A0A087YP74_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087YP74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,128 aa.

						>A0A087YP74_POEFO|A0A087YP74
SKEHMALILLTDMDPLSSNPTTVDSLSADPYPKQEVKEVTLTLHLYHLGKTEGRGSCSEDTLTFPPGEYVAEELCITAAKACGISPVYCSLFCLMKENDRIYFPPNHVFKLDNSASENLLFRIRYYFPGWYNSSSSFYAHRYGLSKEMESPVMDDCVMAYLFAQWRSDFLNGWVHIPVSHEAQEECLGMAVLDMMRLAKESDLSPVDIYNDTSYKSFLPRCMRNRIQEYNLLTRKRIRYRFRRFIQQFSECKATVCNLKLKYLMNLEMLLPSVYSERFQVTDLSSREVTIVVKGNKGILWSKGKGEEGAEEELELYCDFPEVIDISIKQGSKEGSAESRIVSLTRQDNQILELEFQLLSEALSFVSLVDGYYRLVADAHHYLCKEVAPPRLLECIQSYCHGPVSMEFTISKLRRLGNYQGLYILRCSPREYDKFFMSFVVGYETMVDYKHCQIVKTESGEFILSGAKRSFGSLKELMHCYQKEALRTDGYTFQLIRCCPPSQKDKSNLLVCRNNQSTDVPPSPSLHKHINQMVFHKIRKEDLVFNESLGQGTFTKLFRGVRKELGDYGEVHQLDVAVKILDKAHRSFSESFFEAASMMSQLSHKHLLLIYGVCVCGDENMMVQEYGKFGSLDIYLKKKKNCVNITWKLEVAKQLAWAMHYLEDKSVVHGNVCAKNILLIREEDRKTGSLPFIKLSDPGIGITVLPREVLVERIPWVPPECIENPQNLSLATDKWGFGTTLWEICSGGEKPLSTLDSSKKNLFYEDRHQLPAPKWTELANLINSCMDYEPLHRPSFRTIIRDLNSLFTPDYELLVESDMVPNRTRGFGFPWASVSQEPAQFEERHLIFLKQLGKGNFGSVEMCRYDPLQDSTGEVVAVKKLQHSTAEHLRDFEREIEILKSLHHENIVKYKGVCYSAGRRNLRLIMEYLPFGSLRDYLIKHKDRIDSMKLLHYASQICKGMDYLGGKRYIHRDLATRNILVESEMRVKIGDFGLTKVLPQDKEYYTVREPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYSDKNCSPPAVFMEKMGNEKQGQMIVYHLIDLLKQGYRLPAPENCPKEIHKMMMECWSSDPKLRPTFKALIQRVETVRESKDG
					

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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	S	34.4	Very low	27	Very low	177 Å²	177	150.3 Å²	150.3	100%	1.238	81%	0.808	S	S	*	*				0	97.1	0	-168.7	0	0	0	0	106.8
2	K	34.5	Very low	27	Very low	186 Å²	186	150.5 Å²	150.5	81%	0.809	81%	0.809	S	S	*	*			trans	2.5	103.6	-174.9	-63.1	179.3	175.3	-176.8	0	117.9
3	E	29.1	Very low	26.9	Very low	171 Å²	171	153.5 Å²	153.5	80%	0.799	82%	0.819	S	S	*	*				82	137.3	69.4	-80.8	176.9	162.8	0	0	111.4
4	H	29.1	Very low	26.9	Very low	157 Å²	157	153.6 Å²	153.6	73%	0.727	82%	0.819	S	S	*	*			cis	-179.2	150.4	-23.7	-130.2	66.9	0	0	0	103.7
5	M	26	Very low	27.6	Very low	164 Å²	164	150.8 Å²	150.8	81%	0.808	81%	0.813	S	S	*	*			trans	59.7	120.7	150.6	-79.1	-168.3	-177.9	0	0	120.2
6	A	24	Very low	27.5	Very low	78 Å²	78	152 Å²	152	65%	0.645	82%	0.818	S	S	*	*				86.6	124.3	71.5	0	0	0	0	0	114.2
7	L	22.3	Very low	27.5	Very low	155 Å²	155	149.4 Å²	149.4	81%	0.812	81%	0.813	S	S	*	*			trans	72	134.1	139.8	-103.8	94.8	0	0	0	121.7
8	I	22.1	Very low	27.6	Very low	137 Å²	137	147.6 Å²	147.6	70%	0.703	81%	0.814	S	S	*	*			trans	108.7	122.4	138.9	-65	155.5	0	0	0	118.8
9	L	27.5	Very low	27.5	Very low	151 Å²	151	148.1 Å²	148.1	79%	0.791	82%	0.815	S	S	*	*			trans	-6	155.7	149.4	-65.1	136.1	0	0	0	119.8
10	L	23.4	Very low	27.9	Very low	158 Å²	158	146.7 Å²	146.7	83%	0.827	81%	0.813	S	S	*	*			trans	-178.6	111.7	136.9	-89.4	149.9	0	0	0	107.3
11	T	24.4	Very low	27.9	Very low	119 Å²	119	145.7 Å²	145.7	73%	0.73	81%	0.811	S	S	*	*				70.9	140.5	88.4	59.5	0	0	0	0	116.9
12	D	27.1	Very low	27.7	Very low	153 Å²	153	143.3 Å²	143.3	82%	0.818	79%	0.79	S	S	*	*			trans	-41.4	155.5	173.6	-58.2	-53.8	0	0	0	116.8
13	M	26	Very low	27.6	Very low	190 Å²	190	141.3 Å²	141.3	94%	0.936	79%	0.793	S	S	*	*				-178.2	143.5	125.3	-94.6	-70.7	-141.4	0	0	111.9
14	D	26.3	Very low	27.7	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	80%	0.795	S	S	*	*			trans	-80.3	-175.1	-171.9	-117.5	-9.6	0	0	0	113.9
15	P	38	Very low	27.7	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	80%	0.8	S	S	*	*			trans	-95.8	167.9	-142.1	39.4	-38.5	0	0	0	115.4
16	L	26.2	Very low	28.1	Very low	170 Å²	170	138.9 Å²	138.9	89%	0.89	80%	0.802	S	S	*	*			trans	-126.6	136.3	167.9	-97.4	158.9	0	0	0	112.7
17	S	26.5	Very low	28.3	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	81%	0.808	S	S	*	*			trans	-57.1	151	177	55.6	0	0	0	0	116.4
18	S	29.4	Very low	28.7	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	81%	0.808	S	S	*	*			trans	-151.6	114.8	144.8	59.8	0	0	0	0	111.8
19	N	26.9	Very low	29.2	Very low	158 Å²	158	138.7 Å²	138.7	85%	0.845	82%	0.815	S	S	*	*			trans	-63	160.4	161.6	-78.7	-27	0	0	0	111
20	P	34.6	Very low	29.8	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	81%	0.812	S	S	*	*				-140.2	134.3	109.2	26.4	-7.2	0	0	0	115.6
21	T	29.1	Very low	30.2	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	81%	0.814	S	S	*	*			trans	38.2	113.5	140	46	0	0	0	0	122.2
22	T	29.3	Very low	30.9	Very low	128 Å²	128	140 Å²	140	79%	0.785	82%	0.816	S	S	*	*			trans	-20.7	133.4	143.5	48.8	0	0	0	0	118.9
23	V	32.5	Very low	31.2	Very low	144 Å²	144	142.4 Å²	142.4	87%	0.873	82%	0.82	S	S	*	*			trans	-136.6	125	142.1	-178	0	0	0	0	108.1
24	D	30.6	Very low	31.5	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	82%	0.815	S	S	*	*			trans	-68.6	140.4	176.6	-78.8	-44.7	0	0	0	113
25	S	30.3	Very low	32	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	82%	0.817	S	S	*	*			trans	-156	133.8	145.5	60.7	0	0	0	0	111.6
26	L	32.6	Very low	32.1	Very low	165 Å²	165	144.2 Å²	144.2	86%	0.864	82%	0.82	S	S	*	*			trans	-70.4	147.6	-169.7	-74.2	119.2	0	0	0	116.5
27	S	29.9	Very low	33.3	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	82%	0.817	S	S	*	*			trans	54.8	119.9	140.2	67.1	0	0	0	0	122
28	A	30.7	Very low	34.9	Very low	98 Å²	98	147.9 Å²	147.9	81%	0.81	82%	0.818	S	S	*	*				176.5	118.9	113.6	0	0	0	0	0	113
29	D	32	Very low	36.7	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	79%	0.788	S	S	*	*			trans	42.1	150.8	152	-82.4	-21.2	0	0	0	126.1
30	P	39.8	Very low	39.4	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	76%	0.757	S	S	*	*			trans	-99.4	128.2	-165.1	36.9	-26.6	0	0	0	112.8
31	Y	32	Very low	42.1	Very low	222 Å²	222	132.2 Å²	132.2	87%	0.871	72%	0.72	S	S	*	*			trans	-105.2	136.3	154.4	-79.8	-84.7	0	0	0	108.7	K33	Y31-K33 PolarHBondContact O-N 2.99Å; Y31-K33 VanDerWaalsContact O-N 3.13Å
32	P	39.4	Very low	45.1	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	69%	0.693	S	S	*	*			trans	-64.8	117.8	176.6	26.5	-30.2	0	0	0	108.2	Q34	P32-Q34 PolarHBondContact O-N 3.14Å
33	K	33.2	Very low	48.2	Very low	204 Å²	204	121.6 Å²	121.6	89%	0.887	66%	0.656	S	S	*	*			trans	-58	112	166.4	-77	-178.2	176	-179.9	0	107.2	Y31 E35	Y31-K33 PolarHBondContact O-N 2.99Å; Y31-K33 VanDerWaalsContact O-N 3.13Å; K33-E35 PolarHBondContact O-N 3.34Å; K33-E35 VanDerWaalsContact O-N 3.11Å
34	Q	32.5	Very low	51.1	Low	178 Å²	178	117.6 Å²	117.6	83%	0.832	63%	0.627	S	S	*	*			trans	-53.6	113.9	157.4	-95.2	171.9	-34.9	0	0	106.9	P32 V36	P32-Q34 PolarHBondContact O-N 3.14Å; Q34-V36 PolarHBondContact O-N 3.05Å
35	E	35.7	Very low	54.2	Low	188 Å²	188	110.1 Å²	110.1	88%	0.879	59%	0.587	S	S	*	*			trans	-56.8	106.7	161.2	-80.6	178.4	159.7	0	0	107	K33 K37	K33-E35 PolarHBondContact O-N 3.34Å; K33-E35 VanDerWaalsContact O-N 3.11Å; E35-K37 PolarHBondContact O-N 3.47Å
36	V	41.5	Very low	57.3	Low	129 Å²	129	105.8 Å²	105.8	78%	0.782	55%	0.553	S	S	*	*			trans	-65.2	105.8	166.4	-179.8	0	0	0	0	104.9	Q34 E38	Q34-V36 PolarHBondContact O-N 3.05Å; V36-E38 PolarHBondContact O-N 3.26Å
37	K	51.4	Low	60.1	Low	191 Å²	191	101 Å²	101	83%	0.83	53%	0.526	S	S	*	.			trans	-54.9	108.1	168.3	-94.4	-174.7	171.7	-174.1	0	107.2	E35 V39	E35-K37 PolarHBondContact O-N 3.47Å; K37-V39 PolarHBondContact O-N 3.17Å
38	E	60.4	Low	62.7	Low	162 Å²	162	98.7 Å²	98.7	76%	0.757	51%	0.505	S	S	*	.			trans	-59	126.6	172	-78.5	-174.6	159.3	0	0	108.5	V36 T40	V36-E38 PolarHBondContact O-N 3.26Å; E38-T40 HydrophobicContact CB-CG2 4.31Å; E38-T40 PolarHBondContact O-N 2.58Å; E38-T40 VanDerWaalsContact O-N 3.1Å; E38-T40 PolarHBondContact O-OG1 3.49Å
39	V	67.1	Low	64.5	Low	34 Å²	34	95 Å²	95	21%	0.206	48%	0.476	C	S	.	.			trans	-67.6	110.9	179.3	176.3	0	0	0	0	108.2	K37 P66 L111 D112 N113 A115	K37-V39 PolarHBondContact O-N 3.17Å; V39-P66 WeakPolarHBondContact O-CD 3.43Å; V39-L111 HydrophobicContact CG1-CD2 4.31Å; V39-D112 WeakPolarHBondContact CG1-O 3.46Å; V39-N113 WeakPolarHBondContact CG2-O 3.4Å; V39-A115 VanDerWaalsContact CG1-C 3.43Å; V39-A115 WeakPolarHBondContact CG1-O 3.48Å
40	T	83.8	Confident	65.8	Low	31 Å²	31	97.5 Å²	97.5	19%	0.19	48%	0.479	C	S	.	.			trans	-138.6	152.3	-174.6	50.3	0	0	0	0	111.1	E38 F64 S116 E117	E38-T40 HydrophobicContact CB-CG2 4.31Å; E38-T40 PolarHBondContact O-N 2.58Å; E38-T40 VanDerWaalsContact O-N 3.1Å; E38-T40 PolarHBondContact O-OG1 3.49Å; T40-F64 WeakPolarHBondContact CA-O 3.38Å; T40-S116 WeakPolarHBondContact O-CA 3.41Å; T40-S116 WeakPolarHBondContact O-CB 3.42Å; T40-E117 PolarHBondContact O-N 3.18Å
41	L	89.4	Confident	65.8	Low	0 Å²	0	97.8 Å²	97.8	0%	0	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.6	163.6	179.7	154.2	0	0	0	107.1	T63 F64 Y69 L74 F109 L111 E117 L119	L41-T63 CarbonylContact O-C 3.46Å; L41-T63 WeakPolarHBondContact O-CA 3.5Å; L41-F64 HydrophobicContact CB-CB 4.26Å; L41-F64 HydrophobicContact CD2-CB 4.35Å; L41-F64 HydrophobicContact CD2-CD2 3.57Å; L41-F64 HydrophobicContact CD2-CE2 4.26Å; L41-F64 HydrophobicContact CD2-CG 4.26Å; L41-F64 PolarHBondContact N-O 3.16Å; L41-F64 PolarHBondContact O-N 3.33Å; L41-Y69 HydrophobicContact CD1-CD2 4.49Å; L41-L74 HydrophobicContact CD1-CD1 4.16Å; L41-L74 HydrophobicContact CD2-CD1 4.11Å; L41-F109 HydrophobicContact CD1-CB 4.02Å; L41-F109 HydrophobicContact CD1-CD1 4.4Å; L41-F109 HydrophobicContact CD1-CD2 4.5Å; L41-F109 HydrophobicContact CD1-CG 4.06Å; L41-L111 HydrophobicContact CB-CD1 4.06Å; L41-L111 HydrophobicContact CB-CD2 4.06Å; L41-L111 HydrophobicContact CD1-CD1 4.23Å; L41-E117 WeakPolarHBondContact CA-O 3.45Å; L41-L119 HydrophobicContact CD1-CD1 4.08Å; L41-L119 HydrophobicContact CD2-CD1 4.06Å; L41-L119 HydrophobicContact CG-CD1 4.2Å
42	T	92.6	Very high	65.9	Low	32 Å²	32	97 Å²	97	20%	0.196	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	-178.3	-56.4	0	0	0	0	109.8	T61 T63 E117 N118 L119	T42-T61 HydrophobicContact CG2-CG2 3.99Å; T42-T63 HydrophobicContact CG2-CG2 4.45Å; T42-E117 PolarHBondContact N-O 2.89Å; T42-N118 WeakPolarHBondContact O-CA 3.44Å; T42-L119 PolarHBondContact O-N 2.81Å
43	L	94.3	Very high	65.6	Low	0 Å²	0	95 Å²	95	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.8	179	-178.7	61.2	0	0	0	110.2	L45 T61 L62 F64 A78 L94 L119 F121	L43-L45 HydrophobicContact CG-CD2 4.41Å; L43-T61 CarbonylContact O-C 3.59Å; L43-T61 VanDerWaalsContact O-CA 3.3Å; L43-T61 WeakPolarHBondContact O-CA 3.47Å; L43-L62 HydrophobicContact CB-CB 4.3Å; L43-L62 HydrophobicContact CD2-CD1 4.48Å; L43-L62 PolarHBondContact N-O 2.73Å; L43-L62 PolarHBondContact O-N 2.96Å; L43-F64 HydrophobicContact CB-CE2 4.17Å; L43-F64 HydrophobicContact CD2-CE2 4.36Å; L43-A78 HydrophobicContact CD2-CB 3.74Å; L43-L94 HydrophobicContact CD1-CD2 3.58Å; L43-L94 HydrophobicContact CD2-CD2 4.41Å; L43-L119 WeakPolarHBondContact CA-O 3.23Å; L43-L119 HydrophobicContact CD1-CB 3.72Å; L43-F121 HydrophobicContact CD1-CB 3.98Å; L43-F121 HydrophobicContact CG-CB 4.35Å
44	H	94.8	Very high	65.4	Low	59 Å²	59	96.7 Å²	96.7	27%	0.273	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.5	179.2	-176.6	54.6	0	0	0	112.1	D60 L119 L120 F121	H44-D60 PolarHBondContact ND1-O 2.85Å; H44-D60 VanDerWaalsContact ND1-O 3.11Å; H44-L119 PolarHBondContact N-O 3.35Å; H44-L120 HydrophobicContact CB-CD2 3.72Å; H44-F121 PolarHBondContact O-N 2.97Å; H44-F121 VanDerWaalsContact O-N 3.09Å
45	L	95.9	Very high	65.2	Low	1 Å²	1	91.7 Å²	91.7	1%	0.005	48%	0.482	C	S	.	.			trans	-113.9	128.2	177.2	-52.4	-178.3	0	0	0	109.6	L43 H47 L48 D60 L62 A78 A81 F121	L43-L45 HydrophobicContact CG-CD2 4.41Å; L45-H47 VanDerWaalsContact C-N 3.34Å; L45-L48 HydrophobicContact CD1-CD2 3.91Å; L45-D60 PolarHBondContact N-O 2.73Å; L45-L62 HydrophobicContact CD1-CD1 4.04Å; L45-L62 HydrophobicContact CD1-CD2 4.46Å; L45-L62 HydrophobicContact CD1-CG 3.91Å; L45-L62 HydrophobicContact CD2-CD1 4.49Å; L45-L62 HydrophobicContact CG-CG 4.46Å; L45-A78 HydrophobicContact CD2-CB 3.68Å; L45-A81 HydrophobicContact CD1-CB 4.12Å; L45-F121 HydrophobicContact CD2-CB 3.85Å; L45-F121 HydrophobicContact CD2-CD1 3.89Å; L45-F121 HydrophobicContact CD2-CG 4.2Å
46	Y	93.7	Very high	64.8	Low	28 Å²	28	88.6 Å²	88.6	11%	0.11	48%	0.481	C	S	.	.	S	Bend	trans	-77	-22.1	179.2	-68.5	-88.1	0	0	0	113.1	F121 R122 Y160 A163 Q164	Y46-F121 WeakPolarHBondContact CD2-O 3.47Å; Y46-R122 HydrophobicContact CD2-CG 4.44Å; Y46-R122 HydrophobicContact CE2-CG 3.62Å; Y46-R122 VanDerWaalsContact CZ-NH1 3.29Å; Y46-R122 PolarHBondContact OH-NH1 2.91Å; Y46-Y160 AromaticContact CD2-CE1 3.85Å; Y46-Y160 HydrophobicContact CD2-CE1 3.85Å; Y46-Y160 AromaticContact CD2-CZ 3.93Å; Y46-Y160 HydrophobicContact CG-CE1 4.39Å; Y46-Y160 PolarHBondContact N-OH 3.35Å; Y46-Y160 VanDerWaalsContact N-OH 3.08Å; Y46-A163 WeakPolarHBondContact O-CB 3.31Å; Y46-Q164 HydrophobicContact CD1-CB 4.3Å; Y46-Q164 HydrophobicContact CD2-CB 4.16Å; Y46-Q164 HydrophobicContact CD2-CG 4.24Å; Y46-Q164 HydrophobicContact CE2-CG 4.25Å; Y46-Q164 HydrophobicContact CG-CB 4Å; Y46-Q164 HydrophobicContact CG-CG 4.46Å
47	H	91.2	Very high	64.2	Low	64 Å²	64	88.1 Å²	88.1	30%	0.296	48%	0.482	S	S	.	.			trans	-154.8	127.8	-179.6	-173.5	57.3	0	0	0	111.3	L45 C82 Y160 A163	L45-H47 VanDerWaalsContact C-N 3.34Å; H47-C82 PolarHBondContact O-SG 3.19Å; H47-Y160 HydrophobicContact CB-CD2 3.86Å; H47-Y160 HydrophobicContact CB-CE2 4.44Å; H47-Y160 HydrophobicContact CB-CG 4.43Å; H47-A163 HydrophobicContact CB-CB 4.13Å
48	L	86	Confident	63.5	Low	60 Å²	60	84.3 Å²	84.3	31%	0.314	48%	0.479	S	S	.	.			trans	-89.8	141.5	172.6	-77.7	159.5	0	0	0	111.2	L45	L45-L48 HydrophobicContact CD1-CD2 3.91Å
49	G	68.9	Low	63.1	Low	19 Å²	19	82.6 Å²	82.6	20%	0.196	47%	0.471	C	S	.	.			trans	-72.1	139.4	175.5	0	0	0	0	0	111.2	T51 A81	G49-T51 PolarHBondContact O-N 3.34Å; G49-A81 PolarHBondContact N-O 3.04Å
50	K	58.9	Low	63.7	Low	212 Å²	212	85.3 Å²	85.3	92%	0.922	49%	0.485	S	S	*	.			trans	-69	94.9	170.9	-70.8	-174.6	178.1	-175.3	0	109.1
51	T	40.1	Very low	63.9	Low	119 Å²	119	86 Å²	86	73%	0.73	49%	0.489	S	S	*	.			trans	-89.3	120.3	164.4	31.5	0	0	0	0	108.7	G49 G53	G49-T51 PolarHBondContact O-N 3.34Å; T51-G53 PolarHBondContact O-N 3.23Å; T51-G53 VanDerWaalsContact O-N 3.14Å
52	E	33	Very low	64.1	Low	206 Å²	206	88 Å²	88	96%	0.963	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	113.1	169.9	-68	-176.2	159.2	0	0	108.5
53	G	32.6	Very low	64	Low	79 Å²	79	90.5 Å²	90.5	81%	0.814	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.9	5.2	164	0	0	0	0	0	119.4	T51	T51-G53 PolarHBondContact O-N 3.23Å; T51-G53 VanDerWaalsContact O-N 3.14Å
54	R	29.8	Very low	63.9	Low	238 Å²	238	91.9 Å²	91.9	90%	0.898	52%	0.521	S	S	*	.			trans	-120.2	115.7	165	-92.4	-174.8	177.2	-158.1	-0.1	111.3
55	G	28.2	Very low	63.6	Low	73 Å²	73	93 Å²	93	75%	0.753	53%	0.533	S	S	*	.			trans	-63.1	141	173.8	0	0	0	0	0	111.8	C57	G55-C57 PolarHBondContact O-N 2.84Å; G55-C57 VanDerWaalsContact O-N 3.16Å
56	S	28.3	Very low	63.3	Low	123 Å²	123	95.3 Å²	95.3	86%	0.86	55%	0.548	S	S	*	.			trans	27.7	73.5	154	179.6	0	0	0	0	116.2
57	C	27.6	Very low	63.1	Low	119 Å²	119	95.2 Å²	95.2	80%	0.804	56%	0.556	S	S	*	*			trans	-119	106.5	155.7	-129.9	0	0	0	0	107.7	G55 E59	G55-C57 PolarHBondContact O-N 2.84Å; G55-C57 VanDerWaalsContact O-N 3.16Å; C57-E59 PolarHBondContact O-N 2.86Å
58	S	36.3	Very low	63.2	Low	111 Å²	111	98.2 Å²	98.2	78%	0.776	57%	0.57	S	S	*	*			trans	-91	57.9	-170.8	57.5	0	0	0	0	111.9
59	E	52.9	Low	63.6	Low	127 Å²	127	97.4 Å²	97.4	59%	0.593	56%	0.563	S	S	*	*			trans	-129.5	108.2	172.8	-73.1	-169.9	169	0	0	110.6	C57 T61	C57-E59 PolarHBondContact O-N 2.86Å; E59-T61 PolarHBondContact O-N 3.16Å
60	D	78.8	Confident	64.9	Low	91 Å²	91	98 Å²	98	49%	0.487	56%	0.563	S	S	.	*	S	Bend	trans	-70.3	27.6	172.3	-66.5	-31.9	0	0	0	111.9	H44 L45	H44-D60 PolarHBondContact ND1-O 2.85Å; H44-D60 VanDerWaalsContact ND1-O 3.11Å; L45-D60 PolarHBondContact N-O 2.73Å
61	T	89.3	Confident	66.7	Low	45 Å²	45	88.1 Å²	88.1	28%	0.276	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.7	-169.9	47.7	0	0	0	0	111.2	T42 L43 E59	T42-T61 HydrophobicContact CG2-CG2 3.99Å; L43-T61 CarbonylContact O-C 3.59Å; L43-T61 VanDerWaalsContact O-CA 3.3Å; L43-T61 WeakPolarHBondContact O-CA 3.47Å; E59-T61 PolarHBondContact O-N 3.16Å
62	L	92.4	Very high	69.4	Low	43 Å²	43	84 Å²	84	23%	0.225	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.9	167.5	-59.9	175	0	0	0	109	L43 L45 F64 T77 A78 A81	L43-L62 HydrophobicContact CB-CB 4.3Å; L43-L62 HydrophobicContact CD2-CD1 4.48Å; L43-L62 PolarHBondContact N-O 2.73Å; L43-L62 PolarHBondContact O-N 2.96Å; L45-L62 HydrophobicContact CD1-CD1 4.04Å; L45-L62 HydrophobicContact CD1-CD2 4.46Å; L45-L62 HydrophobicContact CD1-CG 3.91Å; L45-L62 HydrophobicContact CD2-CD1 4.49Å; L45-L62 HydrophobicContact CG-CG 4.46Å; L62-F64 HydrophobicContact CB-CE2 3.77Å; L62-F64 HydrophobicContact CB-CZ 4.15Å; L62-T77 HydrophobicContact CD1-CG2 4.35Å; L62-A78 HydrophobicContact CD1-CB 4.39Å; L62-A81 HydrophobicContact CD1-CB 4.27Å
63	T	91.9	Very high	72.4	Confident	83 Å²	83	79.8 Å²	79.8	51%	0.509	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.6	178.5	51.9	0	0	0	0	110.7	L41 T42	L41-T63 CarbonylContact O-C 3.46Å; L41-T63 WeakPolarHBondContact O-CA 3.5Å; T42-T63 HydrophobicContact CG2-CG2 4.45Å
64	F	90.8	Very high	75.4	Confident	30 Å²	30	76.1 Å²	76.1	13%	0.132	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	179.8	-58.2	-96.1	0	0	0	109.5	T40 L41 L43 L62 Y69 L74 T77	T40-F64 WeakPolarHBondContact CA-O 3.38Å; L41-F64 HydrophobicContact CB-CB 4.26Å; L41-F64 HydrophobicContact CD2-CB 4.35Å; L41-F64 HydrophobicContact CD2-CD2 3.57Å; L41-F64 HydrophobicContact CD2-CE2 4.26Å; L41-F64 HydrophobicContact CD2-CG 4.26Å; L41-F64 PolarHBondContact N-O 3.16Å; L41-F64 PolarHBondContact O-N 3.33Å; L43-F64 HydrophobicContact CB-CE2 4.17Å; L43-F64 HydrophobicContact CD2-CE2 4.36Å; L62-F64 HydrophobicContact CB-CE2 3.77Å; L62-F64 HydrophobicContact CB-CZ 4.15Å; F64-Y69 HydrophobicContact CB-CE1 4.19Å; F64-Y69 HydrophobicContact CB-CE2 4.18Å; F64-Y69 HydrophobicContact CD1-CD1 4.49Å; F64-Y69 HydrophobicContact CD1-CE1 4.06Å; F64-Y69 HydrophobicContact CG-CE1 4.49Å; F64-L74 HydrophobicContact CD1-CD2 3.88Å; F64-L74 HydrophobicContact CD2-CD2 4.02Å; F64-L74 HydrophobicContact CE1-CD2 3.62Å; F64-L74 HydrophobicContact CE2-CD2 3.76Å; F64-L74 HydrophobicContact CG-CD2 4.08Å; F64-L74 HydrophobicContact CZ-CD2 3.55Å; F64-T77 HydrophobicContact CE1-CG2 4.31Å; F64-T77 HydrophobicContact CZ-CG2 4.12Å
65	P	89.9	Confident	78.7	Confident	81 Å²	81	65.4 Å²	65.4	53%	0.526	40%	0.396	S	S	.	.			trans	-68.9	168.1	177.7	29.5	-34.7	0	0	0	111.5	G67 Y69	P65-G67 PolarHBondContact O-N 3.04Å; P65-Y69 WeakPolarHBondContact CD-OH 3.24Å; P65-Y69 WeakPolarHBondContact O-CE2 3.4Å; P65-Y69 VanDerWaalsContact O-CZ 3.31Å; P65-Y69 PolarHBondContact O-OH 3.3Å
66	P	88.1	Confident	81.9	Confident	50 Å²	50	62.5 Å²	62.5	33%	0.325	36%	0.363	S	S	.	.	S	Bend	trans	-52.8	136.4	173.4	-27.1	36.4	0	0	0	112.5	V39 L111 N113	V39-P66 WeakPolarHBondContact O-CD 3.43Å; P66-L111 WeakPolarHBondContact CB-O 3.45Å; P66-N113 WeakPolarHBondContact CB-OD1 3.47Å; P66-N113 WeakPolarHBondContact CG-OD1 3.14Å
67	G	89.8	Confident	85.1	Confident	26 Å²	26	59.5 Å²	59.5	27%	0.268	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166	-175.8	-172.3	0	0	0	0	0	113.5	P65 L111	P65-G67 PolarHBondContact O-N 3.04Å; G67-L111 PolarHBondContact N-O 3.11Å; G67-L111 PolarHBondContact O-N 2.6Å
68	E	93	Very high	88.3	Confident	127 Å²	127	53.9 Å²	53.9	59%	0.593	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	127	172.2	-63.5	-163.1	155.1	0	0	110.2	V108 F109 K110	E68-V108 HydrophobicContact CB-CG1 4.44Å; E68-F109 VanDerWaalsContact CA-O 3.3Å; E68-F109 WeakPolarHBondContact CA-O 3.35Å; E68-K110 HydrophobicContact CG-CG 4.28Å; E68-K110 WeakPolarHBondContact OE1-CE 3.36Å; E68-K110 IonicContact OE1-NZ 3.29Å; E68-K110 PolarHBondContact OE1-NZ 2.78Å
69	Y	94.3	Very high	91.2	Very high	44 Å²	44	48.6 Å²	48.6	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137	-178.7	-57.9	-83.2	0	0	0	111.3	L41 F64 P65 L74 V108 F109	L41-Y69 HydrophobicContact CD1-CD2 4.49Å; F64-Y69 HydrophobicContact CB-CE1 4.19Å; F64-Y69 HydrophobicContact CB-CE2 4.18Å; F64-Y69 HydrophobicContact CD1-CD1 4.49Å; F64-Y69 HydrophobicContact CD1-CE1 4.06Å; F64-Y69 HydrophobicContact CG-CE1 4.49Å; P65-Y69 WeakPolarHBondContact CD-OH 3.24Å; P65-Y69 WeakPolarHBondContact O-CE2 3.4Å; P65-Y69 VanDerWaalsContact O-CZ 3.31Å; P65-Y69 PolarHBondContact O-OH 3.3Å; Y69-L74 HydrophobicContact CD1-CD2 4.13Å; Y69-L74 HydrophobicContact CG-CD2 4.28Å; Y69-V108 CarbonylContact O-C 3.55Å; Y69-V108 WeakPolarHBondContact O-CA 3.26Å; Y69-F109 PolarHBondContact N-O 2.93Å; Y69-F109 PolarHBondContact O-N 3.49Å
70	V	96.3	Very high	93.2	Very high	32 Å²	32	47 Å²	47	19%	0.194	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.3	173.2	-177.3	0	0	0	0	109.7	E72 E73 L74 H107 V108 P389	V70-E72 VanDerWaalsContact C-N 3.3Å; V70-E72 HydrophobicContact CG1-CB 4.41Å; V70-E72 PolarHBondContact O-N 3.3Å; V70-E73 HydrophobicContact CB-CB 4.44Å; V70-E73 HydrophobicContact CB-CG 4.1Å; V70-E73 PolarHBondContact O-N 3.39Å; V70-L74 PolarHBondContact O-N 2.93Å; V70-L74 VanDerWaalsContact O-N 3.14Å; V70-H107 WeakPolarHBondContact CA-O 3.35Å; V70-V108 HydrophobicContact CG2-CG2 4.48Å; V70-P389 HydrophobicContact CG1-CG 4Å
71	A	97.3	Very high	93.9	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-55.3	-41.2	-178.7	0	0	0	0	0	113.3	E73 L74 C75 L94 H107 F109	A71-E73 VanDerWaalsContact C-N 3.34Å; A71-E73 PolarHBondContact O-N 3.21Å; A71-L74 PolarHBondContact O-N 3.4Å; A71-C75 WeakPolarHBondContact O-CB 3.5Å; A71-C75 PolarHBondContact O-N 2.88Å; A71-L94 HydrophobicContact CB-CD1 4.03Å; A71-H107 HydrophobicContact CB-CB 4.12Å; A71-H107 PolarHBondContact N-O 3.32Å; A71-F109 HydrophobicContact CB-CE2 3.79Å
72	E	97.4	Very high	94.1	Very high	34 Å²	34	42.4 Å²	42.4	16%	0.159	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-38.8	176	-174.3	175.3	-130.5	0	0	112.6	V70 C75 I76 P105 P388 P389 R390	V70-E72 VanDerWaalsContact C-N 3.3Å; V70-E72 HydrophobicContact CG1-CB 4.41Å; V70-E72 PolarHBondContact O-N 3.3Å; E72-C75 WeakPolarHBondContact O-CB 3.33Å; E72-C75 PolarHBondContact O-N 3.11Å; E72-I76 HydrophobicContact CG-CD1 4.04Å; E72-I76 WeakPolarHBondContact O-CD1 3.38Å; E72-I76 VanDerWaalsContact O-CG1 3.26Å; E72-I76 WeakPolarHBondContact O-CG1 3.4Å; E72-I76 PolarHBondContact O-N 3.48Å; E72-P105 HydrophobicContact CB-CB 4.31Å; E72-P105 VanDerWaalsContact CB-O 3.31Å; E72-P105 WeakPolarHBondContact CB-O 3.19Å; E72-P105 PolarHBondContact N-O 2.87Å; E72-P388 VanDerWaalsContact OE1-CB 3.32Å; E72-P388 WeakPolarHBondContact OE1-CB 3.5Å; E72-P389 VanDerWaalsContact OE2-CD 3.24Å; E72-P389 WeakPolarHBondContact OE2-CD 3.3Å; E72-R390 WeakPolarHBondContact OE2-CB 3.45Å; E72-R390 PolarHBondContact OE2-N 3.43Å
