CG-OD2 3.3Å; R824-D838 WeakPolarHBondContact CG-OD2 3.03Å; R824-D838 IonicContact CZ-OD1 2.7Å; R824-D838 IonicContact CZ-OD2 3.55Å; R824-D838 IonicContact NE-OD1 3.8Å; R824-D838 PolarHBondContact NE-OD1 2.95Å; R824-D838 VanDerWaalsContact NE-OD1 3.17Å; R824-D838 IonicContact NE-OD2 3.82Å; R824-D838 PolarHBondContact NE-OD2 3.11Å; R824-D838 IonicContact NH2-OD1 3.53Å; R824-D838 PolarHBondContact NH2-OD1 3.36Å; R824-D838 IonicContact NH2-OD2 2.64Å; S836-D838 PolarHBondContact O-N 3.01Å; S836-D838 PolarHBondContact OG-N 2.8Å; S836-D838 PolarHBondContact OG-OD2 2.82Å
839	D	80.7	Confident	76.9	Confident	71 Å²	71	60 Å²	60	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	-83.1	122.7	178.3	-69.3	-41.5	0	0	0	110.3	I835 S836 H841 I842	I835-D839 WeakPolarHBondContact CA-OD2 3.38Å; S836-D839 PolarHBondContact N-OD2 2.99Å; S836-D839 WeakPolarHBondContact O-CB 3.4Å; S836-D839 PolarHBondContact O-N 2.94Å; D839-H841 PolarHBondContact O-N 3.45Å; D839-I842 PolarHBondContact O-N 2.78Å
840	E	78.4	Confident	78.9	Confident	167 Å²	167	51.5 Å²	51.5	78%	0.78	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-13.2	178	-61.7	-179.8	171.9	0	0	114.9
841	H	81.6	Confident	80.7	Confident	110 Å²	110	44.1 Å²	44.1	51%	0.509	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.9	179.8	-63.2	-25.2	0	0	0	114.2	D839 N1004	D839-H841 PolarHBondContact O-N 3.45Å; H841-N1004 PolarHBondContact O-N 3.43Å
842	I	87.4	Confident	82.5	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.8	-174.2	-57.9	178.3	0	0	0	110.5	I835 D839 V1001 V1002	I835-I842 HydrophobicContact CB-CD1 3.75Å; I835-I842 HydrophobicContact CD1-CD1 4.29Å; I835-I842 HydrophobicContact CG2-CD1 3.55Å; D839-I842 PolarHBondContact O-N 2.78Å; I842-V1001 HydrophobicContact CG2-CG1 3.29Å; I842-V1002 CarbonylContact C-O 3.54Å; I842-V1002 WeakPolarHBondContact CA-O 3.47Å
843	N	89.7	Confident	84.3	Confident	20 Å²	20	32.6 Å²	32.6	11%	0.107	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.9	173.6	-58.5	-8.8	0	0	0	109.5	Y845 V1002 N1004	N843-Y845 HydrophobicContact CB-CD2 4.42Å; N843-Y845 HydrophobicContact CB-CE2 3.49Å; N843-Y845 VanDerWaalsContact CB-CE2 3.49Å; N843-Y845 PolarHBondContact ND2-OH 3.46Å; N843-V1002 PolarHBondContact N-O 3.39Å; N843-V1002 PolarHBondContact O-N 3.36Å; N843-N1004 PolarHBondContact ND2-OD1 3.01Å; N843-N1004 VanDerWaalsContact ND2-OD1 3.13Å; N843-N1004 WeakPolarHBondContact OD1-CB 3.43Å; N843-N1004 PolarHBondContact OD1-ND2 2.74Å
844	C	91.2	Very high	85.6	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.5	177.3	-68.5	0	0	0	0	111.5	W820 C837	W820-C844 HydrophobicContact CZ3-CB 4.33Å; C837-C844 HydrophobicContact CB-CB 3.62Å; C837-C844 WeakPolarHBondContact CB-SG 3.17Å; C837-C844 WeakPolarHBondContact SG-CB 3.33Å; C837-C844 CovalentContact SG-SG 2.03Å; C837-C844 PolarHBondContact SG-SG 2.85Å
845	Y	93.3	Very high	87	Confident	15 Å²	15	26.7 Å²	26.7	6%	0.059	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147	-179.2	-55.3	-87.7	0	0	0	111.1	N843 I853 V855 A856 L861 F866 E870 V1000 V1002	N843-Y845 HydrophobicContact CB-CD2 4.42Å; N843-Y845 HydrophobicContact CB-CE2 3.49Å; N843-Y845 VanDerWaalsContact CB-CE2 3.49Å; N843-Y845 PolarHBondContact ND2-OH 3.46Å; Y845-I853 HydrophobicContact CD1-CD1 4.27Å; Y845-V855 WeakPolarHBondContact CA-O 3.26Å; Y845-A856 HydrophobicContact CD1-CB 3.78Å; Y845-A856 HydrophobicContact CE1-CB 3.96Å; Y845-L861 HydrophobicContact CE1-CD1 4.29Å; Y845-F866 HydrophobicContact CD1-CE2 4.42Å; Y845-F866 AromaticContact CD2-CE2 3.77Å; Y845-F866 HydrophobicContact CD2-CE2 3.77Å; Y845-F866 HydrophobicContact CE2-CE2 4.2Å; Y845-F866 HydrophobicContact CG-CD2 4.39Å; Y845-F866 AromaticContact CG-CE2 3.89Å; Y845-F866 HydrophobicContact CG-CE2 3.89Å; Y845-E870 HydrophobicContact CE2-CG 4.16Å; Y845-V1000 PolarHBondContact N-O 3.31Å; Y845-V1000 PolarHBondContact O-N 3.1Å; Y845-V1002 HydrophobicContact CD2-CG2 4.3Å; Y845-V1002 HydrophobicContact CE2-CG2 4.25Å
846	L	93.3	Very high	87.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.6	167.1	-171.2	62.7	0	0	0	108.1	F50 F815 F819 L854 V855 I992 L997	F50-L846 HydrophobicContact CE1-CD1 4.43Å; F50-L846 HydrophobicContact CE1-CD2 3.85Å; F50-L846 HydrophobicContact CZ-CD2 3.88Å; F815-L846 HydrophobicContact CE1-CD2 3.6Å; F815-L846 HydrophobicContact CZ-CD2 3.91Å; F819-L846 HydrophobicContact CD2-CB 4.27Å; F819-L846 HydrophobicContact CD2-CD1 4.24Å; F819-L846 HydrophobicContact CD2-CD2 3.98Å; F819-L846 HydrophobicContact CD2-CG 4.41Å; F819-L846 HydrophobicContact CE2-CB 3.94Å; F819-L846 HydrophobicContact CE2-CD1 3.97Å; F819-L846 HydrophobicContact CE2-CD2 4.4Å; F819-L846 HydrophobicContact CE2-CG 4.33Å; F819-L846 HydrophobicContact CZ-CB 4.21Å; L846-L854 HydrophobicContact CD2-CB 4.5Å; L846-L854 PolarHBondContact O-N 3.02Å; L846-V855 HydrophobicContact CB-CB 3.76Å; L846-V855 HydrophobicContact CB-CG2 4.08Å; L846-V855 HydrophobicContact CD2-CB 4.37Å; L846-V855 HydrophobicContact CD2-CG2 3.77Å; L846-V855 PolarHBondContact N-O 2.88Å; L846-V855 PolarHBondContact O-N 3Å; L846-I992 HydrophobicContact CD1-CD1 3.34Å; L846-L997 HydrophobicContact CD1-CB 4.12Å; L846-L997 HydrophobicContact CD1-CD1 4.28Å; L846-L997 HydrophobicContact CD2-CD1 4.14Å; L846-L997 HydrophobicContact CG-CD1 4.33Å
847	I	93.5	Very high	88	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.3	-178.5	69	174.6	0	0	0	111.6	F852 I853 F866 F883 I989 L997 F998 V1000	I847-F852 CarbonylContact C-O 3.58Å; I847-F852 WeakPolarHBondContact CA-O 3.49Å; I847-I853 HydrophobicContact CG2-CG1 4.13Å; I847-F866 HydrophobicContact CG2-CB 4.13Å; I847-F866 HydrophobicContact CG2-CD2 3.94Å; I847-F866 HydrophobicContact CG2-CG 4.12Å; I847-F883 HydrophobicContact CD1-CE2 4.25Å; I847-F883 HydrophobicContact CD1-CZ 3.89Å; I847-I989 HydrophobicContact CD1-CD1 4.4Å; I847-L997 CarbonylContact O-C 3.47Å; I847-L997 WeakPolarHBondContact O-CA 3.26Å; I847-F998 HydrophobicContact CD1-CB 4.41Å; I847-F998 HydrophobicContact CG1-CB 3.85Å; I847-F998 PolarHBondContact N-O 3.36Å; I847-F998 PolarHBondContact O-N 2.9Å; I847-V1000 HydrophobicContact CD1-CG2 3.67Å; I847-V1000 HydrophobicContact CG1-CG2 3.96Å
848	D	91.3	Very high	88.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	172	167.8	73.3	16.6	0	0	0	112.8	R585 N850 G851 F852 L854 L997	R585-D848 IonicContact CZ-OD2 2.65Å; R585-D848 VanDerWaalsContact CZ-OD2 3.3Å; R585-D848 IonicContact NE-OD2 3.92Å; R585-D848 PolarHBondContact NE-OD2 3.32Å; R585-D848 IonicContact NH2-OD2 3.44Å; R585-D848 PolarHBondContact NH2-OD2 3.06Å; D848-N850 PolarHBondContact O-N 3.1Å; D848-N850 VanDerWaalsContact O-N 3.07Å; D848-N850 WeakPolarHBondContact OD1-CA 3.34Å; D848-N850 WeakPolarHBondContact OD1-CB 3.35Å; D848-N850 PolarHBondContact OD1-N 3.4Å; D848-G851 PolarHBondContact O-N 3.42Å; D848-G851 PolarHBondContact OD1-N 3.45Å; D848-F852 PolarHBondContact N-O 3.16Å; D848-F852 PolarHBondContact OD1-N 3.07Å; D848-L854 HydrophobicContact CB-CD1 3.84Å; D848-L997 HydrophobicContact CB-CD2 4.29Å
849	N	89.3	Confident	88.3	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-6.4	176	66.3	-84.4	0	0	0	114.9	S967 N996 F998	N849-S967 WeakPolarHBondContact CB-OG 3.37Å; N849-S967 PolarHBondContact O-N 2.64Å; N849-S967 PolarHBondContact O-OG 3.02Å; N849-N996 HydrophobicContact CB-CB 4.43Å; N849-N996 WeakPolarHBondContact CB-O 3.44Å; N849-N996 PolarHBondContact N-O 2.85Å; N849-N996 WeakPolarHBondContact OD1-CB 3.34Å; N849-N996 PolarHBondContact OD1-ND2 3.06Å; N849-N996 VanDerWaalsContact OD1-ND2 3.1Å; N849-F998 HydrophobicContact CB-CE2 4.33Å
850	N	89.7	Confident	88.5	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.7	173.4	-68.8	105.4	0	0	0	112.1	R585 V586 D848 F852 F965	R585-N850 HydrophobicContact CB-CB 4.41Å; R585-N850 HydrophobicContact CG-CB 3.96Å; V586-N850 PolarHBondContact N-ND2 3.25Å; D848-N850 PolarHBondContact O-N 3.1Å; D848-N850 VanDerWaalsContact O-N 3.07Å; D848-N850 WeakPolarHBondContact OD1-CA 3.34Å; D848-N850 WeakPolarHBondContact OD1-CB 3.35Å; D848-N850 PolarHBondContact OD1-N 3.4Å; N850-F852 HydrophobicContact CB-CD2 4.03Å; N850-F852 HydrophobicContact CB-CE2 4.12Å; N850-F965 WeakPolarHBondContact CA-O 3.47Å; N850-F965 PolarHBondContact ND2-O 2.68Å
851	G	89.6	Confident	88.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	90.8	14.5	177.5	0	0	0	0	0	114.8	D848 F865 F866	D848-G851 PolarHBondContact O-N 3.42Å; D848-G851 PolarHBondContact OD1-N 3.45Å; G851-F865 WeakPolarHBondContact O-CD2 3.49Å; G851-F866 WeakPolarHBondContact O-CB 3.49Å; G851-F866 PolarHBondContact O-N 3.09Å
852	F	91.1	Very high	89.1	Confident	8 Å²	8	28.3 Å²	28.3	4%	0.035	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-82.4	138.8	172.5	-68.1	-80.9	0	0	0	111.5	K584 R585 F776 I847 D848 N850 L854 F865 M1016	K584-F852 HydrophobicContact CB-CE1 4.4Å; K584-F852 HydrophobicContact CB-CE2 4.14Å; K584-F852 HydrophobicContact CB-CZ 3.65Å; K584-F852 HydrophobicContact CD-CE1 4.29Å; K584-F852 HydrophobicContact CD-CZ 4.35Å; K584-F852 HydrophobicContact CG-CZ 4.22Å; K584-F852 WeakPolarHBondContact O-CE2 3.48Å; K584-F852 WeakPolarHBondContact O-CZ 3.38Å; R585-F852 HydrophobicContact CG-CD2 4.08Å; R585-F852 HydrophobicContact CG-CE2 3.83Å; F776-F852 HydrophobicContact CE2-CD1 4.36Å; F776-F852 HydrophobicContact CE2-CG 4.41Å; F776-F852 HydrophobicContact CZ-CB 4.5Å; F776-F852 AromaticContact CZ-CD1 3.62Å; F776-F852 HydrophobicContact CZ-CD1 3.62Å; F776-F852 AromaticContact CZ-CE1 3.98Å; F776-F852 HydrophobicContact CZ-CE1 3.98Å; F776-F852 AromaticContact CZ-CG 3.94Å; F776-F852 HydrophobicContact CZ-CG 3.94Å; I847-F852 CarbonylContact C-O 3.58Å; I847-F852 WeakPolarHBondContact CA-O 3.49Å; D848-F852 PolarHBondContact N-O 3.16Å; D848-F852 PolarHBondContact OD1-N 3.07Å; N850-F852 HydrophobicContact CB-CD2 4.03Å; N850-F852 HydrophobicContact CB-CE2 4.12Å; F852-L854 WeakPolarHBondContact O-CD1 3.31Å; F852-F865 HydrophobicContact CE1-CB 4.26Å; F852-M1016 HydrophobicContact CE1-SD 4.49Å; F852-M1016 HydrophobicContact CE2-SD 4.49Å; F852-M1016 HydrophobicContact CZ-CE 4.22Å; F852-M1016 HydrophobicContact CZ-SD 3.83Å
853	I	91.6	Very high	88.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123	178.5	-61.4	172.2	0	0	0	109.9	Y845 I847 A856 L861 G863 N864 F866 A869	Y845-I853 HydrophobicContact CD1-CD1 4.27Å; I847-I853 HydrophobicContact CG2-CG1 4.13Å; I853-A856 HydrophobicContact CG2-CB 3.81Å; I853-L861 WeakPolarHBondContact CB-O 3.38Å; I853-L861 HydrophobicContact CD1-CB 4.15Å; I853-G863 PolarHBondContact O-N 3.42Å; I853-N864 PolarHBondContact N-O 3.33Å; I853-F866 HydrophobicContact CD1-CD2 4.25Å; I853-F866 HydrophobicContact CG1-CB 4.2Å; I853-F866 HydrophobicContact CG1-CD2 4.23Å; I853-A869 HydrophobicContact CD1-CB 4.01Å
854	L	90.1	Very high	88.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-32.7	170.8	-80.9	76.6	0	0	0	112.3	L774 F815 L846 D848 F852 T862 L997	L774-L854 HydrophobicContact CD1-CG 4.48Å; L774-L854 HydrophobicContact CG-CG 4.27Å; F815-L854 HydrophobicContact CE1-CB 4.35Å; F815-L854 HydrophobicContact CE1-CD2 4Å; F815-L854 HydrophobicContact CZ-CD2 4.34Å; L846-L854 HydrophobicContact CD2-CB 4.5Å; L846-L854 PolarHBondContact O-N 3.02Å; D848-L854 HydrophobicContact CB-CD1 3.84Å; F852-L854 WeakPolarHBondContact O-CD1 3.31Å; L854-T862 WeakPolarHBondContact O-CG2 3.45Å; L854-L997 HydrophobicContact CD1-CD2 4.2Å; L854-L997 HydrophobicContact CD2-CD2 3.76Å
855	V	90.9	Very high	88.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.3	177.1	-175	0	0	0	0	108.8	F815 Q816 F819 W820 Y845 L846	F815-V855 HydrophobicContact CD1-CG2 4.08Å; F815-V855 HydrophobicContact CE1-CG2 4.19Å; Q816-V855 HydrophobicContact CB-CG1 4.41Å; Q816-V855 HydrophobicContact CG-CB 4.34Å; Q816-V855 HydrophobicContact CG-CG1 3.95Å; Q816-V855 HydrophobicContact CG-CG2 3.71Å; F819-V855 HydrophobicContact CD1-CB 4.2Å; F819-V855 HydrophobicContact CD1-CG1 3.59Å; F819-V855 HydrophobicContact CE1-CB 4.49Å; F819-V855 HydrophobicContact CE1-CG1 4.02Å; F819-V855 HydrophobicContact CG-CG1 4.25Å; W820-V855 HydrophobicContact CZ2-CG1 3.79Å; Y845-V855 WeakPolarHBondContact CA-O 3.26Å; L846-V855 HydrophobicContact CB-CB 3.76Å; L846-V855 HydrophobicContact CB-CG2 4.08Å; L846-V855 HydrophobicContact CD2-CB 4.37Å; L846-V855 HydrophobicContact CD2-CG2 3.77Å; L846-V855 PolarHBondContact N-O 2.88Å; L846-V855 PolarHBondContact O-N 3Å
856	A	89.8	Confident	88.8	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.008	15%	0.152	C	C	.	.			trans	-140.3	164.1	167.3	0	0	0	0	0	108	Y845 I853 L861	Y845-A856 HydrophobicContact CD1-CB 3.78Å; Y845-A856 HydrophobicContact CE1-CB 3.96Å; I853-A856 HydrophobicContact CG2-CB 3.81Å; A856-L861 HydrophobicContact CB-CB 4.16Å
857	E	84.9	Confident	88.6	Confident	121 Å²	121	29.9 Å²	29.9	57%	0.565	15%	0.152	S	C	*	.	S	Bend	trans	-64.2	-43.8	172.7	-173.8	180	-174.7	0	0	111.2	W820 Y859	W820-E857 HydrophobicContact CH2-CB 4.11Å; W820-E857 HydrophobicContact CZ2-CB 4.45Å; E857-Y859 PolarHBondContact O-N 3.44Å
858	D	85.8	Confident	88.4	Confident	80 Å²	80	33.5 Å²	33.5	43%	0.428	17%	0.17	S	C	.	.	S	Bend	trans	-81.2	111.2	167.6	-173.1	-13.7	0	0	0	110.4	T860 L861	D858-T860 PolarHBondContact O-N 3.25Å; D858-T860 WeakPolarHBondContact OD1-CB 3.44Å; D858-T860 WeakPolarHBondContact OD1-CG2 3.46Å; D858-T860 PolarHBondContact OD1-N 3Å; D858-T860 PolarHBondContact OD1-OG1 3.49Å; D858-T860 PolarHBondContact OD2-OG1 2.77Å; D858-T860 VanDerWaalsContact OD2-OG1 3.07Å; D858-L861 HydrophobicContact CB-CD1 4.13Å; D858-L861 HydrophobicContact CB-CG 4.15Å; D858-L861 PolarHBondContact O-N 3.47Å
859	Y	82.1	Confident	88.3	Confident	142 Å²	142	35.2 Å²	35.2	56%	0.557	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-59.4	-26.5	177.8	-64.9	-87.2	0	0	0	113.3	E857 L861 T862	E857-Y859 PolarHBondContact O-N 3.44Å; Y859-L861 PolarHBondContact O-N 3.3Å; Y859-T862 VanDerWaalsContact O-CB 3.29Å; Y859-T862 WeakPolarHBondContact O-CB 3.34Å; Y859-T862 PolarHBondContact O-N 2.88Å; Y859-T862 VanDerWaalsContact O-N 3.09Å; Y859-T862 PolarHBondContact O-OG1 3Å
860	T	84.6	Confident	88.3	Confident	96 Å²	96	34.1 Å²	34.1	59%	0.589	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-67.9	-20.8	179.7	69.8	0	0	0	0	113.4	D858 T862 N864	D858-T860 PolarHBondContact O-N 3.25Å; D858-T860 WeakPolarHBondContact OD1-CB 3.44Å; D858-T860 WeakPolarHBondContact OD1-CG2 3.46Å; D858-T860 PolarHBondContact OD1-N 3Å; D858-T860 PolarHBondContact OD1-OG1 3.49Å; D858-T860 PolarHBondContact OD2-OG1 2.77Å; D858-T860 VanDerWaalsContact OD2-OG1 3.07Å; T860-T862 VanDerWaalsContact C-N 3.32Å; T860-N864 PolarHBondContact O-ND2 3.15Å
861	L	85.5	Confident	88.3	Confident	40 Å²	40	34.2 Å²	34.2	21%	0.209	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-81.6	-10.4	174.8	-57.5	179.5	0	0	0	112.9	Y845 I853 A856 D858 Y859 G863 N864 A869	Y845-L861 HydrophobicContact CE1-CD1 4.29Å; I853-L861 WeakPolarHBondContact CB-O 3.38Å; I853-L861 HydrophobicContact CD1-CB 4.15Å; A856-L861 HydrophobicContact CB-CB 4.16Å; D858-L861 HydrophobicContact CB-CD1 4.13Å; D858-L861 HydrophobicContact CB-CG 4.15Å; D858-L861 PolarHBondContact O-N 3.47Å; Y859-L861 PolarHBondContact O-N 3.3Å; L861-G863 PolarHBondContact O-N 3.12Å; L861-N864 WeakPolarHBondContact O-CB 3.3Å; L861-N864 PolarHBondContact O-N 3.5Å; L861-N864 VanDerWaalsContact O-N 3.15Å; L861-A869 HydrophobicContact CD1-CB 4.2Å; L861-A869 HydrophobicContact CD2-CB 4.29Å