73	E	95.3	Very high	94.2	Very high	116 Å²	116	42.3 Å²	42.3	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-69.7	-39.7	179.1	-65.3	-178.4	157.5	0	0	112.1	V70 A71 I76 T77	V70-E73 HydrophobicContact CB-CB 4.44Å; V70-E73 HydrophobicContact CB-CG 4.1Å; V70-E73 PolarHBondContact O-N 3.39Å; A71-E73 VanDerWaalsContact C-N 3.34Å; A71-E73 PolarHBondContact O-N 3.21Å; E73-I76 PolarHBondContact O-N 2.92Å; E73-T77 PolarHBondContact O-N 3.29Å; E73-T77 PolarHBondContact O-OG1 3.3Å
74	L	96.6	Very high	94.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-42.8	172	-67.9	177.7	0	0	0	111.1	L41 F64 Y69 V70 A71 I76 T77 A78 L94 F109 L119	L41-L74 HydrophobicContact CD1-CD1 4.16Å; L41-L74 HydrophobicContact CD2-CD1 4.11Å; F64-L74 HydrophobicContact CD1-CD2 3.88Å; F64-L74 HydrophobicContact CD2-CD2 4.02Å; F64-L74 HydrophobicContact CE1-CD2 3.62Å; F64-L74 HydrophobicContact CE2-CD2 3.76Å; F64-L74 HydrophobicContact CG-CD2 4.08Å; F64-L74 HydrophobicContact CZ-CD2 3.55Å; Y69-L74 HydrophobicContact CD1-CD2 4.13Å; Y69-L74 HydrophobicContact CG-CD2 4.28Å; V70-L74 PolarHBondContact O-N 2.93Å; V70-L74 VanDerWaalsContact O-N 3.14Å; A71-L74 PolarHBondContact O-N 3.4Å; L74-I76 PolarHBondContact O-N 3.05Å; L74-T77 PolarHBondContact O-N 3.16Å; L74-A78 WeakPolarHBondContact O-CB 3.3Å; L74-A78 PolarHBondContact O-N 3.28Å; L74-L94 HydrophobicContact CB-CD1 3.85Å; L74-L94 HydrophobicContact CD1-CD1 4.08Å; L74-F109 HydrophobicContact CD1-CD2 3.75Å; L74-F109 HydrophobicContact CD1-CE2 3.93Å; L74-L119 HydrophobicContact CD1-CD1 4.37Å
75	C	97.4	Very high	94.6	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.081	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-43.8	173.1	-84.6	0	0	0	0	112.2	A71 E72 T77 A78 A79 L94 F121	A71-C75 WeakPolarHBondContact O-CB 3.5Å; A71-C75 PolarHBondContact O-N 2.88Å; E72-C75 WeakPolarHBondContact O-CB 3.33Å; E72-C75 PolarHBondContact O-N 3.11Å; C75-T77 VanDerWaalsContact C-N 3.34Å; C75-A78 PolarHBondContact O-N 3.12Å; C75-A79 WeakPolarHBondContact O-CB 3.3Å; C75-A79 PolarHBondContact O-N 3.05Å; C75-L94 VanDerWaalsContact SG-CG 3.57Å; C75-F121 HydrophobicContact CB-CE2 4.15Å
76	I	96.1	Very high	94.9	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-41.2	178.1	-71.3	161.9	0	0	0	110.8	E72 E73 L74 A79 K80 Y431	E72-I76 HydrophobicContact CG-CD1 4.04Å; E72-I76 WeakPolarHBondContact O-CD1 3.38Å; E72-I76 VanDerWaalsContact O-CG1 3.26Å; E72-I76 WeakPolarHBondContact O-CG1 3.4Å; E72-I76 PolarHBondContact O-N 3.48Å; E73-I76 PolarHBondContact O-N 2.92Å; L74-I76 PolarHBondContact O-N 3.05Å; I76-A79 PolarHBondContact O-N 3.36Å; I76-K80 HydrophobicContact CG2-CD 4.28Å; I76-K80 WeakPolarHBondContact O-CG 3.32Å; I76-K80 PolarHBondContact O-N 3.22Å; I76-Y431 HydrophobicContact CB-CD1 4.39Å; I76-Y431 HydrophobicContact CG1-CD1 4.01Å; I76-Y431 HydrophobicContact CG1-CE1 4.07Å; I76-Y431 HydrophobicContact CG2-CD1 3.64Å; I76-Y431 HydrophobicContact CG2-CD2 4.32Å; I76-Y431 HydrophobicContact CG2-CE1 4.14Å; I76-Y431 HydrophobicContact CG2-CG 3.75Å
77	T	95.3	Very high	95.3	Very high	61 Å²	61	33.5 Å²	33.5	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-45.8	177.7	-56.8	0	0	0	0	111	L62 F64 E73 L74 C75 K80 A81	L62-T77 HydrophobicContact CD1-CG2 4.35Å; F64-T77 HydrophobicContact CE1-CG2 4.31Å; F64-T77 HydrophobicContact CZ-CG2 4.12Å; E73-T77 PolarHBondContact O-N 3.29Å; E73-T77 PolarHBondContact O-OG1 3.3Å; L74-T77 PolarHBondContact O-N 3.16Å; C75-T77 VanDerWaalsContact C-N 3.34Å; T77-K80 PolarHBondContact O-N 3.02Å; T77-A81 PolarHBondContact O-N 2.98Å; T77-A81 VanDerWaalsContact O-N 3.09Å
78	A	96.1	Very high	95.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-44.8	173.5	0	0	0	0	0	112.3	L43 L45 L62 L74 C75 K80 A81 C82 F121	L43-A78 HydrophobicContact CD2-CB 3.74Å; L45-A78 HydrophobicContact CD2-CB 3.68Å; L62-A78 HydrophobicContact CD1-CB 4.39Å; L74-A78 WeakPolarHBondContact O-CB 3.3Å; L74-A78 PolarHBondContact O-N 3.28Å; C75-A78 PolarHBondContact O-N 3.12Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 3.1Å; A78-A81 PolarHBondContact O-N 3.1Å; A78-A81 VanDerWaalsContact O-N 3.11Å; A78-C82 WeakPolarHBondContact O-CB 3.49Å; A78-C82 PolarHBondContact O-N 3.41Å; A78-C82 PolarHBondContact O-SG 3Å; A78-F121 HydrophobicContact CB-CB 4.2Å; A78-F121 HydrophobicContact CB-CD1 3.66Å; A78-F121 HydrophobicContact CB-CD2 3.79Å; A78-F121 HydrophobicContact CB-CE1 3.88Å; A78-F121 HydrophobicContact CB-CE2 3.99Å; A78-F121 HydrophobicContact CB-CG 3.62Å; A78-F121 HydrophobicContact CB-CZ 4.04Å
79	A	96.1	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-42.9	178.2	0	0	0	0	0	111.8	C75 I76 C82 G83 I84 F121 Y431	C75-A79 WeakPolarHBondContact O-CB 3.3Å; C75-A79 PolarHBondContact O-N 3.05Å; I76-A79 PolarHBondContact O-N 3.36Å; A79-C82 CarbonylContact O-C 3.58Å; A79-C82 PolarHBondContact O-N 3.2Å; A79-G83 PolarHBondContact O-N 3.05Å; A79-G83 VanDerWaalsContact O-N 3.07Å; A79-I84 HydrophobicContact CB-CB 4.03Å; A79-I84 HydrophobicContact CB-CG2 4.36Å; A79-I84 PolarHBondContact O-N 3.01Å; A79-F121 HydrophobicContact CB-CZ 4.05Å; A79-Y431 WeakPolarHBondContact CB-OH 3.44Å
80	K	94.3	Very high	95.8	Very high	95 Å²	95	29.2 Å²	29.2	41%	0.413	17%	0.173	S	C	.	.	H	α-helix	trans	-59.2	-47.4	172.9	-74.2	173.3	176.5	-177.9	0	111.7	I76 T77 A78 C82 G83 Y431 D432	I76-K80 HydrophobicContact CG2-CD 4.28Å; I76-K80 WeakPolarHBondContact O-CG 3.32Å; I76-K80 PolarHBondContact O-N 3.22Å; T77-K80 PolarHBondContact O-N 3.02Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 3.1Å; K80-C82 VanDerWaalsContact C-N 3.26Å; K80-C82 PolarHBondContact O-N 3.37Å; K80-G83 PolarHBondContact O-N 2.72Å; K80-G83 VanDerWaalsContact O-N 3.15Å; K80-Y431 HydrophobicContact CD-CD2 4.3Å; K80-Y431 HydrophobicContact CG-CD2 3.64Å; K80-Y431 HydrophobicContact CG-CE2 3.91Å; K80-D432 IonicContact NZ-OD1 3.72Å; K80-D432 IonicContact NZ-OD2 2.79Å; K80-D432 PolarHBondContact NZ-OD2 3.44Å
81	A	93.5	Very high	95.9	Very high	34 Å²	34	27.7 Å²	27.7	28%	0.281	16%	0.164	S	C	.	.	H	α-helix	trans	-63	-32	178.3	0	0	0	0	0	113	L45 G49 L62 T77 A78	L45-A81 HydrophobicContact CD1-CB 4.12Å; G49-A81 PolarHBondContact N-O 3.04Å; L62-A81 HydrophobicContact CD1-CB 4.27Å; T77-A81 PolarHBondContact O-N 2.98Å; T77-A81 VanDerWaalsContact O-N 3.09Å; A78-A81 PolarHBondContact O-N 3.1Å; A78-A81 VanDerWaalsContact O-N 3.11Å
82	C	94.1	Very high	95.9	Very high	4 Å²	4	28 Å²	28	3%	0.027	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.4	177.5	-63.3	0	0	0	0	114	H47 A78 A79 K80 I84 Y160	H47-C82 PolarHBondContact O-SG 3.19Å; A78-C82 WeakPolarHBondContact O-CB 3.49Å; A78-C82 PolarHBondContact O-N 3.41Å; A78-C82 PolarHBondContact O-SG 3Å; A79-C82 CarbonylContact O-C 3.58Å; A79-C82 PolarHBondContact O-N 3.2Å; K80-C82 VanDerWaalsContact C-N 3.26Å; K80-C82 PolarHBondContact O-N 3.37Å; C82-I84 VanDerWaalsContact C-N 3.31Å; C82-I84 HydrophobicContact CB-CD1 3.64Å; C82-I84 HydrophobicContact CB-CG1 3.97Å; C82-I84 PolarHBondContact O-N 3.02Å; C82-Y160 HydrophobicContact CB-CD2 4.25Å; C82-Y160 HydrophobicContact CB-CE2 4.36Å; C82-Y160 VanDerWaalsContact SG-CE2 3.52Å
83	G	94.4	Very high	96	Very high	42 Å²	42	26.8 Å²	26.8	43%	0.433	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	20.2	-176	0	0	0	0	0	114.6	A79 K80	A79-G83 PolarHBondContact O-N 3.05Å; A79-G83 VanDerWaalsContact O-N 3.07Å; K80-G83 PolarHBondContact O-N 2.72Å; K80-G83 VanDerWaalsContact O-N 3.15Å
84	I	96.4	Very high	96.1	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	14%	0.135	C	C	.	.			trans	-81.1	122.2	-179.9	-63.6	158.2	0	0	0	109.6	A79 C82 F92 F121 V157 Y431	A79-I84 HydrophobicContact CB-CB 4.03Å; A79-I84 HydrophobicContact CB-CG2 4.36Å; A79-I84 PolarHBondContact O-N 3.01Å; C82-I84 VanDerWaalsContact C-N 3.31Å; C82-I84 HydrophobicContact CB-CD1 3.64Å; C82-I84 HydrophobicContact CB-CG1 3.97Å; C82-I84 PolarHBondContact O-N 3.02Å; I84-F92 HydrophobicContact CD1-CD1 4.22Å; I84-F92 HydrophobicContact CD1-CD2 4.35Å; I84-F92 HydrophobicContact CD1-CE1 3.51Å; I84-F92 HydrophobicContact CD1-CE2 3.71Å; I84-F92 HydrophobicContact CD1-CZ 3.24Å; I84-F92 HydrophobicContact CG1-CE2 4.34Å; I84-F92 HydrophobicContact CG1-CZ 4.09Å; I84-F92 HydrophobicContact CG2-CD2 4.46Å; I84-F92 HydrophobicContact CG2-CE2 3.98Å; I84-F121 HydrophobicContact CD1-CE1 3.71Å; I84-F121 HydrophobicContact CD1-CZ 4.05Å; I84-V157 HydrophobicContact CG1-CG2 4.4Å; I84-V157 HydrophobicContact CG2-CG2 4.15Å; I84-Y431 WeakPolarHBondContact O-CE2 3.24Å; I84-Y431 PolarHBondContact O-OH 3.43Å
85	S	95.3	Very high	96.1	Very high	26 Å²	26	21.6 Å²	21.6	18%	0.182	14%	0.136	C	C	.	.			trans	-70.7	155.4	179.3	77.7	0	0	0	0	112.8	V87 Y88 C89 Y431	S85-V87 PolarHBondContact O-N 3.31Å; S85-Y88 PolarHBondContact O-N 2.9Å; S85-Y88 WeakPolarHBondContact OG-CD2 3.47Å; S85-Y88 WeakPolarHBondContact OG-CE2 3.25Å; S85-C89 PolarHBondContact O-N 2.84Å; S85-Y431 PolarHBondContact O-OH 2.89Å
86	P	96.5	Very high	96	Very high	15 Å²	15	23.1 Å²	23.1	10%	0.097	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-29.8	178.3	-29.7	34.6	0	0	0	115.2	Y88 P402 P428 R429 Y431	P86-Y88 PolarHBondContact O-N 2.8Å; P86-P402 HydrophobicContact CB-CB 4.02Å; P86-P402 HydrophobicContact CB-CG 4.19Å; P86-P428 WeakPolarHBondContact CD-O 3.29Å; P86-R429 WeakPolarHBondContact CD-O 3.33Å; P86-Y431 HydrophobicContact CB-CD1 4.27Å; P86-Y431 HydrophobicContact CB-CE1 4.05Å; P86-Y431 HydrophobicContact CG-CD1 4Å; P86-Y431 HydrophobicContact CG-CD2 3.95Å; P86-Y431 HydrophobicContact CG-CE1 4Å; P86-Y431 HydrophobicContact CG-CE2 3.94Å; P86-Y431 HydrophobicContact CG-CG 3.97Å
87	V	95.6	Very high	95.7	Very high	13 Å²	13	26.2 Å²	26.2	8%	0.079	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.4	179.2	177.4	0	0	0	0	112.2	S85 P402 P428 L508	S85-V87 PolarHBondContact O-N 3.31Å; V87-P402 HydrophobicContact CG2-CB 4.08Å; V87-P402 HydrophobicContact CG2-CG 4.47Å; V87-P428 HydrophobicContact CG2-CB 3.8Å; V87-L508 HydrophobicContact CG1-CD2 4.47Å
88	Y	96.6	Very high	95.3	Very high	30 Å²	30	29.6 Å²	29.6	12%	0.118	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.8	-174.5	-51.7	-72.3	0	0	0	113.8	S85 P86 S90 L91 V152 D154 V157	S85-Y88 PolarHBondContact O-N 2.9Å; S85-Y88 WeakPolarHBondContact OG-CD2 3.47Å; S85-Y88 WeakPolarHBondContact OG-CE2 3.25Å; P86-Y88 PolarHBondContact O-N 2.8Å; Y88-S90 PolarHBondContact O-N 2.96Å; Y88-S90 VanDerWaalsContact O-N 3.15Å; Y88-L91 HydrophobicContact CD1-CD1 4.42Å; Y88-L91 WeakPolarHBondContact O-CB 3.4Å; Y88-L91 WeakPolarHBondContact O-CG 3.45Å; Y88-L91 PolarHBondContact O-N 2.79Å; Y88-V152 WeakPolarHBondContact CD1-O 3.46Å; Y88-V152 WeakPolarHBondContact CE1-O 3.36Å; Y88-D154 HydrophobicContact CD2-CB 4.28Å; Y88-D154 VanDerWaalsContact CD2-OD2 3.3Å; Y88-D154 WeakPolarHBondContact CD2-OD2 3.32Å; Y88-D154 HydrophobicContact CE2-CB 3.62Å; Y88-D154 VanDerWaalsContact CE2-CG 3.43Å; Y88-D154 WeakPolarHBondContact CE2-OD2 3.24Å; Y88-V157 HydrophobicContact CD2-CG2 4.29Å; Y88-V157 HydrophobicContact CG-CG2 3.98Å
89	C	96.3	Very high	94.9	Very high	19 Å²	19	33.6 Å²	33.6	13%	0.128	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-55.8	-34.1	-178.6	-167.1	0	0	0	0	112.8	S85 L91 F92 Y431	S85-C89 PolarHBondContact O-N 2.84Å; C89-L91 PolarHBondContact O-N 2.87Å; C89-L91 VanDerWaalsContact O-N 3.12Å; C89-F92 PolarHBondContact O-N 2.89Å; C89-Y431 HydrophobicContact CB-CE1 3.9Å; C89-Y431 WeakPolarHBondContact CB-OH 3.28Å
90	S	95.6	Very high	94.7	Very high	58 Å²	58	39 Å²	39	41%	0.406	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.7	-6.3	179.5	66.2	0	0	0	0	114.2	Y88 F92 Y125	Y88-S90 PolarHBondContact O-N 2.96Å; Y88-S90 VanDerWaalsContact O-N 3.15Å; S90-F92 VanDerWaalsContact C-N 3.28Å; S90-Y125 WeakPolarHBondContact O-CD2 2.96Å; S90-Y125 WeakPolarHBondContact O-CE2 3.5Å
91	L	97.9	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-79.1	-13.3	171.4	-59.5	177.7	0	0	0	112.5	Y88 C89 I123 R124 Y125 M153 V157 L374	Y88-L91 HydrophobicContact CD1-CD1 4.42Å; Y88-L91 WeakPolarHBondContact O-CB 3.4Å; Y88-L91 WeakPolarHBondContact O-CG 3.45Å; Y88-L91 PolarHBondContact O-N 2.79Å; C89-L91 PolarHBondContact O-N 2.87Å; C89-L91 VanDerWaalsContact O-N 3.12Å; L91-I123 WeakPolarHBondContact O-CA 3.41Å; L91-R124 PolarHBondContact O-N 2.95Å; L91-Y125 PolarHBondContact O-N 2.84Å; L91-M153 HydrophobicContact CD1-CG 4.23Å; L91-V157 HydrophobicContact CD1-CG1 4.22Å; L91-L374 HydrophobicContact CD2-CD1 3.86Å; L91-L374 HydrophobicContact CD2-CD2 3.99Å
92	F	98.3	Very high	94.9	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.1	-171.9	-66.3	-105.6	0	0	0	113	I84 C89 S90 F121 R122 I123 V157 Y160	I84-F92 HydrophobicContact CD1-CD1 4.22Å; I84-F92 HydrophobicContact CD1-CD2 4.35Å; I84-F92 HydrophobicContact CD1-CE1 3.51Å; I84-F92 HydrophobicContact CD1-CE2 3.71Å; I84-F92 HydrophobicContact CD1-CZ 3.24Å; I84-F92 HydrophobicContact CG1-CE2 4.34Å; I84-F92 HydrophobicContact CG1-CZ 4.09Å; I84-F92 HydrophobicContact CG2-CD2 4.46Å; I84-F92 HydrophobicContact CG2-CE2 3.98Å; C89-F92 PolarHBondContact O-N 2.89Å; S90-F92 VanDerWaalsContact C-N 3.28Å; F92-F121 HydrophobicContact CB-CD2 4.27Å; F92-F121 HydrophobicContact CB-CE2 3.43Å; F92-F121 VanDerWaalsContact CB-CE2 3.43Å; F92-F121 HydrophobicContact CB-CZ 3.65Å; F92-F121 HydrophobicContact CD1-CD1 4.07Å; F92-F121 HydrophobicContact CD1-CD2 4.31Å; F92-F121 AromaticContact CD1-CE1 3.45Å; F92-F121 HydrophobicContact CD1-CE1 3.45Å; F92-F121 VanDerWaalsContact CD1-CE1 3.45Å; F92-F121 AromaticContact CD1-CE2 3.75Å; F92-F121 HydrophobicContact CD1-CE2 3.75Å; F92-F121 HydrophobicContact CD1-CG 4.46Å; F92-F121 AromaticContact CD1-CZ 3.26Å; F92-F121 HydrophobicContact CD1-CZ 3.26Å; F92-F121 HydrophobicContact CD2-CZ 4.38Å; F92-F121 HydrophobicContact CE1-CD1 4.44Å; F92-F121 AromaticContact CE1-CE1 3.76Å; F92-F121 HydrophobicContact CE1-CE1 3.76Å; F92-F121 AromaticContact CE1-CZ 3.96Å; F92-F121 HydrophobicContact CE1-CZ 3.96Å; F92-F121 HydrophobicContact CG-CE1 4.18Å; F92-F121 AromaticContact CG-CE2 3.85Å; F92-F121 HydrophobicContact CG-CE2 3.85Å; F92-F121 AromaticContact CG-CZ 3.52Å; F92-F121 HydrophobicContact CG-CZ 3.52Å; F92-R122 CarbonylContact C-O 3.59Å; F92-R122 WeakPolarHBondContact CA-O 3.42Å; F92-I123 HydrophobicContact CD1-CG1 3.83Å; F92-I123 HydrophobicContact CD2-CG1 4.39Å; F92-I123 HydrophobicContact CE1-CD1 4.1Å; F92-I123 HydrophobicContact CE1-CG1 3.32Å; F92-I123 HydrophobicContact CE2-CG1 3.92Å; F92-I123 HydrophobicContact CG-CG1 4.34Å; F92-I123 HydrophobicContact CZ-CD1 3.8Å; F92-I123 HydrophobicContact CZ-CG1 3.35Å; F92-V157 HydrophobicContact CE2-CG1 4.18Å; F92-V157 HydrophobicContact CE2-CG2 4.1Å; F92-V157 HydrophobicContact CZ-CG1 4.21Å; F92-V157 HydrophobicContact CZ-CG2 4.35Å; F92-Y160 HydrophobicContact CD1-CE1 4.43Å; F92-Y160 AromaticContact CE1-CD1 3.59Å; F92-Y160 HydrophobicContact CE1-CD1 3.59Å; F92-Y160 HydrophobicContact CE1-CD2 4.49Å; F92-Y160 AromaticContact CE1-CE1 3.83Å; F92-Y160 HydrophobicContact CE1-CE1 3.83Å; F92-Y160 AromaticContact CE1-CG 3.95Å; F92-Y160 HydrophobicContact CE1-CG 3.95Å; F92-Y160 HydrophobicContact CZ-CD1 4.3Å; F92-Y160 HydrophobicContact CZ-CG 4.37Å
93	C	97.8	Very high	95.1	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	171.6	172	-73.3	0	0	0	0	110.9	Y102 R122 R124 Y125	C93-Y102 HydrophobicContact CB-CD1 3.83Å; C93-Y102 HydrophobicContact CB-CE1 4.32Å; C93-R122 PolarHBondContact N-O 2.85Å; C93-R122 PolarHBondContact O-N 2.83Å; C93-R124 HydrophobicContact CB-CB 4.05Å; C93-Y125 VanDerWaalsContact SG-CE2 3.56Å
94	L	98.1	Very high	95.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.7	170.2	-56.5	-176.9	0	0	0	110.4	L43 A71 L74 C75 Y102 F103 F109 L119 L120 F121	L43-L94 HydrophobicContact CD1-CD2 3.58Å; L43-L94 HydrophobicContact CD2-CD2 4.41Å; A71-L94 HydrophobicContact CB-CD1 4.03Å; L74-L94 HydrophobicContact CB-CD1 3.85Å; L74-L94 HydrophobicContact CD1-CD1 4.08Å; C75-L94 VanDerWaalsContact SG-CG 3.57Å; L94-Y102 WeakPolarHBondContact O-CA 3.36Å; L94-F103 HydrophobicContact CB-CD2 4.36Å; L94-F103 PolarHBondContact O-N 2.79Å; L94-F109 HydrophobicContact CD1-CE2 3.92Å; L94-F109 HydrophobicContact CD1-CZ 4.23Å; L94-L119 HydrophobicContact CD1-CD1 4.06Å; L94-L120 WeakPolarHBondContact CA-O 3.08Å; L94-F121 HydrophobicContact CD2-CB 4.41Å; L94-F121 HydrophobicContact CD2-CD2 4.08Å
95	M	97	Very high	95.3	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.039	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.2	174.1	-170.4	178.3	75.4	0	0	109.7	R100 I101 Y102 L119 L120 W173	M95-R100 HydrophobicContact CE-CB 4.22Å; M95-R100 HydrophobicContact CE-CG 4.31Å; M95-R100 HydrophobicContact SD-CB 3.98Å; M95-I101 WeakPolarHBondContact CA-O 3.42Å; M95-Y102 HydrophobicContact CB-CD1 3.79Å; M95-Y102 HydrophobicContact CB-CE1 3.79Å; M95-Y102 HydrophobicContact CB-CG 4.3Å; M95-Y102 HydrophobicContact CG-CD1 4.25Å; M95-Y102 HydrophobicContact CG-CD2 4.38Å; M95-Y102 HydrophobicContact CG-CE1 4.26Å; M95-Y102 HydrophobicContact CG-CE2 4.37Å; M95-Y102 HydrophobicContact CG-CG 4.31Å; M95-Y102 HydrophobicContact SD-CD2 4.36Å; M95-Y102 HydrophobicContact SD-CE1 4.23Å; M95-Y102 HydrophobicContact SD-CE2 3.82Å; M95-L119 CarbonylContact O-C 3.45Å; M95-L119 WeakPolarHBondContact O-CA 3.39Å; M95-L120 HydrophobicContact CB-CB 4.42Å; M95-L120 HydrophobicContact CE-CD1 3.46Å; M95-L120 VanDerWaalsContact CE-CD1 3.46Å; M95-L120 PolarHBondContact N-O 2.93Å; M95-L120 PolarHBondContact O-N 3.37Å; M95-W173 HydrophobicContact CE-CZ3 3.79Å
96	K	94.4	Very high	95.4	Very high	45 Å²	45	36.5 Å²	36.5	20%	0.196	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.6	171.8	-171.4	167.1	-168.4	149.6	0	109.8	N98 D99 R100 I101 F103 E117	K96-N98 PolarHBondContact O-N 2.84Å; K96-D99 VanDerWaalsContact CB-OD1 3.27Å; K96-D99 WeakPolarHBondContact CB-OD1 3.43Å; K96-R100 WeakPolarHBondContact O-CA 3.06Å; K96-R100 PolarHBondContact O-N 2.77Å; K96-R100 VanDerWaalsContact O-N 3.1Å; K96-I101 PolarHBondContact N-O 2.87Å; K96-F103 HydrophobicContact CB-CE2 3.64Å; K96-F103 HydrophobicContact CB-CZ 3.93Å; K96-F103 HydrophobicContact CD-CZ 4.22Å; K96-F103 HydrophobicContact CG-CZ 4.47Å; K96-E117 WeakPolarHBondContact CE-OE2 3.21Å; K96-E117 IonicContact NZ-OE1 2.94Å; K96-E117 PolarHBondContact NZ-OE1 2.9Å; K96-E117 IonicContact NZ-OE2 3.94Å; K96-E117 PolarHBondContact NZ-OE2 3.38Å; K96-E117 VanDerWaalsContact NZ-OE2 3.07Å
97	E	89.9	Confident	95.4	Very high	76 Å²	76	38.6 Å²	38.6	36%	0.355	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-38.5	-174.5	-174.1	176.6	-151.5	0	0	112.9	N118 L120	E97-N118 HydrophobicContact CB-CB 4.01Å; E97-N118 WeakPolarHBondContact CB-O 3.25Å; E97-N118 PolarHBondContact N-O 3.25Å; E97-N118 VanDerWaalsContact N-O 3.08Å; E97-N118 WeakPolarHBondContact OE2-CB 3.29Å; E97-N118 PolarHBondContact OE2-ND2 2.99Å; E97-L120 HydrophobicContact CB-CD1 4.4Å; E97-L120 HydrophobicContact CB-CG 4.27Å; E97-L120 HydrophobicContact CG-CD1 4.36Å; E97-L120 HydrophobicContact CG-CD2 4.41Å
98	N	87.8	Confident	95.4	Very high	133 Å²	133	41 Å²	41	71%	0.711	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-52.3	-169.9	-69.8	-19.8	0	0	0	114	K96	K96-N98 PolarHBondContact O-N 2.84Å
99	D	88.1	Confident	95.3	Very high	83 Å²	83	40 Å²	40	44%	0.444	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-7.1	-176.8	60	14.3	0	0	0	113	K96 I101	K96-D99 VanDerWaalsContact CB-OD1 3.27Å; K96-D99 WeakPolarHBondContact CB-OD1 3.43Å; D99-I101 HydrophobicContact CB-CD1 4.26Å; D99-I101 HydrophobicContact CB-CG1 4.22Å; D99-I101 PolarHBondContact O-N 2.72Å; D99-I101 PolarHBondContact OD1-N 2.87Å; D99-I101 VanDerWaalsContact OD1-N 3.13Å
100	R	91.4	Very high	95	Very high	113 Å²	113	45.8 Å²	45.8	43%	0.426	23%	0.227	S	C	.	.			trans	60.8	28.8	178.9	-53	-179.5	177.7	-176.5	-1.5	113.8	M95 K96 W173	M95-R100 HydrophobicContact CE-CB 4.22Å; M95-R100 HydrophobicContact CE-CG 4.31Å; M95-R100 HydrophobicContact SD-CB 3.98Å; K96-R100 WeakPolarHBondContact O-CA 3.06Å; K96-R100 PolarHBondContact O-N 2.77Å; K96-R100 VanDerWaalsContact O-N 3.1Å; R100-W173 HydrophobicContact CG-CZ3 4.17Å; R100-W173 VanDerWaalsContact CZ-CE3 3.44Å; R100-W173 VanDerWaalsContact NH2-CE2 3.34Å
101	I	94.5	Very high	94.5	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.128	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-88.7	135.4	175	-58.8	177.5	0	0	0	109.3	M95 K96 D99 E360	M95-I101 WeakPolarHBondContact CA-O 3.42Å; K96-I101 PolarHBondContact N-O 2.87Å; D99-I101 HydrophobicContact CB-CD1 4.26Å; D99-I101 HydrophobicContact CB-CG1 4.22Å; D99-I101 PolarHBondContact O-N 2.72Å; D99-I101 PolarHBondContact OD1-N 2.87Å; D99-I101 VanDerWaalsContact OD1-N 3.13Å; I101-E360 HydrophobicContact CD1-CG 4.13Å
102	Y	97.6	Very high	93.6	Very high	27 Å²	27	48.9 Å²	48.9	11%	0.106	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-81.9	142.2	174.5	-73.4	-86.8	0	0	0	111.5	C93 L94 M95 R122 R124 S363	C93-Y102 HydrophobicContact CB-CD1 3.83Å; C93-Y102 HydrophobicContact CB-CE1 4.32Å; L94-Y102 WeakPolarHBondContact O-CA 3.36Å; M95-Y102 HydrophobicContact CB-CD1 3.79Å; M95-Y102 HydrophobicContact CB-CE1 3.79Å; M95-Y102 HydrophobicContact CB-CG 4.3Å; M95-Y102 HydrophobicContact CG-CD1 4.25Å; M95-Y102 HydrophobicContact CG-CD2 4.38Å; M95-Y102 HydrophobicContact CG-CE1 4.26Å; M95-Y102 HydrophobicContact CG-CE2 4.37Å; M95-Y102 HydrophobicContact CG-CG 4.31Å; M95-Y102 HydrophobicContact SD-CD2 4.36Å; M95-Y102 HydrophobicContact SD-CE1 4.23Å; M95-Y102 HydrophobicContact SD-CE2 3.82Å; Y102-R122 HydrophobicContact CE1-CB 4.37Å; Y102-R124 HydrophobicContact CD1-CB 4.45Å; Y102-R124 HydrophobicContact CD1-CG 4.09Å; Y102-R124 HydrophobicContact CD2-CG 4.47Å; Y102-R124 HydrophobicContact CE1-CB 3.98Å; Y102-R124 HydrophobicContact CE1-CG 3.84Å; Y102-R124 HydrophobicContact CE2-CG 4.25Å; Y102-R124 HydrophobicContact CG-CG 4.4Å; Y102-S363 WeakPolarHBondContact O-CB 3.32Å
103	F	97.7	Very high	92.4	Very high	30 Å²	30	55 Å²	55	13%	0.132	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-89.1	143.1	174.2	-66.5	-80.9	0	0	0	111.3	L94 K96 H107 F109 L119	L94-F103 HydrophobicContact CB-CD2 4.36Å; L94-F103 PolarHBondContact O-N 2.79Å; K96-F103 HydrophobicContact CB-CE2 3.64Å; K96-F103 HydrophobicContact CB-CZ 3.93Å; K96-F103 HydrophobicContact CD-CZ 4.22Å; K96-F103 HydrophobicContact CG-CZ 4.47Å; F103-H107 HydrophobicContact CB-CB 4.08Å; F103-H107 HydrophobicContact CD1-CB 4.28Å; F103-H107 AromaticContact CD1-CD2 3.5Å; F103-H107 AromaticContact CD1-CE1 3.81Å; F103-H107 AromaticContact CD1-CG 3.61Å; F103-H107 AromaticContact CD1-ND1 3.8Å; F103-H107 AromaticContact CD1-NE2 3.64Å; F103-H107 AromaticContact CE1-CD2 3.92Å; F103-H107 AromaticContact CE1-CE1 3.89Å; F103-H107 AromaticContact CE1-NE2 3.6Å; F103-F109 HydrophobicContact CB-CZ 4.34Å; F103-F109 HydrophobicContact CD1-CE1 4.13Å; F103-F109 HydrophobicContact CD1-CZ 4.12Å; F103-F109 HydrophobicContact CD2-CE1 4.03Å; F103-F109 AromaticContact CD2-CZ 3.71Å; F103-F109 HydrophobicContact CD2-CZ 3.71Å; F103-F109 AromaticContact CE1-CE1 3.9Å; F103-F109 HydrophobicContact CE1-CE1 3.9Å; F103-F109 HydrophobicContact CE1-CZ 4.34Å; F103-F109 AromaticContact CE2-CE1 3.78Å; F103-F109 HydrophobicContact CE2-CE1 3.78Å; F103-F109 AromaticContact CE2-CZ 3.94Å; F103-F109 HydrophobicContact CE2-CZ 3.94Å; F103-F109 HydrophobicContact CG-CE1 4.18Å; F103-F109 AromaticContact CG-CZ 3.79Å; F103-F109 HydrophobicContact CG-CZ 3.79Å; F103-F109 AromaticContact CZ-CE1 3.72Å; F103-F109 HydrophobicContact CZ-CE1 3.72Å; F103-F109 HydrophobicContact CZ-CZ 4.25Å; F103-L119 HydrophobicContact CD2-CD2 4.31Å; F103-L119 HydrophobicContact CE2-CD2 3.61Å; F103-L119 HydrophobicContact CZ-CD2 4.38Å
104	P	97.6	Very high	91	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.032	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.6	153.3	167.3	31.8	-35.9	0	0	0	110.3	N106 H107 L362 V386	P104-N106 WeakPolarHBondContact CB-OD1 3.39Å; P104-N106 PolarHBondContact O-N 3.21Å; P104-H107 HydrophobicContact CG-CB 4.03Å; P104-H107 VanDerWaalsContact O-CB 3.22Å; P104-H107 WeakPolarHBondContact O-CB 3.36Å; P104-H107 PolarHBondContact O-N 3.26Å; P104-L362 HydrophobicContact CG-CB 4.15Å; P104-V386 HydrophobicContact CB-CB 3.82Å; P104-V386 HydrophobicContact CB-CG1 3.76Å; P104-V386 HydrophobicContact CG-CG1 4.45Å
105	P	97.7	Very high	89.7	Confident	22 Å²	22	61.7 Å²	61.7	14%	0.143	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.2	-173.7	24.6	-34.3	0	0	0	114	E72 V386 P388	E72-P105 HydrophobicContact CB-CB 4.31Å; E72-P105 VanDerWaalsContact CB-O 3.31Å; E72-P105 WeakPolarHBondContact CB-O 3.19Å; E72-P105 PolarHBondContact N-O 2.87Å; P105-V386 WeakPolarHBondContact CD-O 3.43Å; P105-V386 VanDerWaalsContact CG-O 3.27Å; P105-V386 WeakPolarHBondContact CG-O 3.03Å; P105-P388 HydrophobicContact CB-CB 4.16Å; P105-P388 HydrophobicContact CB-CG 4.36Å; P105-P388 HydrophobicContact CG-CB 4.03Å; P105-P388 HydrophobicContact CG-CG 3.77Å
106	N	97.3	Very high	88.9	Confident	45 Å²	45	64.4 Å²	64.4	24%	0.241	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	5.3	175.3	67.8	-23.7	0	0	0	113.9	P104 V108 E385 V386 A387 P389	P104-N106 WeakPolarHBondContact CB-OD1 3.39Å; P104-N106 PolarHBondContact O-N 3.21Å; N106-V108 PolarHBondContact O-N 3.39Å; N106-E385 VanDerWaalsContact ND2-C 3.32Å; N106-E385 PolarHBondContact ND2-O 2.57Å; N106-E385 PolarHBondContact OD1-O 3.3Å; N106-V386 WeakPolarHBondContact OD1-CA 3.39Å; N106-A387 WeakPolarHBondContact CB-O 3.47Å; N106-P389 HydrophobicContact CB-CG 3.88Å
107	H	97	Very high	88.6	Confident	58 Å²	58	64.8 Å²	64.8	27%	0.269	34%	0.344	S	S	.	.			trans	-60	135.1	177.2	-173.5	79.1	0	0	0	110.3	V70 A71 F103 P104 F109	V70-H107 WeakPolarHBondContact CA-O 3.35Å; A71-H107 HydrophobicContact CB-CB 4.12Å; A71-H107 PolarHBondContact N-O 3.32Å; F103-H107 HydrophobicContact CB-CB 4.08Å; F103-H107 HydrophobicContact CD1-CB 4.28Å; F103-H107 AromaticContact CD1-CD2 3.5Å; F103-H107 AromaticContact CD1-CE1 3.81Å; F103-H107 AromaticContact CD1-CG 3.61Å; F103-H107 AromaticContact CD1-ND1 3.8Å; F103-H107 AromaticContact CD1-NE2 3.64Å; F103-H107 AromaticContact CE1-CD2 3.92Å; F103-H107 AromaticContact CE1-CE1 3.89Å; F103-H107 AromaticContact CE1-NE2 3.6Å; P104-H107 HydrophobicContact CG-CB 4.03Å; P104-H107 VanDerWaalsContact O-CB 3.22Å; P104-H107 WeakPolarHBondContact O-CB 3.36Å; P104-H107 PolarHBondContact O-N 3.26Å; H107-F109 AromaticContact CD2-CD1 3.73Å; H107-F109 AromaticContact CD2-CD2 3.99Å; H107-F109 AromaticContact CD2-CE1 3.56Å; H107-F109 AromaticContact CD2-CE2 3.84Å; H107-F109 AromaticContact CD2-CG 3.94Å; H107-F109 AromaticContact CD2-CZ 3.62Å; H107-F109 AromaticContact NE2-CD1 3.83Å; H107-F109 AromaticContact NE2-CE1 3.83Å
108	V	96.1	Very high	88.7	Confident	63 Å²	63	64.3 Å²	64.3	38%	0.382	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.7	177.3	-176.2	0	0	0	0	108.6	E68 Y69 V70 N106 K110	E68-V108 HydrophobicContact CB-CG1 4.44Å; Y69-V108 CarbonylContact O-C 3.55Å; Y69-V108 WeakPolarHBondContact O-CA 3.26Å; V70-V108 HydrophobicContact CG2-CG2 4.48Å; N106-V108 PolarHBondContact O-N 3.39Å; V108-K110 HydrophobicContact CG1-CG 4.29Å
109	F	92.8	Very high	89.1	Confident	10 Å²	10	58 Å²	58	4%	0.044	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.7	170	-61.1	-81.5	0	0	0	108.7	L41 E68 Y69 A71 L74 L94 F103 H107 L119	L41-F109 HydrophobicContact CD1-CB 4.02Å; L41-F109 HydrophobicContact CD1-CD1 4.4Å; L41-F109 HydrophobicContact CD1-CD2 4.5Å; L41-F109 HydrophobicContact CD1-CG 4.06Å; E68-F109 VanDerWaalsContact CA-O 3.3Å; E68-F109 WeakPolarHBondContact CA-O 3.35Å; Y69-F109 PolarHBondContact N-O 2.93Å; Y69-F109 PolarHBondContact O-N 3.49Å; A71-F109 HydrophobicContact CB-CE2 3.79Å; L74-F109 HydrophobicContact CD1-CD2 3.75Å; L74-F109 HydrophobicContact CD1-CE2 3.93Å; L94-F109 HydrophobicContact CD1-CE2 3.92Å; L94-F109 HydrophobicContact CD1-CZ 4.23Å; F103-F109 HydrophobicContact CB-CZ 4.34Å; F103-F109 HydrophobicContact CD1-CE1 4.13Å; F103-F109 HydrophobicContact CD1-CZ 4.12Å; F103-F109 HydrophobicContact CD2-CE1 4.03Å; F103-F109 AromaticContact CD2-CZ 3.71Å; F103-F109 HydrophobicContact CD2-CZ 3.71Å; F103-F109 AromaticContact CE1-CE1 3.9Å; F103-F109 HydrophobicContact CE1-CE1 3.9Å; F103-F109 HydrophobicContact CE1-CZ 4.34Å; F103-F109 AromaticContact CE2-CE1 3.78Å; F103-F109 HydrophobicContact CE2-CE1 3.78Å; F103-F109 AromaticContact CE2-CZ 3.94Å; F103-F109 HydrophobicContact CE2-CZ 3.94Å; F103-F109 HydrophobicContact CG-CE1 4.18Å; F103-F109 AromaticContact CG-CZ 3.79Å; F103-F109 HydrophobicContact CG-CZ 3.79Å; F103-F109 AromaticContact CZ-CE1 3.72Å; F103-F109 HydrophobicContact CZ-CE1 3.72Å; F103-F109 HydrophobicContact CZ-CZ 4.25Å; H107-F109 AromaticContact CD2-CD1 3.73Å; H107-F109 AromaticContact CD2-CD2 3.99Å; H107-F109 AromaticContact CD2-CE1 3.56Å; H107-F109 AromaticContact CD2-CE2 3.84Å; H107-F109 AromaticContact CD2-CG 3.94Å; H107-F109 AromaticContact CD2-CZ 3.62Å; H107-F109 AromaticContact NE2-CD1 3.83Å; H107-F109 AromaticContact NE2-CE1 3.83Å; F109-L119 HydrophobicContact CD1-CD1 4.34Å; F109-L119 HydrophobicContact CE1-CD1 3.75Å; F109-L119 HydrophobicContact CE1-CD2 3.92Å; F109-L119 HydrophobicContact CE1-CG 4.49Å; F109-L119 HydrophobicContact CE2-CD1 3.95Å; F109-L119 HydrophobicContact CZ-CD1 3.53Å; F109-L119 HydrophobicContact CZ-CD2 4.17Å
110	K	90.1	Very high	89.5	Confident	140 Å²	140	54.3 Å²	54.3	61%	0.609	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	102.5	173	-59	-170.4	179.2	-125	0	107.9	E68 V108	E68-K110 HydrophobicContact CG-CG 4.28Å; E68-K110 WeakPolarHBondContact OE1-CE 3.36Å; E68-K110 IonicContact OE1-NZ 3.29Å; E68-K110 PolarHBondContact OE1-NZ 2.78Å; V108-K110 HydrophobicContact CG1-CG 4.29Å
111	L	85.8	Confident	89.8	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.3	-176.5	-139.2	95.4	0	0	0	109.9	V39 L41 P66 G67 A115 E117	V39-L111 HydrophobicContact CG1-CD2 4.31Å; L41-L111 HydrophobicContact CB-CD1 4.06Å; L41-L111 HydrophobicContact CB-CD2 4.06Å; L41-L111 HydrophobicContact CD1-CD1 4.23Å; P66-L111 WeakPolarHBondContact CB-O 3.45Å; G67-L111 PolarHBondContact N-O 3.11Å; G67-L111 PolarHBondContact O-N 2.6Å; L111-A115 VanDerWaalsContact CD2-O 3.3Å; L111-A115 WeakPolarHBondContact CD2-O 3.47Å; L111-A115 VanDerWaalsContact CG-O 3.27Å; L111-A115 WeakPolarHBondContact CG-O 3.44Å; L111-E117 HydrophobicContact CD1-CB 3.88Å; L111-E117 HydrophobicContact CD1-CG 3.86Å
112	D	79.3	Confident	89.9	Confident	113 Å²	113	48.5 Å²	48.5	60%	0.604	27%	0.267	S	S	*	.			trans	-81.9	164.8	171.9	-68.6	-28.3	0	0	0	110.9	V39 S114 A115	V39-D112 WeakPolarHBondContact CG1-O 3.46Å; D112-S114 PolarHBondContact O-N 3.43Å; D112-A115 PolarHBondContact O-N 3.31Å
113	N	72.6	Confident	90	Very high	138 Å²	138	47.6 Å²	47.6	74%	0.738	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	5.9	177.6	-67.2	-20.9	0	0	0	115	V39 P66	V39-N113 WeakPolarHBondContact CG2-O 3.4Å; P66-N113 WeakPolarHBondContact CB-OD1 3.47Å; P66-N113 WeakPolarHBondContact CG-OD1 3.14Å
114	S	68.9	Low	90	Very high	103 Å²	103	46.7 Å²	46.7	72%	0.72	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-9	-174.9	57.4	0	0	0	0	114.9	D112	D112-S114 PolarHBondContact O-N 3.43Å
115	A	70.9	Confident	90	Very high	47 Å²	47	46.8 Å²	46.8	39%	0.388	26%	0.26	S	S	.	.			trans	-129.8	125	-172.6	0	0	0	0	0	112.6	V39 L111 D112	V39-A115 VanDerWaalsContact CG1-C 3.43Å; V39-A115 WeakPolarHBondContact CG1-O 3.48Å; L111-A115 VanDerWaalsContact CD2-O 3.3Å; L111-A115 WeakPolarHBondContact CD2-O 3.47Å; L111-A115 VanDerWaalsContact CG-O 3.27Å; L111-A115 WeakPolarHBondContact CG-O 3.44Å; D112-A115 PolarHBondContact O-N 3.31Å
116	S	80.6	Confident	89.9	Confident	65 Å²	65	46 Å²	46	46%	0.455	25%	0.254	S	S	.	.			trans	-100.7	139.7	172.4	-53.2	0	0	0	0	110.3	T40	T40-S116 WeakPolarHBondContact O-CA 3.41Å; T40-S116 WeakPolarHBondContact O-CB 3.42Å
117	E	87.2	Confident	89.8	Confident	53 Å²	53	44 Å²	44	25%	0.248	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.2	179	-77.4	-73.1	178.5	0	0	110	T40 L41 T42 K96 L111	T40-E117 PolarHBondContact O-N 3.18Å; L41-E117 WeakPolarHBondContact CA-O 3.45Å; T42-E117 PolarHBondContact N-O 2.89Å; K96-E117 WeakPolarHBondContact CE-OE2 3.21Å; K96-E117 IonicContact NZ-OE1 2.94Å; K96-E117 PolarHBondContact NZ-OE1 2.9Å; K96-E117 IonicContact NZ-OE2 3.94Å; K96-E117 PolarHBondContact NZ-OE2 3.38Å; K96-E117 VanDerWaalsContact NZ-OE2 3.07Å; L111-E117 HydrophobicContact CD1-CB 3.88Å; L111-E117 HydrophobicContact CD1-CG 3.86Å
118	N	92.4	Very high	89.5	Confident	67 Å²	67	41.8 Å²	41.8	36%	0.358	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.1	178	-69.7	-13.4	0	0	0	110.2	T42 E97	T42-N118 WeakPolarHBondContact O-CA 3.44Å; E97-N118 HydrophobicContact CB-CB 4.01Å; E97-N118 WeakPolarHBondContact CB-O 3.25Å; E97-N118 PolarHBondContact N-O 3.25Å; E97-N118 VanDerWaalsContact N-O 3.08Å; E97-N118 WeakPolarHBondContact OE2-CB 3.29Å; E97-N118 PolarHBondContact OE2-ND2 2.99Å
119	L	95.6	Very high	89.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.9	-176.7	-56	-177.4	0	0	0	110.5	L41 T42 L43 H44 L74 L94 M95 F103 F109	L41-L119 HydrophobicContact CD1-CD1 4.08Å; L41-L119 HydrophobicContact CD2-CD1 4.06Å; L41-L119 HydrophobicContact CG-CD1 4.2Å; T42-L119 PolarHBondContact O-N 2.81Å; L43-L119 WeakPolarHBondContact CA-O 3.23Å; L43-L119 HydrophobicContact CD1-CB 3.72Å; H44-L119 PolarHBondContact N-O 3.35Å; L74-L119 HydrophobicContact CD1-CD1 4.37Å; L94-L119 HydrophobicContact CD1-CD1 4.06Å; M95-L119 CarbonylContact O-C 3.45Å; M95-L119 WeakPolarHBondContact O-CA 3.39Å; F103-L119 HydrophobicContact CD2-CD2 4.31Å; F103-L119 HydrophobicContact CE2-CD2 3.61Å; F103-L119 HydrophobicContact CZ-CD2 4.38Å; F109-L119 HydrophobicContact CD1-CD1 4.34Å; F109-L119 HydrophobicContact CE1-CD1 3.75Å; F109-L119 HydrophobicContact CE1-CD2 3.92Å; F109-L119 HydrophobicContact CE1-CG 4.49Å; F109-L119 HydrophobicContact CE2-CD1 3.95Å; F109-L119 HydrophobicContact CZ-CD1 3.53Å; F109-L119 HydrophobicContact CZ-CD2 4.17Å
120	L	96.7	Very high	88.9	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.6	176.5	-54.7	176.5	0	0	0	108.8	H44 L94 M95 E97 R122 W173	H44-L120 HydrophobicContact CB-CD2 3.72Å; L94-L120 WeakPolarHBondContact CA-O 3.08Å; M95-L120 HydrophobicContact CB-CB 4.42Å; M95-L120 HydrophobicContact CE-CD1 3.46Å; M95-L120 VanDerWaalsContact CE-CD1 3.46Å; M95-L120 PolarHBondContact N-O 2.93Å; M95-L120 PolarHBondContact O-N 3.37Å; E97-L120 HydrophobicContact CB-CD1 4.4Å; E97-L120 HydrophobicContact CB-CG 4.27Å; E97-L120 HydrophobicContact CG-CD1 4.36Å; E97-L120 HydrophobicContact CG-CD2 4.41Å; L120-R122 HydrophobicContact CB-CG 3.94Å; L120-W173 HydrophobicContact CD1-CH2 3.81Å; L120-W173 HydrophobicContact CD1-CZ3 3.93Å
121	F	97.8	Very high	88.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.1	171	-179.2	-123.3	0	0	0	109.2	L43 H44 L45 Y46 C75 A78 A79 I84 F92 L94 Y160	L43-F121 HydrophobicContact CD1-CB 3.98Å; L43-F121 HydrophobicContact CG-CB 4.35Å; H44-F121 PolarHBondContact O-N 2.97Å; H44-F121 VanDerWaalsContact O-N 3.09Å; L45-F121 HydrophobicContact CD2-CB 3.85Å; L45-F121 HydrophobicContact CD2-CD1 3.89Å; L45-F121 HydrophobicContact CD2-CG 4.2Å; Y46-F121 WeakPolarHBondContact CD2-O 3.47Å; C75-F121 HydrophobicContact CB-CE2 4.15Å; A78-F121 HydrophobicContact CB-CB 4.2Å; A78-F121 HydrophobicContact CB-CD1 3.66Å; A78-F121 HydrophobicContact CB-CD2 3.79Å; A78-F121 HydrophobicContact CB-CE1 3.88Å; A78-F121 HydrophobicContact CB-CE2 3.99Å; A78-F121 HydrophobicContact CB-CG 3.62Å; A78-F121 HydrophobicContact CB-CZ 4.04Å; A79-F121 HydrophobicContact CB-CZ 4.05Å; I84-F121 HydrophobicContact CD1-CE1 3.71Å; I84-F121 HydrophobicContact CD1-CZ 4.05Å; F92-F121 HydrophobicContact CB-CD2 4.27Å; F92-F121 HydrophobicContact CB-CE2 3.43Å; F92-F121 VanDerWaalsContact CB-CE2 3.43Å; F92-F121 HydrophobicContact CB-CZ 3.65Å; F92-F121 HydrophobicContact CD1-CD1 4.07Å; F92-F121 HydrophobicContact CD1-CD2 4.31Å; F92-F121 AromaticContact CD1-CE1 3.45Å; F92-F121 HydrophobicContact CD1-CE1 3.45Å; F92-F121 VanDerWaalsContact CD1-CE1 3.45Å; F92-F121 AromaticContact CD1-CE2 3.75Å; F92-F121 HydrophobicContact CD1-CE2 3.75Å; F92-F121 HydrophobicContact CD1-CG 4.46Å; F92-F121 AromaticContact CD1-CZ 3.26Å; F92-F121 HydrophobicContact CD1-CZ 3.26Å; F92-F121 HydrophobicContact CD2-CZ 4.38Å; F92-F121 HydrophobicContact CE1-CD1 4.44Å; F92-F121 AromaticContact CE1-CE1 3.76Å; F92-F121 HydrophobicContact CE1-CE1 3.76Å; F92-F121 AromaticContact CE1-CZ 3.96Å; F92-F121 HydrophobicContact CE1-CZ 3.96Å; F92-F121 HydrophobicContact CG-CE1 4.18Å; F92-F121 AromaticContact CG-CE2 3.85Å; F92-F121 HydrophobicContact CG-CE2 3.85Å; F92-F121 AromaticContact CG-CZ 3.52Å; F92-F121 HydrophobicContact CG-CZ 3.52Å; L94-F121 HydrophobicContact CD2-CB 4.41Å; L94-F121 HydrophobicContact CD2-CD2 4.08Å; F121-Y160 HydrophobicContact CD1-CE1 4.4Å; F121-Y160 AromaticContact CD1-CE2 3.99Å; F121-Y160 HydrophobicContact CD1-CE2 3.99Å; F121-Y160 AromaticContact CD1-CZ 3.64Å; F121-Y160 VanDerWaalsContact CD1-OH 3.26Å; F121-Y160 WeakPolarHBondContact CD1-OH 3.49Å; F121-Y160 HydrophobicContact CE1-CE2 4.31Å; F121-Y160 WeakPolarHBondContact O-CE1 3.34Å; F121-Y160 PolarHBondContact O-OH 3.17Å
122	R	97.3	Very high	88.2	Confident	16 Å²	16	37 Å²	37	6%	0.06	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.8	-167.8	-68.1	177.7	64.7	89	3.4	112.6	Y46 F92 C93 Y102 L120 R124 Q164 D168	Y46-R122 HydrophobicContact CD2-CG 4.44Å; Y46-R122 HydrophobicContact CE2-CG 3.62Å; Y46-R122 VanDerWaalsContact CZ-NH1 3.29Å; Y46-R122 PolarHBondContact OH-NH1 2.91Å; F92-R122 CarbonylContact C-O 3.59Å; F92-R122 WeakPolarHBondContact CA-O 3.42Å; C93-R122 PolarHBondContact N-O 2.85Å; C93-R122 PolarHBondContact O-N 2.83Å; Y102-R122 HydrophobicContact CE1-CB 4.37Å; L120-R122 HydrophobicContact CB-CG 3.94Å; R122-R124 PolarHBondContact O-N 3.38Å; R122-Q164 VanDerWaalsContact CA-OE1 3.27Å; R122-D168 IonicContact CZ-OD1 3.47Å; R122-D168 IonicContact CZ-OD2 3.5Å; R122-D168 IonicContact NH1-OD1 3.51Å; R122-D168 PolarHBondContact NH1-OD1 3.45Å; R122-D168 IonicContact NH1-OD2 3.58Å; R122-D168 PolarHBondContact NH1-OD2 2.92Å; R122-D168 IonicContact NH2-OD1 2.77Å; R122-D168 PolarHBondContact NH2-OD1 3.42Å; R122-D168 IonicContact NH2-OD2 2.71Å; R122-D168 PolarHBondContact NH2-OD2 3.45Å
123	I	98.1	Very high	87.4	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.5	162.4	-61.5	170.8	0	0	0	107.2	L91 F92 M153 V157 Y160 L161 Q164	L91-I123 WeakPolarHBondContact O-CA 3.41Å; F92-I123 HydrophobicContact CD1-CG1 3.83Å; F92-I123 HydrophobicContact CD2-CG1 4.39Å; F92-I123 HydrophobicContact CE1-CD1 4.1Å; F92-I123 HydrophobicContact CE1-CG1 3.32Å; F92-I123 HydrophobicContact CE2-CG1 3.92Å; F92-I123 HydrophobicContact CG-CG1 4.34Å; F92-I123 HydrophobicContact CZ-CD1 3.8Å; F92-I123 HydrophobicContact CZ-CG1 3.35Å; I123-M153 HydrophobicContact CG2-CE 4.49Å; I123-V157 HydrophobicContact CD1-CG1 3.83Å; I123-Y160 HydrophobicContact CD1-CD1 4.28Å; I123-Y160 HydrophobicContact CG1-CD1 4.29Å; I123-L161 HydrophobicContact CB-CD1 4.3Å; I123-L161 HydrophobicContact CD1-CB 3.58Å; I123-L161 HydrophobicContact CD1-CD1 3.79Å; I123-L161 HydrophobicContact CD1-CG 4.26Å; I123-L161 HydrophobicContact CG2-CD1 4.28Å; I123-Q164 PolarHBondContact O-NE2 2.66Å
124	R	97.8	Very high	86.5	Confident	11 Å²	11	35.8 Å²	35.8	4%	0.042	22%	0.22	C	C	.	.			trans	-107	-41.4	179	-170.2	-178	-171.7	-172.7	2.8	111.5	L91 C93 Y102 R122 E276 S363 S366 L367	L91-R124 PolarHBondContact O-N 2.95Å; C93-R124 HydrophobicContact CB-CB 4.05Å; Y102-R124 HydrophobicContact CD1-CB 4.45Å; Y102-R124 HydrophobicContact CD1-CG 4.09Å; Y102-R124 HydrophobicContact CD2-CG 4.47Å; Y102-R124 HydrophobicContact CE1-CB 3.98Å; Y102-R124 HydrophobicContact CE1-CG 3.84Å; Y102-R124 HydrophobicContact CE2-CG 4.25Å; Y102-R124 HydrophobicContact CG-CG 4.4Å; R122-R124 PolarHBondContact O-N 3.38Å; R124-E276 WeakPolarHBondContact CG-OE1 3.13Å; R124-E276 IonicContact CZ-OE1 3.45Å; R124-E276 IonicContact CZ-OE2 3.56Å; R124-E276 IonicContact NE-OE1 3.27Å; R124-E276 PolarHBondContact NE-OE1 3.01Å; R124-E276 IonicContact NE-OE2 2.61Å; R124-E276 PolarHBondContact NE-OE2 3.32Å; R124-E276 IonicContact NH2-OE1 3.69Å; R124-E276 IonicContact NH2-OE2 2.83Å; R124-E276 PolarHBondContact NH2-OE2 3.4Å; R124-S363 PolarHBondContact NH1-O 2.97Å; R124-S363 PolarHBondContact NH2-O 2.99Å; R124-S363 PolarHBondContact NH2-OG 3.45Å; R124-S366 PolarHBondContact NH1-OG 2.73Å; R124-L367 HydrophobicContact CG-CD1 4.18Å
125	Y	97.9	Very high	85.7	Confident	7 Å²	7	32.8 Å²	32.8	3%	0.027	20%	0.199	C	C	.	.			trans	-93.7	116.1	-177.4	-51.5	-83.3	0	0	0	110.5	S90 L91 C93 S366 L367 G370 Y371 L374	S90-Y125 WeakPolarHBondContact O-CD2 2.96Å; S90-Y125 WeakPolarHBondContact O-CE2 3.5Å; L91-Y125 PolarHBondContact O-N 2.84Å; C93-Y125 VanDerWaalsContact SG-CE2 3.56Å; Y125-S366 PolarHBondContact OH-O 3.49Å; Y125-L367 HydrophobicContact CD1-CD1 4.22Å; Y125-L367 HydrophobicContact CE1-CD1 3.95Å; Y125-L367 WeakPolarHBondContact CE1-O 3.44Å; Y125-G370 VanDerWaalsContact CE1-CA 3.46Å; Y125-Y371 AromaticContact CD1-CD1 4Å; Y125-Y371 HydrophobicContact CD1-CD1 4Å; Y125-Y371 AromaticContact CD1-CD2 3.95Å; Y125-Y371 HydrophobicContact CD1-CD2 3.95Å; Y125-Y371 HydrophobicContact CD1-CE1 4.07Å; Y125-Y371 HydrophobicContact CD1-CE2 4.04Å; Y125-Y371 AromaticContact CD1-CG 3.91Å; Y125-Y371 HydrophobicContact CD1-CG 3.91Å; Y125-Y371 HydrophobicContact CE1-CD2 4.39Å; Y125-L374 VanDerWaalsContact CB-CD1 3.41Å; Y125-L374 HydrophobicContact CD1-CD1 4.17Å; Y125-L374 HydrophobicContact CD2-CD1 4.32Å; Y125-L374 HydrophobicContact CG-CD1 3.72Å
126	Y	96.5	Very high	84.7	Confident	6 Å²	6	34.4 Å²	34.4	2%	0.024	21%	0.208	C	C	.	.			trans	-133.1	143.2	-174.3	-176.8	-94	0	0	0	111.9	P128 W130 M153 L161 W165 E267 Y274 Y371	Y126-P128 HydrophobicContact CE1-CB 4.08Å; Y126-W130 AromaticContact CE2-CD1 3.81Å; Y126-W130 AromaticContact CE2-NE1 3.59Å; Y126-W130 AromaticContact CZ-CD1 3.69Å; Y126-W130 AromaticContact CZ-NE1 3.63Å; Y126-W130 VanDerWaalsContact OH-CD1 3.3Å; Y126-W130 PolarHBondContact OH-NE1 3.04Å; Y126-M153 HydrophobicContact CD2-CE 3.48Å; Y126-M153 VanDerWaalsContact CD2-CE 3.48Å; Y126-M153 HydrophobicContact CE2-CE 3.79Å; Y126-L161 HydrophobicContact CD2-CD1 4.37Å; Y126-L161 HydrophobicContact CD2-CD2 4.08Å; Y126-L161 HydrophobicContact CE2-CD2 3.54Å; Y126-W165 HydrophobicContact CD1-CH2 4.4Å; Y126-W165 HydrophobicContact CD1-CZ2 4.34Å; Y126-W165 HydrophobicContact CD2-CH2 4.44Å; Y126-W165 HydrophobicContact CD2-CZ2 4.06Å; Y126-W165 AromaticContact CE1-CH2 3.82Å; Y126-W165 HydrophobicContact CE1-CH2 3.82Å; Y126-W165 HydrophobicContact CE1-CZ2 4.2Å; Y126-W165 AromaticContact CE2-CH2 3.95Å; Y126-W165 HydrophobicContact CE2-CH2 3.95Å; Y126-W165 AromaticContact CE2-CZ2 3.99Å; Y126-W165 HydrophobicContact CE2-CZ2 3.99Å; Y126-W165 HydrophobicContact CG-CZ2 4.25Å; Y126-W165 AromaticContact CZ-CH2 3.58Å; Y126-E267 VanDerWaalsContact CE1-OE2 3.25Å; Y126-E267 WeakPolarHBondContact CE1-OE2 3.21Å; Y126-E267 VanDerWaalsContact CZ-OE2 3.28Å; Y126-E267 PolarHBondContact OH-OE2 3.02Å; Y126-Y274 HydrophobicContact CD1-CD1 4.14Å; Y126-Y274 HydrophobicContact CD1-CD2 4.33Å; Y126-Y274 AromaticContact CD1-CG 3.71Å; Y126-Y274 HydrophobicContact CD1-CG 3.71Å; Y126-Y274 HydrophobicContact CE1-CD1 4.08Å; Y126-Y274 HydrophobicContact CE1-CG 4.12Å; Y126-Y371 PolarHBondContact N-OH 2.85Å; Y126-Y371 PolarHBondContact O-OH 3.34Å
127	F	94.1	Very high	83.8	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	21%	0.208	C	C	.	.			trans	-123	110.8	177.5	-62.9	-86.1	0	0	0	109.8	W130 A139 V152 Y371 L374 V375 V510 R512	F127-W130 VanDerWaalsContact O-CD1 3.24Å; F127-A139 HydrophobicContact CB-CB 3.79Å; F127-V152 HydrophobicContact CD2-CG1 3.86Å; F127-Y371 HydrophobicContact CE1-CD1 4.26Å; F127-Y371 HydrophobicContact CE1-CE1 4.38Å; F127-Y371 AromaticContact CZ-CD1 3.92Å; F127-Y371 HydrophobicContact CZ-CD1 3.92Å; F127-Y371 HydrophobicContact CZ-CE1 4.13Å; F127-L374 HydrophobicContact CE2-CB 4.19Å; F127-L374 HydrophobicContact CE2-CD1 4.13Å; F127-L374 HydrophobicContact CZ-CB 3.88Å; F127-L374 HydrophobicContact CZ-CD1 4.39Å; F127-V375 HydrophobicContact CE1-CG1 3.52Å; F127-V375 HydrophobicContact CZ-CG1 3.67Å; F127-V510 HydrophobicContact CD1-CG1 3.99Å; F127-V510 HydrophobicContact CD2-CB 4.43Å; F127-V510 HydrophobicContact CD2-CG1 4.02Å; F127-V510 HydrophobicContact CD2-CG2 4.16Å; F127-V510 HydrophobicContact CE1-CB 4.37Å; F127-V510 HydrophobicContact CE1-CG1 4.16Å; F127-V510 HydrophobicContact CE2-CB 4.11Å; F127-V510 HydrophobicContact CE2-CG1 4.17Å; F127-V510 HydrophobicContact CE2-CG2 3.79Å; F127-V510 HydrophobicContact CG-CG1 3.9Å; F127-V510 HydrophobicContact CZ-CB 4.07Å; F127-V510 HydrophobicContact CZ-CG1 4.24Å; F127-V510 HydrophobicContact CZ-CG2 4.21Å; F127-R512 HydrophobicContact CD1-CG 4.39Å
128	P	91	Very high	83.5	Confident	12 Å²	12	36.2 Å²	36.2	8%	0.078	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	150.4	-179.4	26.9	-35.5	0	0	0	112.4	Y126 W130 E267 Y274 N295	Y126-P128 HydrophobicContact CE1-CB 4.08Å; P128-W130 VanDerWaalsContact C-N 3.3Å; P128-W130 PolarHBondContact O-N 3.4Å; P128-E267 VanDerWaalsContact CA-OE2 3.24Å; P128-E267 WeakPolarHBondContact CA-OE2 3.43Å; P128-E267 HydrophobicContact CB-CG 4.33Å; P128-E267 WeakPolarHBondContact CB-OE2 3.35Å; P128-Y274 HydrophobicContact CB-CE1 4.42Å; P128-Y274 HydrophobicContact CB-CE2 4.25Å; P128-Y274 HydrophobicContact CG-CD2 4.36Å; P128-Y274 HydrophobicContact CG-CE2 3.88Å; P128-N295 HydrophobicContact CG-CB 3.77Å; P128-N295 WeakPolarHBondContact CG-ND2 3.2Å