862	T	86.8	Confident	88.4	Confident	17 Å²	17	34.5 Å²	34.5	10%	0.104	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	123.4	-178.5	-57.6	0	0	0	0	110.4	L774 L812 L854 Y859 T860	L774-T862 HydrophobicContact CD1-CG2 3.68Å; L812-T862 HydrophobicContact CD2-CG2 4.1Å; L854-T862 WeakPolarHBondContact O-CG2 3.45Å; Y859-T862 VanDerWaalsContact O-CB 3.29Å; Y859-T862 WeakPolarHBondContact O-CB 3.34Å; Y859-T862 PolarHBondContact O-N 2.88Å; Y859-T862 VanDerWaalsContact O-N 3.09Å; Y859-T862 PolarHBondContact O-OG1 3Å; T860-T862 VanDerWaalsContact C-N 3.32Å
863	G	83.4	Confident	88.3	Confident	11 Å²	11	34.1 Å²	34.1	11%	0.113	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-12.9	-173.6	0	0	0	0	0	114.6	F776 I853 L861	F776-G863 VanDerWaalsContact CE1-O 3.31Å; F776-G863 WeakPolarHBondContact CE1-O 3.35Å; I853-G863 PolarHBondContact O-N 3.42Å; L861-G863 PolarHBondContact O-N 3.12Å
864	N	88.3	Confident	88.4	Confident	67 Å²	67	34.1 Å²	34.1	36%	0.358	18%	0.18	S	C	.	.	S	Bend	trans	-81.5	165.1	176.1	-61.7	-12.1	0	0	0	111.1	I853 T860 L861	I853-N864 PolarHBondContact N-O 3.33Å; T860-N864 PolarHBondContact O-ND2 3.15Å; L861-N864 WeakPolarHBondContact O-CB 3.3Å; L861-N864 PolarHBondContact O-N 3.5Å; L861-N864 VanDerWaalsContact O-N 3.15Å
865	F	90.4	Very high	88.4	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-80	135.4	177.5	178	-116.1	0	0	0	110.7	G851 F852 G867 E868 M874 F965 I1014 M1016	G851-F865 WeakPolarHBondContact O-CD2 3.49Å; F852-F865 HydrophobicContact CE1-CB 4.26Å; F865-G867 VanDerWaalsContact CD1-N 3.33Å; F865-G867 PolarHBondContact O-N 3.35Å; F865-G867 VanDerWaalsContact O-N 3.13Å; F865-E868 HydrophobicContact CB-CG 4.36Å; F865-E868 WeakPolarHBondContact O-CB 3.05Å; F865-E868 PolarHBondContact O-N 2.88Å; F865-M874 HydrophobicContact CE1-CE 4.4Å; F865-M874 HydrophobicContact CE1-CG 4.48Å; F865-M874 HydrophobicContact CE2-CE 3.8Å; F865-M874 HydrophobicContact CZ-CE 3.54Å; F865-M874 HydrophobicContact CZ-CG 4.23Å; F865-M874 HydrophobicContact CZ-SD 4.38Å; F865-F965 AromaticContact CE1-CD2 3.75Å; F865-F965 HydrophobicContact CE1-CD2 3.75Å; F865-F965 AromaticContact CE1-CE2 3.71Å; F865-F965 HydrophobicContact CE1-CE2 3.71Å; F865-F965 HydrophobicContact CE1-CZ 4.44Å; F865-F965 HydrophobicContact CE2-CB 3.98Å; F865-F965 AromaticContact CE2-CD2 3.63Å; F865-F965 HydrophobicContact CE2-CD2 3.63Å; F865-F965 HydrophobicContact CE2-CE2 4.43Å; F865-F965 HydrophobicContact CE2-CG 4.01Å; F865-F965 HydrophobicContact CZ-CB 4.03Å; F865-F965 HydrophobicContact CZ-CD1 4.34Å; F865-F965 AromaticContact CZ-CD2 3.13Å; F865-F965 HydrophobicContact CZ-CD2 3.13Å; F865-F965 AromaticContact CZ-CE2 3.57Å; F865-F965 HydrophobicContact CZ-CE2 3.57Å; F865-F965 AromaticContact CZ-CG 3.57Å; F865-F965 HydrophobicContact CZ-CG 3.57Å; F865-F965 HydrophobicContact CZ-CZ 4.33Å; F865-I1014 VanDerWaalsContact CD1-O 3.26Å; F865-I1014 WeakPolarHBondContact CD1-O 3.44Å; F865-I1014 HydrophobicContact CE1-CB 4.49Å; F865-I1014 HydrophobicContact CE1-CG2 4.15Å; F865-I1014 WeakPolarHBondContact CE1-O 3.43Å; F865-M1016 HydrophobicContact CB-SD 4.27Å; F865-M1016 HydrophobicContact CD1-CG 3.99Å; F865-M1016 HydrophobicContact CD1-SD 4.3Å; F865-M1016 HydrophobicContact CD2-CG 4.38Å; F865-M1016 HydrophobicContact CD2-SD 3.63Å; F865-M1016 HydrophobicContact CE1-CG 4.29Å; F865-M1016 HydrophobicContact CE2-SD 4.01Å; F865-M1016 HydrophobicContact CG-CG 4.05Å; F865-M1016 HydrophobicContact CG-SD 3.8Å
866	F	91.9	Very high	88.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-26.7	-176.4	-178.8	-106.2	0	0	0	113.3	Y845 I847 G851 I853 E868 A869 E870 V873 M874 L877 V1000	Y845-F866 HydrophobicContact CD1-CE2 4.42Å; Y845-F866 AromaticContact CD2-CE2 3.77Å; Y845-F866 HydrophobicContact CD2-CE2 3.77Å; Y845-F866 HydrophobicContact CE2-CE2 4.2Å; Y845-F866 HydrophobicContact CG-CD2 4.39Å; Y845-F866 AromaticContact CG-CE2 3.89Å; Y845-F866 HydrophobicContact CG-CE2 3.89Å; I847-F866 HydrophobicContact CG2-CB 4.13Å; I847-F866 HydrophobicContact CG2-CD2 3.94Å; I847-F866 HydrophobicContact CG2-CG 4.12Å; G851-F866 WeakPolarHBondContact O-CB 3.49Å; G851-F866 PolarHBondContact O-N 3.09Å; I853-F866 HydrophobicContact CD1-CD2 4.25Å; I853-F866 HydrophobicContact CG1-CB 4.2Å; I853-F866 HydrophobicContact CG1-CD2 4.23Å; F866-E868 VanDerWaalsContact C-N 3.29Å; F866-E868 PolarHBondContact O-N 3.04Å; F866-A869 PolarHBondContact O-N 3.3Å; F866-E870 HydrophobicContact CD2-CB 4.44Å; F866-E870 HydrophobicContact CE1-CB 4.08Å; F866-E870 HydrophobicContact CE2-CB 3.82Å; F866-E870 HydrophobicContact CE2-CG 4.15Å; F866-E870 HydrophobicContact CZ-CB 3.61Å; F866-E870 HydrophobicContact CZ-CG 4.2Å; F866-E870 PolarHBondContact O-N 3.48Å; F866-V873 HydrophobicContact CE1-CB 4.04Å; F866-V873 HydrophobicContact CE1-CG1 3.9Å; F866-V873 HydrophobicContact CZ-CB 4.21Å; F866-V873 HydrophobicContact CZ-CG1 4.09Å; F866-M874 HydrophobicContact CB-CE 4.08Å; F866-M874 HydrophobicContact CD1-CB 4.35Å; F866-M874 HydrophobicContact CD1-CE 3.81Å; F866-M874 HydrophobicContact CG-CE 4.45Å; F866-L877 HydrophobicContact CE1-CD1 4.33Å; F866-V1000 HydrophobicContact CE2-CG1 4.49Å; F866-V1000 HydrophobicContact CZ-CB 4.48Å; F866-V1000 HydrophobicContact CZ-CG1 3.89Å
867	G	89.9	Confident	88.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-18.1	174.4	0	0	0	0	0	115.1	F865 G871 I1014	F865-G867 VanDerWaalsContact CD1-N 3.33Å; F865-G867 PolarHBondContact O-N 3.35Å; F865-G867 VanDerWaalsContact O-N 3.13Å; G867-G871 WeakPolarHBondContact O-CA 3.16Å; G867-G871 PolarHBondContact O-N 3.03Å; G867-I1014 CarbonylContact C-O 3.56Å; G867-I1014 PolarHBondContact O-N 3.02Å
868	E	89.5	Confident	88.7	Confident	77 Å²	77	36 Å²	36	36%	0.36	19%	0.19	S	C	.	.	H	α-helix	trans	-79.9	-36.8	173.7	-66	163.3	-172.7	0	0	111	F865 F866 T1015	F865-E868 HydrophobicContact CB-CG 4.36Å; F865-E868 WeakPolarHBondContact O-CB 3.05Å; F865-E868 PolarHBondContact O-N 2.88Å; F866-E868 VanDerWaalsContact C-N 3.29Å; F866-E868 PolarHBondContact O-N 3.04Å; E868-T1015 HydrophobicContact CG-CG2 4.42Å
869	A	88.9	Confident	88.9	Confident	36 Å²	36	38 Å²	38	30%	0.298	20%	0.198	S	C	.	.	H	α-helix	trans	-81	-43.3	177.8	0	0	0	0	0	113.2	I853 L861 F866	I853-A869 HydrophobicContact CD1-CB 4.01Å; L861-A869 HydrophobicContact CD1-CB 4.2Å; L861-A869 HydrophobicContact CD2-CB 4.29Å; F866-A869 PolarHBondContact O-N 3.3Å
870	E	90.5	Very high	89.3	Confident	13 Å²	13	34.1 Å²	34.1	6%	0.061	19%	0.185	C	C	.	.			trans	-134.6	57.7	-173	-80.6	-73.8	-169.5	0	0	111.2	Y845 F866 A872 V873 M874 K985	Y845-E870 HydrophobicContact CE2-CG 4.16Å; F866-E870 HydrophobicContact CD2-CB 4.44Å; F866-E870 HydrophobicContact CE1-CB 4.08Å; F866-E870 HydrophobicContact CE2-CB 3.82Å; F866-E870 HydrophobicContact CE2-CG 4.15Å; F866-E870 HydrophobicContact CZ-CB 3.61Å; F866-E870 HydrophobicContact CZ-CG 4.2Å; F866-E870 PolarHBondContact O-N 3.48Å; E870-A872 VanDerWaalsContact C-N 3.26Å; E870-A872 PolarHBondContact O-N 3.47Å; E870-V873 HydrophobicContact CB-CB 4.25Å; E870-V873 HydrophobicContact CB-CG2 4.26Å; E870-V873 PolarHBondContact O-N 3.04Å; E870-M874 PolarHBondContact O-N 2.9Å; E870-K985 IonicContact OE1-NZ 2.68Å; E870-K985 PolarHBondContact OE1-NZ 3.46Å; E870-K985 IonicContact OE2-NZ 3.51Å; E870-K985 PolarHBondContact OE2-NZ 3.49Å
871	G	89.7	Confident	89.4	Confident	7 Å²	7	31.3 Å²	31.3	7%	0.072	18%	0.175	C	C	.	.	H	α-helix	trans	-53.2	-37.3	-178.3	0	0	0	0	0	114.4	G867 V873 M874 N875	G867-G871 WeakPolarHBondContact O-CA 3.16Å; G867-G871 PolarHBondContact O-N 3.03Å; G871-V873 PolarHBondContact O-N 2.91Å; G871-M874 PolarHBondContact O-N 2.82Å; G871-N875 VanDerWaalsContact O-CB 3.31Å; G871-N875 WeakPolarHBondContact O-CB 3.37Å; G871-N875 PolarHBondContact O-N 3.44Å
872	A	89.8	Confident	89.5	Confident	6 Å²	6	29.8 Å²	29.8	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-46.2	174.6	0	0	0	0	0	112.6	E870 K876 I978 C1008 F1011	E870-A872 VanDerWaalsContact C-N 3.26Å; E870-A872 PolarHBondContact O-N 3.47Å; A872-K876 PolarHBondContact O-N 3.12Å; A872-I978 HydrophobicContact CB-CD1 4.3Å; A872-C1008 HydrophobicContact CB-CB 3.81Å; A872-F1011 HydrophobicContact CB-CB 3.85Å; A872-F1011 HydrophobicContact CB-CD2 3.64Å; A872-F1011 HydrophobicContact CB-CG 4.01Å
873	V	90.8	Very high	89.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-44.8	179.8	-176.9	0	0	0	0	110.3	F866 E870 G871 N875 K876 L877 I978 F987 V1002	F866-V873 HydrophobicContact CE1-CB 4.04Å; F866-V873 HydrophobicContact CE1-CG1 3.9Å; F866-V873 HydrophobicContact CZ-CB 4.21Å; F866-V873 HydrophobicContact CZ-CG1 4.09Å; E870-V873 HydrophobicContact CB-CB 4.25Å; E870-V873 HydrophobicContact CB-CG2 4.26Å; E870-V873 PolarHBondContact O-N 3.04Å; G871-V873 PolarHBondContact O-N 2.91Å; V873-N875 PolarHBondContact O-N 2.81Å; V873-K876 PolarHBondContact O-N 2.9Å; V873-K876 VanDerWaalsContact O-N 3.12Å; V873-L877 HydrophobicContact CG1-CD1 4.18Å; V873-L877 HydrophobicContact CG1-CG 4.41Å; V873-L877 WeakPolarHBondContact O-CG 3.41Å; V873-L877 PolarHBondContact O-N 3.25Å; V873-I978 HydrophobicContact CB-CD1 4.44Å; V873-I978 HydrophobicContact CG2-CD1 3.98Å; V873-F987 HydrophobicContact CG1-CB 4.13Å; V873-F987 HydrophobicContact CG1-CD1 3.93Å; V873-F987 HydrophobicContact CG1-CD2 3.9Å; V873-F987 HydrophobicContact CG1-CE1 4.31Å; V873-F987 HydrophobicContact CG1-CE2 4.3Å; V873-F987 HydrophobicContact CG1-CG 3.71Å; V873-F987 HydrophobicContact CG1-CZ 4.48Å; V873-F987 HydrophobicContact CG2-CD1 4.47Å; V873-V1002 HydrophobicContact CG2-CG1 3.91Å; V873-V1002 HydrophobicContact CG2-CG2 4.32Å
874	M	92.1	Very high	90	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-43.6	177.8	-175.8	57.6	88	0	0	111.9	F865 F866 E870 G871 K876 L877 L878 F883 I1014	F865-M874 HydrophobicContact CE1-CE 4.4Å; F865-M874 HydrophobicContact CE1-CG 4.48Å; F865-M874 HydrophobicContact CE2-CE 3.8Å; F865-M874 HydrophobicContact CZ-CE 3.54Å; F865-M874 HydrophobicContact CZ-CG 4.23Å; F865-M874 HydrophobicContact CZ-SD 4.38Å; F866-M874 HydrophobicContact CB-CE 4.08Å; F866-M874 HydrophobicContact CD1-CB 4.35Å; F866-M874 HydrophobicContact CD1-CE 3.81Å; F866-M874 HydrophobicContact CG-CE 4.45Å; E870-M874 PolarHBondContact O-N 2.9Å; G871-M874 PolarHBondContact O-N 2.82Å; M874-K876 VanDerWaalsContact C-N 3.27Å; M874-K876 PolarHBondContact O-N 3.05Å; M874-L877 PolarHBondContact O-N 3.17Å; M874-L877 VanDerWaalsContact O-N 3.16Å; M874-L878 HydrophobicContact CG-CD1 4.45Å; M874-L878 WeakPolarHBondContact O-CG 3.48Å; M874-L878 PolarHBondContact O-N 3.38Å; M874-F883 HydrophobicContact SD-CB 4.41Å; M874-F883 HydrophobicContact SD-CD2 4.49Å; M874-F883 HydrophobicContact SD-CG 4.26Å; M874-I1014 HydrophobicContact CB-CD1 4.17Å; M874-I1014 HydrophobicContact CG-CD1 4.07Å
875	N	91	Very high	90	Very high	54 Å²	54	39.9 Å²	39.9	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-56.9	-41.4	173.8	-170.2	9.2	0	0	0	111.6	G871 V873 L878 Q879 I1014	G871-N875 VanDerWaalsContact O-CB 3.31Å; G871-N875 WeakPolarHBondContact O-CB 3.37Å; G871-N875 PolarHBondContact O-N 3.44Å; V873-N875 PolarHBondContact O-N 2.81Å; N875-L878 PolarHBondContact O-N 2.88Å; N875-Q879 WeakPolarHBondContact O-CG 3.35Å; N875-Q879 PolarHBondContact O-N 3.43Å; N875-I1014 HydrophobicContact CB-CD1 4.06Å
876	K	90.6	Very high	89.9	Confident	65 Å²	65	40.7 Å²	40.7	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-68.7	-38.7	177.4	-163.9	54.9	166.4	-175.7	0	112.7	A872 V873 M874 L878 Q879 M880 I978 F987	A872-K876 PolarHBondContact O-N 3.12Å; V873-K876 PolarHBondContact O-N 2.9Å; V873-K876 VanDerWaalsContact O-N 3.12Å; M874-K876 VanDerWaalsContact C-N 3.27Å; M874-K876 PolarHBondContact O-N 3.05Å; K876-L878 VanDerWaalsContact C-N 3.31Å; K876-L878 PolarHBondContact O-N 3.35Å; K876-Q879 PolarHBondContact O-N 3.25Å; K876-M880 HydrophobicContact CG-SD 4.12Å; K876-M880 WeakPolarHBondContact O-CB 3.34Å; K876-M880 VanDerWaalsContact O-CG 3.28Å; K876-M880 WeakPolarHBondContact O-CG 3.5Å; K876-M880 PolarHBondContact O-N 3.01Å; K876-I978 HydrophobicContact CB-CD1 4.21Å; K876-I978 HydrophobicContact CB-CG1 4.19Å; K876-I978 HydrophobicContact CG-CG1 4.2Å; K876-F987 HydrophobicContact CB-CE1 3.93Å; K876-F987 HydrophobicContact CB-CZ 4.12Å; K876-F987 HydrophobicContact CG-CE1 3.74Å; K876-F987 HydrophobicContact CG-CZ 3.9Å
877	L	90.9	Very high	89.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-36.8	174.5	-71.4	171.9	0	0	0	112.4	F866 V873 M874 M880 G881 S882 F883 F987 I989	F866-L877 HydrophobicContact CE1-CD1 4.33Å; V873-L877 HydrophobicContact CG1-CD1 4.18Å; V873-L877 HydrophobicContact CG1-CG 4.41Å; V873-L877 WeakPolarHBondContact O-CG 3.41Å; V873-L877 PolarHBondContact O-N 3.25Å; M874-L877 PolarHBondContact O-N 3.17Å; M874-L877 VanDerWaalsContact O-N 3.16Å; L877-M880 PolarHBondContact O-N 2.97Å; L877-G881 PolarHBondContact O-N 3.4Å; L877-S882 PolarHBondContact O-N 3.13Å; L877-F883 HydrophobicContact CB-CD2 4.17Å; L877-F883 HydrophobicContact CD1-CD2 4.21Å; L877-F883 HydrophobicContact CD1-CE2 4.28Å; L877-F883 PolarHBondContact O-N 3.15Å; L877-F987 HydrophobicContact CD2-CE2 3.67Å; L877-F987 HydrophobicContact CD2-CZ 4.24Å; L877-F987 HydrophobicContact CG-CE2 4.2Å; L877-F987 HydrophobicContact CG-CZ 4.48Å; L877-I989 HydrophobicContact CD1-CD1 4.25Å; L877-I989 HydrophobicContact CD2-CB 4.48Å; L877-I989 HydrophobicContact CD2-CD1 4.24Å; L877-I989 HydrophobicContact CD2-CG2 3.78Å
878	L	90.9	Very high	89.5	Confident	42 Å²	42	44 Å²	44	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-47.1	172.7	-66.4	169.5	0	0	0	111.6	M874 N875 K876 M880 G881 F883 R885 F965 I1014	M874-L878 HydrophobicContact CG-CD1 4.45Å; M874-L878 WeakPolarHBondContact O-CG 3.48Å; M874-L878 PolarHBondContact O-N 3.38Å; N875-L878 PolarHBondContact O-N 2.88Å; K876-L878 VanDerWaalsContact C-N 3.31Å; K876-L878 PolarHBondContact O-N 3.35Å; L878-M880 PolarHBondContact O-N 2.91Å; L878-G881 PolarHBondContact O-N 2.93Å; L878-F883 HydrophobicContact CD2-CB 3.92Å; L878-R885 HydrophobicContact CD2-CB 4.39Å; L878-F965 HydrophobicContact CD1-CE1 3.88Å; L878-F965 HydrophobicContact CD2-CD1 3.83Å; L878-F965 HydrophobicContact CD2-CE1 3.91Å; L878-I1014 HydrophobicContact CD1-CD1 4.14Å
879	Q	90.3	Very high	89.3	Confident	124 Å²	124	43.5 Å²	43.5	58%	0.579	22%	0.22	S	C	*	.	H	α-helix	trans	-60.4	-33.8	175.6	-70.7	173.8	15.2	0	0	112.9	N875 K876 G881	N875-Q879 WeakPolarHBondContact O-CG 3.35Å; N875-Q879 PolarHBondContact O-N 3.43Å; K876-Q879 PolarHBondContact O-N 3.25Å; Q879-G881 VanDerWaalsContact C-N 3.28Å
880	M	88.6	Confident	89.1	Confident	60 Å²	60	43 Å²	43	30%	0.296	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.2	177	-68.9	173.5	71.1	0	0	113.4	K876 L877 L878 S882 N974 M975 F987	K876-M880 HydrophobicContact CG-SD 4.12Å; K876-M880 WeakPolarHBondContact O-CB 3.34Å; K876-M880 VanDerWaalsContact O-CG 3.28Å; K876-M880 WeakPolarHBondContact O-CG 3.5Å; K876-M880 PolarHBondContact O-N 3.01Å; L877-M880 PolarHBondContact O-N 2.97Å; L878-M880 PolarHBondContact O-N 2.91Å; M880-S882 PolarHBondContact O-N 2.88Å; M880-N974 HydrophobicContact CE-CB 4Å; M880-M975 WeakPolarHBondContact CE-O 3.11Å; M880-F987 HydrophobicContact SD-CZ 4Å