129	G	87.3	Confident	83.4	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	14.6	-179.8	0	0	0	0	0	115.5	Y131 N132 E267	G129-Y131 PolarHBondContact O-N 3.48Å; G129-Y131 VanDerWaalsContact O-N 3.08Å; G129-N132 PolarHBondContact O-N 3.22Å; G129-N132 VanDerWaalsContact O-N 3.17Å; G129-E267 PolarHBondContact N-OE1 3.07Å; G129-E267 PolarHBondContact N-OE2 3.38Å
130	W	89.7	Confident	83.2	Confident	23 Å²	23	33.5 Å²	33.5	9%	0.087	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.2	178.6	64.8	-90.5	0	0	0	114.8	Y126 F127 P128 A139 V152 M153 M158 L260	Y126-W130 AromaticContact CE2-CD1 3.81Å; Y126-W130 AromaticContact CE2-NE1 3.59Å; Y126-W130 AromaticContact CZ-CD1 3.69Å; Y126-W130 AromaticContact CZ-NE1 3.63Å; Y126-W130 VanDerWaalsContact OH-CD1 3.3Å; Y126-W130 PolarHBondContact OH-NE1 3.04Å; F127-W130 VanDerWaalsContact O-CD1 3.24Å; P128-W130 VanDerWaalsContact C-N 3.3Å; P128-W130 PolarHBondContact O-N 3.4Å; W130-A139 WeakPolarHBondContact CA-O 3.47Å; W130-V152 HydrophobicContact CB-CB 3.96Å; W130-V152 HydrophobicContact CB-CG2 3.87Å; W130-M153 HydrophobicContact CE3-CB 4.47Å; W130-M153 HydrophobicContact CZ2-SD 4.4Å; W130-M153 HydrophobicContact CZ3-CB 4.39Å; W130-M158 HydrophobicContact CH2-CB 4.19Å; W130-M158 HydrophobicContact CH2-CG 3.79Å; W130-M158 HydrophobicContact CH2-SD 4.3Å; W130-M158 HydrophobicContact CZ2-CG 4.17Å; W130-L260 HydrophobicContact CH2-CD1 3.85Å; W130-L260 HydrophobicContact CZ2-CD1 3.97Å
131	Y	84.9	Confident	82.9	Confident	50 Å²	50	33.3 Å²	33.3	20%	0.196	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.8	-178.4	51.8	-98.9	0	0	0	113.9	G129 L260 M264 E267	G129-Y131 PolarHBondContact O-N 3.48Å; G129-Y131 VanDerWaalsContact O-N 3.08Å; Y131-L260 HydrophobicContact CD1-CD1 4.49Å; Y131-L260 HydrophobicContact CG-CD1 4.29Å; Y131-M264 HydrophobicContact CD1-CG 4.15Å; Y131-M264 HydrophobicContact CD2-CE 3.75Å; Y131-M264 HydrophobicContact CD2-CG 3.86Å; Y131-M264 HydrophobicContact CD2-SD 4.1Å; Y131-M264 HydrophobicContact CE1-CG 3.94Å; Y131-M264 HydrophobicContact CE2-CB 4.45Å; Y131-M264 HydrophobicContact CE2-CE 3.5Å; Y131-M264 VanDerWaalsContact CE2-CE 3.5Å; Y131-M264 HydrophobicContact CE2-CG 3.63Å; Y131-M264 HydrophobicContact CE2-SD 4.17Å; Y131-M264 HydrophobicContact CG-CG 4.12Å; Y131-E267 PolarHBondContact OH-OE1 3.44Å
132	N	76.6	Confident	82.6	Confident	47 Å²	47	35.4 Å²	35.4	25%	0.251	20%	0.199	S	C	.	.			trans	-89.8	149.4	-178.2	-69	-42.2	0	0	0	110.8	G129 S135 Y138	G129-N132 PolarHBondContact O-N 3.22Å; G129-N132 VanDerWaalsContact O-N 3.17Å; N132-S135 WeakPolarHBondContact CB-OG 3.44Å; N132-S135 PolarHBondContact ND2-OG 3.44Å; N132-Y138 WeakPolarHBondContact O-CD2 3.39Å; N132-Y138 WeakPolarHBondContact O-CE2 3.36Å
133	S	60.6	Low	82.1	Confident	109 Å²	109	35.5 Å²	35.5	76%	0.762	21%	0.205	S	C	*	.	S	Bend	trans	-115.7	-5.7	171.5	54.9	0	0	0	0	113.9
134	S	54	Low	81.2	Confident	117 Å²	117	38.8 Å²	38.8	82%	0.818	22%	0.222	S	C	*	.	S	Bend	trans	-137.8	6.7	-167.9	64.6	0	0	0	0	115.1
135	S	52.3	Low	80.2	Confident	41 Å²	41	40.9 Å²	40.9	29%	0.287	24%	0.238	S	C	.	.	S	Bend	trans	-98.2	165	-177.3	78.4	0	0	0	0	112.5	N132 F137	N132-S135 WeakPolarHBondContact CB-OG 3.44Å; N132-S135 PolarHBondContact ND2-OG 3.44Å; S135-F137 PolarHBondContact O-N 3.14Å; S135-F137 PolarHBondContact OG-N 3.14Å; S135-F137 PolarHBondContact OG-O 2.99Å; S135-F137 VanDerWaalsContact OG-O 3.07Å
136	S	51.5	Low	78.9	Confident	80 Å²	80	46.5 Å²	46.5	56%	0.559	26%	0.263	S	S	*	.	S	Bend	trans	-65.3	-12.7	174.2	53.1	0	0	0	0	113.9
137	F	61.7	Low	77.6	Confident	107 Å²	107	55.2 Å²	55.2	47%	0.469	30%	0.304	S	S	.	.	S	Bend	trans	-124.3	86.6	179	-60	-73.9	0	0	0	109.1	S135	S135-F137 PolarHBondContact O-N 3.14Å; S135-F137 PolarHBondContact OG-N 3.14Å; S135-F137 PolarHBondContact OG-O 2.99Å; S135-F137 VanDerWaalsContact OG-O 3.07Å
138	Y	80.7	Confident	76.8	Confident	49 Å²	49	59.9 Å²	59.9	19%	0.192	33%	0.327	C	S	.	.			trans	-117.4	130.4	177.1	175.4	-135.3	0	0	0	109.5	N132 H140 E149 N513	N132-Y138 WeakPolarHBondContact O-CD2 3.39Å; N132-Y138 WeakPolarHBondContact O-CE2 3.36Å; Y138-H140 AromaticContact CD1-ND1 3.35Å; Y138-H140 WeakPolarHBondContact CD1-ND1 3.32Å; Y138-H140 HydrophobicContact CE1-CB 4.01Å; Y138-H140 AromaticContact CE1-CE1 3.77Å; Y138-H140 AromaticContact CE1-CG 3.71Å; Y138-H140 AromaticContact CE1-ND1 3.01Å; Y138-H140 WeakPolarHBondContact CE1-ND1 3.36Å; Y138-H140 HydrophobicContact CE2-CB 3.99Å; Y138-H140 AromaticContact CZ-CG 3.83Å; Y138-H140 AromaticContact CZ-ND1 3.58Å; Y138-E149 WeakPolarHBondContact CE1-OE2 3.16Å; Y138-N513 PolarHBondContact O-N 2.84Å
139	A	89.4	Confident	76.4	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131	173.5	0	0	0	0	0	109.6	F127 W130 V152 V510 C511	F127-A139 HydrophobicContact CB-CB 3.79Å; W130-A139 WeakPolarHBondContact CA-O 3.47Å; A139-V152 HydrophobicContact CB-CG2 4.1Å; A139-V152 WeakPolarHBondContact O-CG2 3.32Å; A139-V510 HydrophobicContact CB-CG1 4.18Å; A139-C511 WeakPolarHBondContact CA-O 3.48Å
140	H	90.7	Very high	76.2	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.032	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.8	-179.5	61.2	-92.1	0	0	0	110.2	Y138 E149 V510 C511	Y138-H140 AromaticContact CD1-ND1 3.35Å; Y138-H140 WeakPolarHBondContact CD1-ND1 3.32Å; Y138-H140 HydrophobicContact CE1-CB 4.01Å; Y138-H140 AromaticContact CE1-CE1 3.77Å; Y138-H140 AromaticContact CE1-CG 3.71Å; Y138-H140 AromaticContact CE1-ND1 3.01Å; Y138-H140 WeakPolarHBondContact CE1-ND1 3.36Å; Y138-H140 HydrophobicContact CE2-CB 3.99Å; Y138-H140 AromaticContact CZ-CG 3.83Å; Y138-H140 AromaticContact CZ-ND1 3.58Å; H140-E149 VanDerWaalsContact CD2-CD 3.44Å; H140-E149 IonicContact CD2-OE2 2.81Å; H140-E149 IonicContact CE1-OE1 3.48Å; H140-E149 IonicContact CE1-OE2 2.82Å; H140-E149 PolarHBondContact CE1-OE2 2.78Å; H140-E149 IonicContact CG-OE2 3.55Å; H140-E149 IonicContact ND1-OE2 3Å; H140-E149 VanDerWaalsContact NE2-CD 3.29Å; H140-E149 IonicContact NE2-OE1 3.94Å; H140-E149 PolarHBondContact NE2-OE1 3.03Å; H140-E149 IonicContact NE2-OE2 3.55Å; H140-V510 CarbonylContact O-C 3.59Å; H140-V510 VanDerWaalsContact O-CA 3.32Å; H140-V510 WeakPolarHBondContact O-CA 3.34Å; H140-C511 PolarHBondContact N-O 3.08Å; H140-C511 VanDerWaalsContact NE2-CB 3.33Å; H140-C511 WeakPolarHBondContact NE2-CB 3.22Å; H140-C511 PolarHBondContact O-N 2.93Å
141	R	92	Very high	76.1	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.2	170.6	-74.8	170	178.5	-71.8	-1.1	110	G143 S150 P151 V152 N507 L508 L509 V510	R141-G143 PolarHBondContact O-N 3.18Å; R141-S150 VanDerWaalsContact CB-OG 3.32Å; R141-S150 WeakPolarHBondContact CB-OG 3.37Å; R141-S150 PolarHBondContact N-O 3.32Å; R141-S150 PolarHBondContact O-N 3.34Å; R141-P151 WeakPolarHBondContact CD-O 3.39Å; R141-V152 PolarHBondContact NE-O 3.26Å; R141-V152 PolarHBondContact NH2-O 3.36Å; R141-N507 VanDerWaalsContact CD-O 3.23Å; R141-N507 WeakPolarHBondContact CD-O 3.34Å; R141-N507 WeakPolarHBondContact CG-O 3.48Å; R141-N507 PolarHBondContact NH1-O 3.2Å; R141-L508 PolarHBondContact NH1-O 3.31Å; R141-L509 VanDerWaalsContact CA-O 3.28Å; R141-L509 WeakPolarHBondContact CA-O 3.48Å; R141-V510 HydrophobicContact CG-CG2 4.21Å
142	Y	89.9	Confident	76.5	Confident	43 Å²	43	63.3 Å²	63.3	17%	0.169	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-57.8	134.3	-177.2	-74.8	-93	0	0	0	111.8	F407 K505 L509 C511	Y142-F407 WeakPolarHBondContact O-CE2 3.47Å; Y142-F407 VanDerWaalsContact O-CZ 3.29Å; Y142-F407 WeakPolarHBondContact O-CZ 3.41Å; Y142-K505 HydrophobicContact CD1-CB 4.05Å; Y142-K505 HydrophobicContact CD1-CD 4.34Å; Y142-K505 HydrophobicContact CD1-CG 4.24Å; Y142-K505 HydrophobicContact CD2-CD 4.43Å; Y142-K505 HydrophobicContact CE1-CB 4.44Å; Y142-K505 HydrophobicContact CE1-CD 3.9Å; Y142-K505 HydrophobicContact CE1-CG 4.12Å; Y142-K505 HydrophobicContact CE2-CD 4.03Å; Y142-K505 HydrophobicContact CG-CB 4.13Å; Y142-K505 PolarHBondContact OH-NZ 3.44Å; Y142-L509 HydrophobicContact CD2-CB 3.62Å; Y142-L509 WeakPolarHBondContact CD2-O 3.31Å; Y142-L509 HydrophobicContact CE2-CB 3.84Å; Y142-L509 PolarHBondContact N-O 2.83Å; Y142-C511 HydrophobicContact CD2-CB 4.25Å; Y142-C511 HydrophobicContact CE1-CB 4.16Å; Y142-C511 HydrophobicContact CE2-CB 3.81Å
143	G	86.9	Confident	77.2	Confident	18 Å²	18	61.2 Å²	61.2	19%	0.186	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-102	168.9	164.3	0	0	0	0	0	111.7	R141 S145 M148	R141-G143 PolarHBondContact O-N 3.18Å; G143-S145 VanDerWaalsContact C-N 3.25Å; G143-M148 VanDerWaalsContact CA-O 3.26Å; G143-M148 WeakPolarHBondContact CA-O 3.48Å
144	L	80.4	Confident	78.7	Confident	78 Å²	78	57.9 Å²	57.9	41%	0.408	32%	0.316	S	S	.	.	S	Bend	trans	-69.5	-28.7	170	-73.7	-179.6	0	0	0	112.3	M148 E406 F407	L144-M148 HydrophobicContact CB-SD 4.27Å; L144-E406 HydrophobicContact CD1-CB 3.67Å; L144-E406 HydrophobicContact CG-CB 4.45Å; L144-F407 HydrophobicContact CD2-CD1 3.64Å; L144-F407 HydrophobicContact CD2-CE1 3.68Å; L144-F407 HydrophobicContact CD2-CG 4.27Å; L144-F407 HydrophobicContact CD2-CZ 4.33Å; L144-F407 HydrophobicContact CG-CD1 4.4Å; L144-F407 HydrophobicContact CG-CE1 4.29Å; L144-F407 HydrophobicContact CG-CZ 4.48Å
145	S	76.3	Confident	80.5	Confident	54 Å²	54	58 Å²	58	38%	0.378	31%	0.307	S	S	.	.	S	Bend	trans	-134.6	165.8	170	66.3	0	0	0	0	108.5	G143 E147 M148 E149	G143-S145 VanDerWaalsContact C-N 3.25Å; S145-E147 PolarHBondContact O-N 3.46Å; S145-M148 CarbonylContact O-C 3.51Å; S145-M148 WeakPolarHBondContact O-CA 3.28Å; S145-M148 PolarHBondContact O-N 2.89Å; S145-M148 WeakPolarHBondContact OG-CG 3.4Å; S145-E149 PolarHBondContact O-N 2.9Å
146	K	69.5	Low	82.5	Confident	126 Å²	126	58.6 Å²	58.6	55%	0.548	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-57.5	-32.9	177.8	-166.1	169.8	-174	167.6	0	112.8	M148 E149 E1124	K146-M148 PolarHBondContact O-N 2.82Å; K146-E149 WeakPolarHBondContact O-CG 3.48Å; K146-E149 PolarHBondContact O-N 3.27Å; K146-E1124 IonicContact NZ-OE1 2.58Å; K146-E1124 PolarHBondContact NZ-OE1 2.64Å; K146-E1124 IonicContact NZ-OE2 3.08Å; K146-E1124 PolarHBondContact NZ-OE2 3.14Å
147	E	70.7	Confident	84.6	Confident	188 Å²	188	54.8 Å²	54.8	88%	0.879	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.3	-19	176.6	-62.5	171	-179.4	0	0	113	S145	S145-E147 PolarHBondContact O-N 3.46Å
148	M	76.3	Confident	86.2	Confident	100 Å²	100	50.2 Å²	50.2	49%	0.493	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-102.4	12.2	179.6	-61.4	-173.5	82.7	0	0	112.7	G143 L144 S145 K146 E406	G143-M148 VanDerWaalsContact CA-O 3.26Å; G143-M148 WeakPolarHBondContact CA-O 3.48Å; L144-M148 HydrophobicContact CB-SD 4.27Å; S145-M148 CarbonylContact O-C 3.51Å; S145-M148 WeakPolarHBondContact O-CA 3.28Å; S145-M148 PolarHBondContact O-N 2.89Å; S145-M148 WeakPolarHBondContact OG-CG 3.4Å; K146-M148 PolarHBondContact O-N 2.82Å; M148-E406 HydrophobicContact CE-CG 4.16Å
149	E	82.8	Confident	86.9	Confident	59 Å²	59	48.4 Å²	48.4	28%	0.276	26%	0.26	S	S	.	.			trans	-61.1	138.9	171.1	-71	173.9	-169.9	0	0	109.8	Y138 H140 S145 K146	Y138-E149 WeakPolarHBondContact CE1-OE2 3.16Å; H140-E149 VanDerWaalsContact CD2-CD 3.44Å; H140-E149 IonicContact CD2-OE2 2.81Å; H140-E149 IonicContact CE1-OE1 3.48Å; H140-E149 IonicContact CE1-OE2 2.82Å; H140-E149 PolarHBondContact CE1-OE2 2.78Å; H140-E149 IonicContact CG-OE2 3.55Å; H140-E149 IonicContact ND1-OE2 3Å; H140-E149 VanDerWaalsContact NE2-CD 3.29Å; H140-E149 IonicContact NE2-OE1 3.94Å; H140-E149 PolarHBondContact NE2-OE1 3.03Å; H140-E149 IonicContact NE2-OE2 3.55Å; S145-E149 PolarHBondContact O-N 2.9Å; K146-E149 WeakPolarHBondContact O-CG 3.48Å; K146-E149 PolarHBondContact O-N 3.27Å
150	S	84.1	Confident	87.3	Confident	34 Å²	34	48.3 Å²	48.3	24%	0.238	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-116.1	149.9	-178.4	53.1	0	0	0	0	110.9	R141	R141-S150 VanDerWaalsContact CB-OG 3.32Å; R141-S150 WeakPolarHBondContact CB-OG 3.37Å; R141-S150 PolarHBondContact N-O 3.32Å; R141-S150 PolarHBondContact O-N 3.34Å
151	P	87.7	Confident	87.6	Confident	67 Å²	67	48 Å²	48	44%	0.435	26%	0.257	S	S	.	.			trans	-63.9	150.8	178.4	28	-35.1	0	0	0	110.5	R141 M153	R141-P151 WeakPolarHBondContact CD-O 3.39Å; P151-M153 WeakPolarHBondContact CB-O 3.12Å; P151-M153 WeakPolarHBondContact CG-O 3.33Å; P151-M153 PolarHBondContact O-N 3.12Å
152	V	91.4	Very high	87.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-58.9	-33.2	178.5	179	0	0	0	0	111.6	Y88 F127 W130 A139 R141 V510	Y88-V152 WeakPolarHBondContact CD1-O 3.46Å; Y88-V152 WeakPolarHBondContact CE1-O 3.36Å; F127-V152 HydrophobicContact CD2-CG1 3.86Å; W130-V152 HydrophobicContact CB-CB 3.96Å; W130-V152 HydrophobicContact CB-CG2 3.87Å; A139-V152 HydrophobicContact CB-CG2 4.1Å; A139-V152 WeakPolarHBondContact O-CG2 3.32Å; R141-V152 PolarHBondContact NE-O 3.26Å; R141-V152 PolarHBondContact NH2-O 3.36Å; V152-V510 HydrophobicContact CG1-CG2 4.19Å; V152-V510 HydrophobicContact CG2-CG1 3.91Å; V152-V510 HydrophobicContact CG2-CG2 4.47Å
153	M	92.6	Very high	88.1	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.015	26%	0.258	C	S	.	.	S	Bend	trans	-127	146.8	-177	-59	-175.9	178.6	0	0	110.5	L91 I123 Y126 W130 P151 V157 L161	L91-M153 HydrophobicContact CD1-CG 4.23Å; I123-M153 HydrophobicContact CG2-CE 4.49Å; Y126-M153 HydrophobicContact CD2-CE 3.48Å; Y126-M153 VanDerWaalsContact CD2-CE 3.48Å; Y126-M153 HydrophobicContact CE2-CE 3.79Å; W130-M153 HydrophobicContact CE3-CB 4.47Å; W130-M153 HydrophobicContact CZ2-SD 4.4Å; W130-M153 HydrophobicContact CZ3-CB 4.39Å; P151-M153 WeakPolarHBondContact CB-O 3.12Å; P151-M153 WeakPolarHBondContact CG-O 3.33Å; P151-M153 PolarHBondContact O-N 3.12Å; M153-V157 HydrophobicContact CB-CB 4.12Å; M153-V157 HydrophobicContact CB-CG1 3.91Å; M153-V157 HydrophobicContact CG-CG1 3.77Å; M153-V157 HydrophobicContact SD-CG1 3.85Å; M153-L161 HydrophobicContact CE-CD2 4.22Å; M153-L161 HydrophobicContact SD-CD2 3.89Å
154	D	92.1	Very high	88.5	Confident	39 Å²	39	46.5 Å²	46.5	21%	0.209	25%	0.25	C	S	.	.			trans	-90.8	-179.7	166.7	68.3	7.4	0	0	0	111.5	Y88 C156 V157 M158	Y88-D154 HydrophobicContact CD2-CB 4.28Å; Y88-D154 VanDerWaalsContact CD2-OD2 3.3Å; Y88-D154 WeakPolarHBondContact CD2-OD2 3.32Å; Y88-D154 HydrophobicContact CE2-CB 3.62Å; Y88-D154 VanDerWaalsContact CE2-CG 3.43Å; Y88-D154 WeakPolarHBondContact CE2-OD2 3.24Å; D154-C156 VanDerWaalsContact C-N 3.3Å; D154-C156 PolarHBondContact O-N 2.82Å; D154-C156 PolarHBondContact OD1-N 3.08Å; D154-V157 PolarHBondContact O-N 2.79Å; D154-V157 WeakPolarHBondContact OD1-CB 3.42Å; D154-V157 WeakPolarHBondContact OD1-CG2 3.41Å; D154-V157 PolarHBondContact OD1-N 2.79Å; D154-M158 WeakPolarHBondContact O-CB 3.5Å; D154-M158 PolarHBondContact O-N 3.33Å
155	D	91.9	Very high	89.3	Confident	121 Å²	121	43.1 Å²	43.1	65%	0.647	23%	0.232	S	C	*	.	H	α-helix	trans	-62.2	-36.6	-178.5	-67.1	-29.3	0	0	0	112.8	M158 A159	D155-M158 PolarHBondContact O-N 2.83Å; D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 2.96Å
156	C	93.4	Very high	90.2	Very high	52 Å²	52	43.5 Å²	43.5	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-47.4	178.5	-70.9	0	0	0	0	110.9	D154 A159 Y160	D154-C156 VanDerWaalsContact C-N 3.3Å; D154-C156 PolarHBondContact O-N 2.82Å; D154-C156 PolarHBondContact OD1-N 3.08Å; C156-A159 PolarHBondContact O-N 3Å; C156-Y160 PolarHBondContact O-N 2.94Å
157	V	96.3	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-40	177.7	177	0	0	0	0	110.9	I84 Y88 L91 F92 I123 M153 D154 A159 Y160 L161	I84-V157 HydrophobicContact CG1-CG2 4.4Å; I84-V157 HydrophobicContact CG2-CG2 4.15Å; Y88-V157 HydrophobicContact CD2-CG2 4.29Å; Y88-V157 HydrophobicContact CG-CG2 3.98Å; L91-V157 HydrophobicContact CD1-CG1 4.22Å; F92-V157 HydrophobicContact CE2-CG1 4.18Å; F92-V157 HydrophobicContact CE2-CG2 4.1Å; F92-V157 HydrophobicContact CZ-CG1 4.21Å; F92-V157 HydrophobicContact CZ-CG2 4.35Å; I123-V157 HydrophobicContact CD1-CG1 3.83Å; M153-V157 HydrophobicContact CB-CB 4.12Å; M153-V157 HydrophobicContact CB-CG1 3.91Å; M153-V157 HydrophobicContact CG-CG1 3.77Å; M153-V157 HydrophobicContact SD-CG1 3.85Å; D154-V157 PolarHBondContact O-N 2.79Å; D154-V157 WeakPolarHBondContact OD1-CB 3.42Å; D154-V157 WeakPolarHBondContact OD1-CG2 3.41Å; D154-V157 PolarHBondContact OD1-N 2.79Å; V157-A159 PolarHBondContact O-N 3.25Å; V157-Y160 PolarHBondContact O-N 3.39Å; V157-L161 WeakPolarHBondContact O-CB 3.12Å; V157-L161 PolarHBondContact O-N 2.84Å
158	M	95.9	Very high	92.4	Very high	11 Å²	11	30.3 Å²	30.3	5%	0.054	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42.2	175.1	-174.9	-152.4	64.5	0	0	111.7	W130 D154 D155 Y160 L161 F162 C256 K259 L260 L263	W130-M158 HydrophobicContact CH2-CB 4.19Å; W130-M158 HydrophobicContact CH2-CG 3.79Å; W130-M158 HydrophobicContact CH2-SD 4.3Å; W130-M158 HydrophobicContact CZ2-CG 4.17Å; D154-M158 WeakPolarHBondContact O-CB 3.5Å; D154-M158 PolarHBondContact O-N 3.33Å; D155-M158 PolarHBondContact O-N 2.83Å; M158-Y160 VanDerWaalsContact C-N 3.33Å; M158-Y160 PolarHBondContact O-N 3.25Å; M158-L161 PolarHBondContact O-N 2.83Å; M158-F162 WeakPolarHBondContact O-CB 3.26Å; M158-F162 PolarHBondContact O-N 3.36Å; M158-C256 VanDerWaalsContact CE-SG 3.58Å; M158-K259 HydrophobicContact CE-CB 4.26Å; M158-L260 HydrophobicContact SD-CB 4.15Å; M158-L260 HydrophobicContact SD-CD1 4.41Å; M158-L263 HydrophobicContact CG-CD1 3.77Å
159	A	95.1	Very high	93.2	Very high	12 Å²	12	25.6 Å²	25.6	10%	0.099	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-40.8	177.1	0	0	0	0	0	111.8	D155 C156 V157 F162 A163	D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 2.96Å; C156-A159 PolarHBondContact O-N 3Å; V157-A159 PolarHBondContact O-N 3.25Å; A159-F162 PolarHBondContact O-N 3.27Å; A159-A163 PolarHBondContact O-N 3.41Å; A159-A163 VanDerWaalsContact O-N 3.16Å
160	Y	97.1	Very high	93.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-46.5	174.1	-160.3	-79.3	0	0	0	111.9	Y46 H47 C82 F92 F121 I123 C156 V157 M158 F162 A163 Q164	Y46-Y160 AromaticContact CD2-CE1 3.85Å; Y46-Y160 HydrophobicContact CD2-CE1 3.85Å; Y46-Y160 AromaticContact CD2-CZ 3.93Å; Y46-Y160 HydrophobicContact CG-CE1 4.39Å; Y46-Y160 PolarHBondContact N-OH 3.35Å; Y46-Y160 VanDerWaalsContact N-OH 3.08Å; H47-Y160 HydrophobicContact CB-CD2 3.86Å; H47-Y160 HydrophobicContact CB-CE2 4.44Å; H47-Y160 HydrophobicContact CB-CG 4.43Å; C82-Y160 HydrophobicContact CB-CD2 4.25Å; C82-Y160 HydrophobicContact CB-CE2 4.36Å; C82-Y160 VanDerWaalsContact SG-CE2 3.52Å; F92-Y160 HydrophobicContact CD1-CE1 4.43Å; F92-Y160 AromaticContact CE1-CD1 3.59Å; F92-Y160 HydrophobicContact CE1-CD1 3.59Å; F92-Y160 HydrophobicContact CE1-CD2 4.49Å; F92-Y160 AromaticContact CE1-CE1 3.83Å; F92-Y160 HydrophobicContact CE1-CE1 3.83Å; F92-Y160 AromaticContact CE1-CG 3.95Å; F92-Y160 HydrophobicContact CE1-CG 3.95Å; F92-Y160 HydrophobicContact CZ-CD1 4.3Å; F92-Y160 HydrophobicContact CZ-CG 4.37Å; F121-Y160 HydrophobicContact CD1-CE1 4.4Å; F121-Y160 AromaticContact CD1-CE2 3.99Å; F121-Y160 HydrophobicContact CD1-CE2 3.99Å; F121-Y160 AromaticContact CD1-CZ 3.64Å; F121-Y160 VanDerWaalsContact CD1-OH 3.26Å; F121-Y160 WeakPolarHBondContact CD1-OH 3.49Å; F121-Y160 HydrophobicContact CE1-CE2 4.31Å; F121-Y160 WeakPolarHBondContact O-CE1 3.34Å; F121-Y160 PolarHBondContact O-OH 3.17Å; I123-Y160 HydrophobicContact CD1-CD1 4.28Å; I123-Y160 HydrophobicContact CG1-CD1 4.29Å; C156-Y160 PolarHBondContact O-N 2.94Å; V157-Y160 PolarHBondContact O-N 3.39Å; M158-Y160 VanDerWaalsContact C-N 3.33Å; M158-Y160 PolarHBondContact O-N 3.25Å; Y160-F162 VanDerWaalsContact C-N 3.31Å; Y160-F162 PolarHBondContact O-N 3.23Å; Y160-A163 PolarHBondContact O-N 3.16Å; Y160-A163 VanDerWaalsContact O-N 3.16Å; Y160-Q164 WeakPolarHBondContact O-CB 3.46Å; Y160-Q164 PolarHBondContact O-N 3.35Å
161	L	97	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.3	-45.4	177.2	-174.9	66.9	0	0	0	111.5	I123 Y126 M153 V157 M158 A163 Q164 W165 L263	I123-L161 HydrophobicContact CB-CD1 4.3Å; I123-L161 HydrophobicContact CD1-CB 3.58Å; I123-L161 HydrophobicContact CD1-CD1 3.79Å; I123-L161 HydrophobicContact CD1-CG 4.26Å; I123-L161 HydrophobicContact CG2-CD1 4.28Å; Y126-L161 HydrophobicContact CD2-CD1 4.37Å; Y126-L161 HydrophobicContact CD2-CD2 4.08Å; Y126-L161 HydrophobicContact CE2-CD2 3.54Å; M153-L161 HydrophobicContact CE-CD2 4.22Å; M153-L161 HydrophobicContact SD-CD2 3.89Å; V157-L161 WeakPolarHBondContact O-CB 3.12Å; V157-L161 PolarHBondContact O-N 2.84Å; M158-L161 PolarHBondContact O-N 2.83Å; L161-A163 PolarHBondContact O-N 3.23Å; L161-Q164 PolarHBondContact O-N 3.45Å; L161-W165 HydrophobicContact CD1-CD2 4.11Å; L161-W165 HydrophobicContact CD1-CG 4.19Å; L161-W165 HydrophobicContact CD1-CZ2 4.1Å; L161-W165 HydrophobicContact CG-CD2 4.3Å; L161-W165 HydrophobicContact CG-CG 4.45Å; L161-W165 WeakPolarHBondContact O-CB 3.36Å; L161-W165 PolarHBondContact O-N 2.86Å; L161-L263 HydrophobicContact CD2-CD1 4.05Å; L161-L263 HydrophobicContact CD2-CD2 4.03Å; L161-L263 HydrophobicContact CG-CD1 4.39Å; L161-L263 HydrophobicContact CG-CD2 3.86Å
162	F	96.8	Very high	93.8	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-49.7	175.7	170.1	-93.6	0	0	0	111.4	M158 A159 Y160 R166 K259 Y262 L263	M158-F162 WeakPolarHBondContact O-CB 3.26Å; M158-F162 PolarHBondContact O-N 3.36Å; A159-F162 PolarHBondContact O-N 3.27Å; Y160-F162 VanDerWaalsContact C-N 3.31Å; Y160-F162 PolarHBondContact O-N 3.23Å; F162-R166 WeakPolarHBondContact O-CB 3.32Å; F162-R166 PolarHBondContact O-N 3.36Å; F162-K259 HydrophobicContact CB-CB 4.26Å; F162-K259 HydrophobicContact CB-CD 4.27Å; F162-K259 HydrophobicContact CB-CG 4.32Å; F162-K259 HydrophobicContact CD1-CD 3.85Å; F162-K259 HydrophobicContact CD1-CG 3.86Å; F162-K259 HydrophobicContact CD2-CB 3.83Å; F162-K259 HydrophobicContact CD2-CG 3.78Å; F162-K259 HydrophobicContact CE1-CD 4.39Å; F162-K259 HydrophobicContact CE1-CG 4.14Å; F162-K259 HydrophobicContact CE2-CB 4.4Å; F162-K259 HydrophobicContact CE2-CG 4.05Å; F162-K259 HydrophobicContact CG-CB 3.96Å; F162-K259 HydrophobicContact CG-CD 3.94Å; F162-K259 HydrophobicContact CG-CG 3.69Å; F162-K259 HydrophobicContact CZ-CG 4.24Å; F162-Y262 AromaticContact CD2-CD1 3.89Å; F162-Y262 HydrophobicContact CD2-CD1 3.89Å; F162-Y262 HydrophobicContact CD2-CG 4.19Å; F162-Y262 AromaticContact CE2-CD1 3.66Å; F162-Y262 HydrophobicContact CE2-CD1 3.66Å; F162-Y262 HydrophobicContact CE2-CD2 4.19Å; F162-Y262 HydrophobicContact CE2-CE1 4.21Å; F162-Y262 AromaticContact CE2-CG 3.66Å; F162-Y262 HydrophobicContact CE2-CG 3.66Å; F162-L263 HydrophobicContact CB-CD1 4.29Å; F162-L263 HydrophobicContact CB-CD2 4.46Å; F162-L263 HydrophobicContact CB-CG 4.39Å
163	A	96.2	Very high	93.6	Very high	21 Å²	21	27 Å²	27	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-42.3	-178.7	0	0	0	0	0	112.3	Y46 H47 A159 Y160 L161 S167	Y46-A163 WeakPolarHBondContact O-CB 3.31Å; H47-A163 HydrophobicContact CB-CB 4.13Å; A159-A163 PolarHBondContact O-N 3.41Å; A159-A163 VanDerWaalsContact O-N 3.16Å; Y160-A163 PolarHBondContact O-N 3.16Å; Y160-A163 VanDerWaalsContact O-N 3.16Å; L161-A163 PolarHBondContact O-N 3.23Å; A163-S167 WeakPolarHBondContact O-CB 3.12Å; A163-S167 PolarHBondContact O-N 2.95Å
164	Q	95.8	Very high	93.2	Very high	3 Å²	3	28 Å²	28	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-57.6	175.7	-178.3	-178.5	-49.4	0	0	111.5	Y46 R122 I123 Y160 L161 R166 S167 D168	Y46-Q164 HydrophobicContact CD1-CB 4.3Å; Y46-Q164 HydrophobicContact CD2-CB 4.16Å; Y46-Q164 HydrophobicContact CD2-CG 4.24Å; Y46-Q164 HydrophobicContact CE2-CG 4.25Å; Y46-Q164 HydrophobicContact CG-CB 4Å; Y46-Q164 HydrophobicContact CG-CG 4.46Å; R122-Q164 VanDerWaalsContact CA-OE1 3.27Å; I123-Q164 PolarHBondContact O-NE2 2.66Å; Y160-Q164 WeakPolarHBondContact O-CB 3.46Å; Y160-Q164 PolarHBondContact O-N 3.35Å; L161-Q164 PolarHBondContact O-N 3.45Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-R166 PolarHBondContact O-N 2.9Å; Q164-S167 WeakPolarHBondContact O-CB 3.4Å; Q164-S167 PolarHBondContact O-N 2.98Å; Q164-S167 VanDerWaalsContact O-N 3.13Å; Q164-D168 VanDerWaalsContact O-CG 3.24Å; Q164-D168 PolarHBondContact O-N 3.25Å
165	W	96.1	Very high	92.9	Very high	8 Å²	8	33.2 Å²	33.2	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-37.6	-176.5	-81.7	19.1	0	0	0	112.8	Y126 L161 S167 D168 F169 L263 L266 E267 V273 Y274	Y126-W165 HydrophobicContact CD1-CH2 4.4Å; Y126-W165 HydrophobicContact CD1-CZ2 4.34Å; Y126-W165 HydrophobicContact CD2-CH2 4.44Å; Y126-W165 HydrophobicContact CD2-CZ2 4.06Å; Y126-W165 AromaticContact CE1-CH2 3.82Å; Y126-W165 HydrophobicContact CE1-CH2 3.82Å; Y126-W165 HydrophobicContact CE1-CZ2 4.2Å; Y126-W165 AromaticContact CE2-CH2 3.95Å; Y126-W165 HydrophobicContact CE2-CH2 3.95Å; Y126-W165 AromaticContact CE2-CZ2 3.99Å; Y126-W165 HydrophobicContact CE2-CZ2 3.99Å; Y126-W165 HydrophobicContact CG-CZ2 4.25Å; Y126-W165 AromaticContact CZ-CH2 3.58Å; L161-W165 HydrophobicContact CD1-CD2 4.11Å; L161-W165 HydrophobicContact CD1-CG 4.19Å; L161-W165 HydrophobicContact CD1-CZ2 4.1Å; L161-W165 HydrophobicContact CG-CD2 4.3Å; L161-W165 HydrophobicContact CG-CG 4.45Å; L161-W165 WeakPolarHBondContact O-CB 3.36Å; L161-W165 PolarHBondContact O-N 2.86Å; W165-S167 VanDerWaalsContact C-N 3.35Å; W165-D168 PolarHBondContact O-N 3.21Å; W165-F169 WeakPolarHBondContact O-CB 3.36Å; W165-F169 PolarHBondContact O-N 2.9Å; W165-L263 HydrophobicContact CB-CD2 4.27Å; W165-L263 HydrophobicContact CD2-CD2 3.99Å; W165-L263 HydrophobicContact CE3-CD2 3.49Å; W165-L263 VanDerWaalsContact CE3-CD2 3.49Å; W165-L263 HydrophobicContact CG-CD2 4.33Å; W165-L263 HydrophobicContact CZ3-CD2 4.16Å; W165-L266 HydrophobicContact CB-CD2 3.7Å; W165-L266 HydrophobicContact CD2-CD2 4.13Å; W165-L266 HydrophobicContact CE3-CB 4.16Å; W165-L266 HydrophobicContact CE3-CD2 3.7Å; W165-L266 HydrophobicContact CE3-CG 4.3Å; W165-L266 HydrophobicContact CG-CD2 4.19Å; W165-L266 HydrophobicContact CZ3-CB 4.46Å; W165-E267 HydrophobicContact CH2-CB 4.43Å; W165-E267 HydrophobicContact CZ3-CB 4.17Å; W165-V273 HydrophobicContact CD2-CG1 4.34Å; W165-V273 HydrophobicContact CD2-CG2 3.96Å; W165-V273 HydrophobicContact CE3-CG1 4.29Å; W165-V273 HydrophobicContact CG-CG2 4.19Å; W165-V273 HydrophobicContact CH2-CG1 3.52Å; W165-V273 HydrophobicContact CZ2-CG1 3.58Å; W165-V273 HydrophobicContact CZ2-CG2 4.23Å; W165-V273 HydrophobicContact CZ3-CG1 3.89Å; W165-Y274 HydrophobicContact CH2-CD1 4.48Å
166	R	95.6	Very high	92.6	Very high	61 Å²	61	27.8 Å²	27.8	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-45.7	172.5	-179.7	-169.6	-178.5	-80.8	-12.7	111	F162 Q164 F169 L170 D193 Y262	F162-R166 WeakPolarHBondContact O-CB 3.32Å; F162-R166 PolarHBondContact O-N 3.36Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-R166 PolarHBondContact O-N 2.9Å; R166-F169 PolarHBondContact O-N 3.27Å; R166-L170 HydrophobicContact CG-CD1 3.92Å; R166-L170 HydrophobicContact CG-CG 4.36Å; R166-L170 VanDerWaalsContact CZ-CD1 3.48Å; R166-L170 WeakPolarHBondContact O-CB 3.17Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.3Å; R166-L170 PolarHBondContact O-N 3.47Å; R166-D193 IonicContact CZ-OD1 2.66Å; R166-D193 IonicContact CZ-OD2 2.6Å; R166-D193 VanDerWaalsContact NE-CG 3.25Å; R166-D193 IonicContact NE-OD1 3.68Å; R166-D193 PolarHBondContact NE-OD1 3.16Å; R166-D193 VanDerWaalsContact NE-OD1 3.13Å; R166-D193 IonicContact NE-OD2 3.25Å; R166-D193 PolarHBondContact NE-OD2 2.89Å; R166-D193 IonicContact NH2-OD1 3.91Å; R166-D193 IonicContact NH2-OD2 3.59Å; R166-D193 PolarHBondContact NH2-OD2 3.37Å; R166-Y262 HydrophobicContact CB-CE1 4.29Å
167	S	94.1	Very high	92	Very high	32 Å²	32	27.8 Å²	27.8	22%	0.224	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-47.9	177.8	-172.4	0	0	0	0	111.2	A163 Q164 W165 F169 L170 N171	A163-S167 WeakPolarHBondContact O-CB 3.12Å; A163-S167 PolarHBondContact O-N 2.95Å; Q164-S167 WeakPolarHBondContact O-CB 3.4Å; Q164-S167 PolarHBondContact O-N 2.98Å; Q164-S167 VanDerWaalsContact O-N 3.13Å; W165-S167 VanDerWaalsContact C-N 3.35Å; S167-F169 VanDerWaalsContact C-N 3.35Å; S167-F169 PolarHBondContact O-N 3.28Å; S167-L170 PolarHBondContact O-N 3.33Å; S167-N171 VanDerWaalsContact O-CB 3.26Å; S167-N171 WeakPolarHBondContact O-CB 3.47Å; S167-N171 PolarHBondContact O-N 3.03Å; S167-N171 PolarHBondContact O-ND2 3.05Å; S167-N171 VanDerWaalsContact O-ND2 3.08Å; S167-N171 PolarHBondContact OG-ND2 3.42Å
168	D	92.6	Very high	90.9	Very high	6 Å²	6	32 Å²	32	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-43	179.5	-60.4	-25.7	0	0	0	111.8	R122 Q164 W165 G172 W173 V174	R122-D168 IonicContact CZ-OD1 3.47Å; R122-D168 IonicContact CZ-OD2 3.5Å; R122-D168 IonicContact NH1-OD1 3.51Å; R122-D168 PolarHBondContact NH1-OD1 3.45Å; R122-D168 IonicContact NH1-OD2 3.58Å; R122-D168 PolarHBondContact NH1-OD2 2.92Å; R122-D168 IonicContact NH2-OD1 2.77Å; R122-D168 PolarHBondContact NH2-OD1 3.42Å; R122-D168 IonicContact NH2-OD2 2.71Å; R122-D168 PolarHBondContact NH2-OD2 3.45Å; Q164-D168 VanDerWaalsContact O-CG 3.24Å; Q164-D168 PolarHBondContact O-N 3.25Å; W165-D168 PolarHBondContact O-N 3.21Å; D168-G172 PolarHBondContact O-N 3.38Å; D168-G172 VanDerWaalsContact O-N 3.17Å; D168-W173 HydrophobicContact CB-CB 4.06Å; D168-W173 PolarHBondContact O-N 3.46Å; D168-V174 HydrophobicContact CB-CG2 4.07Å
169	F	93.3	Very high	90.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-48.7	178.1	176.4	-107.2	0	0	0	112.2	W165 R166 S167 G172 I176 C186 P219 Y262 L266 L269 L270	W165-F169 WeakPolarHBondContact O-CB 3.36Å; W165-F169 PolarHBondContact O-N 2.9Å; R166-F169 PolarHBondContact O-N 3.27Å; S167-F169 VanDerWaalsContact C-N 3.35Å; S167-F169 PolarHBondContact O-N 3.28Å; F169-G172 PolarHBondContact O-N 2.8Å; F169-I176 HydrophobicContact CD2-CD1 3.71Å; F169-I176 HydrophobicContact CE2-CD1 3.53Å; F169-I176 HydrophobicContact CE2-CG1 4.5Å; F169-I176 HydrophobicContact CZ-CD1 4.43Å; F169-C186 HydrophobicContact CZ-CB 4.29Å; F169-P219 HydrophobicContact CD1-CG 3.86Å; F169-P219 HydrophobicContact CD2-CG 3.81Å; F169-P219 VanDerWaalsContact CE1-CD 3.46Å; F169-P219 HydrophobicContact CE1-CG 3.44Å; F169-P219 VanDerWaalsContact CE1-CG 3.44Å; F169-P219 HydrophobicContact CE2-CG 3.39Å; F169-P219 HydrophobicContact CG-CG 4.05Å; F169-P219 HydrophobicContact CZ-CG 3.2Å; F169-P219 WeakPolarHBondContact O-CB 3.1Å; F169-Y262 WeakPolarHBondContact CD1-OH 3.35Å; F169-L266 HydrophobicContact CB-CD1 4.37Å; F169-L266 HydrophobicContact CB-CD2 4.44Å; F169-L266 HydrophobicContact CD2-CD1 3.45Å; F169-L266 VanDerWaalsContact CD2-CD1 3.45Å; F169-L266 HydrophobicContact CE2-CD1 3.79Å; F169-L266 HydrophobicContact CG-CD1 4Å; F169-L269 HydrophobicContact CE2-CD2 4.45Å; F169-L270 HydrophobicContact CD2-CD1 4.21Å
170	L	92.8	Very high	89.7	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-71.1	-37.6	-177.6	-67.2	-179.2	0	0	0	112.6	R166 S167 G172 F217	R166-L170 HydrophobicContact CG-CD1 3.92Å; R166-L170 HydrophobicContact CG-CG 4.36Å; R166-L170 VanDerWaalsContact CZ-CD1 3.48Å; R166-L170 WeakPolarHBondContact O-CB 3.17Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.3Å; R166-L170 PolarHBondContact O-N 3.47Å; S167-L170 PolarHBondContact O-N 3.33Å; L170-G172 PolarHBondContact O-N 2.84Å; L170-F217 WeakPolarHBondContact CD2-O 3.21Å
171	N	89.2	Confident	89.2	Confident	60 Å²	60	46.2 Å²	46.2	32%	0.321	25%	0.248	S	C	.	.	H	α-helix	trans	-79.5	-6.8	179.9	-72.1	-50.2	0	0	0	113.5	S167 W173 R220	S167-N171 VanDerWaalsContact O-CB 3.26Å; S167-N171 WeakPolarHBondContact O-CB 3.47Å; S167-N171 PolarHBondContact O-N 3.03Å; S167-N171 PolarHBondContact O-ND2 3.05Å; S167-N171 VanDerWaalsContact O-ND2 3.08Å; S167-N171 PolarHBondContact OG-ND2 3.42Å; N171-W173 VanDerWaalsContact CB-CD1 3.43Å; N171-R220 PolarHBondContact O-NE 3.35Å; N171-R220 PolarHBondContact OD1-NH2 3.46Å
172	G	85.9	Confident	88.6	Confident	41 Å²	41	46.3 Å²	46.3	42%	0.423	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	31.2	179.4	0	0	0	0	0	113.1	D168 F169 L170 V174	D168-G172 PolarHBondContact O-N 3.38Å; D168-G172 VanDerWaalsContact O-N 3.17Å; F169-G172 PolarHBondContact O-N 2.8Å; L170-G172 PolarHBondContact O-N 2.84Å; G172-V174 VanDerWaalsContact C-N 3.28Å
173	W	86.4	Confident	88.1	Confident	73 Å²	73	47 Å²	47	28%	0.277	25%	0.252	S	S	.	.			trans	-76.4	-20.8	175.5	-73.4	42.8	0	0	0	111.9	M95 R100 L120 D168 N171	M95-W173 HydrophobicContact CE-CZ3 3.79Å; R100-W173 HydrophobicContact CG-CZ3 4.17Å; R100-W173 VanDerWaalsContact CZ-CE3 3.44Å; R100-W173 VanDerWaalsContact NH2-CE2 3.34Å; L120-W173 HydrophobicContact CD1-CH2 3.81Å; L120-W173 HydrophobicContact CD1-CZ3 3.93Å; D168-W173 HydrophobicContact CB-CB 4.06Å; D168-W173 PolarHBondContact O-N 3.46Å; N171-W173 VanDerWaalsContact CB-CD1 3.43Å
174	V	84.8	Confident	87.7	Confident	25 Å²	25	51.4 Å²	51.4	15%	0.152	27%	0.269	C	S	.	.	S	Bend	trans	-110.2	137.7	174.3	-169.5	0	0	0	0	109.7	D168 G172 L270 V273	D168-V174 HydrophobicContact CB-CG2 4.07Å; G172-V174 VanDerWaalsContact C-N 3.28Å; V174-L270 HydrophobicContact CB-CD1 4.29Å; V174-L270 HydrophobicContact CG1-CB 4.4Å; V174-L270 HydrophobicContact CG1-CD1 3.82Å; V174-L270 HydrophobicContact CG1-CD2 4.5Å; V174-L270 HydrophobicContact CG1-CG 4.47Å; V174-V273 HydrophobicContact CG2-CG2 4.26Å
175	H	84.4	Confident	87.5	Confident	149 Å²	149	55.2 Å²	55.2	69%	0.69	29%	0.287	S	S	*	.			trans	-73.7	130	175.7	179.3	-81.6	0	0	0	111.1	L270	H175-L270 VanDerWaalsContact O-CD2 3.3Å; H175-L270 WeakPolarHBondContact O-CD2 3.05Å
176	I	85.2	Confident	87.3	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	29%	0.286	C	S	.	.			trans	-111	132.4	-176.8	-55.9	177.6	0	0	0	110.2	F169 P219 L270	F169-I176 HydrophobicContact CD2-CD1 3.71Å; F169-I176 HydrophobicContact CE2-CD1 3.53Å; F169-I176 HydrophobicContact CE2-CG1 4.5Å; F169-I176 HydrophobicContact CZ-CD1 4.43Å; I176-P219 HydrophobicContact CD1-CB 3.37Å; I176-P219 HydrophobicContact CD1-CG 3.2Å; I176-L270 HydrophobicContact CG1-CD1 4.2Å; I176-L270 HydrophobicContact CG1-CD2 4.3Å
177	P	81.2	Confident	87.2	Confident	52 Å²	52	53.9 Å²	53.9	34%	0.338	29%	0.285	S	S	.	.			trans	-55.5	145.3	175.3	-23.4	32.4	0	0	0	112.8	S179 A182	P177-S179 VanDerWaalsContact C-N 3.29Å; P177-S179 PolarHBondContact O-N 3.49Å; P177-A182 HydrophobicContact CB-CB 4.16Å; P177-A182 WeakPolarHBondContact O-CB 3.45Å
178	V	73.8	Confident	87.1	Confident	90 Å²	90	53.9 Å²	53.9	55%	0.545	29%	0.289	S	S	.	.			trans	-93.3	17.1	-175.8	-164.4	0	0	0	0	111.5	R225	V178-R225 VanDerWaalsContact C-NH1 3.34Å; V178-R225 VanDerWaalsContact CG1-CZ 3.46Å; V178-R225 PolarHBondContact O-NH1 3.3Å; V178-R225 PolarHBondContact O-NH2 2.86Å; V178-R225 VanDerWaalsContact O-NH2 3.07Å
179	S	84.1	Confident	87.2	Confident	52 Å²	52	53.6 Å²	53.6	36%	0.364	29%	0.288	S	S	.	.	S	Bend	trans	-73.6	159.8	178.5	68.6	0	0	0	0	112.5	P177 E181 A182 Q183	P177-S179 VanDerWaalsContact C-N 3.29Å; P177-S179 PolarHBondContact O-N 3.49Å; S179-E181 VanDerWaalsContact C-N 3.32Å; S179-A182 PolarHBondContact O-N 3.37Å; S179-A182 WeakPolarHBondContact OG-CB 3.4Å; S179-A182 PolarHBondContact OG-N 3.42Å; S179-A182 VanDerWaalsContact OG-N 3.14Å; S179-Q183 PolarHBondContact O-N 2.91Å
180	H	82.3	Confident	87.2	Confident	122 Å²	122	53.6 Å²	53.6	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-65.4	-37.6	173.7	-173.8	-87.1	0	0	0	111.4	A182 Q183 E184	H180-A182 VanDerWaalsContact C-N 3.35Å; H180-A182 PolarHBondContact O-N 3.29Å; H180-Q183 WeakPolarHBondContact O-CB 3.43Å; H180-Q183 PolarHBondContact O-N 3.07Å; H180-Q183 VanDerWaalsContact O-N 3.12Å; H180-E184 IonicContact CE1-OE1 3.37Å; H180-E184 PolarHBondContact CE1-OE1 3.25Å; H180-E184 VanDerWaalsContact CE1-OE1 3.27Å; H180-E184 IonicContact ND1-OE1 3.33Å; H180-E184 PolarHBondContact O-N 3.26Å; H180-E184 VanDerWaalsContact O-N 3.14Å
181	E	85.6	Confident	87.3	Confident	148 Å²	148	53.7 Å²	53.7	69%	0.692	29%	0.289	S	S	*	.	H	α-helix	trans	-58.8	-45.1	174.9	-66.9	172.5	177.4	0	0	111.6	S179 Q183 E184 E185	S179-E181 VanDerWaalsContact C-N 3.32Å; E181-Q183 PolarHBondContact O-N 3.15Å; E181-E184 PolarHBondContact O-N 2.94Å; E181-E184 VanDerWaalsContact O-N 3.14Å; E181-E185 PolarHBondContact O-N 3.46Å
182	A	85.8	Confident	87.5	Confident	2 Å²	2	52 Å²	52	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-32.4	176.7	0	0	0	0	0	112.6	P177 S179 H180 C186 L269	P177-A182 HydrophobicContact CB-CB 4.16Å; P177-A182 WeakPolarHBondContact O-CB 3.45Å; S179-A182 PolarHBondContact O-N 3.37Å; S179-A182 WeakPolarHBondContact OG-CB 3.4Å; S179-A182 PolarHBondContact OG-N 3.42Å; S179-A182 VanDerWaalsContact OG-N 3.14Å; H180-A182 VanDerWaalsContact C-N 3.35Å; H180-A182 PolarHBondContact O-N 3.29Å; A182-C186 WeakPolarHBondContact O-CB 3.19Å; A182-C186 PolarHBondContact O-N 3.26Å; A182-C186 PolarHBondContact O-SG 3.36Å; A182-L269 HydrophobicContact CB-CD1 3.92Å
183	Q	85.4	Confident	87.9	Confident	20 Å²	20	50.1 Å²	50.1	9%	0.093	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-43.3	174.6	-66.8	-179.5	-37.7	0	0	112	S179 H180 E181 C186 L187 M222 R225 Y229	S179-Q183 PolarHBondContact O-N 2.91Å; H180-Q183 WeakPolarHBondContact O-CB 3.43Å; H180-Q183 PolarHBondContact O-N 3.07Å; H180-Q183 VanDerWaalsContact O-N 3.12Å; E181-Q183 PolarHBondContact O-N 3.15Å; Q183-C186 PolarHBondContact O-N 3.15Å; Q183-L187 WeakPolarHBondContact O-CG 3.48Å; Q183-L187 PolarHBondContact O-N 3.24Å; Q183-M222 HydrophobicContact CG-SD 3.74Å; Q183-R225 VanDerWaalsContact NE2-CD 3.3Å; Q183-R225 VanDerWaalsContact NE2-NE 3.14Å; Q183-Y229 PolarHBondContact NE2-OH 3.11Å; Q183-Y229 PolarHBondContact OE1-OH 3.09Å
184	E	88.3	Confident	88.3	Confident	115 Å²	115	46.6 Å²	46.6	54%	0.537	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-43.6	177.7	-68	-168.5	154.3	0	0	111.2	H180 E181 C186 L187 G188	H180-E184 IonicContact CE1-OE1 3.37Å; H180-E184 PolarHBondContact CE1-OE1 3.25Å; H180-E184 VanDerWaalsContact CE1-OE1 3.27Å; H180-E184 IonicContact ND1-OE1 3.33Å; H180-E184 PolarHBondContact O-N 3.26Å; H180-E184 VanDerWaalsContact O-N 3.14Å; E181-E184 PolarHBondContact O-N 2.94Å; E181-E184 VanDerWaalsContact O-N 3.14Å; E184-C186 PolarHBondContact O-N 2.92Å; E184-L187 PolarHBondContact O-N 3.2Å; E184-G188 PolarHBondContact O-N 3.44Å
185	E	91.4	Very high	88.6	Confident	83 Å²	83	46 Å²	46	39%	0.388	24%	0.242	S	C	.	.	H	α-helix	trans	-59.8	-45	174.1	-72	-61.8	157.3	0	0	111.6	E181 L187 G188 M189 L269	E181-E185 PolarHBondContact O-N 3.46Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 2.85Å; E185-G188 PolarHBondContact O-N 3.22Å; E185-G188 VanDerWaalsContact O-N 3.14Å; E185-M189 WeakPolarHBondContact O-CB 3.4Å; E185-M189 WeakPolarHBondContact O-CG 3.4Å; E185-M189 PolarHBondContact O-N 3.37Å; E185-L269 HydrophobicContact CB-CD1 4.27Å; E185-L269 HydrophobicContact CB-CD2 4.36Å
186	C	92.4	Very high	89.1	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-38.5	176	-71.4	0	0	0	0	112.6	F169 A182 Q183 E184 M189 A190 L218 M222	F169-C186 HydrophobicContact CZ-CB 4.29Å; A182-C186 WeakPolarHBondContact O-CB 3.19Å; A182-C186 PolarHBondContact O-N 3.26Å; A182-C186 PolarHBondContact O-SG 3.36Å; Q183-C186 PolarHBondContact O-N 3.15Å; E184-C186 PolarHBondContact O-N 2.92Å; C186-M189 PolarHBondContact O-N 3.31Å; C186-A190 PolarHBondContact O-N 3.49Å; C186-L218 HydrophobicContact CB-CD2 4.04Å; C186-L218 VanDerWaalsContact O-CD2 3.23Å; C186-L218 WeakPolarHBondContact O-CD2 3.44Å; C186-M222 HydrophobicContact CB-CG 4.44Å
187	L	92.1	Very high	89.5	Confident	40 Å²	40	42 Å²	42	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-40.7	175	-70.9	167.8	0	0	0	111.4	Q183 E184 E185 M189 A190 V191 Y214 L218 I237 F241	Q183-L187 WeakPolarHBondContact O-CG 3.48Å; Q183-L187 PolarHBondContact O-N 3.24Å; E184-L187 PolarHBondContact O-N 3.2Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 2.85Å; L187-M189 VanDerWaalsContact C-N 3.32Å; L187-M189 PolarHBondContact O-N 3.41Å; L187-A190 PolarHBondContact O-N 3.33Å; L187-V191 PolarHBondContact O-N 2.85Å; L187-V191 VanDerWaalsContact O-N 3.09Å; L187-Y214 HydrophobicContact CD2-CD2 4.29Å; L187-Y214 HydrophobicContact CD2-CE2 4.06Å; L187-L218 HydrophobicContact CD2-CD1 4Å; L187-L218 HydrophobicContact CD2-CD2 4.3Å; L187-I237 HydrophobicContact CD1-CG2 4.38Å; L187-I237 HydrophobicContact CD2-CG2 4.38Å; L187-F241 HydrophobicContact CD2-CD2 3.92Å; L187-F241 HydrophobicContact CD2-CE2 4.18Å; L187-F241 WeakPolarHBondContact O-CE2 3.48Å
188	G	92.3	Very high	89.9	Confident	31 Å²	31	39.5 Å²	39.5	32%	0.32	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-42.1	172.8	0	0	0	0	0	112.3	E184 E185 A190 V191 L192	E184-G188 PolarHBondContact O-N 3.44Å; E185-G188 PolarHBondContact O-N 3.22Å; E185-G188 VanDerWaalsContact O-N 3.14Å; G188-A190 PolarHBondContact O-N 2.8Å; G188-V191 WeakPolarHBondContact O-CB 3.26Å; G188-V191 PolarHBondContact O-N 2.92Å; G188-V191 VanDerWaalsContact O-N 3.16Å; G188-L192 WeakPolarHBondContact O-CG 3.45Å; G188-L192 PolarHBondContact O-N 2.77Å
189	M	93.9	Very high	90.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-41.1	175.3	-69.3	-72.8	-84.5	0	0	112.4	E185 C186 L187 V191 L192 D193 Y262 N265 L266	E185-M189 WeakPolarHBondContact O-CB 3.4Å; E185-M189 WeakPolarHBondContact O-CG 3.4Å; E185-M189 PolarHBondContact O-N 3.37Å; C186-M189 PolarHBondContact O-N 3.31Å; L187-M189 VanDerWaalsContact C-N 3.32Å; L187-M189 PolarHBondContact O-N 3.41Å; M189-V191 VanDerWaalsContact C-N 3.31Å; M189-V191 PolarHBondContact O-N 3.03Å; M189-L192 PolarHBondContact O-N 3.49Å; M189-L192 HydrophobicContact SD-CD1 4.19Å; M189-D193 PolarHBondContact O-N 3.43Å; M189-Y262 HydrophobicContact CB-CD2 4.22Å; M189-Y262 HydrophobicContact CB-CE2 3.84Å; M189-Y262 HydrophobicContact CE-CD1 3.43Å; M189-Y262 VanDerWaalsContact CE-CD1 3.43Å; M189-Y262 HydrophobicContact CE-CD2 3.59Å; M189-Y262 HydrophobicContact CE-CE1 3.38Å; M189-Y262 HydrophobicContact CE-CE2 3.55Å; M189-Y262 HydrophobicContact CE-CG 3.52Å; M189-Y262 VanDerWaalsContact CE-CZ 3.44Å; M189-Y262 WeakPolarHBondContact CE-O 3.01Å; M189-Y262 WeakPolarHBondContact O-CE2 3.39Å; M189-Y262 HydrophobicContact SD-CD1 4.38Å; M189-Y262 HydrophobicContact SD-CD2 3.68Å; M189-Y262 HydrophobicContact SD-CE2 4.03Å; M189-Y262 HydrophobicContact SD-CG 3.87Å; M189-N265 HydrophobicContact CE-CB 4.39Å; M189-N265 HydrophobicContact CG-CB 4.41Å; M189-N265 HydrophobicContact SD-CB 3.41Å; M189-N265 WeakPolarHBondContact SD-CB 2.9Å; M189-L266 HydrophobicContact CE-CB 3.68Å; M189-L266 HydrophobicContact CE-CD1 3.88Å; M189-L266 HydrophobicContact CE-CG 4.31Å
190	A	94.8	Very high	91.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-36.4	173.8	0	0	0	0	0	112.3	C186 L187 G188 M194 F217 L218 F241	C186-A190 PolarHBondContact O-N 3.49Å; L187-A190 PolarHBondContact O-N 3.33Å; G188-A190 PolarHBondContact O-N 2.8Å; A190-M194 WeakPolarHBondContact O-CB 3.27Å; A190-M194 VanDerWaalsContact O-CG 3.25Å; A190-M194 WeakPolarHBondContact O-CG 3.42Å; A190-M194 PolarHBondContact O-N 2.93Å; A190-F217 HydrophobicContact CB-CB 3.8Å; A190-L218 HydrophobicContact CB-CD2 3.85Å; A190-L218 HydrophobicContact CB-CG 4.31Å; A190-F241 HydrophobicContact CB-CE2 3.94Å; A190-F241 HydrophobicContact CB-CZ 3.93Å
191	V	93.4	Very high	91.5	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-48.7	173.1	171.2	0	0	0	0	110.8	L187 G188 M189 D193 M194 M195 F241 I245	L187-V191 PolarHBondContact O-N 2.85Å; L187-V191 VanDerWaalsContact O-N 3.09Å; G188-V191 WeakPolarHBondContact O-CB 3.26Å; G188-V191 PolarHBondContact O-N 2.92Å; G188-V191 VanDerWaalsContact O-N 3.16Å; M189-V191 VanDerWaalsContact C-N 3.31Å; M189-V191 PolarHBondContact O-N 3.03Å; V191-D193 VanDerWaalsContact C-N 3.3Å; V191-D193 PolarHBondContact O-N 3.49Å; V191-M194 PolarHBondContact O-N 3.47Å; V191-M195 HydrophobicContact CG1-CG 4.34Å; V191-M195 HydrophobicContact CG1-SD 3.93Å; V191-M195 WeakPolarHBondContact O-CB 3.41Å; V191-M195 VanDerWaalsContact O-CG 3.29Å; V191-M195 WeakPolarHBondContact O-CG 3.39Å; V191-M195 PolarHBondContact O-N 3.46Å; V191-F241 HydrophobicContact CG2-CD2 4.25Å; V191-F241 HydrophobicContact CG2-CE1 4.26Å; V191-F241 HydrophobicContact CG2-CE2 3.63Å; V191-F241 HydrophobicContact CG2-CZ 3.63Å; V191-I245 HydrophobicContact CB-CD1 4.33Å; V191-I245 HydrophobicContact CG1-CD1 4.01Å; V191-I245 HydrophobicContact CG2-CD1 4.15Å
192	L	94.2	Very high	91.6	Very high	25 Å²	25	39.6 Å²	39.6	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-43.3	178.5	-67.8	173.2	0	0	0	112	G188 M189 M195 R196 L258 K261 Y262	G188-L192 WeakPolarHBondContact O-CG 3.45Å; G188-L192 PolarHBondContact O-N 2.77Å; M189-L192 PolarHBondContact O-N 3.49Å; M189-L192 HydrophobicContact SD-CD1 4.19Å; L192-M195 PolarHBondContact O-N 2.91Å; L192-R196 WeakPolarHBondContact O-CB 3.44Å; L192-R196 PolarHBondContact O-N 3.14Å; L192-L258 HydrophobicContact CD2-CD2 3.98Å; L192-K261 HydrophobicContact CD1-CB 4.36Å; L192-K261 HydrophobicContact CD1-CG 3.93Å; L192-K261 HydrophobicContact CD2-CG 4.19Å; L192-Y262 HydrophobicContact CB-CD2 4.21Å