881	G	86.9	Confident	88.8	Confident	37 Å²	37	45.4 Å²	45.4	38%	0.381	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	15.1	-176.1	0	0	0	0	0	114.5	L877 L878 Q879 F883	L877-G881 PolarHBondContact O-N 3.4Å; L878-G881 PolarHBondContact O-N 2.93Å; Q879-G881 VanDerWaalsContact C-N 3.28Å; G881-F883 VanDerWaalsContact C-N 3.33Å
882	S	88.3	Confident	88.3	Confident	7 Å²	7	45.8 Å²	45.8	5%	0.049	22%	0.221	C	C	.	.	S	Bend	trans	-71	-36	176.6	-45.8	0	0	0	0	111	L877 M880 S967 E968 N974	L877-S882 PolarHBondContact O-N 3.13Å; M880-S882 PolarHBondContact O-N 2.88Å; S882-S967 WeakPolarHBondContact O-CA 3.32Å; S882-E968 PolarHBondContact O-N 2.93Å; S882-N974 PolarHBondContact OG-ND2 2.9Å
883	F	90.1	Very high	87.9	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.4	169.1	-81.3	-99.7	0	0	0	108.9	I847 M874 L877 L878 G881 F965 V966 I989	I847-F883 HydrophobicContact CD1-CE2 4.25Å; I847-F883 HydrophobicContact CD1-CZ 3.89Å; M874-F883 HydrophobicContact SD-CB 4.41Å; M874-F883 HydrophobicContact SD-CD2 4.49Å; M874-F883 HydrophobicContact SD-CG 4.26Å; L877-F883 HydrophobicContact CB-CD2 4.17Å; L877-F883 HydrophobicContact CD1-CD2 4.21Å; L877-F883 HydrophobicContact CD1-CE2 4.28Å; L877-F883 PolarHBondContact O-N 3.15Å; L878-F883 HydrophobicContact CD2-CB 3.92Å; G881-F883 VanDerWaalsContact C-N 3.33Å; F883-F965 HydrophobicContact CD1-CB 4.48Å; F883-V966 CarbonylContact C-O 3.57Å; F883-V966 WeakPolarHBondContact CA-O 3.47Å; F883-I989 HydrophobicContact CE2-CD1 4Å
884	K	90.2	Very high	87.3	Confident	138 Å²	138	48.2 Å²	48.2	60%	0.6	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.3	173.2	-174.4	-176.8	179.2	-172.1	0	108.6	V966	K884-V966 PolarHBondContact N-O 3.45Å; K884-V966 PolarHBondContact O-N 3.12Å; K884-V966 VanDerWaalsContact O-N 3.13Å
885	R	89.7	Confident	86.8	Confident	165 Å²	165	48.8 Å²	48.8	62%	0.623	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.3	166.3	-173.3	174.4	67	-176.1	3	108.8	L878 P963 F965	L878-R885 HydrophobicContact CD2-CB 4.39Å; R885-P963 HydrophobicContact CG-CB 4.13Å; R885-F965 HydrophobicContact CB-CD1 4.12Å; R885-F965 HydrophobicContact CB-CE1 3.76Å; R885-F965 HydrophobicContact CG-CD1 4.34Å; R885-F965 HydrophobicContact CG-CE1 3.72Å; R885-F965 HydrophobicContact CG-CZ 4.15Å
886	V	87.9	Confident	86.1	Confident	20 Å²	20	53.6 Å²	53.6	12%	0.121	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126	173.6	-178.1	0	0	0	0	106.7	T577 L888 A964 V966	T577-V886 HydrophobicContact CG2-CG1 4.46Å; V886-L888 HydrophobicContact CG1-CD2 4.02Å; V886-L888 HydrophobicContact CG1-CG 4.4Å; V886-A964 PolarHBondContact N-O 3.22Å; V886-A964 PolarHBondContact O-N 3.16Å; V886-V966 HydrophobicContact CG2-CG2 4.38Å
887	T	87.1	Confident	85.1	Confident	64 Å²	64	53.4 Å²	53.4	39%	0.393	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.3	173.1	46.4	0	0	0	0	108.6
888	L	85.9	Confident	83.6	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.6	176	-63	177.7	0	0	0	109.6	W553 V586 V886 E961 Y962 A964	W553-L888 HydrophobicContact CZ2-CD2 4.1Å; V586-L888 HydrophobicContact CG2-CD1 3.86Å; V886-L888 HydrophobicContact CG1-CD2 4.02Å; V886-L888 HydrophobicContact CG1-CG 4.4Å; L888-E961 WeakPolarHBondContact O-CA 3.42Å; L888-Y962 HydrophobicContact CB-CD1 4.35Å; L888-Y962 HydrophobicContact CB-CD2 4.2Å; L888-Y962 HydrophobicContact CB-CE1 3.91Å; L888-Y962 HydrophobicContact CB-CE2 3.75Å; L888-Y962 HydrophobicContact CB-CG 4.48Å; L888-Y962 HydrophobicContact CD1-CD2 4.49Å; L888-Y962 HydrophobicContact CD1-CE2 3.63Å; L888-Y962 HydrophobicContact CG-CE2 4.28Å; L888-Y962 PolarHBondContact N-O 3.35Å; L888-Y962 PolarHBondContact O-N 3.43Å; L888-A964 HydrophobicContact CD1-CB 3.88Å; L888-A964 HydrophobicContact CG-CB 4.42Å
889	Y	86	Confident	81.4	Confident	67 Å²	67	60.5 Å²	60.5	26%	0.263	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.2	-177.1	-63.3	-74.4	0	0	0	110.3	W553 Y891 T960 E961 I1021	W553-Y889 HydrophobicContact CD2-CD2 4.04Å; W553-Y889 AromaticContact CE3-CD2 3.78Å; W553-Y889 HydrophobicContact CE3-CD2 3.78Å; W553-Y889 HydrophobicContact CE3-CE2 4.15Å; W553-Y889 HydrophobicContact CH2-CD2 4.28Å; W553-Y889 HydrophobicContact CH2-CE2 4.4Å; W553-Y889 AromaticContact CZ3-CD2 3.9Å; W553-Y889 HydrophobicContact CZ3-CD2 3.9Å; W553-Y889 AromaticContact CZ3-CE2 3.91Å; W553-Y889 HydrophobicContact CZ3-CE2 3.91Å; Y889-Y891 HydrophobicContact CG-CE2 4.34Å; Y889-T960 WeakPolarHBondContact CA-O 3.49Å; Y889-E961 HydrophobicContact CD1-CB 3.74Å; Y889-E961 HydrophobicContact CE1-CB 3.63Å; Y889-E961 WeakPolarHBondContact CE1-OE2 3.41Å; Y889-I1021 HydrophobicContact CD1-CD1 3.82Å; Y889-I1021 HydrophobicContact CE1-CD1 4.12Å
890	D	84.4	Confident	79.1	Confident	26 Å²	26	63.5 Å²	63.5	14%	0.139	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	93.7	170.3	-171.8	-8.6	0	0	0	109.9	R529 Q892 A893 T960 Y962	R529-D890 IonicContact CZ-OD1 2.73Å; R529-D890 IonicContact CZ-OD2 3.39Å; R529-D890 IonicContact NH1-OD1 3.59Å; R529-D890 IonicContact NH1-OD2 2.66Å; R529-D890 PolarHBondContact NH1-OD2 2.03Å; R529-D890 IonicContact NH2-OD1 3.99Å; R529-D890 PolarHBondContact NH2-OD1 3.45Å; R529-D890 IonicContact NH2-OD2 3.54Å; R529-D890 PolarHBondContact NH2-OD2 3.01Å; D890-Q892 PolarHBondContact O-N 3.38Å; D890-Q892 VanDerWaalsContact OD1-C 3.29Å; D890-Q892 WeakPolarHBondContact OD1-CA 3.4Å; D890-Q892 PolarHBondContact OD1-N 2.89Å; D890-A893 HydrophobicContact CB-CB 4.12Å; D890-A893 WeakPolarHBondContact O-CB 3.32Å; D890-A893 PolarHBondContact O-N 2.89Å; D890-A893 PolarHBondContact OD1-N 3.37Å; D890-T960 PolarHBondContact N-O 3.02Å; D890-T960 PolarHBondContact O-N 2.82Å; D890-Y962 HydrophobicContact CB-CE1 4.2Å
891	Y	83.1	Confident	76.5	Confident	62 Å²	62	65.2 Å²	65.2	24%	0.243	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-0.8	174.3	-62.1	-76.8	0	0	0	113.7	E550 W553 Y889 D959	E550-Y891 HydrophobicContact CB-CD2 4.23Å; E550-Y891 HydrophobicContact CB-CG 4.23Å; E550-Y891 HydrophobicContact CG-CG 4.34Å; E550-Y891 WeakPolarHBondContact O-CD2 3.45Å; W553-Y891 HydrophobicContact CB-CE2 4.4Å; Y889-Y891 HydrophobicContact CG-CE2 4.34Å; Y891-D959 HydrophobicContact CD1-CB 3.98Å; Y891-D959 VanDerWaalsContact CD1-CG 3.46Å; Y891-D959 HydrophobicContact CE1-CB 4.38Å
892	Q	80.3	Confident	74.1	Confident	16 Å²	16	69 Å²	69	8%	0.075	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	19	176.7	-58.2	174.7	49.1	0	0	111.1	D527 K540 V546 D890	D527-Q892 PolarHBondContact O-NE2 3.3Å; K540-Q892 WeakPolarHBondContact CE-O 3.37Å; K540-Q892 PolarHBondContact NZ-O 3.5Å; V546-Q892 HydrophobicContact CG1-CG 4.42Å; V546-Q892 HydrophobicContact CG2-CG 4.43Å; D890-Q892 PolarHBondContact O-N 3.38Å; D890-Q892 VanDerWaalsContact OD1-C 3.29Å; D890-Q892 WeakPolarHBondContact OD1-CA 3.4Å; D890-Q892 PolarHBondContact OD1-N 2.89Å
893	A	81.4	Confident	71.4	Confident	12 Å²	12	74.5 Å²	74.5	10%	0.099	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	177.5	-179.9	0	0	0	0	0	112.4	D890 C958 T960	D890-A893 HydrophobicContact CB-CB 4.12Å; D890-A893 WeakPolarHBondContact O-CB 3.32Å; D890-A893 PolarHBondContact O-N 2.89Å; D890-A893 PolarHBondContact OD1-N 3.37Å; A893-C958 CarbonylContact C-O 3.59Å; A893-C958 WeakPolarHBondContact CB-O 3.32Å; A893-C958 PolarHBondContact N-O 3.19Å; A893-C958 PolarHBondContact O-N 3.11Å; A893-T960 HydrophobicContact CB-CG2 3.67Å; A893-T960 VanDerWaalsContact CB-OG1 3.26Å; A893-T960 WeakPolarHBondContact CB-OG1 3.32Å
894	L	77.9	Confident	68.7	Low	45 Å²	45	79.7 Å²	79.7	24%	0.236	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	117.8	-174.7	-67.7	170.8	0	0	0	110	Y532 V956 C958	Y532-L894 HydrophobicContact CD1-CD1 3.32Å; Y532-L894 HydrophobicContact CD1-CD2 3.57Å; Y532-L894 HydrophobicContact CD1-CG 4.07Å; Y532-L894 HydrophobicContact CE1-CD1 4.03Å; Y532-L894 HydrophobicContact CE1-CD2 3.35Å; Y532-L894 HydrophobicContact CE1-CG 4.29Å; Y532-L894 HydrophobicContact CG-CD1 3.88Å; Y532-L894 HydrophobicContact CG-CD2 4.32Å; L894-V956 WeakPolarHBondContact CA-O 3.44Å; L894-C958 VanDerWaalsContact C-SG 3.5Å
895	C	81.2	Confident	66.1	Low	12 Å²	12	75.5 Å²	75.5	8%	0.081	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.6	180	-65.6	0	0	0	0	110.1	V897 Q955 V956 C958	C895-V897 PolarHBondContact O-N 2.91Å; C895-Q955 WeakPolarHBondContact O-CA 3.42Å; C895-V956 PolarHBondContact N-O 2.96Å; C895-V956 PolarHBondContact O-N 3.27Å; C895-C958 VanDerWaalsContact CA-SG 3.57Å; C895-C958 HydrophobicContact CB-CB 3.55Å; C895-C958 WeakPolarHBondContact CB-SG 3.35Å; C895-C958 PolarHBondContact N-SG 3.37Å; C895-C958 WeakPolarHBondContact SG-CB 3.4Å; C895-C958 CovalentContact SG-SG 2.02Å; C895-C958 PolarHBondContact SG-SG 3.17Å
896	W	76.9	Confident	63.6	Low	154 Å²	154	76.2 Å²	76.2	58%	0.583	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	100.8	178.3	-66	104	0	0	0	109.2	H953 Q955	W896-H953 HydrophobicContact CE3-CB 3.58Å; W896-H953 HydrophobicContact CZ3-CB 3.8Å; W896-Q955 HydrophobicContact CD2-CG 3.94Å; W896-Q955 HydrophobicContact CE3-CG 3.44Å; W896-Q955 VanDerWaalsContact CE3-CG 3.44Å; W896-Q955 HydrophobicContact CH2-CG 3.87Å; W896-Q955 HydrophobicContact CZ2-CG 4.26Å; W896-Q955 HydrophobicContact CZ3-CG 3.42Å; W896-Q955 VanDerWaalsContact CZ3-CG 3.42Å
897	V	69.4	Low	61.1	Low	61 Å²	61	79.9 Å²	79.9	37%	0.37	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.3	170.4	168.8	0	0	0	0	109	C895 S899 M954 V956	C895-V897 PolarHBondContact O-N 2.91Å; V897-S899 PolarHBondContact O-N 3.25Å; V897-M954 PolarHBondContact N-O 3.22Å; V897-M954 PolarHBondContact O-N 3.41Å; V897-M954 VanDerWaalsContact O-N 3.16Å; V897-V956 HydrophobicContact CB-CG2 4Å; V897-V956 HydrophobicContact CG2-CG2 3.39Å
898	H	60	Low	59.2	Low	135 Å²	135	85.2 Å²	85.2	63%	0.625	47%	0.467	S	S	*	.			trans	-68.2	118.3	163	-64.6	-82	0	0	0	107.3	E900 H953	H898-E900 PolarHBondContact O-N 2.94Å; H898-H953 AromaticContact CE1-CE1 3.58Å; H898-H953 AromaticContact CE1-ND1 3.84Å; H898-H953 AromaticContact ND1-CE1 3.8Å; H898-H953 AromaticContact ND1-ND1 3.86Å
899	S	45	Very low	57.1	Low	56 Å²	56	91.3 Å²	91.3	39%	0.392	50%	0.499	S	S	.	.			trans	-62.6	105.8	167.9	63.1	0	0	0	0	107.5	V897 S901	V897-S899 PolarHBondContact O-N 3.25Å; S899-S901 VanDerWaalsContact C-N 3.26Å; S899-S901 PolarHBondContact O-N 3.03Å
900	E	41.4	Very low	55.3	Low	188 Å²	188	92.7 Å²	92.7	88%	0.879	51%	0.511	S	S	*	.			trans	-60.5	100	160.3	-70.1	-164.4	166.9	0	0	106.2	H898 S902	H898-E900 PolarHBondContact O-N 2.94Å; E900-S902 PolarHBondContact O-N 3.14Å
901	S	34.3	Very low	53.9	Low	96 Å²	96	96.5 Å²	96.5	67%	0.671	54%	0.537	S	S	*	.			trans	-55.6	118.7	162.6	50	0	0	0	0	105.5	S899 D903	S899-S901 VanDerWaalsContact C-N 3.26Å; S899-S901 PolarHBondContact O-N 3.03Å; S901-D903 PolarHBondContact O-N 3.09Å
902	S	35.5	Very low	52.6	Low	117 Å²	117	101.3 Å²	101.3	82%	0.818	56%	0.556	S	S	*	*			trans	-58.8	89.5	173.5	57.8	0	0	0	0	108	E900 S904	E900-S902 PolarHBondContact O-N 3.14Å; S902-S904 PolarHBondContact O-N 3.14Å
903	D	31.3	Very low	51.3	Low	121 Å²	121	108 Å²	108	65%	0.647	58%	0.584	S	S	*	*			trans	-75.6	101.5	-168.7	-161.6	0.2	0	0	0	107	S901 G905	S901-D903 PolarHBondContact O-N 3.09Å; D903-G905 PolarHBondContact O-N 2.98Å; D903-G905 PolarHBondContact OD1-N 3.02Å
904	S	34.1	Very low	50.1	Low	113 Å²	113	110.7 Å²	110.7	79%	0.79	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	14.8	174.8	46.7	0	0	0	0	112.5	S902 H906	S902-S904 PolarHBondContact O-N 3.14Å; S904-H906 VanDerWaalsContact C-N 3.32Å
905	G	35.3	Very low	49.7	Very low	50 Å²	50	114.8 Å²	114.8	52%	0.515	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-5.1	169.3	0	0	0	0	0	116	D903 T907	D903-G905 PolarHBondContact O-N 2.98Å; D903-G905 PolarHBondContact OD1-N 3.02Å; G905-T907 PolarHBondContact O-N 3.06Å; G905-T907 VanDerWaalsContact O-N 3.09Å
906	H	36.8	Very low	48.9	Very low	181 Å²	181	120.8 Å²	120.8	84%	0.838	65%	0.648	S	S	*	*			trans	-82.4	40	171.9	-79.1	-68.8	0	0	0	114.7	S904	S904-H906 VanDerWaalsContact C-N 3.32Å
907	T	35.3	Very low	48.1	Very low	96 Å²	96	116.1 Å²	116.1	59%	0.589	64%	0.643	S	S	*	*			trans	-108.3	95.9	150.6	47.7	0	0	0	0	109.5	G905 L909	G905-T907 PolarHBondContact O-N 3.06Å; G905-T907 VanDerWaalsContact O-N 3.09Å; T907-L909 VanDerWaalsContact C-N 3.26Å; T907-L909 PolarHBondContact O-N 2.91Å
908	L	47.4	Very low	48.1	Very low	177 Å²	177	115.4 Å²	115.4	93%	0.927	64%	0.643	S	S	*	*			trans	-63.2	87.8	164.8	-86.5	163.7	0	0	0	109.4
909	L	42.8	Very low	48.8	Very low	133 Å²	133	111.6 Å²	111.6	70%	0.696	63%	0.629	S	S	*	*			trans	-109.6	90.2	175.4	-79.6	170.4	0	0	0	110.7	T907	T907-L909 VanDerWaalsContact C-N 3.26Å; T907-L909 PolarHBondContact O-N 2.91Å
910	D	48	Very low	50	Low	96 Å²	96	116.2 Å²	116.2	51%	0.513	64%	0.642	S	S	.	*			trans	9.9	116.9	149.2	-157.8	-19.8	0	0	0	117.4	Y912 F913	D910-Y912 PolarHBondContact O-N 2.83Å; D910-Y912 WeakPolarHBondContact OD1-CD2 3.43Å; D910-Y912 PolarHBondContact OD1-N 3Å; D910-F913 PolarHBondContact O-N 2.93Å
911	P	53.3	Low	51.5	Low	105 Å²	105	114.8 Å²	114.8	68%	0.682	63%	0.629	S	S	*	*	H	α-helix	trans	-59	-16.8	-177.1	23.7	-35	0	0	0	115	F913 F915	P911-F913 VanDerWaalsContact C-N 3.31Å; P911-F913 PolarHBondContact O-N 3.32Å; P911-F915 PolarHBondContact O-N 3.07Å
912	Y	56.5	Low	53.5	Low	164 Å²	164	114.7 Å²	114.7	64%	0.643	62%	0.62	S	S	*	*	H	α-helix	trans	-62.3	-33.9	173.5	-80.9	-82.5	0	0	0	113.4	D910 F915 F916	D910-Y912 PolarHBondContact O-N 2.83Å; D910-Y912 WeakPolarHBondContact OD1-CD2 3.43Å; D910-Y912 PolarHBondContact OD1-N 3Å; Y912-F915 PolarHBondContact O-N 3.24Å; Y912-F916 WeakPolarHBondContact O-CD2 3.45Å; Y912-F916 PolarHBondContact O-N 3.28Å
913	F	54.2	Low	55.2	Low	155 Å²	155	114.4 Å²	114.4	68%	0.68	61%	0.609	S	S	*	*	H	α-helix	trans	-70.9	-37.1	-177.8	-123.3	-83.1	0	0	0	112.4	D910 P911 F915 F916 A917	D910-F913 PolarHBondContact O-N 2.93Å; P911-F913 VanDerWaalsContact C-N 3.31Å; P911-F913 PolarHBondContact O-N 3.32Å; F913-F915 VanDerWaalsContact C-N 3.34Å; F913-F916 PolarHBondContact O-N 3.33Å; F913-A917 VanDerWaalsContact O-CB 3.3Å; F913-A917 WeakPolarHBondContact O-CB 3.43Å; F913-A917 PolarHBondContact O-N 3Å
914	A	56	Low	57.1	Low	69 Å²	69	111.9 Å²	111.9	57%	0.57	60%	0.598	S	S	*	*	H	α-helix	trans	-63.6	-39.7	174.1	0	0	0	0	0	111.8	A917 A918	A914-A917 PolarHBondContact O-N 3.12Å; A914-A918 WeakPolarHBondContact O-CB 3.43Å; A914-A918 PolarHBondContact O-N 3.24Å
915	F	68.1	Low	58.5	Low	132 Å²	132	110.4 Å²	110.4	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-64.5	-47.3	175.5	-176	-99.3	0	0	0	112.2	P911 Y912 F913 A917 A918 V919	P911-F915 PolarHBondContact O-N 3.07Å; Y912-F915 PolarHBondContact O-N 3.24Å; F913-F915 VanDerWaalsContact C-N 3.34Å; F915-A917 PolarHBondContact O-N 3.49Å; F915-A918 PolarHBondContact O-N 2.8Å; F915-V919 HydrophobicContact CD1-CG2 4.28Å; F915-V919 HydrophobicContact CE1-CG2 3.92Å; F915-V919 HydrophobicContact CE2-CG2 4.4Å; F915-V919 HydrophobicContact CZ-CG2 3.98Å; F915-V919 WeakPolarHBondContact O-CG2 3.41Å; F915-V919 PolarHBondContact O-N 3.37Å
916	F	65.4	Low	59.8	Low	137 Å²	137	112.9 Å²	112.9	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-66.5	-34.9	177.1	-83.4	-69.6	0	0	0	113.1	Y912 F913 K920	Y912-F916 WeakPolarHBondContact O-CD2 3.45Å; Y912-F916 PolarHBondContact O-N 3.28Å; F913-F916 PolarHBondContact O-N 3.33Å; F916-K920 VanDerWaalsContact O-CB 3.23Å; F916-K920 WeakPolarHBondContact O-CB 3.42Å; F916-K920 PolarHBondContact O-N 2.89Å