193	D	95.1	Very high	91.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-37.6	-178.9	-167.7	15.3	0	0	0	112.9	R166 M189 V191 R196 L197 F217 Y262	R166-D193 IonicContact CZ-OD1 2.66Å; R166-D193 IonicContact CZ-OD2 2.6Å; R166-D193 VanDerWaalsContact NE-CG 3.25Å; R166-D193 IonicContact NE-OD1 3.68Å; R166-D193 PolarHBondContact NE-OD1 3.16Å; R166-D193 VanDerWaalsContact NE-OD1 3.13Å; R166-D193 IonicContact NE-OD2 3.25Å; R166-D193 PolarHBondContact NE-OD2 2.89Å; R166-D193 IonicContact NH2-OD1 3.91Å; R166-D193 IonicContact NH2-OD2 3.59Å; R166-D193 PolarHBondContact NH2-OD2 3.37Å; M189-D193 PolarHBondContact O-N 3.43Å; V191-D193 VanDerWaalsContact C-N 3.3Å; V191-D193 PolarHBondContact O-N 3.49Å; D193-R196 WeakPolarHBondContact O-CB 3.35Å; D193-R196 PolarHBondContact O-N 3.35Å; D193-R196 IonicContact OD1-CZ 2.79Å; D193-R196 VanDerWaalsContact OD1-CZ 3.25Å; D193-R196 IonicContact OD1-NE 3.54Å; D193-R196 PolarHBondContact OD1-NE 2.97Å; D193-R196 IonicContact OD1-NH2 2.78Å; D193-R196 PolarHBondContact OD1-NH2 3.13Å; D193-L197 WeakPolarHBondContact O-CB 3.39Å; D193-L197 PolarHBondContact O-N 2.8Å; D193-F217 HydrophobicContact CB-CD1 4.16Å; D193-F217 VanDerWaalsContact OD2-CD1 3.27Å; D193-F217 WeakPolarHBondContact OD2-CD1 3.5Å; D193-Y262 HydrophobicContact CB-CD2 4.39Å; D193-Y262 HydrophobicContact CB-CE2 4.06Å
194	M	94.2	Very high	92.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-40.2	173.2	-71.6	179.8	78.5	0	0	112.1	A190 V191 R196 L197 A198 I208 Y209 F217 F241 I245	A190-M194 WeakPolarHBondContact O-CB 3.27Å; A190-M194 VanDerWaalsContact O-CG 3.25Å; A190-M194 WeakPolarHBondContact O-CG 3.42Å; A190-M194 PolarHBondContact O-N 2.93Å; V191-M194 PolarHBondContact O-N 3.47Å; M194-R196 VanDerWaalsContact C-N 3.32Å; M194-L197 PolarHBondContact O-N 2.66Å; M194-A198 WeakPolarHBondContact O-CB 3.5Å; M194-A198 PolarHBondContact O-N 3.07Å; M194-I208 HydrophobicContact CB-CG2 4.42Å; M194-I208 HydrophobicContact CE-CG2 4.01Å; M194-I208 HydrophobicContact CG-CG2 4.45Å; M194-Y209 HydrophobicContact CE-CD2 4Å; M194-Y209 HydrophobicContact CE-CG 4.27Å; M194-F217 HydrophobicContact CE-CD2 4.5Å; M194-F217 HydrophobicContact CE-CE2 4.12Å; M194-F217 HydrophobicContact CG-CD1 4.12Å; M194-F217 HydrophobicContact CG-CD2 3.49Å; M194-F217 VanDerWaalsContact CG-CD2 3.49Å; M194-F217 HydrophobicContact CG-CE1 4.11Å; M194-F217 HydrophobicContact CG-CE2 3.47Å; M194-F217 VanDerWaalsContact CG-CE2 3.47Å; M194-F217 HydrophobicContact CG-CG 3.82Å; M194-F217 HydrophobicContact CG-CZ 3.79Å; M194-F217 HydrophobicContact SD-CD2 3.78Å; M194-F217 HydrophobicContact SD-CE2 3.95Å; M194-F217 HydrophobicContact SD-CG 4.49Å; M194-F241 HydrophobicContact SD-CE1 3.59Å; M194-F241 VanDerWaalsContact SD-CE1 3.59Å; M194-F241 HydrophobicContact SD-CZ 3.82Å; M194-I245 HydrophobicContact CB-CD1 4.21Å; M194-I245 HydrophobicContact SD-CD1 4.4Å
195	M	91.8	Very high	92.2	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.054	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-39.7	173.8	-72.3	-179.3	71.3	0	0	111.7	V191 L192 A198 K199 F248 C251 L258	V191-M195 HydrophobicContact CG1-CG 4.34Å; V191-M195 HydrophobicContact CG1-SD 3.93Å; V191-M195 WeakPolarHBondContact O-CB 3.41Å; V191-M195 VanDerWaalsContact O-CG 3.29Å; V191-M195 WeakPolarHBondContact O-CG 3.39Å; V191-M195 PolarHBondContact O-N 3.46Å; L192-M195 PolarHBondContact O-N 2.91Å; M195-A198 PolarHBondContact O-N 3.01Å; M195-K199 WeakPolarHBondContact O-CG 3.5Å; M195-K199 PolarHBondContact O-N 3.45Å; M195-F248 HydrophobicContact CE-CB 3.91Å; M195-F248 WeakPolarHBondContact CE-O 3.41Å; M195-F248 HydrophobicContact SD-CB 3.72Å; M195-F248 HydrophobicContact SD-CD1 4.44Å; M195-F248 HydrophobicContact SD-CG 4.36Å; M195-C251 HydrophobicContact CE-CB 4.01Å; M195-L258 HydrophobicContact CB-CD1 3.95Å; M195-L258 HydrophobicContact CB-CD2 4.27Å; M195-L258 HydrophobicContact CE-CD2 4.34Å
196	R	94.1	Very high	92.1	Very high	27 Å²	27	38.2 Å²	38.2	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-51.9	173.9	174	-149.1	62	104.8	-3.4	110.2	L192 D193 M194 A198 K199 E200 V255 L258 K259	L192-R196 WeakPolarHBondContact O-CB 3.44Å; L192-R196 PolarHBondContact O-N 3.14Å; D193-R196 WeakPolarHBondContact O-CB 3.35Å; D193-R196 PolarHBondContact O-N 3.35Å; D193-R196 IonicContact OD1-CZ 2.79Å; D193-R196 VanDerWaalsContact OD1-CZ 3.25Å; D193-R196 IonicContact OD1-NE 3.54Å; D193-R196 PolarHBondContact OD1-NE 2.97Å; D193-R196 IonicContact OD1-NH2 2.78Å; D193-R196 PolarHBondContact OD1-NH2 3.13Å; M194-R196 VanDerWaalsContact C-N 3.32Å; R196-A198 VanDerWaalsContact C-N 3.29Å; R196-A198 PolarHBondContact O-N 2.96Å; R196-K199 PolarHBondContact O-N 3.29Å; R196-K199 VanDerWaalsContact O-N 3.11Å; R196-E200 HydrophobicContact CG-CG 4.39Å; R196-E200 IonicContact CZ-OE2 2.69Å; R196-E200 IonicContact NH1-OE1 3.61Å; R196-E200 IonicContact NH1-OE2 3.47Å; R196-E200 PolarHBondContact NH1-OE2 2.72Å; R196-E200 PolarHBondContact O-N 3.29Å; R196-V255 HydrophobicContact CG-CG1 4.1Å; R196-L258 HydrophobicContact CB-CB 4.31Å; R196-L258 HydrophobicContact CB-CD1 4.38Å; R196-K259 HydrophobicContact CG-CG 4.31Å
197	L	92.5	Very high	92.1	Very high	44 Å²	44	41.9 Å²	41.9	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-42.2	-179.2	-173.8	62.7	0	0	0	111.3	D193 M194 K199 E200 S201 I208 F217	D193-L197 WeakPolarHBondContact O-CB 3.39Å; D193-L197 PolarHBondContact O-N 2.8Å; M194-L197 PolarHBondContact O-N 2.66Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 3.41Å; L197-E200 PolarHBondContact O-N 3.21Å; L197-S201 WeakPolarHBondContact O-CB 3.25Å; L197-S201 PolarHBondContact O-N 3.04Å; L197-S201 PolarHBondContact O-OG 3.48Å; L197-I208 HydrophobicContact CD2-CD1 4.4Å; L197-I208 HydrophobicContact CD2-CG2 3.96Å; L197-I208 HydrophobicContact CG-CD1 4.25Å; L197-F217 HydrophobicContact CD2-CE1 4.1Å; L197-F217 HydrophobicContact CD2-CZ 3.89Å
198	A	91.6	Very high	92.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-56.7	-46	174.3	0	0	0	0	0	111.9	M194 M195 R196 D202 L203 P205 I208	M194-A198 WeakPolarHBondContact O-CB 3.5Å; M194-A198 PolarHBondContact O-N 3.07Å; M195-A198 PolarHBondContact O-N 3.01Å; R196-A198 VanDerWaalsContact C-N 3.29Å; R196-A198 PolarHBondContact O-N 2.96Å; A198-D202 PolarHBondContact O-N 3.09Å; A198-L203 CarbonylContact C-O 3.48Å; A198-L203 WeakPolarHBondContact CB-O 3.36Å; A198-L203 PolarHBondContact O-N 3.37Å; A198-L203 VanDerWaalsContact O-O 3.1Å; A198-P205 HydrophobicContact CB-CB 4.28Å; A198-P205 HydrophobicContact CB-CG 3.93Å; A198-I208 HydrophobicContact CB-CG1 3.77Å
199	K	90.7	Very high	92	Very high	113 Å²	113	39.4 Å²	39.4	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-70.3	-35.1	178.3	-71.6	-68.7	-174.3	-175.1	0	113.8	M195 R196 L197 V255 L258	M195-K199 WeakPolarHBondContact O-CG 3.5Å; M195-K199 PolarHBondContact O-N 3.45Å; R196-K199 PolarHBondContact O-N 3.29Å; R196-K199 VanDerWaalsContact O-N 3.11Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 3.41Å; K199-V255 HydrophobicContact CB-CG2 3.62Å; K199-L258 HydrophobicContact CG-CD1 4.41Å
200	E	90.9	Very high	91.9	Very high	82 Å²	82	44.3 Å²	44.3	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-73.1	-32.2	177.5	-74.4	178.9	171.5	0	0	112.4	R196 L197 V255 K259	R196-E200 HydrophobicContact CG-CG 4.39Å; R196-E200 IonicContact CZ-OE2 2.69Å; R196-E200 IonicContact NH1-OE1 3.61Å; R196-E200 IonicContact NH1-OE2 3.47Å; R196-E200 PolarHBondContact NH1-OE2 2.72Å; R196-E200 PolarHBondContact O-N 3.29Å; L197-E200 PolarHBondContact O-N 3.21Å; E200-V255 HydrophobicContact CG-CG1 3.78Å; E200-V255 HydrophobicContact CG-CG2 4.01Å; E200-V255 WeakPolarHBondContact OE1-CG1 3.45Å; E200-K259 WeakPolarHBondContact OE1-CE 3.3Å; E200-K259 IonicContact OE1-NZ 2.72Å; E200-K259 PolarHBondContact OE1-NZ 3.02Å
201	S	90.8	Very high	91.8	Very high	63 Å²	63	50.9 Å²	50.9	44%	0.441	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.3	178.1	-57.7	0	0	0	0	114.2	L197 L203	L197-S201 WeakPolarHBondContact O-CB 3.25Å; L197-S201 PolarHBondContact O-N 3.04Å; L197-S201 PolarHBondContact O-OG 3.48Å; S201-L203 VanDerWaalsContact C-N 3.27Å; S201-L203 PolarHBondContact O-N 3.16Å
202	D	89.1	Confident	91.6	Very high	155 Å²	155	52.2 Å²	52.2	83%	0.829	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.6	-174.2	-156.1	31.3	0	0	0	113.9	A198	A198-D202 PolarHBondContact O-N 3.09Å
203	L	90.9	Very high	91.6	Very high	93 Å²	93	53.8 Å²	53.8	49%	0.487	29%	0.293	S	S	.	.			trans	-114.3	163.9	178.2	-66.2	176.8	0	0	0	111.1	A198 S201 I208	A198-L203 CarbonylContact C-O 3.48Å; A198-L203 WeakPolarHBondContact CB-O 3.36Å; A198-L203 PolarHBondContact O-N 3.37Å; A198-L203 VanDerWaalsContact O-O 3.1Å; S201-L203 VanDerWaalsContact C-N 3.27Å; S201-L203 PolarHBondContact O-N 3.16Å; L203-I208 HydrophobicContact CB-CD1 4.16Å; L203-I208 HydrophobicContact CB-CG1 4.46Å; L203-I208 HydrophobicContact CD1-CD1 3.76Å
204	S	89.9	Confident	91.4	Very high	46 Å²	46	53.9 Å²	53.9	32%	0.322	29%	0.293	S	S	.	.			trans	-75.8	147.2	170.7	86	0	0	0	0	110.8	V206 D207 I208	S204-V206 PolarHBondContact O-N 3.32Å; S204-V206 VanDerWaalsContact O-N 3.1Å; S204-V206 PolarHBondContact OG-N 3.02Å; S204-D207 VanDerWaalsContact CB-OD2 3.23Å; S204-D207 WeakPolarHBondContact CB-OD2 3.5Å; S204-D207 PolarHBondContact N-OD2 3.28Å; S204-D207 WeakPolarHBondContact O-CB 3.29Å; S204-D207 PolarHBondContact O-N 2.94Å; S204-D207 PolarHBondContact OG-N 3.48Å; S204-D207 PolarHBondContact OG-OD2 2.88Å; S204-I208 PolarHBondContact O-N 3.29Å
205	P	90.2	Very high	91.3	Very high	19 Å²	19	55.8 Å²	55.8	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-26.4	174.6	-27.6	36.2	0	0	0	113.9	A198 Y209 I245	A198-P205 HydrophobicContact CB-CB 4.28Å; A198-P205 HydrophobicContact CB-CG 3.93Å; P205-Y209 WeakPolarHBondContact O-CB 3.47Å; P205-Y209 PolarHBondContact O-N 2.95Å; P205-Y209 VanDerWaalsContact O-N 3.16Å; P205-I245 HydrophobicContact CB-CG2 3.75Å
206	V	89.9	Confident	91.4	Very high	34 Å²	34	57.5 Å²	57.5	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-72.5	-36.7	177.1	179.3	0	0	0	0	111	S204 Y209 N210 I245 Q246	S204-V206 PolarHBondContact O-N 3.32Å; S204-V206 VanDerWaalsContact O-N 3.1Å; S204-V206 PolarHBondContact OG-N 3.02Å; V206-Y209 PolarHBondContact O-N 3.37Å; V206-N210 PolarHBondContact O-N 3.49Å; V206-N210 PolarHBondContact O-ND2 2.95Å; V206-I245 HydrophobicContact CG2-CG2 4.3Å; V206-Q246 HydrophobicContact CG2-CG 4.12Å
207	D	90.8	Very high	91.4	Very high	78 Å²	78	56.5 Å²	56.5	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-46.5	176.5	-59	-39.9	0	0	0	110.6	S204 Y209 N210 D211	S204-D207 VanDerWaalsContact CB-OD2 3.23Å; S204-D207 WeakPolarHBondContact CB-OD2 3.5Å; S204-D207 PolarHBondContact N-OD2 3.28Å; S204-D207 WeakPolarHBondContact O-CB 3.29Å; S204-D207 PolarHBondContact O-N 2.94Å; S204-D207 PolarHBondContact OG-N 3.48Å; S204-D207 PolarHBondContact OG-OD2 2.88Å; D207-Y209 VanDerWaalsContact C-N 3.27Å; D207-Y209 PolarHBondContact O-N 3.34Å; D207-N210 PolarHBondContact O-N 2.91Å; D207-N210 VanDerWaalsContact O-N 3.1Å; D207-D211 WeakPolarHBondContact O-CB 3.27Å; D207-D211 PolarHBondContact O-N 3.42Å
208	I	92.4	Very high	91.4	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.046	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-40.9	174.2	-59.5	-58.3	0	0	0	111.5	M194 L197 A198 L203 S204 N210 T212 F217	M194-I208 HydrophobicContact CB-CG2 4.42Å; M194-I208 HydrophobicContact CE-CG2 4.01Å; M194-I208 HydrophobicContact CG-CG2 4.45Å; L197-I208 HydrophobicContact CD2-CD1 4.4Å; L197-I208 HydrophobicContact CD2-CG2 3.96Å; L197-I208 HydrophobicContact CG-CD1 4.25Å; A198-I208 HydrophobicContact CB-CG1 3.77Å; L203-I208 HydrophobicContact CB-CD1 4.16Å; L203-I208 HydrophobicContact CB-CG1 4.46Å; L203-I208 HydrophobicContact CD1-CD1 3.76Å; S204-I208 PolarHBondContact O-N 3.29Å; I208-N210 VanDerWaalsContact C-N 3.35Å; I208-T212 PolarHBondContact O-N 3.09Å; I208-F217 HydrophobicContact CG2-CZ 4.36Å
209	Y	91.7	Very high	91.4	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-68.5	-31.5	178.3	172.5	-90.1	0	0	0	114	M194 P205 V206 D207 Y214 R238 F241 R242	M194-Y209 HydrophobicContact CE-CD2 4Å; M194-Y209 HydrophobicContact CE-CG 4.27Å; P205-Y209 WeakPolarHBondContact O-CB 3.47Å; P205-Y209 PolarHBondContact O-N 2.95Å; P205-Y209 VanDerWaalsContact O-N 3.16Å; V206-Y209 PolarHBondContact O-N 3.37Å; D207-Y209 VanDerWaalsContact C-N 3.27Å; D207-Y209 PolarHBondContact O-N 3.34Å; Y209-Y214 HydrophobicContact CE2-CD1 4.3Å; Y209-R238 WeakPolarHBondContact OH-CG 3.45Å; Y209-R238 PolarHBondContact OH-NE 3.34Å; Y209-R238 VanDerWaalsContact OH-NE 3.14Å; Y209-F241 HydrophobicContact CD2-CD1 4.06Å; Y209-F241 HydrophobicContact CD2-CE1 4.22Å; Y209-F241 AromaticContact CE2-CD1 3.91Å; Y209-F241 HydrophobicContact CE2-CD1 3.91Å; Y209-F241 HydrophobicContact CE2-CE1 4.47Å; Y209-R242 HydrophobicContact CD1-CG 4.4Å; Y209-R242 HydrophobicContact CE1-CB 4.14Å; Y209-R242 HydrophobicContact CE1-CG 3.92Å; Y209-R242 HydrophobicContact CE2-CB 4.49Å
210	N	91.2	Very high	91.3	Very high	103 Å²	103	55.4 Å²	55.4	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-76.4	-37.7	177.7	-68.4	-28.4	0	0	0	111.4	V206 D207 I208	V206-N210 PolarHBondContact O-N 3.49Å; V206-N210 PolarHBondContact O-ND2 2.95Å; D207-N210 PolarHBondContact O-N 2.91Å; D207-N210 VanDerWaalsContact O-N 3.1Å; I208-N210 VanDerWaalsContact C-N 3.35Å
211	D	91.4	Very high	91.2	Very high	139 Å²	139	54.1 Å²	54.1	74%	0.743	30%	0.3	S	S	*	.	H	α-helix	trans	-77.3	-46.2	180	-174.5	61.8	0	0	0	112.4	D207	D207-D211 WeakPolarHBondContact O-CB 3.27Å; D207-D211 PolarHBondContact O-N 3.42Å
212	T	90.8	Very high	91.1	Very high	44 Å²	44	51.6 Å²	51.6	27%	0.27	28%	0.281	S	S	.	.	S	Bend	trans	-117.6	128.8	-176.1	-61	0	0	0	0	112.1	I208 Y214 S216 F217	I208-T212 PolarHBondContact O-N 3.09Å; T212-Y214 PolarHBondContact O-N 2.94Å; T212-S216 WeakPolarHBondContact CG2-OG 3.47Å; T212-F217 HydrophobicContact CG2-CE2 3.56Å; T212-F217 HydrophobicContact CG2-CZ 3.95Å
213	S	93.1	Very high	91.1	Very high	57 Å²	57	48 Å²	48	40%	0.399	26%	0.256	S	S	.	.			trans	-62	130.7	176.5	178.7	0	0	0	0	112.1	K215 S216	S213-K215 PolarHBondContact O-N 2.79Å; S213-K215 PolarHBondContact OG-N 2.84Å; S213-S216 WeakPolarHBondContact O-CB 3.49Å; S213-S216 PolarHBondContact O-N 3.12Å; S213-S216 PolarHBondContact O-OG 3.26Å
214	Y	92.3	Very high	91	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.016	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-52.3	-26.1	175.7	78.2	-89.5	0	0	0	113.8	L187 Y209 T212 S216 F217 L218 I226 I237 R238 F241	L187-Y214 HydrophobicContact CD2-CD2 4.29Å; L187-Y214 HydrophobicContact CD2-CE2 4.06Å; Y209-Y214 HydrophobicContact CE2-CD1 4.3Å; T212-Y214 PolarHBondContact O-N 2.94Å; Y214-S216 PolarHBondContact O-N 2.93Å; Y214-F217 PolarHBondContact O-N 3.18Å; Y214-L218 HydrophobicContact CD2-CD1 3.94Å; Y214-L218 HydrophobicContact CE2-CD1 3.87Å; Y214-I226 HydrophobicContact CE2-CD1 4.31Å; Y214-I237 HydrophobicContact CE2-CG2 4.41Å; Y214-R238 HydrophobicContact CE1-CB 4.27Å; Y214-R238 HydrophobicContact CE1-CG 4.26Å; Y214-F241 VanDerWaalsContact CB-CE1 3.41Å; Y214-F241 HydrophobicContact CD2-CD2 4.13Å; Y214-F241 HydrophobicContact CD2-CE2 4.19Å; Y214-F241 HydrophobicContact CD2-CG 4.33Å; Y214-F241 HydrophobicContact CD2-CZ 4.48Å; Y214-F241 HydrophobicContact CG-CD1 4.09Å; Y214-F241 HydrophobicContact CG-CD2 4.43Å; Y214-F241 HydrophobicContact CG-CE1 4.19Å; Y214-F241 HydrophobicContact CG-CE2 4.49Å; Y214-F241 HydrophobicContact CG-CG 4.22Å; Y214-F241 HydrophobicContact CG-CZ 4.38Å
215	K	92.2	Very high	90.8	Very high	39 Å²	39	48.9 Å²	48.9	17%	0.17	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.4	-23	178.3	-69.1	-178.6	-178.3	178.3	0	113.8	S213 F217 L218 R223	S213-K215 PolarHBondContact O-N 2.79Å; S213-K215 PolarHBondContact OG-N 2.84Å; K215-F217 VanDerWaalsContact C-N 3.26Å; K215-L218 PolarHBondContact O-N 3.36Å; K215-R223 HydrophobicContact CB-CG 4.08Å; K215-R223 PolarHBondContact O-NE 3.06Å
216	S	92.6	Very high	90.7	Very high	47 Å²	47	48.5 Å²	48.5	33%	0.329	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-69.8	-27.6	176.3	64.4	0	0	0	0	112.1	T212 S213 Y214 L218	T212-S216 WeakPolarHBondContact CG2-OG 3.47Å; S213-S216 WeakPolarHBondContact O-CB 3.49Å; S213-S216 PolarHBondContact O-N 3.12Å; S213-S216 PolarHBondContact O-OG 3.26Å; Y214-S216 PolarHBondContact O-N 2.93Å; S216-L218 PolarHBondContact O-N 3.36Å
217	F	94.1	Very high	90.7	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-87	9.7	175.1	-54.9	-84.1	0	0	0	112.9	L170 A190 D193 M194 L197 I208 T212 Y214 K215	L170-F217 WeakPolarHBondContact CD2-O 3.21Å; A190-F217 HydrophobicContact CB-CB 3.8Å; D193-F217 HydrophobicContact CB-CD1 4.16Å; D193-F217 VanDerWaalsContact OD2-CD1 3.27Å; D193-F217 WeakPolarHBondContact OD2-CD1 3.5Å; M194-F217 HydrophobicContact CE-CD2 4.5Å; M194-F217 HydrophobicContact CE-CE2 4.12Å; M194-F217 HydrophobicContact CG-CD1 4.12Å; M194-F217 HydrophobicContact CG-CD2 3.49Å; M194-F217 VanDerWaalsContact CG-CD2 3.49Å; M194-F217 HydrophobicContact CG-CE1 4.11Å; M194-F217 HydrophobicContact CG-CE2 3.47Å; M194-F217 VanDerWaalsContact CG-CE2 3.47Å; M194-F217 HydrophobicContact CG-CG 3.82Å; M194-F217 HydrophobicContact CG-CZ 3.79Å; M194-F217 HydrophobicContact SD-CD2 3.78Å; M194-F217 HydrophobicContact SD-CE2 3.95Å; M194-F217 HydrophobicContact SD-CG 4.49Å; L197-F217 HydrophobicContact CD2-CE1 4.1Å; L197-F217 HydrophobicContact CD2-CZ 3.89Å; I208-F217 HydrophobicContact CG2-CZ 4.36Å; T212-F217 HydrophobicContact CG2-CE2 3.56Å; T212-F217 HydrophobicContact CG2-CZ 3.95Å; Y214-F217 PolarHBondContact O-N 3.18Å; K215-F217 VanDerWaalsContact C-N 3.26Å
218	L	92.7	Very high	90.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-111.8	148.1	175.5	-66.3	175.7	0	0	0	111.5	C186 L187 A190 Y214 K215 S216 R223 I226	C186-L218 HydrophobicContact CB-CD2 4.04Å; C186-L218 VanDerWaalsContact O-CD2 3.23Å; C186-L218 WeakPolarHBondContact O-CD2 3.44Å; L187-L218 HydrophobicContact CD2-CD1 4Å; L187-L218 HydrophobicContact CD2-CD2 4.3Å; A190-L218 HydrophobicContact CB-CD2 3.85Å; A190-L218 HydrophobicContact CB-CG 4.31Å; Y214-L218 HydrophobicContact CD2-CD1 3.94Å; Y214-L218 HydrophobicContact CE2-CD1 3.87Å; K215-L218 PolarHBondContact O-N 3.36Å; S216-L218 PolarHBondContact O-N 3.36Å; L218-R223 PolarHBondContact O-NH2 3.04Å; L218-I226 HydrophobicContact CD1-CD1 3.49Å; L218-I226 VanDerWaalsContact CD1-CD1 3.49Å
219	P	91.6	Very high	90.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.			trans	-55.6	149.1	172.2	-23.8	33.1	0	0	0	112.5	F169 I176 C221 M222 R223	F169-P219 HydrophobicContact CD1-CG 3.86Å; F169-P219 HydrophobicContact CD2-CG 3.81Å; F169-P219 VanDerWaalsContact CE1-CD 3.46Å; F169-P219 HydrophobicContact CE1-CG 3.44Å; F169-P219 VanDerWaalsContact CE1-CG 3.44Å; F169-P219 HydrophobicContact CE2-CG 3.39Å; F169-P219 HydrophobicContact CG-CG 4.05Å; F169-P219 HydrophobicContact CZ-CG 3.2Å; F169-P219 WeakPolarHBondContact O-CB 3.1Å; I176-P219 HydrophobicContact CD1-CB 3.37Å; I176-P219 HydrophobicContact CD1-CG 3.2Å; P219-C221 VanDerWaalsContact C-N 3.3Å; P219-C221 PolarHBondContact O-N 2.94Å; P219-M222 PolarHBondContact O-N 2.89Å; P219-M222 VanDerWaalsContact O-N 3.11Å; P219-R223 WeakPolarHBondContact O-CB 3.43Å; P219-R223 PolarHBondContact O-N 3.49Å
220	R	89.4	Confident	90.8	Very high	134 Å²	134	61.8 Å²	61.8	51%	0.506	31%	0.308	S	S	.	.	H	α-helix	trans	-52.6	-44.3	179.8	-66	-178.4	-174.9	-172.8	3.1	112.9	N171 M222 R223 N224	N171-R220 PolarHBondContact O-NE 3.35Å; N171-R220 PolarHBondContact OD1-NH2 3.46Å; R220-M222 PolarHBondContact O-N 3.36Å; R220-R223 WeakPolarHBondContact O-CB 3.4Å; R220-R223 PolarHBondContact O-N 2.82Å; R220-N224 VanDerWaalsContact O-CG 3.26Å; R220-N224 PolarHBondContact O-N 3.14Å; R220-N224 PolarHBondContact O-OD1 2.93Å
221	C	88	Confident	90.9	Very high	56 Å²	56	61.9 Å²	61.9	38%	0.378	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-43.7	179.1	59	0	0	0	0	112.6	P219 N224 R225	P219-C221 VanDerWaalsContact C-N 3.3Å; P219-C221 PolarHBondContact O-N 2.94Å; C221-N224 PolarHBondContact O-N 3.17Å; C221-R225 WeakPolarHBondContact O-CB 3.23Å; C221-R225 PolarHBondContact O-N 3.42Å
222	M	88.1	Confident	91	Very high	9 Å²	9	61.1 Å²	61.1	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-71.4	-34.3	177.5	-69.8	-53	119.5	0	0	112.1	Q183 C186 P219 R220 N224 R225 I226	Q183-M222 HydrophobicContact CG-SD 3.74Å; C186-M222 HydrophobicContact CB-CG 4.44Å; P219-M222 PolarHBondContact O-N 2.89Å; P219-M222 VanDerWaalsContact O-N 3.11Å; R220-M222 PolarHBondContact O-N 3.36Å; M222-N224 VanDerWaalsContact C-N 3.33Å; M222-N224 PolarHBondContact O-N 3.35Å; M222-R225 PolarHBondContact O-N 3.15Å; M222-I226 VanDerWaalsContact O-CG1 3.32Å; M222-I226 WeakPolarHBondContact O-CG1 3.4Å; M222-I226 PolarHBondContact O-N 3.15Å
223	R	89.4	Confident	91	Very high	79 Å²	79	61.1 Å²	61.1	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-46.7	173.6	-157.4	-176.1	-58.7	155.4	6.2	110.7	K215 L218 P219 R220 I226 Q227	K215-R223 HydrophobicContact CB-CG 4.08Å; K215-R223 PolarHBondContact O-NE 3.06Å; L218-R223 PolarHBondContact O-NH2 3.04Å; P219-R223 WeakPolarHBondContact O-CB 3.43Å; P219-R223 PolarHBondContact O-N 3.49Å; R220-R223 WeakPolarHBondContact O-CB 3.4Å; R220-R223 PolarHBondContact O-N 2.82Å; R223-I226 PolarHBondContact O-N 3.16Å; R223-Q227 WeakPolarHBondContact O-CG 3.45Å; R223-Q227 PolarHBondContact O-N 3.34Å
224	N	88.6	Confident	91	Very high	102 Å²	102	62 Å²	62	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-47.3	177.4	-67.6	-9	0	0	0	111.2	R220 C221 M222 I226 Q227 E228	R220-N224 VanDerWaalsContact O-CG 3.26Å; R220-N224 PolarHBondContact O-N 3.14Å; R220-N224 PolarHBondContact O-OD1 2.93Å; C221-N224 PolarHBondContact O-N 3.17Å; M222-N224 VanDerWaalsContact C-N 3.33Å; M222-N224 PolarHBondContact O-N 3.35Å; N224-I226 VanDerWaalsContact C-N 3.33Å; N224-I226 PolarHBondContact O-N 2.92Å; N224-Q227 WeakPolarHBondContact O-CA 3.46Å; N224-Q227 VanDerWaalsContact O-CB 3.32Å; N224-Q227 WeakPolarHBondContact O-CB 3.33Å; N224-Q227 PolarHBondContact O-N 3.18Å; N224-E228 PolarHBondContact O-N 3.02Å; N224-E228 VanDerWaalsContact O-N 3.14Å
225	R	86.8	Confident	90.9	Very high	57 Å²	57	68.5 Å²	68.5	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-61.3	-38.3	178.6	-168.2	165.9	178.8	-161.1	6.8	113.6	V178 Q183 C221 M222 Q227 E228	V178-R225 VanDerWaalsContact C-NH1 3.34Å; V178-R225 VanDerWaalsContact CG1-CZ 3.46Å; V178-R225 PolarHBondContact O-NH1 3.3Å; V178-R225 PolarHBondContact O-NH2 2.86Å; V178-R225 VanDerWaalsContact O-NH2 3.07Å; Q183-R225 VanDerWaalsContact NE2-CD 3.3Å; Q183-R225 VanDerWaalsContact NE2-NE 3.14Å; C221-R225 WeakPolarHBondContact O-CB 3.23Å; C221-R225 PolarHBondContact O-N 3.42Å; M222-R225 PolarHBondContact O-N 3.15Å; R225-Q227 PolarHBondContact O-N 2.82Å; R225-E228 WeakPolarHBondContact O-CB 3.38Å; R225-E228 PolarHBondContact O-N 3.31Å
226	I	88.2	Confident	90.9	Very high	11 Å²	11	75.4 Å²	75.4	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-32.1	173.7	-71	171.3	0	0	0	111	Y214 L218 M222 R223 N224 Y229 R234	Y214-I226 HydrophobicContact CE2-CD1 4.31Å; L218-I226 HydrophobicContact CD1-CD1 3.49Å; L218-I226 VanDerWaalsContact CD1-CD1 3.49Å; M222-I226 VanDerWaalsContact O-CG1 3.32Å; M222-I226 WeakPolarHBondContact O-CG1 3.4Å; M222-I226 PolarHBondContact O-N 3.15Å; R223-I226 PolarHBondContact O-N 3.16Å; N224-I226 VanDerWaalsContact C-N 3.33Å; N224-I226 PolarHBondContact O-N 2.92Å; I226-Y229 PolarHBondContact O-N 3.33Å; I226-R234 HydrophobicContact CG2-CG 4.39Å; I226-R234 WeakPolarHBondContact O-CD 3.49Å; I226-R234 WeakPolarHBondContact O-CG 3.26Å
227	Q	89.9	Confident	90.8	Very high	89 Å²	89	74.8 Å²	74.8	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-73.6	-27.9	177.4	-62.1	-68.2	12.7	0	0	113.3	R223 N224 R225 Y229	R223-Q227 WeakPolarHBondContact O-CG 3.45Å; R223-Q227 PolarHBondContact O-N 3.34Å; N224-Q227 WeakPolarHBondContact O-CA 3.46Å; N224-Q227 VanDerWaalsContact O-CB 3.32Å; N224-Q227 WeakPolarHBondContact O-CB 3.33Å; N224-Q227 PolarHBondContact O-N 3.18Å; R225-Q227 PolarHBondContact O-N 2.82Å; Q227-Y229 PolarHBondContact O-N 2.87Å
228	E	90.8	Very high	90.7	Very high	155 Å²	155	80.7 Å²	80.7	72%	0.724	37%	0.366	S	S	*	.	H	α-helix	trans	-67.7	-23.8	174.9	-66.8	166.6	-171.4	0	0	112.5	N224 R225	N224-E228 PolarHBondContact O-N 3.02Å; N224-E228 VanDerWaalsContact O-N 3.14Å; R225-E228 WeakPolarHBondContact O-CB 3.38Å; R225-E228 PolarHBondContact O-N 3.31Å
229	Y	91.6	Very high	90.7	Very high	71 Å²	71	88.1 Å²	88.1	28%	0.278	40%	0.395	S	S	.	.	S	Bend	trans	-68	149.3	177	-69.5	-51.6	0	0	0	113.4	Q183 I226 Q227 T233 R234 I237	Q183-Y229 PolarHBondContact NE2-OH 3.11Å; Q183-Y229 PolarHBondContact OE1-OH 3.09Å; I226-Y229 PolarHBondContact O-N 3.33Å; Q227-Y229 PolarHBondContact O-N 2.87Å; Y229-T233 HydrophobicContact CD1-CG2 4.3Å; Y229-T233 HydrophobicContact CD2-CG2 4.33Å; Y229-T233 HydrophobicContact CG-CG2 4Å; Y229-R234 PolarHBondContact O-NE 2.87Å; Y229-I237 HydrophobicContact CD2-CD1 4.08Å; Y229-I237 HydrophobicContact CE2-CD1 4.38Å
230	N	93.8	Very high	90.6	Very high	94 Å²	94	96.2 Å²	96.2	50%	0.503	43%	0.426	S	S	.	.			trans	-58.6	158.8	173.1	73.8	51.8	0	0	0	112.3	L232 T233 R234	N230-L232 VanDerWaalsContact C-N 3.28Å; N230-L232 PolarHBondContact O-N 3.43Å; N230-L232 PolarHBondContact OD1-N 2.85Å; N230-L232 VanDerWaalsContact OD1-N 3.15Å; N230-T233 PolarHBondContact ND2-OG1 2.92Å; N230-T233 PolarHBondContact O-N 2.71Å; N230-T233 PolarHBondContact OD1-N 3.32Å; N230-T233 PolarHBondContact OD1-OG1 3.47Å; N230-T233 VanDerWaalsContact OD1-OG1 3.06Å; N230-R234 PolarHBondContact O-N 3.32Å
231	L	93.3	Very high	90.8	Very high	105 Å²	105	90.2 Å²	90.2	55%	0.55	40%	0.404	S	S	.	.	H	α-helix	trans	-58.7	-36.7	-173.7	-172.7	70	0	0	0	113.1	K235	L231-K235 WeakPolarHBondContact O-CG 3.21Å; L231-K235 PolarHBondContact O-N 2.95Å
232	L	93.4	Very high	90.9	Very high	124 Å²	124	93.1 Å²	93.1	65%	0.649	41%	0.406	S	S	*	.	H	α-helix	trans	-67.6	-45.3	-179.4	-65.5	174.2	0	0	0	111.2	N230 K235 R236	N230-L232 VanDerWaalsContact C-N 3.28Å; N230-L232 PolarHBondContact O-N 3.43Å; N230-L232 PolarHBondContact OD1-N 2.85Å; N230-L232 VanDerWaalsContact OD1-N 3.15Å; L232-K235 PolarHBondContact O-N 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.29Å; L232-R236 PolarHBondContact O-N 2.87Å
233	T	91.2	Very high	90.9	Very high	44 Å²	44	98.4 Å²	98.4	27%	0.27	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.4	-57	0	0	0	0	110.8	Y229 N230 K235 R236 I237	Y229-T233 HydrophobicContact CD1-CG2 4.3Å; Y229-T233 HydrophobicContact CD2-CG2 4.33Å; Y229-T233 HydrophobicContact CG-CG2 4Å; N230-T233 PolarHBondContact ND2-OG1 2.92Å; N230-T233 PolarHBondContact O-N 2.71Å; N230-T233 PolarHBondContact OD1-N 3.32Å; N230-T233 PolarHBondContact OD1-OG1 3.47Å; N230-T233 VanDerWaalsContact OD1-OG1 3.06Å; T233-K235 VanDerWaalsContact C-N 3.35Å; T233-K235 PolarHBondContact O-N 2.91Å; T233-R236 WeakPolarHBondContact O-CB 3.47Å; T233-R236 PolarHBondContact O-N 3.34Å; T233-R236 VanDerWaalsContact O-N 3.15Å; T233-I237 HydrophobicContact CG2-CD1 4.11Å; T233-I237 WeakPolarHBondContact O-CG1 3.34Å; T233-I237 PolarHBondContact O-N 3.34Å
234	R	92.7	Very high	90.9	Very high	76 Å²	76	99.2 Å²	99.2	29%	0.287	43%	0.432	S	S	.	.	H	α-helix	trans	-59.3	-42.1	175.3	-73.5	-171.9	-80.2	167.7	1.6	112.8	I226 Y229 N230 R238	I226-R234 HydrophobicContact CG2-CG 4.39Å; I226-R234 WeakPolarHBondContact O-CD 3.49Å; I226-R234 WeakPolarHBondContact O-CG 3.26Å; Y229-R234 PolarHBondContact O-NE 2.87Å; N230-R234 PolarHBondContact O-N 3.32Å; R234-R238 PolarHBondContact O-N 3Å; R234-R238 VanDerWaalsContact O-N 3.09Å
235	K	91.4	Very high	90.9	Very high	140 Å²	140	94.4 Å²	94.4	61%	0.609	41%	0.406	S	S	*	.	H	α-helix	trans	-64.4	-40.6	174.6	-78.3	-173.8	177.1	-176.6	0	112	L231 L232 T233 R238 Y239	L231-K235 WeakPolarHBondContact O-CG 3.21Å; L231-K235 PolarHBondContact O-N 2.95Å; L232-K235 PolarHBondContact O-N 3.28Å; T233-K235 VanDerWaalsContact C-N 3.35Å; T233-K235 PolarHBondContact O-N 2.91Å; K235-R238 PolarHBondContact O-N 2.96Å; K235-Y239 WeakPolarHBondContact O-CB 3.16Å; K235-Y239 PolarHBondContact O-N 2.8Å
236	R	91.6	Very high	90.9	Very high	183 Å²	183	95.9 Å²	95.9	69%	0.691	42%	0.416	S	S	*	.	H	α-helix	trans	-63.1	-44.8	176.6	-75.4	177.5	176.1	-174.4	-0.5	112.4	L232 T233 Y239 R240	L232-R236 WeakPolarHBondContact O-CG 3.29Å; L232-R236 PolarHBondContact O-N 2.87Å; T233-R236 WeakPolarHBondContact O-CB 3.47Å; T233-R236 PolarHBondContact O-N 3.34Å; T233-R236 VanDerWaalsContact O-N 3.15Å; R236-Y239 PolarHBondContact O-N 3.42Å; R236-R240 PolarHBondContact O-N 2.79Å
237	I	90.9	Very high	90.7	Very high	34 Å²	34	100.4 Å²	100.4	17%	0.174	44%	0.436	C	S	.	.	H	α-helix	trans	-59.4	-50.2	175.9	-66.3	166.9	0	0	0	109.7	L187 Y214 Y229 T233 Y239 R240 F241	L187-I237 HydrophobicContact CD1-CG2 4.38Å; L187-I237 HydrophobicContact CD2-CG2 4.38Å; Y214-I237 HydrophobicContact CE2-CG2 4.41Å; Y229-I237 HydrophobicContact CD2-CD1 4.08Å; Y229-I237 HydrophobicContact CE2-CD1 4.38Å; T233-I237 HydrophobicContact CG2-CD1 4.11Å; T233-I237 WeakPolarHBondContact O-CG1 3.34Å; T233-I237 PolarHBondContact O-N 3.34Å; I237-Y239 VanDerWaalsContact C-N 3.33Å; I237-Y239 PolarHBondContact O-N 2.92Å; I237-R240 PolarHBondContact O-N 2.85Å; I237-F241 WeakPolarHBondContact O-CB 3.34Å; I237-F241 PolarHBondContact O-N 2.94Å
238	R	92	Very high	90.2	Very high	130 Å²	130	100.7 Å²	100.7	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-42.8	178.4	-174.2	175.8	179.8	132.1	3.8	112.4	Y209 Y214 R234 K235 R242	Y209-R238 WeakPolarHBondContact OH-CG 3.45Å; Y209-R238 PolarHBondContact OH-NE 3.34Å; Y209-R238 VanDerWaalsContact OH-NE 3.14Å; Y214-R238 HydrophobicContact CE1-CB 4.27Å; Y214-R238 HydrophobicContact CE1-CG 4.26Å; R234-R238 PolarHBondContact O-N 3Å; R234-R238 VanDerWaalsContact O-N 3.09Å; K235-R238 PolarHBondContact O-N 2.96Å; R238-R242 PolarHBondContact O-N 3.03Å
239	Y	91.3	Very high	89.5	Confident	158 Å²	158	95.8 Å²	95.8	62%	0.62	42%	0.419	S	S	*	.	H	α-helix	trans	-63.3	-47.8	177.7	175.7	-96.2	0	0	0	111.9	K235 R236 I237 R242 R243	K235-Y239 WeakPolarHBondContact O-CB 3.16Å; K235-Y239 PolarHBondContact O-N 2.8Å; R236-Y239 PolarHBondContact O-N 3.42Å; I237-Y239 VanDerWaalsContact C-N 3.33Å; I237-Y239 PolarHBondContact O-N 2.92Å; Y239-R242 PolarHBondContact O-N 3.13Å; Y239-R243 PolarHBondContact O-N 3.19Å; Y239-R243 VanDerWaalsContact O-N 3.08Å
240	R	90.8	Very high	88.6	Confident	170 Å²	170	100.8 Å²	100.8	64%	0.642	45%	0.445	S	S	*	.	H	α-helix	trans	-62.1	-45	176.8	-78.5	-170.4	175.2	164.3	-2	111.6	R236 I237 R242 R243 F244	R236-R240 PolarHBondContact O-N 2.79Å; I237-R240 PolarHBondContact O-N 2.85Å; R240-R242 PolarHBondContact O-N 3.39Å; R240-R243 WeakPolarHBondContact O-CB 3.22Å; R240-R243 PolarHBondContact O-N 2.9Å; R240-R243 VanDerWaalsContact O-N 3.14Å; R240-F244 WeakPolarHBondContact O-CD2 3.35Å; R240-F244 PolarHBondContact O-N 3.48Å
241	F	92.6	Very high	88	Confident	8 Å²	8	98.8 Å²	98.8	4%	0.035	44%	0.438	C	S	.	.	H	α-helix	trans	-58	-47.2	178.6	-166	-83	0	0	0	111.8	L187 A190 V191 M194 Y209 Y214 I237 R243 F244 I245	L187-F241 HydrophobicContact CD2-CD2 3.92Å; L187-F241 HydrophobicContact CD2-CE2 4.18Å; L187-F241 WeakPolarHBondContact O-CE2 3.48Å; A190-F241 HydrophobicContact CB-CE2 3.94Å; A190-F241 HydrophobicContact CB-CZ 3.93Å; V191-F241 HydrophobicContact CG2-CD2 4.25Å; V191-F241 HydrophobicContact CG2-CE1 4.26Å; V191-F241 HydrophobicContact CG2-CE2 3.63Å; V191-F241 HydrophobicContact CG2-CZ 3.63Å; M194-F241 HydrophobicContact SD-CE1 3.59Å; M194-F241 VanDerWaalsContact SD-CE1 3.59Å; M194-F241 HydrophobicContact SD-CZ 3.82Å; Y209-F241 HydrophobicContact CD2-CD1 4.06Å; Y209-F241 HydrophobicContact CD2-CE1 4.22Å; Y209-F241 AromaticContact CE2-CD1 3.91Å; Y209-F241 HydrophobicContact CE2-CD1 3.91Å; Y209-F241 HydrophobicContact CE2-CE1 4.47Å; Y214-F241 VanDerWaalsContact CB-CE1 3.41Å; Y214-F241 HydrophobicContact CD2-CD2 4.13Å; Y214-F241 HydrophobicContact CD2-CE2 4.19Å; Y214-F241 HydrophobicContact CD2-CG 4.33Å; Y214-F241 HydrophobicContact CD2-CZ 4.48Å; Y214-F241 HydrophobicContact CG-CD1 4.09Å; Y214-F241 HydrophobicContact CG-CD2 4.43Å; Y214-F241 HydrophobicContact CG-CE1 4.19Å; Y214-F241 HydrophobicContact CG-CE2 4.49Å; Y214-F241 HydrophobicContact CG-CG 4.22Å; Y214-F241 HydrophobicContact CG-CZ 4.38Å; I237-F241 WeakPolarHBondContact O-CB 3.34Å; I237-F241 PolarHBondContact O-N 2.94Å; F241-R243 VanDerWaalsContact C-N 3.32Å; F241-R243 PolarHBondContact O-N 3.11Å; F241-F244 PolarHBondContact O-N 2.99Å; F241-I245 HydrophobicContact CD1-CG1 3.98Å; F241-I245 HydrophobicContact CE1-CD1 4.03Å; F241-I245 HydrophobicContact CE1-CG1 3.7Å; F241-I245 PolarHBondContact O-N 2.96Å
242	R	91.2	Very high	87.5	Confident	116 Å²	116	103.5 Å²	103.5	44%	0.438	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-41.5	175.6	-173.5	-177.6	178.6	-157.9	0.8	112.1	Y209 R238 Y239 R240 F244 I245 Q246	Y209-R242 HydrophobicContact CD1-CG 4.4Å; Y209-R242 HydrophobicContact CE1-CB 4.14Å; Y209-R242 HydrophobicContact CE1-CG 3.92Å; Y209-R242 HydrophobicContact CE2-CB 4.49Å; R238-R242 PolarHBondContact O-N 3.03Å; Y239-R242 PolarHBondContact O-N 3.13Å; R240-R242 PolarHBondContact O-N 3.39Å; R242-F244 VanDerWaalsContact C-N 3.33Å; R242-F244 PolarHBondContact O-N 3.2Å; R242-I245 PolarHBondContact O-N 2.99Å; R242-Q246 WeakPolarHBondContact O-CG 3.47Å; R242-Q246 PolarHBondContact O-N 2.59Å
243	R	88.4	Confident	87.2	Confident	121 Å²	121	98.7 Å²	98.7	46%	0.457	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-40.4	178.1	-161.2	-178.6	83.8	168.9	6	111.5	Y239 R240 F241 Q246 Q247	Y239-R243 PolarHBondContact O-N 3.19Å; Y239-R243 VanDerWaalsContact O-N 3.08Å; R240-R243 WeakPolarHBondContact O-CB 3.22Å; R240-R243 PolarHBondContact O-N 2.9Å; R240-R243 VanDerWaalsContact O-N 3.14Å; F241-R243 VanDerWaalsContact C-N 3.32Å; F241-R243 PolarHBondContact O-N 3.11Å; R243-Q246 PolarHBondContact O-N 3.08Å; R243-Q247 VanDerWaalsContact O-CG 3.3Å; R243-Q247 WeakPolarHBondContact O-CG 3.42Å; R243-Q247 PolarHBondContact O-N 3.11Å
244	F	88.2	Confident	87.2	Confident	96 Å²	96	100 Å²	100	42%	0.421	44%	0.44	S	S	.	.	H	α-helix	trans	-63.2	-47.8	174.5	-88.9	-75.9	0	0	0	111.9	R240 F241 R242 Q246 Q247 F248	R240-F244 WeakPolarHBondContact O-CD2 3.35Å; R240-F244 PolarHBondContact O-N 3.48Å; F241-F244 PolarHBondContact O-N 2.99Å; R242-F244 VanDerWaalsContact C-N 3.33Å; R242-F244 PolarHBondContact O-N 3.2Å; F244-Q246 VanDerWaalsContact C-N 3.28Å; F244-Q246 PolarHBondContact O-N 2.86Å; F244-Q247 PolarHBondContact O-N 3.09Å; F244-F248 HydrophobicContact CD1-CD2 4.34Å; F244-F248 AromaticContact CD1-CE2 3.99Å; F244-F248 HydrophobicContact CD1-CE2 3.99Å; F244-F248 WeakPolarHBondContact O-CD2 3.18Å; F244-F248 PolarHBondContact O-N 2.84Å
245	I	89.3	Confident	87.2	Confident	1 Å²	1	98.3 Å²	98.3	1%	0.005	44%	0.438	C	S	.	.	H	α-helix	trans	-55.6	-44.5	176.3	-69.6	-73.3	0	0	0	111.2	V191 M194 P205 V206 F241 R242 F248 S249	V191-I245 HydrophobicContact CB-CD1 4.33Å; V191-I245 HydrophobicContact CG1-CD1 4.01Å; V191-I245 HydrophobicContact CG2-CD1 4.15Å; M194-I245 HydrophobicContact CB-CD1 4.21Å; M194-I245 HydrophobicContact SD-CD1 4.4Å; P205-I245 HydrophobicContact CB-CG2 3.75Å; V206-I245 HydrophobicContact CG2-CG2 4.3Å; F241-I245 HydrophobicContact CD1-CG1 3.98Å; F241-I245 HydrophobicContact CE1-CD1 4.03Å; F241-I245 HydrophobicContact CE1-CG1 3.7Å; F241-I245 PolarHBondContact O-N 2.96Å; R242-I245 PolarHBondContact O-N 2.99Å; I245-F248 PolarHBondContact O-N 3.1Å; I245-S249 PolarHBondContact O-N 2.94Å; I245-S249 PolarHBondContact O-OG 2.8Å
246	Q	86.8	Confident	87.1	Confident	88 Å²	88	94 Å²	94	41%	0.411	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-44.4	178.3	-73.6	174.9	-31.3	0	0	112.7	V206 R242 R243 F244 F248 S249	V206-Q246 HydrophobicContact CG2-CG 4.12Å; R242-Q246 WeakPolarHBondContact O-CG 3.47Å; R242-Q246 PolarHBondContact O-N 2.59Å; R243-Q246 PolarHBondContact O-N 3.08Å; F244-Q246 VanDerWaalsContact C-N 3.28Å; F244-Q246 PolarHBondContact O-N 2.86Å; Q246-F248 VanDerWaalsContact C-N 3.3Å; Q246-F248 PolarHBondContact O-N 3.3Å; Q246-S249 WeakPolarHBondContact CA-OG 3.41Å; Q246-S249 WeakPolarHBondContact O-CB 3.23Å; Q246-S249 PolarHBondContact O-N 3.41Å; Q246-S249 PolarHBondContact O-OG 3.42Å
247	Q	84.4	Confident	87.2	Confident	105 Å²	105	89.1 Å²	89.1	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-34.3	179	-74.3	175.8	-22.6	0	0	112.7	R243 F244	R243-Q247 VanDerWaalsContact O-CG 3.3Å; R243-Q247 WeakPolarHBondContact O-CG 3.42Å; R243-Q247 PolarHBondContact O-N 3.11Å; F244-Q247 PolarHBondContact O-N 3.09Å
248	F	79	Confident	87.3	Confident	95 Å²	95	87.9 Å²	87.9	42%	0.417	41%	0.406	S	S	.	.	H	α-helix	trans	-88.8	-3.2	-177.9	-83.4	-90.2	0	0	0	114.3	M195 F244 I245 Q246 E250 C251	M195-F248 HydrophobicContact CE-CB 3.91Å; M195-F248 WeakPolarHBondContact CE-O 3.41Å; M195-F248 HydrophobicContact SD-CB 3.72Å; M195-F248 HydrophobicContact SD-CD1 4.44Å; M195-F248 HydrophobicContact SD-CG 4.36Å; F244-F248 HydrophobicContact CD1-CD2 4.34Å; F244-F248 AromaticContact CD1-CE2 3.99Å; F244-F248 HydrophobicContact CD1-CE2 3.99Å; F244-F248 WeakPolarHBondContact O-CD2 3.18Å; F244-F248 PolarHBondContact O-N 2.84Å; I245-F248 PolarHBondContact O-N 3.1Å; Q246-F248 VanDerWaalsContact C-N 3.3Å; Q246-F248 PolarHBondContact O-N 3.3Å; F248-E250 PolarHBondContact O-N 3.47Å; F248-E250 VanDerWaalsContact O-N 3.17Å; F248-C251 HydrophobicContact CD1-CB 4.3Å; F248-C251 WeakPolarHBondContact O-CB 3.48Å; F248-C251 PolarHBondContact O-N 2.74Å
249	S	75.1	Confident	87.5	Confident	52 Å²	52	82.7 Å²	82.7	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.3	175.7	-36.3	0	0	0	0	113.1	I245 Q246	I245-S249 PolarHBondContact O-N 2.94Å; I245-S249 PolarHBondContact O-OG 2.8Å; Q246-S249 WeakPolarHBondContact CA-OG 3.41Å; Q246-S249 WeakPolarHBondContact O-CB 3.23Å; Q246-S249 PolarHBondContact O-N 3.41Å; Q246-S249 PolarHBondContact O-OG 3.42Å
250	E	74.1	Confident	87.6	Confident	177 Å²	177	77.2 Å²	77.2	83%	0.827	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.4	-178.9	-61.2	-177.4	175.4	0	0	113.3	F248 K252	F248-E250 PolarHBondContact O-N 3.47Å; F248-E250 VanDerWaalsContact O-N 3.17Å; E250-K252 PolarHBondContact O-N 3.25Å
251	C	80.1	Confident	87.7	Confident	51 Å²	51	73.4 Å²	73.4	35%	0.345	36%	0.356	S	S	.	.			trans	-71.4	127.5	-177.8	-173.7	0	0	0	0	111.8	M195 F248 A253	M195-C251 HydrophobicContact CE-CB 4.01Å; F248-C251 HydrophobicContact CD1-CB 4.3Å; F248-C251 WeakPolarHBondContact O-CB 3.48Å; F248-C251 PolarHBondContact O-N 2.74Å; C251-A253 PolarHBondContact O-N 3.35Å; C251-A253 VanDerWaalsContact O-N 3.12Å
252	K	82.9	Confident	87.9	Confident	204 Å²	204	73 Å²	73	89%	0.887	36%	0.355	S	S	*	.			trans	-80.2	24.8	179.6	-63.8	-173.7	179	-178.8	0	114.4	E250	E250-K252 PolarHBondContact O-N 3.25Å
253	A	87.8	Confident	88	Confident	23 Å²	23	67.5 Å²	67.5	19%	0.19	33%	0.334	C	S	.	.			trans	-72	138.3	-179.4	0	0	0	0	0	112	C251 L258	C251-A253 PolarHBondContact O-N 3.35Å; C251-A253 VanDerWaalsContact O-N 3.12Å; A253-L258 HydrophobicContact CB-CD2 4Å; A253-L258 HydrophobicContact CB-CG 4.1Å
254	T	91.3	Very high	88.2	Confident	72 Å²	72	63.9 Å²	63.9	44%	0.442	32%	0.323	S	S	.	.			trans	-79.1	161.6	172	69.3	0	0	0	0	111.2	C256 N257 L258	T254-C256 PolarHBondContact O-N 3.39Å; T254-N257 PolarHBondContact N-OD1 3.4Å; T254-N257 PolarHBondContact O-N 2.91Å; T254-N257 VanDerWaalsContact O-N 3.11Å; T254-N257 PolarHBondContact OG1-N 3.46Å; T254-N257 VanDerWaalsContact OG1-N 3.16Å; T254-N257 PolarHBondContact OG1-OD1 2.97Å; T254-L258 WeakPolarHBondContact O-CG 3.28Å; T254-L258 PolarHBondContact O-N 3.16Å
255	V	91.4	Very high	88.5	Confident	41 Å²	41	60.1 Å²	60.1	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-55	-41.3	173.4	176.2	0	0	0	0	111.1	R196 K199 E200 L258 K259	R196-V255 HydrophobicContact CG-CG1 4.1Å; K199-V255 HydrophobicContact CB-CG2 3.62Å; E200-V255 HydrophobicContact CG-CG1 3.78Å; E200-V255 HydrophobicContact CG-CG2 4.01Å; E200-V255 WeakPolarHBondContact OE1-CG1 3.45Å; V255-L258 PolarHBondContact O-N 3.32Å; V255-K259 HydrophobicContact CG1-CD 4.27Å; V255-K259 WeakPolarHBondContact O-CG 3.26Å; V255-K259 PolarHBondContact O-N 2.86Å
256	C	91.1	Very high	88.6	Confident	48 Å²	48	60.2 Å²	60.2	32%	0.324	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-45.9	176.9	-172.2	0	0	0	0	111.6	M158 T254 L258 K259 L260	M158-C256 VanDerWaalsContact CE-SG 3.58Å; T254-C256 PolarHBondContact O-N 3.39Å; C256-L258 VanDerWaalsContact C-N 3.33Å; C256-L258 PolarHBondContact O-N 2.91Å; C256-K259 PolarHBondContact O-N 3.16Å; C256-L260 WeakPolarHBondContact O-CB 3.37Å; C256-L260 PolarHBondContact O-N 2.95Å
257	N	92.1	Very high	88.9	Confident	82 Å²	82	56.7 Å²	56.7	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-36.8	179	-55.6	136.1	0	0	0	112.2	T254 K261	T254-N257 PolarHBondContact N-OD1 3.4Å; T254-N257 PolarHBondContact O-N 2.91Å; T254-N257 VanDerWaalsContact O-N 3.11Å; T254-N257 PolarHBondContact OG1-N 3.46Å; T254-N257 VanDerWaalsContact OG1-N 3.16Å; T254-N257 PolarHBondContact OG1-OD1 2.97Å; N257-K261 VanDerWaalsContact O-CB 3.26Å; N257-K261 WeakPolarHBondContact O-CB 3.45Å; N257-K261 PolarHBondContact O-N 3.45Å
258	L	94.1	Very high	89.1	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-44.8	177	-66.6	170.4	0	0	0	111.6	L192 M195 R196 K199 A253 T254 V255 C256 K261 Y262	L192-L258 HydrophobicContact CD2-CD2 3.98Å; M195-L258 HydrophobicContact CB-CD1 3.95Å; M195-L258 HydrophobicContact CB-CD2 4.27Å; M195-L258 HydrophobicContact CE-CD2 4.34Å; R196-L258 HydrophobicContact CB-CB 4.31Å; R196-L258 HydrophobicContact CB-CD1 4.38Å; K199-L258 HydrophobicContact CG-CD1 4.41Å; A253-L258 HydrophobicContact CB-CD2 4Å; A253-L258 HydrophobicContact CB-CG 4.1Å; T254-L258 WeakPolarHBondContact O-CG 3.28Å; T254-L258 PolarHBondContact O-N 3.16Å; V255-L258 PolarHBondContact O-N 3.32Å; C256-L258 VanDerWaalsContact C-N 3.33Å; C256-L258 PolarHBondContact O-N 2.91Å; L258-K261 PolarHBondContact O-N 3Å; L258-Y262 WeakPolarHBondContact O-CB 3.48Å; L258-Y262 PolarHBondContact O-N 2.79Å
259	K	95.2	Very high	89.6	Confident	21 Å²	21	54.1 Å²	54.1	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-46.3	174.6	-71.9	-177.2	178.4	173.8	0	111.7	M158 F162 R196 E200 V255 C256 Y262 L263	M158-K259 HydrophobicContact CE-CB 4.26Å; F162-K259 HydrophobicContact CB-CB 4.26Å; F162-K259 HydrophobicContact CB-CD 4.27Å; F162-K259 HydrophobicContact CB-CG 4.32Å; F162-K259 HydrophobicContact CD1-CD 3.85Å; F162-K259 HydrophobicContact CD1-CG 3.86Å; F162-K259 HydrophobicContact CD2-CB 3.83Å; F162-K259 HydrophobicContact CD2-CG 3.78Å; F162-K259 HydrophobicContact CE1-CD 4.39Å; F162-K259 HydrophobicContact CE1-CG 4.14Å; F162-K259 HydrophobicContact CE2-CB 4.4Å; F162-K259 HydrophobicContact CE2-CG 4.05Å; F162-K259 HydrophobicContact CG-CB 3.96Å; F162-K259 HydrophobicContact CG-CD 3.94Å; F162-K259 HydrophobicContact CG-CG 3.69Å; F162-K259 HydrophobicContact CZ-CG 4.24Å; R196-K259 HydrophobicContact CG-CG 4.31Å; E200-K259 WeakPolarHBondContact OE1-CE 3.3Å; E200-K259 IonicContact OE1-NZ 2.72Å; E200-K259 PolarHBondContact OE1-NZ 3.02Å; V255-K259 HydrophobicContact CG1-CD 4.27Å; V255-K259 WeakPolarHBondContact O-CG 3.26Å; V255-K259 PolarHBondContact O-N 2.86Å; C256-K259 PolarHBondContact O-N 3.16Å; K259-Y262 WeakPolarHBondContact O-CB 3.33Å; K259-Y262 PolarHBondContact O-N 3.17Å; K259-L263 WeakPolarHBondContact O-CG 3.32Å; K259-L263 PolarHBondContact O-N 3.08Å
260	L	93.4	Very high	90.2	Very high	42 Å²	42	51.9 Å²	51.9	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-47.6	177.8	-179.1	60.4	0	0	0	111.3	W130 Y131 M158 C256 Y262 L263 M264	W130-L260 HydrophobicContact CH2-CD1 3.85Å; W130-L260 HydrophobicContact CZ2-CD1 3.97Å; Y131-L260 HydrophobicContact CD1-CD1 4.49Å; Y131-L260 HydrophobicContact CG-CD1 4.29Å; M158-L260 HydrophobicContact SD-CB 4.15Å; M158-L260 HydrophobicContact SD-CD1 4.41Å; C256-L260 WeakPolarHBondContact O-CB 3.37Å; C256-L260 PolarHBondContact O-N 2.95Å; L260-Y262 VanDerWaalsContact C-N 3.27Å; L260-Y262 PolarHBondContact O-N 3.47Å; L260-L263 WeakPolarHBondContact O-CB 3.46Å; L260-L263 PolarHBondContact O-N 2.9Å; L260-L263 VanDerWaalsContact O-N 3.14Å; L260-M264 HydrophobicContact CD1-CG 4.43Å; L260-M264 HydrophobicContact CG-CG 4.46Å; L260-M264 HydrophobicContact CG-SD 4.15Å; L260-M264 VanDerWaalsContact O-CG 3.26Å; L260-M264 WeakPolarHBondContact O-CG 3.38Å; L260-M264 PolarHBondContact O-N 3.39Å
261	K	93.5	Very high	90.7	Very high	90 Å²	90	46.3 Å²	46.3	39%	0.391	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-36.6	178.6	-174.7	55.2	175.3	155	0	112.1	L192 N257 L258 M264 N265	L192-K261 HydrophobicContact CD1-CB 4.36Å; L192-K261 HydrophobicContact CD1-CG 3.93Å; L192-K261 HydrophobicContact CD2-CG 4.19Å; N257-K261 VanDerWaalsContact O-CB 3.26Å; N257-K261 WeakPolarHBondContact O-CB 3.45Å; N257-K261 PolarHBondContact O-N 3.45Å; L258-K261 PolarHBondContact O-N 3Å; K261-M264 HydrophobicContact CD-SD 4.4Å; K261-N265 WeakPolarHBondContact CE-OD1 3.42Å; K261-N265 PolarHBondContact NZ-OD1 2.86Å; K261-N265 WeakPolarHBondContact O-CB 3.34Å; K261-N265 PolarHBondContact O-N 3.13Å; K261-N265 VanDerWaalsContact O-N 3.07Å; K261-N265 PolarHBondContact O-OD1 2.92Å