917	A	60.1	Low	61.3	Low	57 Å²	57	108.6 Å²	108.6	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-65	-43.6	173	0	0	0	0	0	111.8	F913 A914 F915 K920 W921	F913-A917 VanDerWaalsContact O-CB 3.3Å; F913-A917 WeakPolarHBondContact O-CB 3.43Å; F913-A917 PolarHBondContact O-N 3Å; A914-A917 PolarHBondContact O-N 3.12Å; F915-A917 PolarHBondContact O-N 3.49Å; A917-K920 PolarHBondContact O-N 3.05Å; A917-W921 WeakPolarHBondContact O-CB 3.05Å; A917-W921 PolarHBondContact O-N 2.9Å
918	A	69.2	Low	62.5	Low	46 Å²	46	107.5 Å²	107.5	38%	0.38	56%	0.555	S	S	.	*	H	α-helix	trans	-64.2	-44.2	176	0	0	0	0	0	112.3	A914 F915 K920 W921 I922	A914-A918 WeakPolarHBondContact O-CB 3.43Å; A914-A918 PolarHBondContact O-N 3.24Å; F915-A918 PolarHBondContact O-N 2.8Å; A918-K920 PolarHBondContact O-N 3.27Å; A918-W921 PolarHBondContact O-N 2.81Å; A918-I922 WeakPolarHBondContact O-CB 3.05Å; A918-I922 VanDerWaalsContact O-CG1 3.28Å; A918-I922 WeakPolarHBondContact O-CG1 3.49Å; A918-I922 PolarHBondContact O-N 3.34Å
919	V	74.5	Confident	62.9	Low	55 Å²	55	105.7 Å²	105.7	33%	0.333	54%	0.54	S	S	.	.	H	α-helix	trans	-63	-41.8	175.4	170.3	0	0	0	0	111.2	F915 L923	F915-V919 HydrophobicContact CD1-CG2 4.28Å; F915-V919 HydrophobicContact CE1-CG2 3.92Å; F915-V919 HydrophobicContact CE2-CG2 4.4Å; F915-V919 HydrophobicContact CZ-CG2 3.98Å; F915-V919 WeakPolarHBondContact O-CG2 3.41Å; F915-V919 PolarHBondContact O-N 3.37Å; V919-L923 HydrophobicContact CG1-CD1 4.07Å; V919-L923 WeakPolarHBondContact O-CB 3.43Å; V919-L923 PolarHBondContact O-N 3.13Å
920	K	69.9	Low	63.5	Low	153 Å²	153	105.7 Å²	105.7	67%	0.665	54%	0.54	S	S	*	.	H	α-helix	trans	-64.8	-42.4	175.8	-174.1	179.8	178.7	-175.3	0	111.9	F916 A917 A918 L923 T924	F916-K920 VanDerWaalsContact O-CB 3.23Å; F916-K920 WeakPolarHBondContact O-CB 3.42Å; F916-K920 PolarHBondContact O-N 2.89Å; A917-K920 PolarHBondContact O-N 3.05Å; A918-K920 PolarHBondContact O-N 3.27Å; K920-L923 PolarHBondContact O-N 3.18Å; K920-T924 WeakPolarHBondContact O-CB 3.28Å; K920-T924 PolarHBondContact O-N 2.92Å; K920-T924 PolarHBondContact O-OG1 3.27Å
921	W	73.5	Confident	64	Low	158 Å²	158	106.4 Å²	106.4	60%	0.598	55%	0.548	S	S	*	.	H	α-helix	trans	-61.5	-51.4	175.4	177.8	67.1	0	0	0	111	A917 A918 L923 T924 E925	A917-W921 WeakPolarHBondContact O-CB 3.05Å; A917-W921 PolarHBondContact O-N 2.9Å; A918-W921 PolarHBondContact O-N 2.81Å; W921-L923 VanDerWaalsContact C-N 3.3Å; W921-L923 PolarHBondContact O-N 2.98Å; W921-T924 PolarHBondContact O-N 2.9Å; W921-E925 HydrophobicContact CD2-CG 4.05Å; W921-E925 VanDerWaalsContact CE2-CG 3.46Å; W921-E925 HydrophobicContact CG-CG 4.32Å; W921-E925 HydrophobicContact CZ2-CG 3.74Å; W921-E925 VanDerWaalsContact NE1-CG 3.33Å; W921-E925 PolarHBondContact NE1-OE1 3.01Å; W921-E925 WeakPolarHBondContact O-CG 3.31Å; W921-E925 PolarHBondContact O-N 2.84Å
922	I	75.5	Confident	63.6	Low	94 Å²	94	108.6 Å²	108.6	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-55.4	-44	176.2	-69	166.3	0	0	0	111.5	A918 T924 L926	A918-I922 WeakPolarHBondContact O-CB 3.05Å; A918-I922 VanDerWaalsContact O-CG1 3.28Å; A918-I922 WeakPolarHBondContact O-CG1 3.49Å; A918-I922 PolarHBondContact O-N 3.34Å; I922-T924 VanDerWaalsContact C-N 3.33Å; I922-T924 PolarHBondContact O-N 3.4Å; I922-L926 VanDerWaalsContact O-CB 3.23Å; I922-L926 WeakPolarHBondContact O-CB 3.35Å; I922-L926 PolarHBondContact O-N 3.37Å
923	L	71.3	Confident	63.2	Low	111 Å²	111	108.6 Å²	108.6	58%	0.581	55%	0.552	S	S	*	*	H	α-helix	trans	-64.3	-35.9	176.2	-99	149.9	0	0	0	113	V919 K920 W921 V927	V919-L923 HydrophobicContact CG1-CD1 4.07Å; V919-L923 WeakPolarHBondContact O-CB 3.43Å; V919-L923 PolarHBondContact O-N 3.13Å; K920-L923 PolarHBondContact O-N 3.18Å; W921-L923 VanDerWaalsContact C-N 3.3Å; W921-L923 PolarHBondContact O-N 2.98Å; L923-V927 WeakPolarHBondContact O-CG2 3.16Å; L923-V927 PolarHBondContact O-N 3.34Å
924	T	71.8	Confident	62.4	Low	68 Å²	68	108.6 Å²	108.6	42%	0.417	56%	0.56	S	S	.	*	H	α-helix	trans	-73.9	-44.3	-179.5	-48.7	0	0	0	0	110.4	K920 W921 I922 L926 V927 I928	K920-T924 WeakPolarHBondContact O-CB 3.28Å; K920-T924 PolarHBondContact O-N 2.92Å; K920-T924 PolarHBondContact O-OG1 3.27Å; W921-T924 PolarHBondContact O-N 2.9Å; I922-T924 VanDerWaalsContact C-N 3.33Å; I922-T924 PolarHBondContact O-N 3.4Å; T924-L926 PolarHBondContact O-N 3.23Å; T924-V927 PolarHBondContact O-N 2.88Å; T924-I928 HydrophobicContact CG2-CD1 4.04Å; T924-I928 WeakPolarHBondContact O-CG1 3.39Å; T924-I928 PolarHBondContact O-N 3.25Å
925	E	63.1	Low	62.1	Low	81 Å²	81	112.1 Å²	112.1	38%	0.379	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-37.6	173.7	-65.7	-58.2	157.1	0	0	112.2	W921 V927 I928 F929	W921-E925 HydrophobicContact CD2-CG 4.05Å; W921-E925 VanDerWaalsContact CE2-CG 3.46Å; W921-E925 HydrophobicContact CG-CG 4.32Å; W921-E925 HydrophobicContact CZ2-CG 3.74Å; W921-E925 VanDerWaalsContact NE1-CG 3.33Å; W921-E925 PolarHBondContact NE1-OE1 3.01Å; W921-E925 WeakPolarHBondContact O-CG 3.31Å; W921-E925 PolarHBondContact O-N 2.84Å; E925-V927 VanDerWaalsContact C-N 3.3Å; E925-V927 PolarHBondContact O-N 3.21Å; E925-I928 PolarHBondContact O-N 3.22Å; E925-F929 WeakPolarHBondContact O-CB 3.33Å; E925-F929 PolarHBondContact O-N 3.48Å
926	L	64.2	Low	60.9	Low	102 Å²	102	117.1 Å²	117.1	53%	0.534	59%	0.585	S	S	.	*	H	α-helix	trans	-69	-30.7	177.9	-154	155.5	0	0	0	111.6	I922 T924 L930	I922-L926 VanDerWaalsContact O-CB 3.23Å; I922-L926 WeakPolarHBondContact O-CB 3.35Å; I922-L926 PolarHBondContact O-N 3.37Å; T924-L926 PolarHBondContact O-N 3.23Å; L926-L930 HydrophobicContact CD2-CD1 3.97Å; L926-L930 WeakPolarHBondContact O-CD1 3.42Å; L926-L930 WeakPolarHBondContact O-CG 3.3Å; L926-L930 PolarHBondContact O-N 3.34Å
927	V	66.5	Low	59.6	Low	91 Å²	91	116.2 Å²	116.2	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-72	-41	170.1	171.4	0	0	0	0	111.9	L923 T924 E925 L930 V931	L923-V927 WeakPolarHBondContact O-CG2 3.16Å; L923-V927 PolarHBondContact O-N 3.34Å; T924-V927 PolarHBondContact O-N 2.88Å; E925-V927 VanDerWaalsContact C-N 3.3Å; E925-V927 PolarHBondContact O-N 3.21Å; V927-L930 PolarHBondContact O-N 3.45Å; V927-V931 WeakPolarHBondContact O-CG2 3.43Å; V927-V931 PolarHBondContact O-N 3.09Å
928	I	60.4	Low	58.6	Low	73 Å²	73	125 Å²	125	37%	0.374	62%	0.616	S	S	.	*	H	α-helix	trans	-68.6	-42.4	178.1	-68	166.2	0	0	0	111.1	T924 E925 L930 V931 E932	T924-I928 HydrophobicContact CG2-CD1 4.04Å; T924-I928 WeakPolarHBondContact O-CG1 3.39Å; T924-I928 PolarHBondContact O-N 3.25Å; E925-I928 PolarHBondContact O-N 3.22Å; I928-L930 PolarHBondContact O-N 3.28Å; I928-V931 PolarHBondContact O-N 2.78Å; I928-E932 PolarHBondContact O-N 2.89Å
929	F	55.9	Low	57.2	Low	139 Å²	139	134.2 Å²	134.2	61%	0.61	64%	0.642	S	S	*	*	H	α-helix	trans	-60.9	-26.9	175.8	-177.2	-98.4	0	0	0	113.4	E925 F933	E925-F929 WeakPolarHBondContact O-CB 3.33Å; E925-F929 PolarHBondContact O-N 3.48Å; F929-F933 HydrophobicContact CZ-CE2 4.39Å
930	L	56.7	Low	55.3	Low	133 Å²	133	139.2 Å²	139.2	70%	0.696	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-11.7	172.8	-75.3	171.3	0	0	0	113.8	L926 V927 I928	L926-L930 HydrophobicContact CD2-CD1 3.97Å; L926-L930 WeakPolarHBondContact O-CD1 3.42Å; L926-L930 WeakPolarHBondContact O-CG 3.3Å; L926-L930 PolarHBondContact O-N 3.34Å; V927-L930 PolarHBondContact O-N 3.45Å; I928-L930 PolarHBondContact O-N 3.28Å
931	V	58.7	Low	53.5	Low	112 Å²	112	137 Å²	137	68%	0.679	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-34.6	-177.6	172.8	0	0	0	0	112.2	V927 I928	V927-V931 WeakPolarHBondContact O-CG2 3.43Å; V927-V931 PolarHBondContact O-N 3.09Å; I928-V931 PolarHBondContact O-N 2.78Å
932	E	44.6	Very low	51.4	Low	150 Å²	150	136.7 Å²	136.7	70%	0.701	68%	0.68	S	S	*	*			trans	-113.5	59	-174.2	-64	-165	145.8	0	0	113.7	I928 N934	I928-E932 PolarHBondContact O-N 2.89Å; E932-N934 VanDerWaalsContact C-N 3.31Å; E932-N934 PolarHBondContact O-N 3.38Å
933	F	47	Very low	49.4	Very low	164 Å²	164	140 Å²	140	72%	0.719	70%	0.698	S	S	*	*			trans	-78.5	77	170.1	-142.2	-82.4	0	0	0	111.2	F929	F929-F933 HydrophobicContact CZ-CE2 4.39Å
934	N	37.4	Very low	47.6	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	71%	0.71	S	S	*	*			trans	-148.4	130.6	163.2	-134.4	-27.3	0	0	0	113.9	E932 Y936	E932-N934 VanDerWaalsContact C-N 3.31Å; E932-N934 PolarHBondContact O-N 3.38Å; N934-Y936 PolarHBondContact O-N 3.27Å
935	L	51.3	Low	45.6	Very low	143 Å²	143	142 Å²	142	75%	0.749	72%	0.724	S	S	*	*			trans	-86.7	97.8	-170.5	-76.2	140.3	0	0	0	111.9
936	Y	42.8	Very low	43.9	Very low	237 Å²	237	148.3 Å²	148.3	93%	0.929	75%	0.75	S	S	*	*			trans	-168.7	82.1	149.3	-131.7	-93.9	0	0	0	115	N934	N934-Y936 PolarHBondContact O-N 3.27Å
937	S	36.4	Very low	42.2	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	76%	0.756	S	S	*	*			trans	-175.2	72.2	146.7	-165.6	0	0	0	0	111.4
938	W	39.2	Very low	40.5	Very low	241 Å²	241	152.3 Å²	152.3	91%	0.913	77%	0.774	S	S	*	*			trans	-116.5	24.1	177.9	-148.4	-9.5	0	0	0	112.9
939	W	40.8	Very low	39.3	Very low	241 Å²	241	159.5 Å²	159.5	91%	0.913	80%	0.796	S	S	*	*	S	Bend	trans	-133.7	38.4	-168.4	-86.3	63.2	0	0	0	112.9
940	N	34.7	Very low	38.2	Very low	159 Å²	159	157 Å²	157	85%	0.85	80%	0.801	S	S	*	*			trans	-153.9	99.9	155.5	-103	-17.4	0	0	0	109.9
941	S	32.2	Very low	37.3	Very low	106 Å²	106	152.7 Å²	152.7	74%	0.741	79%	0.789	S	S	*	*			trans	-110.8	97	169.3	57.4	0	0	0	0	108.6	L943	S941-L943 PolarHBondContact O-N 3.43Å; S941-L943 VanDerWaalsContact O-N 3.07Å
942	D	29.6	Very low	36.7	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	79%	0.789	S	S	*	*			trans	-68.8	105.5	168.5	-88.3	-39.1	0	0	0	109.3	T944	D942-T944 PolarHBondContact O-N 2.88Å
943	L	33.3	Very low	37.1	Very low	163 Å²	163	150 Å²	150	85%	0.853	78%	0.778	S	S	*	*			trans	-75.9	85.8	-178.7	-156.8	93	0	0	0	109.5	S941 A945	S941-L943 PolarHBondContact O-N 3.43Å; S941-L943 VanDerWaalsContact O-N 3.07Å; L943-A945 PolarHBondContact O-N 3.1Å
944	T	32.2	Very low	37.7	Very low	136 Å²	136	146.7 Å²	146.7	83%	0.834	77%	0.766	S	S	*	*			trans	-71.5	91	175	24.8	0	0	0	0	110.7	D942 K946	D942-T944 PolarHBondContact O-N 2.88Å; T944-K946 PolarHBondContact O-N 2.92Å
945	A	30.2	Very low	39.1	Very low	86 Å²	86	141 Å²	141	71%	0.711	73%	0.734	S	S	*	*			trans	-62.8	119.5	170.6	0	0	0	0	0	110.2	L943 A947	L943-A945 PolarHBondContact O-N 3.1Å; A945-A947 VanDerWaalsContact C-N 3.31Å; A945-A947 PolarHBondContact O-N 2.86Å
946	K	28.5	Very low	40.1	Very low	214 Å²	214	136 Å²	136	93%	0.93	71%	0.71	S	S	*	*			trans	-68.5	90.5	166.7	-95.2	-173.2	172.5	-177.1	0	109.4	T944 Q948	T944-K946 PolarHBondContact O-N 2.92Å; K946-Q948 PolarHBondContact O-N 3.08Å
947	A	28.6	Very low	41.7	Very low	80 Å²	80	127.2 Å²	127.2	66%	0.661	68%	0.682	S	S	*	*			trans	-69.4	106.6	162.2	0	0	0	0	0	108.4	A945 R949	A945-A947 VanDerWaalsContact C-N 3.31Å; A945-A947 PolarHBondContact O-N 2.86Å; A947-R949 PolarHBondContact O-N 2.89Å
948	Q	30.8	Very low	43.8	Very low	197 Å²	197	122.2 Å²	122.2	92%	0.921	65%	0.646	S	S	*	*			trans	-72.8	79.5	169.3	-166.1	164.3	-3.5	0	0	107.9	K946 A950	K946-Q948 PolarHBondContact O-N 3.08Å; Q948-A950 PolarHBondContact O-N 2.94Å
949	R	33.4	Very low	46	Very low	224 Å²	224	112.1 Å²	112.1	85%	0.845	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-59.8	123.2	170.9	-74.3	-176.8	175.6	174	-1.1	107.3	A947 G951	A947-R949 PolarHBondContact O-N 2.89Å; R949-G951 PolarHBondContact O-N 3.14Å
950	A	33.9	Very low	48.2	Very low	85 Å²	85	101.1 Å²	101.1	70%	0.702	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-51	133.7	155.2	0	0	0	0	0	107.3	Q948	Q948-A950 PolarHBondContact O-N 2.94Å
951	G	37	Very low	50.8	Low	44 Å²	44	97.3 Å²	97.3	45%	0.454	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-52.7	136	178.9	0	0	0	0	0	109.3	R949 H953	R949-G951 PolarHBondContact O-N 3.14Å; G951-H953 PolarHBondContact O-N 3.06Å
952	P	46.1	Very low	53.4	Low	103 Å²	103	93.6 Å²	93.6	67%	0.669	52%	0.517	S	S	*	.			trans	-61.4	109	-178.6	25.5	-32.8	0	0	0	108.7	M954	P952-M954 PolarHBondContact O-N 2.8Å
953	H	52.9	Low	56.3	Low	101 Å²	101	87.2 Å²	87.2	47%	0.468	48%	0.484	S	S	.	.			trans	-57.6	109.5	173.2	-68.8	-94.7	0	0	0	108	W896 H898 G951	W896-H953 HydrophobicContact CE3-CB 3.58Å; W896-H953 HydrophobicContact CZ3-CB 3.8Å; H898-H953 AromaticContact CE1-CE1 3.58Å; H898-H953 AromaticContact CE1-ND1 3.84Å; H898-H953 AromaticContact ND1-CE1 3.8Å; H898-H953 AromaticContact ND1-ND1 3.86Å; G951-H953 PolarHBondContact O-N 3.06Å
954	M	60	Low	58.9	Low	95 Å²	95	79.5 Å²	79.5	47%	0.468	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.8	-175.1	-169.8	164.4	70.2	0	0	108.9	V897 P952 V956	V897-M954 PolarHBondContact N-O 3.22Å; V897-M954 PolarHBondContact O-N 3.41Å; V897-M954 VanDerWaalsContact O-N 3.16Å; P952-M954 PolarHBondContact O-N 2.8Å; M954-V956 HydrophobicContact CE-CG1 3.95Å; M954-V956 HydrophobicContact CG-CG1 4.37Å; M954-V956 PolarHBondContact O-N 3.14Å
955	Q	67.6	Low	61.6	Low	37 Å²	37	73.1 Å²	73.1	17%	0.173	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	116.2	170.9	-65.1	-170.2	-26.6	0	0	109.2	Y532 C895 W896	Y532-Q955 HydrophobicContact CD1-CB 4.14Å; Y532-Q955 HydrophobicContact CE1-CB 3.71Å; Y532-Q955 WeakPolarHBondContact CE1-O 3.14Å; Y532-Q955 PolarHBondContact OH-O 3.47Å; Y532-Q955 VanDerWaalsContact OH-O 3.07Å; C895-Q955 WeakPolarHBondContact O-CA 3.42Å; W896-Q955 HydrophobicContact CD2-CG 3.94Å; W896-Q955 HydrophobicContact CE3-CG 3.44Å; W896-Q955 VanDerWaalsContact CE3-CG 3.44Å; W896-Q955 HydrophobicContact CH2-CG 3.87Å; W896-Q955 HydrophobicContact CZ2-CG 4.26Å; W896-Q955 HydrophobicContact CZ3-CG 3.42Å; W896-Q955 VanDerWaalsContact CZ3-CG 3.42Å
956	V	71.5	Confident	64.4	Low	39 Å²	39	70.4 Å²	70.4	24%	0.236	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	153.2	173	-65.8	0	0	0	0	109.9	L894 C895 V897 M954	L894-V956 WeakPolarHBondContact CA-O 3.44Å; C895-V956 PolarHBondContact N-O 2.96Å; C895-V956 PolarHBondContact O-N 3.27Å; V897-V956 HydrophobicContact CB-CG2 4Å; V897-V956 HydrophobicContact CG2-CG2 3.39Å; M954-V956 HydrophobicContact CE-CG1 3.95Å; M954-V956 HydrophobicContact CG-CG1 4.37Å; M954-V956 PolarHBondContact O-N 3.14Å
957	P	76.5	Confident	67.3	Low	52 Å²	52	60.8 Å²	60.8	34%	0.338	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	138	168.6	-22	34.7	0	0	0	110.9	P541	P541-P957 HydrophobicContact CG-CG 3.88Å
958	C	81.7	Confident	70	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163.1	173.5	65.8	0	0	0	0	109.5	A893 L894 C895 E1020	A893-C958 CarbonylContact C-O 3.59Å; A893-C958 WeakPolarHBondContact CB-O 3.32Å; A893-C958 PolarHBondContact N-O 3.19Å; A893-C958 PolarHBondContact O-N 3.11Å; L894-C958 VanDerWaalsContact C-SG 3.5Å; C895-C958 VanDerWaalsContact CA-SG 3.57Å; C895-C958 HydrophobicContact CB-CB 3.55Å; C895-C958 WeakPolarHBondContact CB-SG 3.35Å; C895-C958 PolarHBondContact N-SG 3.37Å; C895-C958 WeakPolarHBondContact SG-CB 3.4Å; C895-C958 CovalentContact SG-SG 2.02Å; C895-C958 PolarHBondContact SG-SG 3.17Å; C958-E1020 HydrophobicContact CB-CG 4.33Å
959	D	85.4	Confident	72.1	Confident	29 Å²	29	58.7 Å²	58.7	16%	0.155	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.5	170.6	-59.6	-13.4	0	0	0	108	Y891 I1021 Y1023 R1031	Y891-D959 HydrophobicContact CD1-CB 3.98Å; Y891-D959 VanDerWaalsContact CD1-CG 3.46Å; Y891-D959 HydrophobicContact CE1-CB 4.38Å; D959-I1021 HydrophobicContact CB-CB 4.22Å; D959-I1021 HydrophobicContact CB-CD1 4.1Å; D959-I1021 HydrophobicContact CB-CG1 4.42Å; D959-I1021 PolarHBondContact O-N 2.9Å; D959-Y1023 HydrophobicContact CB-CE2 4.12Å; D959-Y1023 WeakPolarHBondContact CB-OH 3.22Å; D959-Y1023 WeakPolarHBondContact OD2-CE2 3.44Å; D959-Y1023 VanDerWaalsContact OD2-CZ 3.23Å; D959-Y1023 PolarHBondContact OD2-OH 3.11Å; D959-R1031 IonicContact OD2-NH1 2.78Å; D959-R1031 PolarHBondContact OD2-NH1 2.86Å
960	T	86.5	Confident	74.2	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.2	173.4	62.1	0	0	0	0	112.4	Y889 D890 A893 P1018 F1019	Y889-T960 WeakPolarHBondContact CA-O 3.49Å; D890-T960 PolarHBondContact N-O 3.02Å; D890-T960 PolarHBondContact O-N 2.82Å; A893-T960 HydrophobicContact CB-CG2 3.67Å; A893-T960 VanDerWaalsContact CB-OG1 3.26Å; A893-T960 WeakPolarHBondContact CB-OG1 3.32Å; T960-P1018 HydrophobicContact CG2-CB 4.42Å; T960-F1019 CarbonylContact C-O 3.55Å; T960-F1019 WeakPolarHBondContact CA-O 3.43Å; T960-F1019 WeakPolarHBondContact CB-O 3.43Å
961	E	88.3	Confident	76.4	Confident	78 Å²	78	51.7 Å²	51.7	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.9	165.6	65.3	172.7	-159.4	0	0	110.3	L888 Y889 F1019 I1021	L888-E961 WeakPolarHBondContact O-CA 3.42Å; Y889-E961 HydrophobicContact CD1-CB 3.74Å; Y889-E961 HydrophobicContact CE1-CB 3.63Å; Y889-E961 WeakPolarHBondContact CE1-OE2 3.41Å; E961-F1019 HydrophobicContact CG-CB 4.43Å; E961-F1019 PolarHBondContact N-O 3.21Å; E961-F1019 PolarHBondContact O-N 3.46Å; E961-I1021 HydrophobicContact CB-CD1 4.11Å; E961-I1021 HydrophobicContact CB-CG1 4.21Å; E961-I1021 HydrophobicContact CG-CG1 4.15Å
962	Y	87.6	Confident	78.5	Confident	28 Å²	28	55.6 Å²	55.6	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.3	176.8	59.6	-81.8	0	0	0	111.8	S579 G583 L888 D890	S579-Y962 WeakPolarHBondContact CB-OH 3.18Å; G583-Y962 VanDerWaalsContact O-CE2 3.29Å; G583-Y962 WeakPolarHBondContact O-CE2 3.45Å; L888-Y962 HydrophobicContact CB-CD1 4.35Å; L888-Y962 HydrophobicContact CB-CD2 4.2Å; L888-Y962 HydrophobicContact CB-CE1 3.91Å; L888-Y962 HydrophobicContact CB-CE2 3.75Å; L888-Y962 HydrophobicContact CB-CG 4.48Å; L888-Y962 HydrophobicContact CD1-CD2 4.49Å; L888-Y962 HydrophobicContact CD1-CE2 3.63Å; L888-Y962 HydrophobicContact CG-CE2 4.28Å; L888-Y962 PolarHBondContact N-O 3.35Å; L888-Y962 PolarHBondContact O-N 3.43Å; D890-Y962 HydrophobicContact CB-CE1 4.2Å
963	P	89.5	Confident	80.3	Confident	19 Å²	19	55.5 Å²	55.5	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.9	176.7	33	-31.5	0	0	0	110.5	R885 F965	R885-P963 HydrophobicContact CG-CB 4.13Å; P963-F965 HydrophobicContact CB-CE2 4.25Å; P963-F965 HydrophobicContact CB-CZ 4.19Å
964	A	88.4	Confident	81.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	158	170.6	0	0	0	0	0	111.1	V586 V886 L888 M1016	V586-A964 HydrophobicContact CG2-CB 3.35Å; V886-A964 PolarHBondContact N-O 3.22Å; V886-A964 PolarHBondContact O-N 3.16Å; L888-A964 HydrophobicContact CD1-CB 3.88Å; L888-A964 HydrophobicContact CG-CB 4.42Å; A964-M1016 HydrophobicContact CB-CE 4.08Å
965	F	88.9	Confident	83.2	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.5	-169	-61.3	-82.3	0	0	0	112	N850 F865 L878 F883 R885 P963 I1014 M1016	N850-F965 WeakPolarHBondContact CA-O 3.47Å; N850-F965 PolarHBondContact ND2-O 2.68Å; F865-F965 AromaticContact CE1-CD2 3.75Å; F865-F965 HydrophobicContact CE1-CD2 3.75Å; F865-F965 AromaticContact CE1-CE2 3.71Å; F865-F965 HydrophobicContact CE1-CE2 3.71Å; F865-F965 HydrophobicContact CE1-CZ 4.44Å; F865-F965 HydrophobicContact CE2-CB 3.98Å; F865-F965 AromaticContact CE2-CD2 3.63Å; F865-F965 HydrophobicContact CE2-CD2 3.63Å; F865-F965 HydrophobicContact CE2-CE2 4.43Å; F865-F965 HydrophobicContact CE2-CG 4.01Å; F865-F965 HydrophobicContact CZ-CB 4.03Å; F865-F965 HydrophobicContact CZ-CD1 4.34Å; F865-F965 AromaticContact CZ-CD2 3.13Å; F865-F965 HydrophobicContact CZ-CD2 3.13Å; F865-F965 AromaticContact CZ-CE2 3.57Å; F865-F965 HydrophobicContact CZ-CE2 3.57Å; F865-F965 AromaticContact CZ-CG 3.57Å; F865-F965 HydrophobicContact CZ-CG 3.57Å; F865-F965 HydrophobicContact CZ-CZ 4.33Å; L878-F965 HydrophobicContact CD1-CE1 3.88Å; L878-F965 HydrophobicContact CD2-CD1 3.83Å; L878-F965 HydrophobicContact CD2-CE1 3.91Å; F883-F965 HydrophobicContact CD1-CB 4.48Å; R885-F965 HydrophobicContact CB-CD1 4.12Å; R885-F965 HydrophobicContact CB-CE1 3.76Å; R885-F965 HydrophobicContact CG-CD1 4.34Å; R885-F965 HydrophobicContact CG-CE1 3.72Å; R885-F965 HydrophobicContact CG-CZ 4.15Å; P963-F965 HydrophobicContact CB-CE2 4.25Å; P963-F965 HydrophobicContact CB-CZ 4.19Å; F965-I1014 HydrophobicContact CE1-CG2 4.42Å; F965-I1014 HydrophobicContact CE2-CG2 4.03Å; F965-I1014 HydrophobicContact CZ-CG2 3.55Å; F965-M1016 HydrophobicContact CD2-CG 3.97Å; F965-M1016 HydrophobicContact CD2-SD 4.02Å; F965-M1016 HydrophobicContact CE2-CG 3.9Å
966	V	89.6	Confident	84.1	Confident	29 Å²	29	51.9 Å²	51.9	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.6	-178.8	-175.1	0	0	0	0	109.6	V586 F883 K884 V886	V586-V966 HydrophobicContact CB-CG2 3.89Å; V586-V966 HydrophobicContact CG2-CG2 4.29Å; F883-V966 CarbonylContact C-O 3.57Å; F883-V966 WeakPolarHBondContact CA-O 3.47Å; K884-V966 PolarHBondContact N-O 3.45Å; K884-V966 PolarHBondContact O-N 3.12Å; K884-V966 VanDerWaalsContact O-N 3.13Å; V886-V966 HydrophobicContact CG2-CG2 4.38Å
967	S	88.7	Confident	84.9	Confident	13 Å²	13	54.5 Å²	54.5	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.1	173.7	66.2	0	0	0	0	111.9	N849 S882 F998	N849-S967 WeakPolarHBondContact CB-OG 3.37Å; N849-S967 PolarHBondContact O-N 2.64Å; N849-S967 PolarHBondContact O-OG 3.02Å; S882-S967 WeakPolarHBondContact O-CA 3.32Å; S967-F998 WeakPolarHBondContact OG-CE2 3.32Å
968	E	85.3	Confident	85.4	Confident	78 Å²	78	52.5 Å²	52.5	36%	0.364	26%	0.261	S	S	.	.			trans	-74.7	123.1	176.1	180	49.2	-103.6	0	0	111.3	S882 T970 I971	S882-E968 PolarHBondContact O-N 2.93Å; E968-T970 WeakPolarHBondContact CG-OG1 3.41Å; E968-T970 PolarHBondContact O-N 3Å; E968-T970 VanDerWaalsContact O-N 3.15Å; E968-T970 PolarHBondContact OE1-N 3.22Å; E968-I971 HydrophobicContact CG-CD1 4.5Å; E968-I971 PolarHBondContact O-N 3.46Å
969	R	76.1	Confident	85.6	Confident	154 Å²	154	57.3 Å²	57.3	58%	0.581	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.9	-171.4	-70.6	-175.2	175.7	-168.1	-3.2	113.6	E764	E764-R969 PolarHBondContact O-NH1 3.2Å; E764-R969 PolarHBondContact O-NH2 3.04Å
970	T	76.9	Confident	85.5	Confident	112 Å²	112	56.5 Å²	56.5	69%	0.687	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.1	-179.9	61.1	0	0	0	0	113.7	E968	E968-T970 WeakPolarHBondContact CG-OG1 3.41Å; E968-T970 PolarHBondContact O-N 3Å; E968-T970 VanDerWaalsContact O-N 3.15Å; E968-T970 PolarHBondContact OE1-N 3.22Å
971	I	79.7	Confident	84.9	Confident	50 Å²	50	62.6 Å²	62.6	26%	0.256	31%	0.314	S	S	.	.			trans	-100.5	110.1	-173.7	-61.8	175.6	0	0	0	109.4	E968 N974	E968-I971 HydrophobicContact CG-CD1 4.5Å; E968-I971 PolarHBondContact O-N 3.46Å; I971-N974 HydrophobicContact CG2-CB 4.47Å; I971-N974 VanDerWaalsContact CG2-ND2 3.33Å; I971-N974 WeakPolarHBondContact CG2-ND2 3.31Å
972	K	81.4	Confident	84.4	Confident	126 Å²	126	62.7 Å²	62.7	55%	0.548	34%	0.336	S	S	.	.			trans	-101.7	-23.4	-174.1	-58.8	-167.1	174.1	-179.7	0	114.9	Q990 Q991	K972-Q990 PolarHBondContact O-NE2 3.41Å; K972-Q991 HydrophobicContact CB-CB 4.33Å; K972-Q991 WeakPolarHBondContact O-CB 3.44Å; K972-Q991 PolarHBondContact O-N 3.05Å
973	E	84.8	Confident	84.2	Confident	102 Å²	102	63.6 Å²	63.6	48%	0.477	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	138.4	179.4	61.2	-163	-141.5	0	0	108.2	K44 I989	K44-E973 WeakPolarHBondContact CE-OE2 3.38Å; K44-E973 IonicContact NZ-OE1 3.68Å; K44-E973 PolarHBondContact NZ-OE1 3.1Å; K44-E973 IonicContact NZ-OE2 2.99Å; K44-E973 PolarHBondContact NZ-OE2 3.5Å; E973-I989 WeakPolarHBondContact CA-O 3.39Å
974	N	85.2	Confident	84	Confident	44 Å²	44	66.3 Å²	66.3	24%	0.235	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.3	174.9	-106.8	-17.3	0	0	0	109.7	M880 S882 I971 I989	M880-N974 HydrophobicContact CE-CB 4Å; S882-N974 PolarHBondContact OG-ND2 2.9Å; I971-N974 HydrophobicContact CG2-CB 4.47Å; I971-N974 VanDerWaalsContact CG2-ND2 3.33Å; I971-N974 WeakPolarHBondContact CG2-ND2 3.31Å; N974-I989 HydrophobicContact CB-CG2 3.6Å; N974-I989 PolarHBondContact N-O 2.76Å; N974-I989 WeakPolarHBondContact O-CG2 3.46Å; N974-I989 PolarHBondContact O-N 3.18Å
975	M	87.9	Confident	84	Confident	103 Å²	103	66.8 Å²	66.8	51%	0.507	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146	174.4	61.3	179.2	-70.5	0	0	109.5	M880 F987 V988	M880-M975 WeakPolarHBondContact CE-O 3.11Å; M975-F987 WeakPolarHBondContact CA-O 3Å; M975-V988 HydrophobicContact CB-CG2 4.18Å
976	G	85.8	Confident	84	Confident	9 Å²	9	67.6 Å²	67.6	9%	0.093	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.2	-177	0	0	0	0	0	112.5	S986 F987	G976-S986 WeakPolarHBondContact O-CA 3.48Å; G976-F987 PolarHBondContact N-O 2.73Å; G976-F987 VanDerWaalsContact O-CD1 3.23Å; G976-F987 WeakPolarHBondContact O-CD1 3.49Å; G976-F987 PolarHBondContact O-N 2.63Å
977	N	89	Confident	84.1	Confident	94 Å²	94	66.3 Å²	66.3	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.6	171.8	-66.1	7.8	0	0	0	107.7	I984 S986	N977-I984 HydrophobicContact CB-CG2 3.74Å; N977-S986 PolarHBondContact OD1-OG 2.73Å
978	I	87.7	Confident	84.2	Confident	11 Å²	11	66 Å²	66	6%	0.056	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.6	-178.7	-52.8	168.5	0	0	0	106.6	A872 V873 K876 I984 K985 F987 F1011	A872-I978 HydrophobicContact CB-CD1 4.3Å; V873-I978 HydrophobicContact CB-CD1 4.44Å; V873-I978 HydrophobicContact CG2-CD1 3.98Å; K876-I978 HydrophobicContact CB-CD1 4.21Å; K876-I978 HydrophobicContact CB-CG1 4.19Å; K876-I978 HydrophobicContact CG-CG1 4.2Å; I978-I984 CarbonylContact O-C 3.59Å; I978-I984 VanDerWaalsContact O-CA 3.32Å; I978-I984 WeakPolarHBondContact O-CA 3.35Å; I978-K985 HydrophobicContact CB-CB 4.42Å; I978-K985 PolarHBondContact N-O 3.41Å; I978-K985 PolarHBondContact O-N 3.08Å; I978-F987 HydrophobicContact CD1-CD1 3.92Å; I978-F987 HydrophobicContact CD1-CE1 3.97Å; I978-F987 HydrophobicContact CG1-CD1 4.22Å; I978-F987 HydrophobicContact CG1-CE1 4.04Å; I978-F1011 HydrophobicContact CG2-CD2 4.49Å; I978-F1011 HydrophobicContact CG2-CE2 3.79Å; I978-F1011 HydrophobicContact CG2-CZ 4.3Å
979	D	85.9	Confident	84.5	Confident	112 Å²	112	62.7 Å²	62.7	60%	0.599	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.1	173.9	-159.4	-5.7	0	0	0	108.6
980	C	82.7	Confident	85.3	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	66.4	-176.8	-58.9	0	0	0	0	108.8	G982 C983 C1008	C980-G982 VanDerWaalsContact C-N 3.32Å; C980-G982 PolarHBondContact O-N 3.43Å; C980-G982 VanDerWaalsContact O-N 3.09Å; C980-C983 PolarHBondContact N-O 3.13Å; C980-C983 PolarHBondContact O-N 2.86Å; C980-C1008 HydrophobicContact CB-CB 4Å; C980-C1008 WeakPolarHBondContact CB-SG 3.44Å; C980-C1008 WeakPolarHBondContact SG-CB 3.29Å; C980-C1008 CovalentContact SG-SG 2.04Å; C980-C1008 PolarHBondContact SG-SG 3.46Å
981	D	74.5	Confident	86	Confident	140 Å²	140	52.9 Å²	52.9	75%	0.749	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.9	52.6	171.9	-78.1	31.2	0	0	0	115
982	G	75.9	Confident	86.6	Confident	80 Å²	80	50.6 Å²	50.6	83%	0.825	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.3	-10.3	176.1	0	0	0	0	0	114.8	C980	C980-G982 VanDerWaalsContact C-N 3.32Å; C980-G982 PolarHBondContact O-N 3.43Å; C980-G982 VanDerWaalsContact O-N 3.09Å
983	C	84.7	Confident	87	Confident	46 Å²	46	47.5 Å²	47.5	31%	0.311	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.7	171.3	79.8	0	0	0	0	112.5	C980 C1006	C980-C983 PolarHBondContact N-O 3.13Å; C980-C983 PolarHBondContact O-N 2.86Å; C983-C1006 VanDerWaalsContact C-SG 3.59Å; C983-C1006 HydrophobicContact CB-CB 4.48Å; C983-C1006 WeakPolarHBondContact CB-SG 3.48Å; C983-C1006 VanDerWaalsContact SG-CA 3.52Å; C983-C1006 WeakPolarHBondContact SG-CB 3.48Å; C983-C1006 CovalentContact SG-SG 2.03Å; C983-C1006 PolarHBondContact SG-SG 2.92Å
984	I	84.5	Confident	87.2	Confident	77 Å²	77	44.7 Å²	44.7	40%	0.395	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.3	-173.9	-59	174.6	0	0	0	110.1	N977 I978	N977-I984 HydrophobicContact CB-CG2 3.74Å; I978-I984 CarbonylContact O-C 3.59Å; I978-I984 VanDerWaalsContact O-CA 3.32Å; I978-I984 WeakPolarHBondContact O-CA 3.35Å
985	K	88.1	Confident	87.5	Confident	10 Å²	10	42.9 Å²	42.9	4%	0.043	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.8	173.5	-164.1	166.5	-176	179.6	0	109.4	E870 I978 V1002 D1003 C1006 C1008	E870-K985 IonicContact OE1-NZ 2.68Å; E870-K985 PolarHBondContact OE1-NZ 3.46Å; E870-K985 IonicContact OE2-NZ 3.51Å; E870-K985 PolarHBondContact OE2-NZ 3.49Å; I978-K985 HydrophobicContact CB-CB 4.42Å; I978-K985 PolarHBondContact N-O 3.41Å; I978-K985 PolarHBondContact O-N 3.08Å; K985-V1002 HydrophobicContact CD-CG1 4.32Å; K985-V1002 HydrophobicContact CG-CG1 4.27Å; K985-D1003 WeakPolarHBondContact CE-O 3.38Å; K985-D1003 WeakPolarHBondContact CG-O 3.39Å; K985-C1006 HydrophobicContact CB-CB 3.91Å; K985-C1006 HydrophobicContact CD-CB 4.35Å; K985-C1006 HydrophobicContact CG-CB 4.27Å; K985-C1008 VanDerWaalsContact CB-SG 3.58Å; K985-C1008 HydrophobicContact CD-CB 4.31Å; K985-C1008 WeakPolarHBondContact CD-SG 3.39Å
986	S	89.6	Confident	87.6	Confident	19 Å²	19	38.1 Å²	38.1	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.4	-177.5	-54.6	0	0	0	0	110.6	G976 N977 D1003	G976-S986 WeakPolarHBondContact O-CA 3.48Å; N977-S986 PolarHBondContact OD1-OG 2.73Å; S986-D1003 PolarHBondContact O-N 3.27Å
987	F	91.3	Very high	88	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.8	175.9	71.7	-90.1	0	0	0	113	V873 K876 L877 M880 M975 G976 I978 V1001 V1002	V873-F987 HydrophobicContact CG1-CB 4.13Å; V873-F987 HydrophobicContact CG1-CD1 3.93Å; V873-F987 HydrophobicContact CG1-CD2 3.9Å; V873-F987 HydrophobicContact CG1-CE1 4.31Å; V873-F987 HydrophobicContact CG1-CE2 4.3Å; V873-F987 HydrophobicContact CG1-CG 3.71Å; V873-F987 HydrophobicContact CG1-CZ 4.48Å; V873-F987 HydrophobicContact CG2-CD1 4.47Å; K876-F987 HydrophobicContact CB-CE1 3.93Å; K876-F987 HydrophobicContact CB-CZ 4.12Å; K876-F987 HydrophobicContact CG-CE1 3.74Å; K876-F987 HydrophobicContact CG-CZ 3.9Å; L877-F987 HydrophobicContact CD2-CE2 3.67Å; L877-F987 HydrophobicContact CD2-CZ 4.24Å; L877-F987 HydrophobicContact CG-CE2 4.2Å; L877-F987 HydrophobicContact CG-CZ 4.48Å; M880-F987 HydrophobicContact SD-CZ 4Å; M975-F987 WeakPolarHBondContact CA-O 3Å; G976-F987 PolarHBondContact N-O 2.73Å; G976-F987 VanDerWaalsContact O-CD1 3.23Å; G976-F987 WeakPolarHBondContact O-CD1 3.49Å; G976-F987 PolarHBondContact O-N 2.63Å; I978-F987 HydrophobicContact CD1-CD1 3.92Å; I978-F987 HydrophobicContact CD1-CE1 3.97Å; I978-F987 HydrophobicContact CG1-CD1 4.22Å; I978-F987 HydrophobicContact CG1-CE1 4.04Å; F987-V1001 CarbonylContact C-O 3.5Å; F987-V1001 VanDerWaalsContact CA-O 3.27Å; F987-V1001 WeakPolarHBondContact CA-O 3.46Å; F987-V1002 HydrophobicContact CB-CG1 4.48Å; F987-V1002 HydrophobicContact CB-CG2 4.23Å
988	V	91.6	Very high	88.2	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.7	171.4	179	0	0	0	0	108.7	I38 P40 V43 M975 V1000 V1001	I38-V988 HydrophobicContact CB-CG2 4.01Å; I38-V988 HydrophobicContact CG2-CB 4.36Å; I38-V988 HydrophobicContact CG2-CG2 3.81Å; P40-V988 HydrophobicContact CB-CG1 4.28Å; V43-V988 HydrophobicContact CB-CG1 4.21Å; V43-V988 HydrophobicContact CG1-CG1 4.28Å; V43-V988 HydrophobicContact CG2-CB 4.36Å; V43-V988 HydrophobicContact CG2-CG1 4.17Å; M975-V988 HydrophobicContact CB-CG2 4.18Å; V988-V1000 WeakPolarHBondContact O-CA 3.32Å; V988-V1001 PolarHBondContact N-O 3.45Å; V988-V1001 PolarHBondContact O-N 2.77Å
989	I	92.1	Very high	88.4	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.6	171.5	-178.4	164.2	0	0	0	109.8	I847 L877 F883 E973 N974 F998 M999 V1000	I847-I989 HydrophobicContact CD1-CD1 4.4Å; L877-I989 HydrophobicContact CD1-CD1 4.25Å; L877-I989 HydrophobicContact CD2-CB 4.48Å; L877-I989 HydrophobicContact CD2-CD1 4.24Å; L877-I989 HydrophobicContact CD2-CG2 3.78Å; F883-I989 HydrophobicContact CE2-CD1 4Å; E973-I989 WeakPolarHBondContact CA-O 3.39Å; N974-I989 HydrophobicContact CB-CG2 3.6Å; N974-I989 PolarHBondContact N-O 2.76Å; N974-I989 WeakPolarHBondContact O-CG2 3.46Å; N974-I989 PolarHBondContact O-N 3.18Å; I989-F998 HydrophobicContact CD1-CB 4.07Å; I989-F998 HydrophobicContact CD1-CD1 4.02Å; I989-F998 HydrophobicContact CD1-CG 4.22Å; I989-F998 HydrophobicContact CG1-CB 4.04Å; I989-F998 HydrophobicContact CG1-CD1 3.95Å; I989-F998 HydrophobicContact CG1-CG 4.37Å; I989-M999 WeakPolarHBondContact CA-O 3.44Å; I989-V1000 HydrophobicContact CB-CG2 4.35Å; I989-V1000 HydrophobicContact CD1-CG2 3.93Å; I989-V1000 HydrophobicContact CG1-CG2 3.96Å
990	Q	92.6	Very high	88.7	Confident	16 Å²	16	27.9 Å²	27.9	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.7	-177.5	177.5	61.6	73.8	0	0	110.5	V43 A47 K972 F998 M999	V43-Q990 HydrophobicContact CG1-CB 3.95Å; A47-Q990 HydrophobicContact CB-CB 4.48Å; A47-Q990 HydrophobicContact CB-CG 3.64Å; K972-Q990 PolarHBondContact O-NE2 3.41Å; Q990-F998 WeakPolarHBondContact O-CA 3.23Å; Q990-M999 PolarHBondContact N-O 2.83Å; Q990-M999 PolarHBondContact O-N 3.25Å
991	Q	92	Very high	89.2	Confident	45 Å²	45	27.4 Å²	27.4	21%	0.21	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	136.3	171.1	-168.2	-176.7	35.1	0	0	110.2	K972 F998	K972-Q991 HydrophobicContact CB-CB 4.33Å; K972-Q991 WeakPolarHBondContact O-CB 3.44Å; K972-Q991 PolarHBondContact O-N 3.05Å; Q991-F998 HydrophobicContact CB-CD1 3.81Å; Q991-F998 HydrophobicContact CB-CE1 3.63Å; Q991-F998 HydrophobicContact CB-CZ 4.37Å; Q991-F998 HydrophobicContact CG-CD1 4.24Å; Q991-F998 HydrophobicContact CG-CE1 3.89Å; Q991-F998 HydrophobicContact CG-CZ 4.12Å
992	I	92.1	Very high	89.9	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-82.5	129	177.3	-59.9	-164.5	0	0	0	109.7	A47 F50 L846 S994 S995 L997 M999	A47-I992 HydrophobicContact CB-CG1 4.15Å; F50-I992 HydrophobicContact CD1-CD1 3.76Å; F50-I992 HydrophobicContact CD1-CG2 4.41Å; F50-I992 HydrophobicContact CE1-CD1 4.2Å; L846-I992 HydrophobicContact CD1-CD1 3.34Å; I992-S994 PolarHBondContact O-N 3.3Å; I992-S995 WeakPolarHBondContact CB-OG 3.42Å; I992-S995 WeakPolarHBondContact CG2-OG 3.41Å; I992-S995 PolarHBondContact O-N 3.25Å; I992-L997 HydrophobicContact CB-CB 4.26Å; I992-L997 WeakPolarHBondContact CB-O 3.44Å; I992-L997 HydrophobicContact CD1-CB 4.05Å; I992-L997 HydrophobicContact CG1-CB 4.27Å; I992-L997 PolarHBondContact N-O 2.83Å; I992-M999 HydrophobicContact CD1-CB 4.38Å; I992-M999 HydrophobicContact CG1-CB 4.49Å
993	P	89.5	Confident	90.6	Very high	61 Å²	61	17.7 Å²	17.7	40%	0.396	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	134.7	-177.8	-25.2	35	0	0	0	112.9	S995	P993-S995 VanDerWaalsContact C-N 3.3Å; P993-S995 PolarHBondContact O-N 3.42Å
994	S	88.4	Confident	90.5	Very high	43 Å²	43	18.9 Å²	18.9	30%	0.301	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	25.2	179.6	-52	0	0	0	0	116.4	K55 T769 F770 I992	K55-S994 PolarHBondContact NZ-OG 2.89Å; T769-S994 WeakPolarHBondContact CA-O 3.47Å; T769-S994 VanDerWaalsContact CB-O 3.26Å; T769-S994 WeakPolarHBondContact CB-O 3.42Å; F770-S994 PolarHBondContact N-O 3.44Å; I992-S994 PolarHBondContact O-N 3.3Å
995	S	91.3	Very high	90.4	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.042	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-139.9	177.1	170.2	72.6	0	0	0	0	113.3	F770 I992 P993 L997	F770-S995 VanDerWaalsContact O-CA 3.23Å; F770-S995 WeakPolarHBondContact O-CA 3.47Å; F770-S995 WeakPolarHBondContact O-CB 3.48Å; I992-S995 WeakPolarHBondContact CB-OG 3.42Å; I992-S995 WeakPolarHBondContact CG2-OG 3.41Å; I992-S995 PolarHBondContact O-N 3.25Å; P993-S995 VanDerWaalsContact C-N 3.3Å; P993-S995 PolarHBondContact O-N 3.42Å; S995-L997 VanDerWaalsContact C-N 3.28Å; S995-L997 PolarHBondContact OG-N 3.28Å
996	N	91.3	Very high	90.1	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-86.2	8.5	172.1	71.3	-51	0	0	0	113.6	I771 Y772 N849	I771-N996 WeakPolarHBondContact CA-OD1 3.24Å; Y772-N996 PolarHBondContact N-OD1 2.87Å; Y772-N996 PolarHBondContact O-ND2 3.27Å; Y772-N996 VanDerWaalsContact O-ND2 3.11Å; Y772-N996 PolarHBondContact O-OD1 2.85Å; N849-N996 HydrophobicContact CB-CB 4.43Å; N849-N996 WeakPolarHBondContact CB-O 3.44Å; N849-N996 PolarHBondContact N-O 2.85Å; N849-N996 WeakPolarHBondContact OD1-CB 3.34Å; N849-N996 PolarHBondContact OD1-ND2 3.06Å; N849-N996 VanDerWaalsContact OD1-ND2 3.1Å
997	L	93.1	Very high	89.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	152	-169.2	-58.1	176.9	0	0	0	112.8	F50 Y772 F815 L846 I847 D848 L854 I992 S995	F50-L997 HydrophobicContact CE1-CD1 4.3Å; Y772-L997 HydrophobicContact CD2-CD1 3.83Å; Y772-L997 HydrophobicContact CD2-CG 4.26Å; Y772-L997 HydrophobicContact CG-CD1 4.02Å; F815-L997 HydrophobicContact CZ-CD1 3.93Å; L846-L997 HydrophobicContact CD1-CB 4.12Å; L846-L997 HydrophobicContact CD1-CD1 4.28Å; L846-L997 HydrophobicContact CD2-CD1 4.14Å; L846-L997 HydrophobicContact CG-CD1 4.33Å; I847-L997 CarbonylContact O-C 3.47Å; I847-L997 WeakPolarHBondContact O-CA 3.26Å; D848-L997 HydrophobicContact CB-CD2 4.29Å; L854-L997 HydrophobicContact CD1-CD2 4.2Å; L854-L997 HydrophobicContact CD2-CD2 3.76Å; I992-L997 HydrophobicContact CB-CB 4.26Å; I992-L997 WeakPolarHBondContact CB-O 3.44Å; I992-L997 HydrophobicContact CD1-CB 4.05Å; I992-L997 HydrophobicContact CG1-CB 4.27Å; I992-L997 PolarHBondContact N-O 2.83Å; S995-L997 VanDerWaalsContact C-N 3.28Å; S995-L997 PolarHBondContact OG-N 3.28Å
998	F	93.3	Very high	89.1	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.5	170.6	-63.4	-99.5	0	0	0	109.8	I847 N849 S967 I989 Q990 Q991	I847-F998 HydrophobicContact CD1-CB 4.41Å; I847-F998 HydrophobicContact CG1-CB 3.85Å; I847-F998 PolarHBondContact N-O 3.36Å; I847-F998 PolarHBondContact O-N 2.9Å; N849-F998 HydrophobicContact CB-CE2 4.33Å; S967-F998 WeakPolarHBondContact OG-CE2 3.32Å; I989-F998 HydrophobicContact CD1-CB 4.07Å; I989-F998 HydrophobicContact CD1-CD1 4.02Å; I989-F998 HydrophobicContact CD1-CG 4.22Å; I989-F998 HydrophobicContact CG1-CB 4.04Å; I989-F998 HydrophobicContact CG1-CD1 3.95Å; I989-F998 HydrophobicContact CG1-CG 4.37Å; Q990-F998 WeakPolarHBondContact O-CA 3.23Å; Q991-F998 HydrophobicContact CB-CD1 3.81Å; Q991-F998 HydrophobicContact CB-CE1 3.63Å; Q991-F998 HydrophobicContact CB-CZ 4.37Å; Q991-F998 HydrophobicContact CG-CD1 4.24Å; Q991-F998 HydrophobicContact CG-CE1 3.89Å; Q991-F998 HydrophobicContact CG-CZ 4.12Å
999	M	92.8	Very high	88.4	Confident	3 Å²	3	30 Å²	30	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.3	166.9	-171.5	175	-169.3	0	0	108.2	V43 W46 F819 I989 Q990 I992 V1001	V43-M999 HydrophobicContact CG1-CG 4.31Å; V43-M999 HydrophobicContact CG1-SD 4.13Å; W46-M999 HydrophobicContact CB-CE 3.97Å; W46-M999 HydrophobicContact CB-SD 3.75Å; W46-M999 HydrophobicContact CD2-CE 4.22Å; W46-M999 HydrophobicContact CE3-CE 3.54Å; W46-M999 HydrophobicContact CE3-SD 4.32Å; W46-M999 HydrophobicContact CG-CE 4.45Å; W46-M999 HydrophobicContact CZ3-CE 4.33Å; F819-M999 HydrophobicContact CE2-CE 3.97Å; F819-M999 HydrophobicContact CE2-CG 4.15Å; F819-M999 HydrophobicContact CE2-SD 4.29Å; F819-M999 HydrophobicContact CZ-CE 3.84Å; F819-M999 HydrophobicContact CZ-CG 4.35Å; I989-M999 WeakPolarHBondContact CA-O 3.44Å; Q990-M999 PolarHBondContact N-O 2.83Å; Q990-M999 PolarHBondContact O-N 3.25Å; I992-M999 HydrophobicContact CD1-CB 4.38Å; I992-M999 HydrophobicContact CG1-CB 4.49Å; M999-V1001 HydrophobicContact CE-CG2 4.22Å; M999-V1001 HydrophobicContact CG-CG2 4.27Å
1000	V	92.7	Very high	87.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.7	176.7	-170	0	0	0	0	108.5	Y845 I847 F866 V988 I989 V1002	Y845-V1000 PolarHBondContact N-O 3.31Å; Y845-V1000 PolarHBondContact O-N 3.1Å; I847-V1000 HydrophobicContact CD1-CG2 3.67Å; I847-V1000 HydrophobicContact CG1-CG2 3.96Å; F866-V1000 HydrophobicContact CE2-CG1 4.49Å; F866-V1000 HydrophobicContact CZ-CB 4.48Å; F866-V1000 HydrophobicContact CZ-CG1 3.89Å; V988-V1000 WeakPolarHBondContact O-CA 3.32Å; I989-V1000 HydrophobicContact CB-CG2 4.35Å; I989-V1000 HydrophobicContact CD1-CG2 3.93Å; I989-V1000 HydrophobicContact CG1-CG2 3.96Å; V1000-V1002 HydrophobicContact CG1-CG2 3.83Å
1001	V	91.6	Very high	87.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.1	-179.2	-176.2	0	0	0	0	107.8	I38 V43 W46 I842 F987 V988 M999	I38-V1001 HydrophobicContact CD1-CG1 4.2Å; I38-V1001 HydrophobicContact CG2-CG1 4.1Å; V43-V1001 HydrophobicContact CG1-CG2 3.79Å; V43-V1001 HydrophobicContact CG2-CB 4.24Å; V43-V1001 HydrophobicContact CG2-CG2 3.91Å; W46-V1001 HydrophobicContact CZ3-CG2 4.37Å; I842-V1001 HydrophobicContact CG2-CG1 3.29Å; F987-V1001 CarbonylContact C-O 3.5Å; F987-V1001 VanDerWaalsContact CA-O 3.27Å; F987-V1001 WeakPolarHBondContact CA-O 3.46Å; V988-V1001 PolarHBondContact N-O 3.45Å; V988-V1001 PolarHBondContact O-N 2.77Å; M999-V1001 HydrophobicContact CE-CG2 4.22Å; M999-V1001 HydrophobicContact CG-CG2 4.27Å
1002	V	90.8	Very high	86.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.4	-167.8	-170.9	0	0	0	0	110	I842 N843 Y845 V873 K985 F987 V1000 N1004	I842-V1002 CarbonylContact C-O 3.54Å; I842-V1002 WeakPolarHBondContact CA-O 3.47Å; N843-V1002 PolarHBondContact N-O 3.39Å; N843-V1002 PolarHBondContact O-N 3.36Å; Y845-V1002 HydrophobicContact CD2-CG2 4.3Å; Y845-V1002 HydrophobicContact CE2-CG2 4.25Å; V873-V1002 HydrophobicContact CG2-CG1 3.91Å; V873-V1002 HydrophobicContact CG2-CG2 4.32Å; K985-V1002 HydrophobicContact CD-CG1 4.32Å; K985-V1002 HydrophobicContact CG-CG1 4.27Å; F987-V1002 HydrophobicContact CB-CG1 4.48Å; F987-V1002 HydrophobicContact CB-CG2 4.23Å; V1000-V1002 HydrophobicContact CG1-CG2 3.83Å; V1002-N1004 PolarHBondContact O-N 2.86Å
1003	D	89.1	Confident	86.3	Confident	16 Å²	16	41 Å²	41	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.5	173.7	-166.2	-33.6	0	0	0	110.3	I38 K985 S986 K1005	I38-D1003 HydrophobicContact CD1-CB 4.48Å; K985-D1003 WeakPolarHBondContact CE-O 3.38Å; K985-D1003 WeakPolarHBondContact CG-O 3.39Å; S986-D1003 PolarHBondContact O-N 3.27Å; D1003-K1005 VanDerWaalsContact OD1-CB 3.31Å; D1003-K1005 WeakPolarHBondContact OD1-CB 3.43Å; D1003-K1005 VanDerWaalsContact OD1-CD 3.26Å; D1003-K1005 WeakPolarHBondContact OD1-CD 3.35Å; D1003-K1005 WeakPolarHBondContact OD1-CE 3.26Å; D1003-K1005 WeakPolarHBondContact OD1-CG 3.48Å; D1003-K1005 PolarHBondContact OD1-N 2.74Å; D1003-K1005 IonicContact OD1-NZ 3.04Å; D1003-K1005 PolarHBondContact OD1-NZ 3.41Å; D1003-K1005 IonicContact OD2-NZ 3.48Å; D1003-K1005 PolarHBondContact OD2-NZ 3.21Å
1004	N	84.1	Confident	86.2	Confident	71 Å²	71	39.9 Å²	39.9	38%	0.38	23%	0.228	S	C	.	.			trans	-94.6	4.6	-175.4	-162	32.8	0	0	0	113.6	H841 N843 V1002 C1006	H841-N1004 PolarHBondContact O-N 3.43Å; N843-N1004 PolarHBondContact ND2-OD1 3.01Å; N843-N1004 VanDerWaalsContact ND2-OD1 3.13Å; N843-N1004 WeakPolarHBondContact OD1-CB 3.43Å; N843-N1004 PolarHBondContact OD1-ND2 2.74Å; V1002-N1004 PolarHBondContact O-N 2.86Å; N1004-C1006 PolarHBondContact O-N 2.82Å
1005	K	81.8	Confident	86.1	Confident	119 Å²	119	40 Å²	40	52%	0.517	23%	0.227	S	C	.	.	S	Bend	trans	-71.7	-5.6	-178.4	-65.7	164.6	-153.2	135.4	0	114.9	D1003	D1003-K1005 VanDerWaalsContact OD1-CB 3.31Å; D1003-K1005 WeakPolarHBondContact OD1-CB 3.43Å; D1003-K1005 VanDerWaalsContact OD1-CD 3.26Å; D1003-K1005 WeakPolarHBondContact OD1-CD 3.35Å; D1003-K1005 WeakPolarHBondContact OD1-CE 3.26Å; D1003-K1005 WeakPolarHBondContact OD1-CG 3.48Å; D1003-K1005 PolarHBondContact OD1-N 2.74Å; D1003-K1005 IonicContact OD1-NZ 3.04Å; D1003-K1005 PolarHBondContact OD1-NZ 3.41Å; D1003-K1005 IonicContact OD2-NZ 3.48Å; D1003-K1005 PolarHBondContact OD2-NZ 3.21Å
1006	C	81.6	Confident	85.8	Confident	9 Å²	9	41 Å²	41	6%	0.061	23%	0.231	C	C	.	.			trans	-129.3	122.2	-170.7	-79.8	0	0	0	0	111.2	C983 K985 N1004	C983-C1006 VanDerWaalsContact C-SG 3.59Å; C983-C1006 HydrophobicContact CB-CB 4.48Å; C983-C1006 WeakPolarHBondContact CB-SG 3.48Å; C983-C1006 VanDerWaalsContact SG-CA 3.52Å; C983-C1006 WeakPolarHBondContact SG-CB 3.48Å; C983-C1006 CovalentContact SG-SG 2.03Å; C983-C1006 PolarHBondContact SG-SG 2.92Å; K985-C1006 HydrophobicContact CB-CB 3.91Å; K985-C1006 HydrophobicContact CD-CB 4.35Å; K985-C1006 HydrophobicContact CG-CB 4.27Å; N1004-C1006 PolarHBondContact O-N 2.82Å
1007	D	79.1	Confident	85.4	Confident	125 Å²	125	45 Å²	45	67%	0.668	25%	0.253	S	S	*	.			trans	-76.3	130.3	160	-176	13.6	0	0	0	109.1	S1009	D1007-S1009 VanDerWaalsContact CG-OG 3.28Å; D1007-S1009 WeakPolarHBondContact OD1-CB 3.36Å; D1007-S1009 PolarHBondContact OD1-N 2.95Å; D1007-S1009 PolarHBondContact OD1-OG 3.11Å; D1007-S1009 VanDerWaalsContact OD1-OG 3.11Å; D1007-S1009 PolarHBondContact OD2-OG 2.84Å
1008	C	81.5	Confident	85	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.054	28%	0.278	C	S	.	.			trans	-125.9	23.9	-179.3	-63.8	0	0	0	0	111.4	A872 C980 K985 Q1010 F1011	A872-C1008 HydrophobicContact CB-CB 3.81Å; C980-C1008 HydrophobicContact CB-CB 4Å; C980-C1008 WeakPolarHBondContact CB-SG 3.44Å; C980-C1008 WeakPolarHBondContact SG-CB 3.29Å; C980-C1008 CovalentContact SG-SG 2.04Å; C980-C1008 PolarHBondContact SG-SG 3.46Å; K985-C1008 VanDerWaalsContact CB-SG 3.58Å; K985-C1008 HydrophobicContact CD-CB 4.31Å; K985-C1008 WeakPolarHBondContact CD-SG 3.39Å; C1008-Q1010 PolarHBondContact O-N 2.83Å; C1008-F1011 HydrophobicContact CB-CD2 4.31Å; C1008-F1011 PolarHBondContact O-N 2.89Å
1009	S	76.9	Confident	84.6	Confident	88 Å²	88	53.9 Å²	53.9	62%	0.615	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-14.6	-178.4	52.2	0	0	0	0	115.7	D1007 F1011	D1007-S1009 VanDerWaalsContact CG-OG 3.28Å; D1007-S1009 WeakPolarHBondContact OD1-CB 3.36Å; D1007-S1009 PolarHBondContact OD1-N 2.95Å; D1007-S1009 PolarHBondContact OD1-OG 3.11Å; D1007-S1009 VanDerWaalsContact OD1-OG 3.11Å; D1007-S1009 PolarHBondContact OD2-OG 2.84Å; S1009-F1011 PolarHBondContact O-N 3.13Å
1010	Q	78.3	Confident	84.2	Confident	101 Å²	101	58 Å²	58	47%	0.472	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.7	168.1	69.6	178.8	6.7	0	0	113.8	C1008 G1012	C1008-Q1010 PolarHBondContact O-N 2.83Å; Q1010-G1012 PolarHBondContact O-N 3.28Å
1011	F	78.8	Confident	83.8	Confident	67 Å²	67	59.8 Å²	59.8	29%	0.294	33%	0.328	S	S	.	.	S	Bend	trans	-87.6	89.8	169	-58.1	-76	0	0	0	107.9	A872 I978 C1008 S1009	A872-F1011 HydrophobicContact CB-CB 3.85Å; A872-F1011 HydrophobicContact CB-CD2 3.64Å; A872-F1011 HydrophobicContact CB-CG 4.01Å; I978-F1011 HydrophobicContact CG2-CD2 4.49Å; I978-F1011 HydrophobicContact CG2-CE2 3.79Å; I978-F1011 HydrophobicContact CG2-CZ 4.3Å; C1008-F1011 HydrophobicContact CB-CD2 4.31Å; C1008-F1011 PolarHBondContact O-N 2.89Å; S1009-F1011 PolarHBondContact O-N 3.13Å
1012	G	80.9	Confident	83.1	Confident	44 Å²	44	67 Å²	67	45%	0.454	36%	0.364	S	S	.	.			trans	-53.9	157.6	179.6	0	0	0	0	0	113.4	Q1010	Q1010-G1012 PolarHBondContact O-N 3.28Å
1013	P	86.8	Confident	82.3	Confident	89 Å²	89	70.6 Å²	70.6	58%	0.578	38%	0.378	S	S	*	.			trans	-59.8	139.6	-175.7	25.7	-34.7	0	0	0	111.3
1014	I	87.4	Confident	81.8	Confident	37 Å²	37	75.5 Å²	75.5	19%	0.19	40%	0.404	C	S	.	.			trans	-92.4	101.9	172.5	-61.4	173.9	0	0	0	106.7	F865 G867 M874 N875 L878 F965	F865-I1014 VanDerWaalsContact CD1-O 3.26Å; F865-I1014 WeakPolarHBondContact CD1-O 3.44Å; F865-I1014 HydrophobicContact CE1-CB 4.49Å; F865-I1014 HydrophobicContact CE1-CG2 4.15Å; F865-I1014 WeakPolarHBondContact CE1-O 3.43Å; G867-I1014 CarbonylContact C-O 3.56Å; G867-I1014 PolarHBondContact O-N 3.02Å; M874-I1014 HydrophobicContact CB-CD1 4.17Å; M874-I1014 HydrophobicContact CG-CD1 4.07Å; N875-I1014 HydrophobicContact CB-CD1 4.06Å; L878-I1014 HydrophobicContact CD1-CD1 4.14Å; F965-I1014 HydrophobicContact CE1-CG2 4.42Å; F965-I1014 HydrophobicContact CE2-CG2 4.03Å; F965-I1014 HydrophobicContact CZ-CG2 3.55Å
1015	T	85.9	Confident	81.3	Confident	45 Å²	45	80.3 Å²	80.3	28%	0.276	42%	0.424	S	S	.	.			trans	-85.7	163.7	177	69.3	0	0	0	0	112	E868 D1017	E868-T1015 HydrophobicContact CG-CG2 4.42Å; T1015-D1017 WeakPolarHBondContact CB-OD2 3.12Å; T1015-D1017 PolarHBondContact OG1-OD2 3.13Å
1016	M	83.7	Confident	81.1	Confident	26 Å²	26	78.6 Å²	78.6	13%	0.128	43%	0.427	C	S	.	.			trans	-106.4	16	171	-70.2	-171.7	54.9	0	0	112.5	K584 F852 F865 A964 F965	K584-M1016 VanDerWaalsContact O-CE 3.26Å; K584-M1016 WeakPolarHBondContact O-CE 3.13Å; F852-M1016 HydrophobicContact CE1-SD 4.49Å; F852-M1016 HydrophobicContact CE2-SD 4.49Å; F852-M1016 HydrophobicContact CZ-CE 4.22Å; F852-M1016 HydrophobicContact CZ-SD 3.83Å; F865-M1016 HydrophobicContact CB-SD 4.27Å; F865-M1016 HydrophobicContact CD1-CG 3.99Å; F865-M1016 HydrophobicContact CD1-SD 4.3Å; F865-M1016 HydrophobicContact CD2-CG 4.38Å; F865-M1016 HydrophobicContact CD2-SD 3.63Å; F865-M1016 HydrophobicContact CE1-CG 4.29Å; F865-M1016 HydrophobicContact CE2-SD 4.01Å; F865-M1016 HydrophobicContact CG-CG 4.05Å; F865-M1016 HydrophobicContact CG-SD 3.8Å; A964-M1016 HydrophobicContact CB-CE 4.08Å; F965-M1016 HydrophobicContact CD2-CG 3.97Å; F965-M1016 HydrophobicContact CD2-SD 4.02Å; F965-M1016 HydrophobicContact CE2-CG 3.9Å
1017	D	83.6	Confident	80.8	Confident	90 Å²	90	81.8 Å²	81.8	48%	0.481	44%	0.443	S	S	.	.			trans	-65.4	145.2	-176.5	-62.3	-53.8	0	0	0	111.9	T1015 F1019	T1015-D1017 WeakPolarHBondContact CB-OD2 3.12Å; T1015-D1017 PolarHBondContact OG1-OD2 3.13Å; D1017-F1019 WeakPolarHBondContact O-CD2 3.27Å; D1017-F1019 WeakPolarHBondContact O-CE2 3.47Å
1018	P	84.2	Confident	80.7	Confident	81 Å²	81	79.8 Å²	79.8	53%	0.526	43%	0.428	S	S	.	.			trans	-75.4	138.4	175.5	30.6	-34	0	0	0	112.2	T960	T960-P1018 HydrophobicContact CG2-CB 4.42Å
1019	F	86.2	Confident	80.5	Confident	112 Å²	112	80.4 Å²	80.4	49%	0.491	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.3	174.8	-58.3	-84.2	0	0	0	109.8	T960 E961 D1017	T960-F1019 CarbonylContact C-O 3.55Å; T960-F1019 WeakPolarHBondContact CA-O 3.43Å; T960-F1019 WeakPolarHBondContact CB-O 3.43Å; E961-F1019 HydrophobicContact CG-CB 4.43Å; E961-F1019 PolarHBondContact N-O 3.21Å; E961-F1019 PolarHBondContact O-N 3.46Å; D1017-F1019 WeakPolarHBondContact O-CD2 3.27Å; D1017-F1019 WeakPolarHBondContact O-CE2 3.47Å
1020	E	83.9	Confident	80.7	Confident	91 Å²	91	82.2 Å²	82.2	43%	0.425	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131	174.8	-177.5	168	-164.9	0	0	111.1	C958 M1022	C958-E1020 HydrophobicContact CB-CG 4.33Å; E1020-M1022 HydrophobicContact CG-SD 4.27Å; E1020-M1022 PolarHBondContact O-N 3.46Å; E1020-M1022 VanDerWaalsContact O-N 3.1Å
1021	I	83.3	Confident	80.6	Confident	37 Å²	37	82.9 Å²	82.9	19%	0.19	43%	0.429	C	S	.	.			trans	-81.7	92.5	179	-53.6	177.6	0	0	0	108.9	Y889 D959 E961 Y1023	Y889-I1021 HydrophobicContact CD1-CD1 3.82Å; Y889-I1021 HydrophobicContact CE1-CD1 4.12Å; D959-I1021 HydrophobicContact CB-CB 4.22Å; D959-I1021 HydrophobicContact CB-CD1 4.1Å; D959-I1021 HydrophobicContact CB-CG1 4.42Å; D959-I1021 PolarHBondContact O-N 2.9Å; E961-I1021 HydrophobicContact CB-CD1 4.11Å; E961-I1021 HydrophobicContact CB-CG1 4.21Å; E961-I1021 HydrophobicContact CG-CG1 4.15Å; I1021-Y1023 HydrophobicContact CB-CE2 4.42Å; I1021-Y1023 HydrophobicContact CG2-CD1 4.12Å; I1021-Y1023 HydrophobicContact CG2-CE1 3.49Å; I1021-Y1023 VanDerWaalsContact CG2-CE1 3.49Å; I1021-Y1023 HydrophobicContact CG2-CE2 4.2Å; I1021-Y1023 WeakPolarHBondContact O-CD2 3.47Å; I1021-Y1023 PolarHBondContact O-N 3.19Å; I1021-Y1023 VanDerWaalsContact O-N 3.15Å
1022	M	77.8	Confident	80.6	Confident	152 Å²	152	80.5 Å²	80.5	75%	0.749	42%	0.419	S	S	*	.			trans	-72.9	103.2	175.1	-66.7	-62.3	-69.1	0	0	110.9	E1020	E1020-M1022 HydrophobicContact CG-SD 4.27Å; E1020-M1022 PolarHBondContact O-N 3.46Å; E1020-M1022 VanDerWaalsContact O-N 3.1Å
1023	Y	74.6	Confident	80.3	Confident	75 Å²	75	83.5 Å²	83.5	29%	0.294	42%	0.42	S	S	.	.			trans	-76	123.2	175	-60.6	-67	0	0	0	111.9	D959 I1021 L1027 R1031	D959-Y1023 HydrophobicContact CB-CE2 4.12Å; D959-Y1023 WeakPolarHBondContact CB-OH 3.22Å; D959-Y1023 WeakPolarHBondContact OD2-CE2 3.44Å; D959-Y1023 VanDerWaalsContact OD2-CZ 3.23Å; D959-Y1023 PolarHBondContact OD2-OH 3.11Å; I1021-Y1023 HydrophobicContact CB-CE2 4.42Å; I1021-Y1023 HydrophobicContact CG2-CD1 4.12Å; I1021-Y1023 HydrophobicContact CG2-CE1 3.49Å; I1021-Y1023 VanDerWaalsContact CG2-CE1 3.49Å; I1021-Y1023 HydrophobicContact CG2-CE2 4.2Å; I1021-Y1023 WeakPolarHBondContact O-CD2 3.47Å; I1021-Y1023 PolarHBondContact O-N 3.19Å; I1021-Y1023 VanDerWaalsContact O-N 3.15Å; Y1023-L1027 HydrophobicContact CD1-CD2 3.63Å; Y1023-L1027 HydrophobicContact CE1-CD2 4.29Å; Y1023-R1031 PolarHBondContact OH-NH1 3.41Å
1024	N	78.6	Confident	79.6	Confident	118 Å²	118	86.4 Å²	86.4	63%	0.631	43%	0.428	S	S	*	.			trans	-57.1	144.2	168.1	-67.3	-23.8	0	0	0	110.6	S1026 L1027 K1028	N1024-S1026 VanDerWaalsContact C-N 3.25Å; N1024-S1026 PolarHBondContact O-N 3.14Å; N1024-S1026 VanDerWaalsContact O-N 3.16Å; N1024-L1027 HydrophobicContact CB-CB 4.49Å; N1024-L1027 WeakPolarHBondContact O-CA 3.46Å; N1024-L1027 PolarHBondContact O-N 2.89Å; N1024-K1028 PolarHBondContact O-N 3.03Å
1025	E	72.3	Confident	78.9	Confident	173 Å²	173	88 Å²	88	81%	0.808	43%	0.434	S	S	*	.	H	α-helix	trans	-52.6	-41.1	-178	-64.2	-178.3	156.4	0	0	113	L1027 K1028 C1029	E1025-L1027 VanDerWaalsContact C-N 3.33Å; E1025-L1027 PolarHBondContact O-N 2.7Å; E1025-K1028 PolarHBondContact O-N 2.67Å; E1025-C1029 WeakPolarHBondContact O-CB 3.2Å; E1025-C1029 PolarHBondContact O-N 3.21Å
1026	S	76.9	Confident	78.8	Confident	82 Å²	82	89.4 Å²	89.4	57%	0.573	44%	0.436	S	S	*	.	H	α-helix	trans	-60.6	-40.7	175.9	58	0	0	0	0	112.8	N1024 C1029 E1030	N1024-S1026 VanDerWaalsContact C-N 3.25Å; N1024-S1026 PolarHBondContact O-N 3.14Å; N1024-S1026 VanDerWaalsContact O-N 3.16Å; S1026-C1029 PolarHBondContact O-N 3.4Å; S1026-E1030 WeakPolarHBondContact O-CG 3.43Å; S1026-E1030 PolarHBondContact O-N 2.88Å
1027	L	77.1	Confident	78.8	Confident	76 Å²	76	92.6 Å²	92.6	40%	0.398	45%	0.454	S	S	.	.	H	α-helix	trans	-78.2	-31.3	-178.5	-161.7	131.3	0	0	0	111.8	Y1023 N1024 E1025 C1029 E1030 R1031	Y1023-L1027 HydrophobicContact CD1-CD2 3.63Å; Y1023-L1027 HydrophobicContact CE1-CD2 4.29Å; N1024-L1027 HydrophobicContact CB-CB 4.49Å; N1024-L1027 WeakPolarHBondContact O-CA 3.46Å; N1024-L1027 PolarHBondContact O-N 2.89Å; E1025-L1027 VanDerWaalsContact C-N 3.33Å; E1025-L1027 PolarHBondContact O-N 2.7Å; L1027-C1029 VanDerWaalsContact C-N 3.34Å; L1027-E1030 PolarHBondContact O-N 3.19Å; L1027-R1031 WeakPolarHBondContact O-CG 3.44Å; L1027-R1031 PolarHBondContact O-N 2.85Å
1028	K	75.6	Confident	78.9	Confident	83 Å²	83	90.3 Å²	90.3	36%	0.361	44%	0.439	S	S	.	.	H	α-helix	trans	-59.2	-47.1	166.8	-168.6	178.8	-175.9	176.6	0	110.2	H317 N1024 E1025 R1031 L1032	H317-K1028 PolarHBondContact CE1-NZ 3.26Å; H317-K1028 PolarHBondContact ND1-NZ 2.82Å; N1024-K1028 PolarHBondContact O-N 3.03Å; E1025-K1028 PolarHBondContact O-N 2.67Å; K1028-R1031 PolarHBondContact O-N 2.83Å; K1028-L1032 WeakPolarHBondContact O-CG 3.35Å; K1028-L1032 PolarHBondContact O-N 3.21Å
1029	C	78.7	Confident	79.1	Confident	21 Å²	21	90 Å²	90	14%	0.142	43%	0.427	C	S	.	.	H	α-helix	trans	-65.7	-35	175.9	-84.9	0	0	0	0	114.5	C302 E1025 S1026 L1027 L1032 K1033	C302-C1029 HydrophobicContact CB-CB 3.67Å; C302-C1029 WeakPolarHBondContact CB-SG 3.27Å; C302-C1029 WeakPolarHBondContact SG-CB 3.48Å; C302-C1029 CovalentContact SG-SG 2.03Å; C302-C1029 PolarHBondContact SG-SG 3Å; E1025-C1029 WeakPolarHBondContact O-CB 3.2Å; E1025-C1029 PolarHBondContact O-N 3.21Å; S1026-C1029 PolarHBondContact O-N 3.4Å; L1027-C1029 VanDerWaalsContact C-N 3.34Å; C1029-L1032 PolarHBondContact O-N 3.41Å; C1029-K1033 WeakPolarHBondContact O-CG 3.09Å; C1029-K1033 PolarHBondContact O-N 2.95Å; C1029-K1033 VanDerWaalsContact O-N 3.14Å
1030	E	79.8	Confident	79.1	Confident	126 Å²	126	88.2 Å²	88.2	59%	0.589	42%	0.417	S	S	*	.	H	α-helix	trans	-64.4	-42.3	170.9	-76.2	178.9	173.8	0	0	111.4	S1026 L1027 L1032 K1033 M1034	S1026-E1030 WeakPolarHBondContact O-CG 3.43Å; S1026-E1030 PolarHBondContact O-N 2.88Å; L1027-E1030 PolarHBondContact O-N 3.19Å; E1030-L1032 PolarHBondContact O-N 2.91Å; E1030-K1033 PolarHBondContact O-N 3.19Å; E1030-M1034 VanDerWaalsContact O-CB 3.23Å; E1030-M1034 WeakPolarHBondContact O-CB 3.44Å; E1030-M1034 PolarHBondContact O-N 3.26Å
1031	R	77.3	Confident	79.1	Confident	116 Å²	116	86.2 Å²	86.2	44%	0.438	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-40.2	173.6	-72	-178.1	69.8	170.8	0.2	112.8	D959 Y1023 L1027 K1028 K1033 M1034	D959-R1031 IonicContact OD2-NH1 2.78Å; D959-R1031 PolarHBondContact OD2-NH1 2.86Å; Y1023-R1031 PolarHBondContact OH-NH1 3.41Å; L1027-R1031 WeakPolarHBondContact O-CG 3.44Å; L1027-R1031 PolarHBondContact O-N 2.85Å; K1028-R1031 PolarHBondContact O-N 2.83Å; R1031-K1033 VanDerWaalsContact C-N 3.28Å; R1031-K1033 PolarHBondContact O-N 3.05Å; R1031-M1034 PolarHBondContact O-N 3.09Å
1032	L	77.3	Confident	79	Confident	16 Å²	16	89.5 Å²	89.5	8%	0.084	43%	0.43	C	S	.	.	H	α-helix	trans	-64.2	-30.5	175.4	-67.9	172	0	0	0	113.1	L303 N314 K1028 C1029 E1030	L303-L1032 HydrophobicContact CD2-CB 4.19Å; N314-L1032 WeakPolarHBondContact OD1-CD2 3.33Å; K1028-L1032 WeakPolarHBondContact O-CG 3.35Å; K1028-L1032 PolarHBondContact O-N 3.21Å; C1029-L1032 PolarHBondContact O-N 3.41Å; E1030-L1032 PolarHBondContact O-N 2.91Å
1033	K	74.9	Confident	79.2	Confident	108 Å²	108	85 Å²	85	47%	0.47	41%	0.411	S	S	.	.	H	α-helix	trans	-83.9	-31.2	176	-72.3	176.8	-179.7	-175.9	0	113.5	C302 L303 C1029 E1030 R1031 Q1035	C302-K1033 WeakPolarHBondContact O-CE 3.37Å; C302-K1033 PolarHBondContact O-NZ 3.09Å; L303-K1033 HydrophobicContact CD2-CG 3.84Å; C1029-K1033 WeakPolarHBondContact O-CG 3.09Å; C1029-K1033 PolarHBondContact O-N 2.95Å; C1029-K1033 VanDerWaalsContact O-N 3.14Å; E1030-K1033 PolarHBondContact O-N 3.19Å; R1031-K1033 VanDerWaalsContact C-N 3.28Å; R1031-K1033 PolarHBondContact O-N 3.05Å; K1033-Q1035 PolarHBondContact O-N 2.89Å
1034	M	71.4	Confident	79.8	Confident	149 Å²	149	83.8 Å²	83.8	73%	0.734	41%	0.413	S	S	*	.			trans	-79.8	75.5	-176.3	-169.9	167.2	-179.7	0	0	110.2	E1030 R1031 K1036	E1030-M1034 VanDerWaalsContact O-CB 3.23Å; E1030-M1034 WeakPolarHBondContact O-CB 3.44Å; E1030-M1034 PolarHBondContact O-N 3.26Å; R1031-M1034 PolarHBondContact O-N 3.09Å; M1034-K1036 PolarHBondContact O-N 2.74Å
1035	Q	74.3	Confident	80.1	Confident	72 Å²	72	79 Å²	79	34%	0.336	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.8	123.6	170.4	-65.1	172.1	5.3	0	0	108.9	L307 K1033	L307-Q1035 PolarHBondContact O-NE2 3.41Å; K1033-Q1035 PolarHBondContact O-N 2.89Å
1036	K	82.4	Confident	80.7	Confident	73 Å²	73	73.1 Å²	73.1	32%	0.317	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-70.5	154.6	173.4	-64.8	-175.5	180	-175.6	0	110.3	D547 S549 M1034 R1038	D547-K1036 IonicContact OD1-NZ 2.7Å; D547-K1036 WeakPolarHBondContact OD2-CD 3.49Å; D547-K1036 IonicContact OD2-NZ 2.73Å; D547-K1036 PolarHBondContact OD2-NZ 3.1Å; S549-K1036 PolarHBondContact OG-NZ 2.84Å; M1034-K1036 PolarHBondContact O-N 2.74Å; K1036-R1038 PolarHBondContact O-N 2.87Å
1037	D	84.2	Confident	81	Confident	93 Å²	93	73.6 Å²	73.6	50%	0.497	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-56.9	132.6	173.6	-85.6	-3.2	0	0	0	110.3	R561 N562	R561-D1037 PolarHBondContact NH1-O 3.27Å; N562-D1037 HydrophobicContact CB-CB 4.43Å
1038	R	86.5	Confident	81.4	Confident	42 Å²	42	71.5 Å²	71.5	16%	0.158	34%	0.344	C	S	.	.			trans	-139.8	157.4	177.5	68.1	177.8	-169.2	107	4.8	110.2	D284 K1036	D284-R1038 IonicContact OD1-NH1 2.77Å; D284-R1038 PolarHBondContact OD1-NH1 2.92Å; K1036-R1038 PolarHBondContact O-N 2.87Å
1039	R	87.5	Confident	81.7	Confident	74 Å²	74	72.5 Å²	72.5	28%	0.279	36%	0.358	S	S	.	.			trans	-104.9	119.4	171.9	176.5	173.5	174.6	156	-0.2	109.6	N518 V565 D1042	N518-R1039 HydrophobicContact CB-CB 4.28Å; N518-R1039 WeakPolarHBondContact CB-O 3.38Å; N518-R1039 PolarHBondContact ND2-O 3.02Å; N518-R1039 PolarHBondContact O-N 3.39Å; V565-R1039 HydrophobicContact CG1-CB 4.29Å; V565-R1039 WeakPolarHBondContact O-CB 3.46Å; R1039-D1042 IonicContact CZ-OD1 3.13Å; R1039-D1042 IonicContact NE-OD1 3.65Å; R1039-D1042 IonicContact NH2-OD1 3.73Å; R1039-D1042 PolarHBondContact NH2-OD1 2.86Å; R1039-D1042 IonicContact NH2-OD2 3.73Å
1040	R	86.7	Confident	81.8	Confident	76 Å²	76	76.2 Å²	76.2	29%	0.287	37%	0.374	S	S	.	.			trans	-58.1	153.3	173.5	-65	-176.8	-179.3	125	2.5	111.7	G351 G353 E355	G351-R1040 PolarHBondContact O-NH2 3.35Å; G353-R1040 PolarHBondContact O-NE 3.05Å; G353-R1040 PolarHBondContact O-NH2 2.89Å; E355-R1040 IonicContact OE1-CZ 3.24Å; E355-R1040 IonicContact OE1-NH1 2.83Å; E355-R1040 PolarHBondContact OE1-NH1 2.82Å; E355-R1040 IonicContact OE1-NH2 3.92Å; E355-R1040 PolarHBondContact OE1-NH2 2.88Å; E355-R1040 IonicContact OE2-CZ 3.49Å; E355-R1040 IonicContact OE2-NH1 3.88Å; E355-R1040 PolarHBondContact OE2-NH1 2.94Å
1041	P	84.7	Confident	82	Confident	49 Å²	49	70.8 Å²	70.8	32%	0.318	35%	0.348	S	S	.	.			trans	-51.6	146.7	164.5	-28.9	38.5	0	0	0	112.2	P249 D284 T1043	P249-P1041 HydrophobicContact CG-CG 3.84Å; D284-P1041 WeakPolarHBondContact OD2-CG 3.4Å; P1041-T1043 VanDerWaalsContact C-N 3.33Å
1042	D	79.6	Confident	81.9	Confident	105 Å²	105	67.4 Å²	67.4	56%	0.561	34%	0.339	S	S	*	.	S	Bend	trans	-79.3	-14.3	-174.4	-62.3	-64.6	0	0	0	112.7	R567 R1039	R567-D1042 IonicContact CZ-OD2 3.67Å; R567-D1042 IonicContact NH1-OD1 3.49Å; R567-D1042 IonicContact NH1-OD2 3.79Å; R567-D1042 PolarHBondContact NH1-OD2 2.97Å; R567-D1042 IonicContact NH2-OD2 3.35Å; R567-D1042 PolarHBondContact NH2-OD2 3.07Å; R1039-D1042 IonicContact CZ-OD1 3.13Å; R1039-D1042 IonicContact NE-OD1 3.65Å; R1039-D1042 IonicContact NH2-OD1 3.73Å; R1039-D1042 PolarHBondContact NH2-OD1 2.86Å; R1039-D1042 IonicContact NH2-OD2 3.73Å
1043	T	83.1	Confident	81.5	Confident	59 Å²	59	68 Å²	68	36%	0.362	35%	0.345	S	S	.	.			trans	-124.1	152.9	177.2	54.7	0	0	0	0	112.5	D444 P1041	D444-T1043 VanDerWaalsContact CG-OG1 3.29Å; D444-T1043 PolarHBondContact OD1-OG1 3.2Å; D444-T1043 PolarHBondContact OD2-OG1 3.47Å; P1041-T1043 VanDerWaalsContact C-N 3.33Å
1044	C	87	Confident	81.4	Confident	49 Å²	49	70.8 Å²	70.8	33%	0.331	36%	0.361	S	S	.	.			trans	-161.9	129.7	-179	161.7	0	0	0	0	111.2	C356	C356-C1044 WeakPolarHBondContact CA-SG 3.48Å; C356-C1044 HydrophobicContact CB-CB 4.04Å; C356-C1044 WeakPolarHBondContact CB-SG 3.44Å; C356-C1044 WeakPolarHBondContact SG-CB 3.38Å; C356-C1044 CovalentContact SG-SG 2.03Å; C356-C1044 PolarHBondContact SG-SG 3.36Å
1045	H	85.7	Confident	81.5	Confident	18 Å²	18	66.9 Å²	66.9	8%	0.083	34%	0.341	C	S	.	.			trans	-128.1	77.3	-175.2	-59.5	-94.1	0	0	0	111.5	S248 P436 K437 D440 E442	S248-H1045 PolarHBondContact OG-N 2.98Å; P436-H1045 HydrophobicContact CB-CB 4.34Å; P436-H1045 WeakPolarHBondContact CB-O 3.44Å; K437-H1045 HydrophobicContact CB-CB 4.14Å; D440-H1045 IonicContact OD2-CE1 3.53Å; D440-H1045 IonicContact OD2-CG 3.74Å; D440-H1045 IonicContact OD2-ND1 3.62Å; D440-H1045 PolarHBondContact OD2-ND1 3.44Å; E442-H1045 VanDerWaalsContact CD-CE1 3.4Å; E442-H1045 IonicContact OE1-CE1 3.03Å; E442-H1045 IonicContact OE2-CE1 3.71Å; E442-H1045 PolarHBondContact OE2-CE1 3.14Å; E442-H1045 IonicContact OE2-NE2 2.7Å; E442-H1045 PolarHBondContact OE2-NE2 2.87Å
1046	P	83.6	Confident	81.6	Confident	48 Å²	48	64 Å²	64	31%	0.312	33%	0.329	S	S	.	.			trans	-84.4	-27.3	-171.6	32.6	-31.7	0	0	0	113.4	R386	R386-P1046 PolarHBondContact NH2-O 3.38Å
1047	F	83.9	Confident	80.8	Confident	93 Å²	93	61.5 Å²	61.5	41%	0.408	32%	0.324	S	S	.	.			trans	-151.5	138.9	-171.1	177.4	-81.4	0	0	0	111.1	K410 P1049	K410-F1047 HydrophobicContact CD-CD2 4.41Å; K410-F1047 HydrophobicContact CD-CE2 4.14Å; F1047-P1049 HydrophobicContact CE1-CB 4.33Å
1048	H	84.4	Confident	79.4	Confident	32 Å²	32	60 Å²	60	15%	0.148	33%	0.33	C	S	.	.			trans	-129.2	139.7	166.9	-170.5	-92.7	0	0	0	110.1	P436 I439 D440 E1050 E1051	P436-H1048 HydrophobicContact CB-CB 4.02Å; I439-H1048 HydrophobicContact CD1-CB 4.31Å; I439-H1048 WeakPolarHBondContact CG2-CE1 3.42Å; I439-H1048 WeakPolarHBondContact CG2-ND1 3.41Å; D440-H1048 IonicContact OD1-CD2 2.63Å; D440-H1048 PolarHBondContact OD1-CD2 3.16Å; D440-H1048 IonicContact OD1-NE2 2.71Å; H1048-E1050 IonicContact CE1-OE2 3.16Å; H1048-E1050 PolarHBondContact ND1-N 3.46Å; H1048-E1050 VanDerWaalsContact ND1-N 3.16Å; H1048-E1050 PolarHBondContact O-N 3.08Å; H1048-E1051 VanDerWaalsContact O-CB 3.23Å; H1048-E1051 WeakPolarHBondContact O-CB 3.19Å; H1048-E1051 PolarHBondContact O-N 2.96Å
1049	P	82.4	Confident	77.2	Confident	103 Å²	103	61.4 Å²	61.4	67%	0.669	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.9	-176.9	25.2	-35.4	0	0	0	114.2	F1047 E1051	F1047-P1049 HydrophobicContact CE1-CB 4.33Å; P1049-E1051 VanDerWaalsContact C-N 3.28Å; P1049-E1051 PolarHBondContact O-N 3.05Å
1050	E	81.3	Confident	74.8	Confident	99 Å²	99	62 Å²	62	46%	0.463	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.5	178.7	-54.9	-177.6	155.5	0	0	113.9	H1048 N1052	H1048-E1050 IonicContact CE1-OE2 3.16Å; H1048-E1050 PolarHBondContact ND1-N 3.46Å; H1048-E1050 VanDerWaalsContact ND1-N 3.16Å; H1048-E1050 PolarHBondContact O-N 3.08Å; E1050-N1052 PolarHBondContact O-N 3.39Å
1051	E	82.9	Confident	72.2	Confident	13 Å²	13	62.6 Å²	62.6	6%	0.061	40%	0.396	C	S	.	.			trans	-63	120.3	-179.3	179.6	-173.2	-141.2	0	0	112.1	R386 K410 R435 I439 H1048 P1049 S1053	R386-E1051 IonicContact CZ-OE1 3.29Å; R386-E1051 VanDerWaalsContact CZ-OE1 3.24Å; R386-E1051 IonicContact NH1-OE1 3.73Å; R386-E1051 PolarHBondContact NH1-OE1 3.44Å; R386-E1051 IonicContact NH1-OE2 2.68Å; R386-E1051 IonicContact NH2-OE1 3.18Å; R386-E1051 PolarHBondContact NH2-OE1 3.36Å; R386-E1051 IonicContact NH2-OE2 3.79Å; R386-E1051 PolarHBondContact NH2-OE2 3.38Å; K410-E1051 WeakPolarHBondContact CE-OE2 3.34Å; K410-E1051 IonicContact NZ-OE2 3.71Å; K410-E1051 PolarHBondContact NZ-OE2 3.12Å; R435-E1051 HydrophobicContact CB-CG 4.29Å; I439-E1051 HydrophobicContact CD1-CB 4.14Å; H1048-E1051 VanDerWaalsContact O-CB 3.23Å; H1048-E1051 WeakPolarHBondContact O-CB 3.19Å; H1048-E1051 PolarHBondContact O-N 2.96Å; P1049-E1051 VanDerWaalsContact C-N 3.28Å; P1049-E1051 PolarHBondContact O-N 3.05Å; E1051-S1053 PolarHBondContact O-N 3.39Å; E1051-S1053 VanDerWaalsContact O-N 3.16Å
1052	N	76.8	Confident	69.6	Low	45 Å²	45	68.1 Å²	68.1	24%	0.241	42%	0.422	C	S	.	.			trans	-70	108.4	173.5	-178.2	12.3	0	0	0	111.5	N481 E1050 M1054	N481-N1052 VanDerWaalsContact O-CB 3.22Å; N481-N1052 WeakPolarHBondContact O-CB 3.38Å; N481-N1052 PolarHBondContact O-N 3.43Å; N481-N1052 VanDerWaalsContact O-N 3.09Å; E1050-N1052 PolarHBondContact O-N 3.39Å; N1052-M1054 WeakPolarHBondContact OD1-CB 3.3Å; N1052-M1054 PolarHBondContact OD1-N 2.9Å
1053	S	69.2	Low	67.4	Low	29 Å²	29	68.9 Å²	68.9	20%	0.203	43%	0.431	C	S	.	.			trans	-91.5	4.5	177.2	75	0	0	0	0	114.8	E1051	E1051-S1053 PolarHBondContact O-N 3.39Å; E1051-S1053 VanDerWaalsContact O-N 3.16Å
1054	M	71.1	Confident	65.3	Low	165 Å²	165	71.4 Å²	71.4	81%	0.813	45%	0.446	S	S	*	.			trans	-82	-16.9	-178.4	-59.8	-171.9	-176.3	0	0	113.3	N1052 C1056	N1052-M1054 WeakPolarHBondContact OD1-CB 3.3Å; N1052-M1054 PolarHBondContact OD1-N 2.9Å; M1054-C1056 PolarHBondContact O-N 3.07Å; M1054-C1056 PolarHBondContact O-SG 3.38Å; M1054-C1056 VanDerWaalsContact O-SG 3.38Å
1055	E	74.1	Confident	63.1	Low	67 Å²	67	71.8 Å²	71.8	31%	0.313	45%	0.449	S	S	.	.			trans	-89.9	85.2	176	-72.8	174.5	-170.5	0	0	109.9	R435 R482	R435-E1055 PolarHBondContact NH1-O 3.46Å; R435-E1055 PolarHBondContact NH2-O 3.47Å; R482-E1055 IonicContact CZ-OE1 3.37Å; R482-E1055 IonicContact NE-OE1 3.95Å; R482-E1055 PolarHBondContact NE-OE1 3.43Å; R482-E1055 IonicContact NE-OE2 2.68Å; R482-E1055 IonicContact NH2-OE1 3.7Å; R482-E1055 PolarHBondContact NH2-OE1 2.88Å
1056	C	75.9	Confident	61.4	Low	11 Å²	11	77.8 Å²	77.8	7%	0.074	48%	0.481	C	S	.	.			trans	-123.7	13.5	-167.3	50.3	0	0	0	0	115.2	C407 F413 M1054	C407-C1056 HydrophobicContact CB-CB 3.72Å; C407-C1056 WeakPolarHBondContact CB-SG 3.23Å; C407-C1056 WeakPolarHBondContact SG-CB 3.34Å; C407-C1056 CovalentContact SG-SG 2.03Å; C407-C1056 PolarHBondContact SG-SG 3.48Å; F413-C1056 WeakPolarHBondContact CB-O 3.37Å; F413-C1056 PolarHBondContact N-O 2.95Å; M1054-C1056 PolarHBondContact O-N 3.07Å; M1054-C1056 PolarHBondContact O-SG 3.38Å; M1054-C1056 VanDerWaalsContact O-SG 3.38Å
1057	G	65.9	Low	60.1	Low	22 Å²	22	79.4 Å²	79.4	23%	0.227	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	171.6	133.1	167.9	0	0	0	0	0	114.4	F413 A1059	F413-G1057 WeakPolarHBondContact O-CA 3.37Å; G1057-A1059 PolarHBondContact O-N 2.92Å
1058	G	55.3	Low	58.8	Low	61 Å²	61	77.2 Å²	77.2	63%	0.629	49%	0.493	S	S	*	.			trans	-87.5	89.8	176.5	0	0	0	0	0	112	Y412	Y412-G1058 PolarHBondContact OH-N 3.2Å
1059	A	40.8	Very low	57.8	Low	72 Å²	72	79.1 Å²	79.1	60%	0.595	51%	0.507	S	S	*	.			trans	-82.9	132.4	158.7	0	0	0	0	0	108	G1057 S1061	G1057-A1059 PolarHBondContact O-N 2.92Å; A1059-S1061 PolarHBondContact O-N 2.93Å
1060	G	37.3	Very low	57.1	Low	85 Å²	85	79.4 Å²	79.4	88%	0.876	50%	0.502	S	S	*	.			trans	-67.3	69.3	168	0	0	0	0	0	111	L1062	G1060-L1062 PolarHBondContact O-N 3.5Å
1061	S	30.7	Very low	56.4	Low	90 Å²	90	80.3 Å²	80.3	63%	0.629	51%	0.51	S	S	*	.			trans	-69.2	103.1	171.6	64.5	0	0	0	0	107.6	A1059 T1063	A1059-S1061 PolarHBondContact O-N 2.93Å; S1061-T1063 PolarHBondContact O-N 3.32Å
1062	L	31.5	Very low	55.7	Low	164 Å²	164	85.8 Å²	85.8	86%	0.859	54%	0.538	S	S	*	.			trans	-52.4	99.7	152.9	-79.9	161	0	0	0	106.5	G1060 T1064	G1060-L1062 PolarHBondContact O-N 3.5Å; L1062-T1064 VanDerWaalsContact C-N 3.32Å; L1062-T1064 PolarHBondContact O-N 3.48Å
1063	T	32.3	Very low	55.2	Low	122 Å²	122	86.1 Å²	86.1	75%	0.748	55%	0.548	S	S	*	.			trans	-63.3	99.7	174.4	48.9	0	0	0	0	106.4	S1061 S1065	S1061-T1063 PolarHBondContact O-N 3.32Å; T1063-S1065 PolarHBondContact O-N 2.84Å
1064	T	38.2	Very low	55.2	Low	111 Å²	111	88.7 Å²	88.7	68%	0.681	56%	0.559	S	S	*	*			trans	-58.2	107.3	175.8	35.4	0	0	0	0	107.2	L1062 L1066	L1062-T1064 VanDerWaalsContact C-N 3.32Å; L1062-T1064 PolarHBondContact O-N 3.48Å; T1064-L1066 PolarHBondContact O-N 2.68Å
1065	S	42	Very low	55	Low	57 Å²	57	86.5 Å²	86.5	40%	0.399	55%	0.548	S	S	.	.			trans	-61.1	129.6	-176.4	73.3	0	0	0	0	108	T1063 S1067 A1068 T1069	T1063-S1065 PolarHBondContact O-N 2.84Å; S1065-S1067 PolarHBondContact O-N 3.34Å; S1065-S1067 PolarHBondContact OG-OG 2.97Å; S1065-S1067 VanDerWaalsContact OG-OG 3.09Å; S1065-A1068 PolarHBondContact O-N 2.96Å; S1065-A1068 WeakPolarHBondContact OG-CB 3.36Å; S1065-A1068 PolarHBondContact OG-N 3.41Å; S1065-T1069 PolarHBondContact O-N 2.9Å
1066	L	50.3	Low	54.7	Low	144 Å²	144	86.8 Å²	86.8	75%	0.754	56%	0.561	S	S	*	*	H	α-helix	trans	-54	-33.6	-179.7	-113.9	84.1	0	0	0	110.5	T1064 T1069 L1070	T1064-L1066 PolarHBondContact O-N 2.68Å; L1066-T1069 WeakPolarHBondContact CA-OG1 3.28Å; L1066-T1069 PolarHBondContact O-N 3.28Å; L1066-T1069 PolarHBondContact O-OG1 3.19Å; L1066-L1070 WeakPolarHBondContact O-CB 3.45Å; L1066-L1070 PolarHBondContact O-N 2.85Å
1067	S	55.4	Low	54.2	Low	82 Å²	82	92.6 Å²	92.6	57%	0.573	59%	0.591	S	S	*	*	H	α-helix	trans	-60.3	-42.3	173.9	46	0	0	0	0	113.6	S1065 L1070 L1071	S1065-S1067 PolarHBondContact O-N 3.34Å; S1065-S1067 PolarHBondContact OG-OG 2.97Å; S1065-S1067 VanDerWaalsContact OG-OG 3.09Å; S1067-L1070 PolarHBondContact O-N 2.97Å; S1067-L1071 WeakPolarHBondContact O-CB 3.23Å; S1067-L1071 PolarHBondContact O-N 3.44Å
1068	A	57.3	Low	53.9	Low	47 Å²	47	100 Å²	100	39%	0.388	62%	0.618	S	S	.	*	H	α-helix	trans	-66.8	-41.6	176.4	0	0	0	0	0	112.1	S1065 L1071 L1072	S1065-A1068 PolarHBondContact O-N 2.96Å; S1065-A1068 WeakPolarHBondContact OG-CB 3.36Å; S1065-A1068 PolarHBondContact OG-N 3.41Å; A1068-L1071 PolarHBondContact O-N 2.91Å; A1068-L1072 WeakPolarHBondContact O-CG 3.45Å; A1068-L1072 PolarHBondContact O-N 3.38Å
1069	T	63.2	Low	53.6	Low	73 Å²	73	104.3 Å²	104.3	45%	0.448	63%	0.625	S	S	.	*	H	α-helix	trans	-66.7	-36.3	174.6	47.9	0	0	0	0	112.5	S1065 L1066 A1073	S1065-T1069 PolarHBondContact O-N 2.9Å; L1066-T1069 WeakPolarHBondContact CA-OG1 3.28Å; L1066-T1069 PolarHBondContact O-N 3.28Å; L1066-T1069 PolarHBondContact O-OG1 3.19Å; T1069-A1073 WeakPolarHBondContact O-CB 3.49Å; T1069-A1073 PolarHBondContact O-N 3.47Å
1070	L	66.9	Low	53.7	Low	109 Å²	109	115.5 Å²	115.5	57%	0.571	65%	0.652	S	S	*	*	H	α-helix	trans	-68.3	-38.6	175.1	-141.7	82.6	0	0	0	111.4	L1066 S1067 A1073 L1074	L1066-L1070 WeakPolarHBondContact O-CB 3.45Å; L1066-L1070 PolarHBondContact O-N 2.85Å; S1067-L1070 PolarHBondContact O-N 2.97Å; L1070-A1073 PolarHBondContact O-N 2.77Å; L1070-L1074 WeakPolarHBondContact O-CB 3.33Å; L1070-L1074 WeakPolarHBondContact O-CG 3.43Å; L1070-L1074 PolarHBondContact O-N 2.91Å
1071	L	67.8	Low	54.5	Low	118 Å²	118	117 Å²	117	62%	0.618	64%	0.641	S	S	*	*	H	α-helix	trans	-64	-42.8	177.2	-146.3	88.1	0	0	0	111.2	S1067 A1068 L1074 M1075	S1067-L1071 WeakPolarHBondContact O-CB 3.23Å; S1067-L1071 PolarHBondContact O-N 3.44Å; A1068-L1071 PolarHBondContact O-N 2.91Å; L1071-L1074 PolarHBondContact O-N 2.9Å; L1071-M1075 WeakPolarHBondContact O-CB 3.49Å; L1071-M1075 WeakPolarHBondContact O-CG 3.34Å; L1071-M1075 PolarHBondContact O-N 2.9Å
1072	L	66.9	Low	55.8	Low	127 Å²	127	118.4 Å²	118.4	67%	0.665	64%	0.641	S	S	*	*	H	α-helix	trans	-65.9	-39.9	175.6	-74.2	166.7	0	0	0	112.1	A1068 M1075 A1076	A1068-L1072 WeakPolarHBondContact O-CG 3.45Å; A1068-L1072 PolarHBondContact O-N 3.38Å; L1072-M1075 PolarHBondContact O-N 3.26Å; L1072-A1076 WeakPolarHBondContact O-CB 3.12Å; L1072-A1076 PolarHBondContact O-N 3.48Å
1073	A	66.3	Low	57.1	Low	53 Å²	53	115.9 Å²	115.9	44%	0.438	63%	0.629	S	S	.	*	H	α-helix	trans	-65	-39.1	174.1	0	0	0	0	0	112.5	T1069 L1070 A1076 L1077	T1069-A1073 WeakPolarHBondContact O-CB 3.49Å; T1069-A1073 PolarHBondContact O-N 3.47Å; L1070-A1073 PolarHBondContact O-N 2.77Å; A1073-A1076 PolarHBondContact O-N 3.26Å; A1073-L1077 WeakPolarHBondContact O-CG 3.36Å; A1073-L1077 PolarHBondContact O-N 2.95Å
1074	L	70.5	Confident	58.6	Low	83 Å²	83	115.5 Å²	115.5	44%	0.435	62%	0.622	S	S	.	*	H	α-helix	trans	-66.9	-43.8	174.2	-80.7	160.8	0	0	0	111.9	L1070 L1071 A1076 L1077 F1078	L1070-L1074 WeakPolarHBondContact O-CB 3.33Å; L1070-L1074 WeakPolarHBondContact O-CG 3.43Å; L1070-L1074 PolarHBondContact O-N 2.91Å; L1071-L1074 PolarHBondContact O-N 2.9Å; L1074-A1076 VanDerWaalsContact C-N 3.29Å; L1074-A1076 PolarHBondContact O-N 2.99Å; L1074-L1077 PolarHBondContact O-N 3.38Å; L1074-L1077 VanDerWaalsContact O-N 3.08Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.33Å; L1074-F1078 PolarHBondContact O-N 3.23Å; L1074-F1078 VanDerWaalsContact O-N 3.14Å
1075	M	67.2	Low	59.9	Low	119 Å²	119	115.8 Å²	115.8	59%	0.586	62%	0.619	S	S	*	*	H	α-helix	trans	-61.9	-36.5	175.6	-72.2	-75.8	-79.9	0	0	112.1	L1071 L1072 L1077 F1078	L1071-M1075 WeakPolarHBondContact O-CB 3.49Å; L1071-M1075 WeakPolarHBondContact O-CG 3.34Å; L1071-M1075 PolarHBondContact O-N 2.9Å; L1072-M1075 PolarHBondContact O-N 3.26Å; M1075-L1077 VanDerWaalsContact C-N 3.31Å; M1075-L1077 PolarHBondContact O-N 3.43Å; M1075-F1078 PolarHBondContact O-N 3.4Å
1076	A	66.3	Low	61	Low	72 Å²	72	119.7 Å²	119.7	60%	0.595	63%	0.633	S	S	*	*	H	α-helix	trans	-68.6	-26.2	174.1	0	0	0	0	0	113.6	L1072 A1073 L1074	L1072-A1076 WeakPolarHBondContact O-CB 3.12Å; L1072-A1076 PolarHBondContact O-N 3.48Å; A1073-A1076 PolarHBondContact O-N 3.26Å; L1074-A1076 VanDerWaalsContact C-N 3.29Å; L1074-A1076 PolarHBondContact O-N 2.99Å
1077	L	66.3	Low	61.8	Low	133 Å²	133	118 Å²	118	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-81.3	-23.3	175.5	-77.6	163.3	0	0	0	113.4	A1073 L1074 M1075	A1073-L1077 WeakPolarHBondContact O-CG 3.36Å; A1073-L1077 PolarHBondContact O-N 2.95Å; L1074-L1077 PolarHBondContact O-N 3.38Å; L1074-L1077 VanDerWaalsContact O-N 3.08Å; M1075-L1077 VanDerWaalsContact C-N 3.31Å; M1075-L1077 PolarHBondContact O-N 3.43Å
1078	F	59	Low	62.3	Low	179 Å²	179	120.8 Å²	120.8	79%	0.785	63%	0.628	S	S	*	*	S	Bend	trans	-86.7	-1.8	176.2	-88.4	-77.1	0	0	0	114.6	L1074 M1075	L1074-F1078 WeakPolarHBondContact O-CD2 3.33Å; L1074-F1078 PolarHBondContact O-N 3.23Å; L1074-F1078 VanDerWaalsContact O-N 3.14Å; M1075-F1078 PolarHBondContact O-N 3.4Å
1079	L	49.9	Very low	62.7	Low	151 Å²	151	126.9 Å²	126.9	79%	0.791	65%	0.648	S	S	*	*			trans	-103.4	27.6	178.5	-107	117.5	0	0	0	113.7
1080	R	42.5	Very low	62.7	Low	306 Å²	306	131.8 Å²	131.8	100%	1.155	67%	0.667	S	S	*	*			trans	-133.7	0	176.1	-111.2	-174.1	177.9	-178.4	1	113

Retrieved 1,080 of 1,080 residues in 1706.8 ms (Link to these results)

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