262	Y	95.8	Very high	90.9	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-50	172.5	-172.2	-80.7	0	0	0	111	F162 R166 F169 M189 L192 D193 L258 K259 L260 M264 N265 L266	F162-Y262 AromaticContact CD2-CD1 3.89Å; F162-Y262 HydrophobicContact CD2-CD1 3.89Å; F162-Y262 HydrophobicContact CD2-CG 4.19Å; F162-Y262 AromaticContact CE2-CD1 3.66Å; F162-Y262 HydrophobicContact CE2-CD1 3.66Å; F162-Y262 HydrophobicContact CE2-CD2 4.19Å; F162-Y262 HydrophobicContact CE2-CE1 4.21Å; F162-Y262 AromaticContact CE2-CG 3.66Å; F162-Y262 HydrophobicContact CE2-CG 3.66Å; R166-Y262 HydrophobicContact CB-CE1 4.29Å; F169-Y262 WeakPolarHBondContact CD1-OH 3.35Å; M189-Y262 HydrophobicContact CB-CD2 4.22Å; M189-Y262 HydrophobicContact CB-CE2 3.84Å; M189-Y262 HydrophobicContact CE-CD1 3.43Å; M189-Y262 VanDerWaalsContact CE-CD1 3.43Å; M189-Y262 HydrophobicContact CE-CD2 3.59Å; M189-Y262 HydrophobicContact CE-CE1 3.38Å; M189-Y262 HydrophobicContact CE-CE2 3.55Å; M189-Y262 HydrophobicContact CE-CG 3.52Å; M189-Y262 VanDerWaalsContact CE-CZ 3.44Å; M189-Y262 WeakPolarHBondContact CE-O 3.01Å; M189-Y262 WeakPolarHBondContact O-CE2 3.39Å; M189-Y262 HydrophobicContact SD-CD1 4.38Å; M189-Y262 HydrophobicContact SD-CD2 3.68Å; M189-Y262 HydrophobicContact SD-CE2 4.03Å; M189-Y262 HydrophobicContact SD-CG 3.87Å; L192-Y262 HydrophobicContact CB-CD2 4.21Å; D193-Y262 HydrophobicContact CB-CD2 4.39Å; D193-Y262 HydrophobicContact CB-CE2 4.06Å; L258-Y262 WeakPolarHBondContact O-CB 3.48Å; L258-Y262 PolarHBondContact O-N 2.79Å; K259-Y262 WeakPolarHBondContact O-CB 3.33Å; K259-Y262 PolarHBondContact O-N 3.17Å; L260-Y262 VanDerWaalsContact C-N 3.27Å; L260-Y262 PolarHBondContact O-N 3.47Å; Y262-M264 PolarHBondContact O-N 3.04Å; Y262-N265 PolarHBondContact O-N 3.44Å; Y262-L266 PolarHBondContact O-N 2.98Å
263	L	95.1	Very high	91.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.9	-45.4	177.7	-72	171	0	0	0	112.5	M158 L161 F162 W165 K259 L260 N265 L266 E267	M158-L263 HydrophobicContact CG-CD1 3.77Å; L161-L263 HydrophobicContact CD2-CD1 4.05Å; L161-L263 HydrophobicContact CD2-CD2 4.03Å; L161-L263 HydrophobicContact CG-CD1 4.39Å; L161-L263 HydrophobicContact CG-CD2 3.86Å; F162-L263 HydrophobicContact CB-CD1 4.29Å; F162-L263 HydrophobicContact CB-CD2 4.46Å; F162-L263 HydrophobicContact CB-CG 4.39Å; W165-L263 HydrophobicContact CB-CD2 4.27Å; W165-L263 HydrophobicContact CD2-CD2 3.99Å; W165-L263 HydrophobicContact CE3-CD2 3.49Å; W165-L263 VanDerWaalsContact CE3-CD2 3.49Å; W165-L263 HydrophobicContact CG-CD2 4.33Å; W165-L263 HydrophobicContact CZ3-CD2 4.16Å; K259-L263 WeakPolarHBondContact O-CG 3.32Å; K259-L263 PolarHBondContact O-N 3.08Å; L260-L263 WeakPolarHBondContact O-CB 3.46Å; L260-L263 PolarHBondContact O-N 2.9Å; L260-L263 VanDerWaalsContact O-N 3.14Å; L263-N265 PolarHBondContact O-N 3.21Å; L263-L266 PolarHBondContact O-N 3.46Å; L263-E267 WeakPolarHBondContact O-CB 3.41Å; L263-E267 PolarHBondContact O-N 3.02Å
264	M	92.5	Very high	91.4	Very high	45 Å²	45	38.1 Å²	38.1	22%	0.222	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-46.5	177.1	-65.6	168.6	76.4	0	0	111.6	Y131 L260 K261 Y262 E267 M268	Y131-M264 HydrophobicContact CD1-CG 4.15Å; Y131-M264 HydrophobicContact CD2-CE 3.75Å; Y131-M264 HydrophobicContact CD2-CG 3.86Å; Y131-M264 HydrophobicContact CD2-SD 4.1Å; Y131-M264 HydrophobicContact CE1-CG 3.94Å; Y131-M264 HydrophobicContact CE2-CB 4.45Å; Y131-M264 HydrophobicContact CE2-CE 3.5Å; Y131-M264 VanDerWaalsContact CE2-CE 3.5Å; Y131-M264 HydrophobicContact CE2-CG 3.63Å; Y131-M264 HydrophobicContact CE2-SD 4.17Å; Y131-M264 HydrophobicContact CG-CG 4.12Å; L260-M264 HydrophobicContact CD1-CG 4.43Å; L260-M264 HydrophobicContact CG-CG 4.46Å; L260-M264 HydrophobicContact CG-SD 4.15Å; L260-M264 VanDerWaalsContact O-CG 3.26Å; L260-M264 WeakPolarHBondContact O-CG 3.38Å; L260-M264 PolarHBondContact O-N 3.39Å; K261-M264 HydrophobicContact CD-SD 4.4Å; Y262-M264 PolarHBondContact O-N 3.04Å; M264-E267 PolarHBondContact O-N 3.36Å; M264-M268 WeakPolarHBondContact O-CG 3.46Å; M264-M268 PolarHBondContact O-N 3.22Å; M264-M268 VanDerWaalsContact O-N 3.11Å
265	N	93.1	Very high	91.5	Very high	17 Å²	17	35.4 Å²	35.4	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-37.9	179.2	-79	21.5	0	0	0	111.5	M189 K261 Y262 L263 M268 L269	M189-N265 HydrophobicContact CE-CB 4.39Å; M189-N265 HydrophobicContact CG-CB 4.41Å; M189-N265 HydrophobicContact SD-CB 3.41Å; M189-N265 WeakPolarHBondContact SD-CB 2.9Å; K261-N265 WeakPolarHBondContact CE-OD1 3.42Å; K261-N265 PolarHBondContact NZ-OD1 2.86Å; K261-N265 WeakPolarHBondContact O-CB 3.34Å; K261-N265 PolarHBondContact O-N 3.13Å; K261-N265 VanDerWaalsContact O-N 3.07Å; K261-N265 PolarHBondContact O-OD1 2.92Å; Y262-N265 PolarHBondContact O-N 3.44Å; L263-N265 PolarHBondContact O-N 3.21Å; N265-M268 PolarHBondContact O-N 2.59Å; N265-L269 VanDerWaalsContact O-CB 3.29Å; N265-L269 WeakPolarHBondContact O-CB 2.75Å; N265-L269 PolarHBondContact O-N 2.88Å
266	L	93	Very high	91.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-40.4	176.2	-160.1	67.9	0	0	0	112.4	W165 F169 M189 Y262 L263 M268 L269 L270	W165-L266 HydrophobicContact CB-CD2 3.7Å; W165-L266 HydrophobicContact CD2-CD2 4.13Å; W165-L266 HydrophobicContact CE3-CB 4.16Å; W165-L266 HydrophobicContact CE3-CD2 3.7Å; W165-L266 HydrophobicContact CE3-CG 4.3Å; W165-L266 HydrophobicContact CG-CD2 4.19Å; W165-L266 HydrophobicContact CZ3-CB 4.46Å; F169-L266 HydrophobicContact CB-CD1 4.37Å; F169-L266 HydrophobicContact CB-CD2 4.44Å; F169-L266 HydrophobicContact CD2-CD1 3.45Å; F169-L266 VanDerWaalsContact CD2-CD1 3.45Å; F169-L266 HydrophobicContact CE2-CD1 3.79Å; F169-L266 HydrophobicContact CG-CD1 4Å; M189-L266 HydrophobicContact CE-CB 3.68Å; M189-L266 HydrophobicContact CE-CD1 3.88Å; M189-L266 HydrophobicContact CE-CG 4.31Å; Y262-L266 PolarHBondContact O-N 2.98Å; L263-L266 PolarHBondContact O-N 3.46Å; L266-M268 VanDerWaalsContact C-N 3.32Å; L266-M268 PolarHBondContact O-N 3.44Å; L266-L269 PolarHBondContact O-N 3.25Å; L266-L270 HydrophobicContact CD1-CD1 3.73Å; L266-L270 HydrophobicContact CD1-CG 4.44Å; L266-L270 HydrophobicContact CG-CD1 4.33Å; L266-L270 PolarHBondContact O-N 2.7Å
267	E	91.8	Very high	91.8	Very high	15 Å²	15	40 Å²	40	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-43.3	175.7	-177.5	-175.1	92.2	0	0	111.6	Y126 P128 G129 Y131 W165 L263 M264 Y274	Y126-E267 VanDerWaalsContact CE1-OE2 3.25Å; Y126-E267 WeakPolarHBondContact CE1-OE2 3.21Å; Y126-E267 VanDerWaalsContact CZ-OE2 3.28Å; Y126-E267 PolarHBondContact OH-OE2 3.02Å; P128-E267 VanDerWaalsContact CA-OE2 3.24Å; P128-E267 WeakPolarHBondContact CA-OE2 3.43Å; P128-E267 HydrophobicContact CB-CG 4.33Å; P128-E267 WeakPolarHBondContact CB-OE2 3.35Å; G129-E267 PolarHBondContact N-OE1 3.07Å; G129-E267 PolarHBondContact N-OE2 3.38Å; Y131-E267 PolarHBondContact OH-OE1 3.44Å; W165-E267 HydrophobicContact CH2-CB 4.43Å; W165-E267 HydrophobicContact CZ3-CB 4.17Å; L263-E267 WeakPolarHBondContact O-CB 3.41Å; L263-E267 PolarHBondContact O-N 3.02Å; M264-E267 PolarHBondContact O-N 3.36Å; E267-Y274 HydrophobicContact CG-CD1 4.26Å; E267-Y274 HydrophobicContact CG-CE1 3.75Å
268	M	88.7	Confident	91.9	Very high	120 Å²	120	37 Å²	37	59%	0.591	18%	0.181	S	C	*	.	H	α-helix	trans	-69.5	-41.2	177.3	-69.2	-172.7	-58.8	0	0	112.2	M264 N265 L266	M264-M268 WeakPolarHBondContact O-CG 3.46Å; M264-M268 PolarHBondContact O-N 3.22Å; M264-M268 VanDerWaalsContact O-N 3.11Å; N265-M268 PolarHBondContact O-N 2.59Å; L266-M268 VanDerWaalsContact C-N 3.32Å; L266-M268 PolarHBondContact O-N 3.44Å
269	L	89.8	Confident	91.8	Very high	26 Å²	26	41.9 Å²	41.9	14%	0.136	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-37.9	-178.9	-177	64.7	0	0	0	112.1	F169 A182 E185 N265 L266	F169-L269 HydrophobicContact CE2-CD2 4.45Å; A182-L269 HydrophobicContact CB-CD1 3.92Å; E185-L269 HydrophobicContact CB-CD1 4.27Å; E185-L269 HydrophobicContact CB-CD2 4.36Å; N265-L269 VanDerWaalsContact O-CB 3.29Å; N265-L269 WeakPolarHBondContact O-CB 2.75Å; N265-L269 PolarHBondContact O-N 2.88Å; L266-L269 PolarHBondContact O-N 3.25Å
270	L	87.6	Confident	91.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	20%	0.201	C	C	.	.			trans	-131.1	77.1	-170.1	-58.8	175.9	0	0	0	112	F169 V174 H175 I176 L266 S272 V273	F169-L270 HydrophobicContact CD2-CD1 4.21Å; V174-L270 HydrophobicContact CB-CD1 4.29Å; V174-L270 HydrophobicContact CG1-CB 4.4Å; V174-L270 HydrophobicContact CG1-CD1 3.82Å; V174-L270 HydrophobicContact CG1-CD2 4.5Å; V174-L270 HydrophobicContact CG1-CG 4.47Å; H175-L270 VanDerWaalsContact O-CD2 3.3Å; H175-L270 WeakPolarHBondContact O-CD2 3.05Å; I176-L270 HydrophobicContact CG1-CD1 4.2Å; I176-L270 HydrophobicContact CG1-CD2 4.3Å; L266-L270 HydrophobicContact CD1-CD1 3.73Å; L266-L270 HydrophobicContact CD1-CG 4.44Å; L266-L270 HydrophobicContact CG-CD1 4.33Å; L266-L270 PolarHBondContact O-N 2.7Å; L270-S272 PolarHBondContact O-N 3.43Å; L270-V273 HydrophobicContact CB-CB 4.41Å; L270-V273 WeakPolarHBondContact O-CB 3.38Å; L270-V273 WeakPolarHBondContact O-CG1 3.42Å; L270-V273 PolarHBondContact O-N 3.45Å
271	P	84.4	Confident	91.6	Very high	60 Å²	60	40.7 Å²	40.7	39%	0.39	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-59	-14.9	174.7	-25.1	34.9	0	0	0	114.7	V273 Y274	P271-V273 VanDerWaalsContact C-N 3.34Å; P271-Y274 HydrophobicContact CB-CE1 4.47Å
272	S	85.6	Confident	91.1	Very high	43 Å²	43	37.6 Å²	37.6	30%	0.301	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-74.3	-18.9	175.4	51.9	0	0	0	0	113.9	L270 Y274 S275	L270-S272 PolarHBondContact O-N 3.43Å; S272-Y274 PolarHBondContact O-N 2.94Å; S272-S275 WeakPolarHBondContact CA-OG 3.32Å; S272-S275 PolarHBondContact O-N 2.68Å; S272-S275 PolarHBondContact O-OG 2.61Å
273	V	88.3	Confident	90	Very high	27 Å²	27	42.7 Å²	42.7	16%	0.164	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66.2	-21.8	-174.9	76.5	0	0	0	0	113.2	W165 V174 L270 P271	W165-V273 HydrophobicContact CD2-CG1 4.34Å; W165-V273 HydrophobicContact CD2-CG2 3.96Å; W165-V273 HydrophobicContact CE3-CG1 4.29Å; W165-V273 HydrophobicContact CG-CG2 4.19Å; W165-V273 HydrophobicContact CH2-CG1 3.52Å; W165-V273 HydrophobicContact CZ2-CG1 3.58Å; W165-V273 HydrophobicContact CZ2-CG2 4.23Å; W165-V273 HydrophobicContact CZ3-CG1 3.89Å; V174-V273 HydrophobicContact CG2-CG2 4.26Å; L270-V273 HydrophobicContact CB-CB 4.41Å; L270-V273 WeakPolarHBondContact O-CB 3.38Å; L270-V273 WeakPolarHBondContact O-CG1 3.42Å; L270-V273 PolarHBondContact O-N 3.45Å; P271-V273 VanDerWaalsContact C-N 3.34Å
274	Y	91.6	Very high	89.2	Confident	36 Å²	36	45.9 Å²	45.9	14%	0.141	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-118.5	20.2	179.3	60.1	-97.9	0	0	0	113	Y126 P128 W165 E267 P271 S272	Y126-Y274 HydrophobicContact CD1-CD1 4.14Å; Y126-Y274 HydrophobicContact CD1-CD2 4.33Å; Y126-Y274 AromaticContact CD1-CG 3.71Å; Y126-Y274 HydrophobicContact CD1-CG 3.71Å; Y126-Y274 HydrophobicContact CE1-CD1 4.08Å; Y126-Y274 HydrophobicContact CE1-CG 4.12Å; P128-Y274 HydrophobicContact CB-CE1 4.42Å; P128-Y274 HydrophobicContact CB-CE2 4.25Å; P128-Y274 HydrophobicContact CG-CD2 4.36Å; P128-Y274 HydrophobicContact CG-CE2 3.88Å; W165-Y274 HydrophobicContact CH2-CD1 4.48Å; E267-Y274 HydrophobicContact CG-CD1 4.26Å; E267-Y274 HydrophobicContact CG-CE1 3.75Å; P271-Y274 HydrophobicContact CB-CE1 4.47Å; S272-Y274 PolarHBondContact O-N 2.94Å
275	S	92.8	Very high	88.5	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133	175.8	70	0	0	0	0	111.1	S272 V292	S272-S275 WeakPolarHBondContact CA-OG 3.32Å; S272-S275 PolarHBondContact O-N 2.68Å; S272-S275 PolarHBondContact O-OG 2.61Å; S275-V292 WeakPolarHBondContact CA-O 3.41Å
276	E	95.3	Very high	88	Confident	35 Å²	35	53.7 Å²	53.7	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.4	171.3	-67	-179.9	-129.3	0	0	109.6	R124 F278 V291 V292 L367	R124-E276 WeakPolarHBondContact CG-OE1 3.13Å; R124-E276 IonicContact CZ-OE1 3.45Å; R124-E276 IonicContact CZ-OE2 3.56Å; R124-E276 IonicContact NE-OE1 3.27Å; R124-E276 PolarHBondContact NE-OE1 3.01Å; R124-E276 IonicContact NE-OE2 2.61Å; R124-E276 PolarHBondContact NE-OE2 3.32Å; R124-E276 IonicContact NH2-OE1 3.69Å; R124-E276 IonicContact NH2-OE2 2.83Å; R124-E276 PolarHBondContact NH2-OE2 3.4Å; E276-F278 HydrophobicContact CB-CE2 3.77Å; E276-F278 HydrophobicContact CB-CZ 4.18Å; E276-V291 WeakPolarHBondContact O-CA 3.36Å; E276-V292 PolarHBondContact N-O 2.97Å; E276-V292 PolarHBondContact O-N 2.92Å; E276-L367 HydrophobicContact CB-CD2 3.65Å; E276-L367 HydrophobicContact CG-CD2 4.03Å; E276-L367 WeakPolarHBondContact OE1-CD1 3.49Å
277	R	93.9	Very high	87.8	Confident	149 Å²	149	60.5 Å²	60.5	56%	0.562	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.9	-177.8	-63.2	-175.2	166.7	148.3	-9.8	109.4	I290 V291	R277-I290 CarbonylContact C-O 3.6Å; R277-I290 VanDerWaalsContact CA-O 3.3Å; R277-I290 WeakPolarHBondContact CA-O 3.37Å; R277-V291 HydrophobicContact CG-CG1 4.2Å; R277-V291 HydrophobicContact CG-CG2 4.03Å
278	F	94.6	Very high	87.7	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.088	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.3	178.7	-59.2	-92.3	0	0	0	109	E276 V280 I290 F355 F364 L367	E276-F278 HydrophobicContact CB-CE2 3.77Å; E276-F278 HydrophobicContact CB-CZ 4.18Å; F278-V280 HydrophobicContact CB-CG1 4.26Å; F278-I290 HydrophobicContact CB-CB 4.42Å; F278-I290 PolarHBondContact N-O 3.19Å; F278-I290 PolarHBondContact O-N 3.04Å; F278-F355 HydrophobicContact CB-CE1 4.05Å; F278-F355 AromaticContact CD1-CE1 3.89Å; F278-F355 HydrophobicContact CD1-CE1 3.89Å; F278-F355 HydrophobicContact CG-CE1 4.18Å; F278-F364 HydrophobicContact CD1-CB 4.04Å; F278-F364 AromaticContact CD2-CD2 3.74Å; F278-F364 HydrophobicContact CD2-CD2 3.74Å; F278-F364 HydrophobicContact CD2-CE2 4.5Å; F278-F364 HydrophobicContact CE1-CB 3.79Å; F278-F364 HydrophobicContact CE2-CB 4.37Å; F278-F364 AromaticContact CE2-CD2 3.81Å; F278-F364 HydrophobicContact CE2-CD2 3.81Å; F278-F364 HydrophobicContact CG-CB 4.43Å; F278-F364 HydrophobicContact CG-CD2 4.15Å; F278-F364 HydrophobicContact CZ-CB 3.98Å; F278-F364 HydrophobicContact CZ-CD2 4.27Å; F278-L367 HydrophobicContact CE2-CD2 3.88Å; F278-L367 HydrophobicContact CZ-CD2 4.21Å
279	Q	92.8	Very high	87.9	Confident	111 Å²	111	54.6 Å²	54.6	52%	0.519	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.4	171.9	-70.3	-62.3	-19.5	0	0	108.1	T289	Q279-T289 PolarHBondContact NE2-OG1 2.89Å
280	V	92.3	Very high	88.1	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	164.3	-173.4	-62.7	0	0	0	0	110.2	F278 V288 I290 L353 F355	F278-V280 HydrophobicContact CB-CG1 4.26Å; V280-V288 HydrophobicContact CG2-CB 4.24Å; V280-V288 WeakPolarHBondContact CG2-O 3.41Å; V280-V288 PolarHBondContact N-O 3.28Å; V280-V288 PolarHBondContact O-N 3.11Å; V280-I290 HydrophobicContact CG2-CG1 3.72Å; V280-L353 HydrophobicContact CB-CB 4.41Å; V280-L353 HydrophobicContact CG2-CB 4.26Å; V280-L353 HydrophobicContact CG2-CD1 4.37Å; V280-L353 HydrophobicContact CG2-CD2 3.88Å; V280-L353 HydrophobicContact CG2-CG 4.39Å; V280-F355 HydrophobicContact CG1-CD1 3.73Å; V280-F355 HydrophobicContact CG1-CD2 4.01Å; V280-F355 HydrophobicContact CG1-CE1 3.52Å; V280-F355 HydrophobicContact CG1-CE2 3.8Å; V280-F355 HydrophobicContact CG1-CG 3.97Å; V280-F355 HydrophobicContact CG1-CZ 3.55Å
281	T	90.3	Very high	88.5	Confident	33 Å²	33	53.2 Å²	53.2	20%	0.202	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.7	172.5	48.5	0	0	0	0	111.1	R286 E354	T281-R286 VanDerWaalsContact CA-O 3.32Å; T281-R286 WeakPolarHBondContact CA-O 3.48Å; T281-E354 PolarHBondContact N-O 2.87Å; T281-E354 PolarHBondContact O-N 3.06Å; T281-E354 WeakPolarHBondContact OG1-CB 3.42Å; T281-E354 PolarHBondContact OG1-OE2 2.82Å
282	D	84.1	Confident	89.1	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.128	25%	0.253	C	S	.	.			trans	-77.5	174.8	170.4	76.2	9	0	0	0	111.9	S284 S285 R286 V288	D282-S284 PolarHBondContact O-N 2.84Å; D282-S284 VanDerWaalsContact O-N 3.13Å; D282-S284 VanDerWaalsContact OD1-C 3.25Å; D282-S284 VanDerWaalsContact OD1-CA 3.22Å; D282-S284 WeakPolarHBondContact OD1-CA 3.26Å; D282-S284 WeakPolarHBondContact OD1-CB 3.41Å; D282-S284 PolarHBondContact OD1-N 2.85Å; D282-S284 PolarHBondContact OD1-OG 3.45Å; D282-S284 PolarHBondContact OD2-OG 3.14Å; D282-S284 VanDerWaalsContact OD2-OG 3.05Å; D282-S285 WeakPolarHBondContact O-CA 3.42Å; D282-S285 PolarHBondContact O-N 2.98Å; D282-S285 PolarHBondContact OD1-N 3.47Å; D282-S285 VanDerWaalsContact OD1-N 3.13Å; D282-R286 PolarHBondContact N-O 3.02Å; D282-R286 PolarHBondContact OD1-N 3.29Å; D282-V288 HydrophobicContact CB-CG2 4.06Å
283	L	73.1	Confident	89.5	Confident	109 Å²	109	49.6 Å²	49.6	57%	0.571	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.4	177.7	-66.5	173.6	0	0	0	113.8	S285 E352 A831	L283-S285 PolarHBondContact O-N 3.39Å; L283-E352 HydrophobicContact CD1-CB 4.06Å; L283-E352 HydrophobicContact CD1-CG 4.36Å; L283-E352 WeakPolarHBondContact CD1-OE2 3.49Å; L283-E352 HydrophobicContact CD2-CB 4.04Å; L283-E352 HydrophobicContact CG-CB 3.97Å; L283-A831 HydrophobicContact CD1-CB 4.29Å
284	S	77.4	Confident	89.7	Confident	66 Å²	66	48.3 Å²	48.3	46%	0.462	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	10.3	174.3	72.7	0	0	0	0	113	D282 R286	D282-S284 PolarHBondContact O-N 2.84Å; D282-S284 VanDerWaalsContact O-N 3.13Å; D282-S284 VanDerWaalsContact OD1-C 3.25Å; D282-S284 VanDerWaalsContact OD1-CA 3.22Å; D282-S284 WeakPolarHBondContact OD1-CA 3.26Å; D282-S284 WeakPolarHBondContact OD1-CB 3.41Å; D282-S284 PolarHBondContact OD1-N 2.85Å; D282-S284 PolarHBondContact OD1-OG 3.45Å; D282-S284 PolarHBondContact OD2-OG 3.14Å; D282-S284 VanDerWaalsContact OD2-OG 3.05Å; S284-R286 PolarHBondContact O-N 3.44Å; S284-R286 VanDerWaalsContact OG-CD 3.26Å; S284-R286 WeakPolarHBondContact OG-CD 3.46Å; S284-R286 WeakPolarHBondContact OG-CG 3.12Å; S284-R286 PolarHBondContact OG-NE 2.9Å
285	S	77.4	Confident	89.5	Confident	83 Å²	83	48 Å²	48	58%	0.58	24%	0.237	S	C	*	.	S	Bend	trans	59	27.6	-176.6	-56.6	0	0	0	0	113.6	D282 L283	D282-S285 WeakPolarHBondContact O-CA 3.42Å; D282-S285 PolarHBondContact O-N 2.98Å; D282-S285 PolarHBondContact OD1-N 3.47Å; D282-S285 VanDerWaalsContact OD1-N 3.13Å; L283-S285 PolarHBondContact O-N 3.39Å
286	R	83.8	Confident	89.2	Confident	144 Å²	144	52.4 Å²	52.4	54%	0.543	25%	0.254	S	S	.	.			trans	-90.3	140.8	172.9	-63.5	175.2	-175.3	-176.8	2.7	109.7	T281 D282 S284	T281-R286 VanDerWaalsContact CA-O 3.32Å; T281-R286 WeakPolarHBondContact CA-O 3.48Å; D282-R286 PolarHBondContact N-O 3.02Å; D282-R286 PolarHBondContact OD1-N 3.29Å; S284-R286 PolarHBondContact O-N 3.44Å; S284-R286 VanDerWaalsContact OG-CD 3.26Å; S284-R286 WeakPolarHBondContact OG-CD 3.46Å; S284-R286 WeakPolarHBondContact OG-CG 3.12Å; S284-R286 PolarHBondContact OG-NE 2.9Å
287	E	87.8	Confident	89.1	Confident	144 Å²	144	50.7 Å²	50.7	67%	0.673	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	131	172.2	-70.5	-176.2	168.4	0	0	110.5
288	V	90.2	Very high	89.1	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.3	178.9	177.8	0	0	0	0	108.1	V280 D282 I290 W300 S301	V280-V288 HydrophobicContact CG2-CB 4.24Å; V280-V288 WeakPolarHBondContact CG2-O 3.41Å; V280-V288 PolarHBondContact N-O 3.28Å; V280-V288 PolarHBondContact O-N 3.11Å; D282-V288 HydrophobicContact CB-CG2 4.06Å; V288-I290 HydrophobicContact CG1-CD1 3.9Å; V288-W300 HydrophobicContact CG1-CB 4.29Å; V288-W300 HydrophobicContact CG1-CE3 4.12Å; V288-S301 WeakPolarHBondContact CA-O 3.23Å; V288-S301 WeakPolarHBondContact CG1-O 3.38Å
289	T	92.9	Very high	89	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.7	170.1	-52.8	0	0	0	0	108.5	Q279 V291 W300 S301 E311	Q279-T289 PolarHBondContact NE2-OG1 2.89Å; T289-V291 HydrophobicContact CG2-CG2 3.94Å; T289-W300 CarbonylContact O-C 3.57Å; T289-W300 VanDerWaalsContact O-CA 3.29Å; T289-W300 WeakPolarHBondContact O-CA 3.32Å; T289-S301 PolarHBondContact N-O 3.34Å; T289-S301 PolarHBondContact O-N 2.88Å; T289-E311 WeakPolarHBondContact CB-OE1 3.29Å; T289-E311 PolarHBondContact OG1-OE1 3.05Å; T289-E311 VanDerWaalsContact OG1-OE1 3.04Å
290	I	94.8	Very high	88.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.8	168.5	-57.6	-62	0	0	0	109.2	R277 F278 V280 V288 V292 I298 L299 W300 L353 F364	R277-I290 CarbonylContact C-O 3.6Å; R277-I290 VanDerWaalsContact CA-O 3.3Å; R277-I290 WeakPolarHBondContact CA-O 3.37Å; F278-I290 HydrophobicContact CB-CB 4.42Å; F278-I290 PolarHBondContact N-O 3.19Å; F278-I290 PolarHBondContact O-N 3.04Å; V280-I290 HydrophobicContact CG2-CG1 3.72Å; V288-I290 HydrophobicContact CG1-CD1 3.9Å; I290-V292 HydrophobicContact CG2-CG2 4.22Å; I290-I298 HydrophobicContact CG2-CG2 3.99Å; I290-L299 WeakPolarHBondContact CA-O 3.18Å; I290-W300 HydrophobicContact CD1-CB 3.63Å; I290-L353 HydrophobicContact CD1-CD1 4.07Å; I290-L353 HydrophobicContact CD1-CD2 4.25Å; I290-L353 HydrophobicContact CG1-CD1 3.82Å; I290-L353 HydrophobicContact CG1-CD2 4.46Å; I290-F364 HydrophobicContact CG2-CE2 3.79Å; I290-F364 HydrophobicContact CG2-CZ 4.38Å
291	V	95.3	Very high	88.6	Confident	1 Å²	1	40 Å²	40	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.9	177.6	-171.7	0	0	0	0	109.7	E276 R277 T289 K293 L299 L313	E276-V291 WeakPolarHBondContact O-CA 3.36Å; R277-V291 HydrophobicContact CG-CG1 4.2Å; R277-V291 HydrophobicContact CG-CG2 4.03Å; T289-V291 HydrophobicContact CG2-CG2 3.94Å; V291-K293 HydrophobicContact CG1-CG 4.31Å; V291-L299 HydrophobicContact CB-CB 4.26Å; V291-L299 PolarHBondContact N-O 3.07Å; V291-L299 WeakPolarHBondContact O-CA 3.15Å; V291-L299 WeakPolarHBondContact O-CB 3.48Å; V291-L299 PolarHBondContact O-N 3.03Å; V291-L313 HydrophobicContact CB-CD2 4.32Å; V291-L313 HydrophobicContact CG2-CD1 4.38Å; V291-L313 HydrophobicContact CG2-CD2 3.65Å
292	V	96.6	Very high	87.9	Confident	1 Å²	1	43 Å²	43	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	-179.2	-176	0	0	0	0	110.2	S275 E276 I290 F319 F364 L367 Y371	S275-V292 WeakPolarHBondContact CA-O 3.41Å; E276-V292 PolarHBondContact N-O 2.97Å; E276-V292 PolarHBondContact O-N 2.92Å; I290-V292 HydrophobicContact CG2-CG2 4.22Å; V292-F319 HydrophobicContact CG1-CE1 3.69Å; V292-F319 HydrophobicContact CG1-CZ 3.81Å; V292-F364 HydrophobicContact CG2-CD2 4.38Å; V292-F364 HydrophobicContact CG2-CE2 3.91Å; V292-L367 HydrophobicContact CB-CD2 3.65Å; V292-L367 HydrophobicContact CB-CG 4.41Å; V292-L367 HydrophobicContact CG1-CD2 3.81Å; V292-L367 HydrophobicContact CG1-CG 4.03Å; V292-L367 HydrophobicContact CG2-CD2 4.08Å; V292-Y371 HydrophobicContact CG1-CD2 3.95Å; V292-Y371 HydrophobicContact CG1-CE2 4.09Å
293	K	94.1	Very high	86.9	Confident	27 Å²	27	43.6 Å²	43.6	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.8	180	-60.4	-174.5	-178.6	-174.5	0	111.3	V291 N295 K296 G297 L299 F319	V291-K293 HydrophobicContact CG1-CG 4.31Å; K293-N295 VanDerWaalsContact C-N 3.26Å; K293-N295 PolarHBondContact O-N 3.27Å; K293-N295 VanDerWaalsContact O-N 3.14Å; K293-K296 HydrophobicContact CB-CB 4.24Å; K293-K296 PolarHBondContact O-N 2.93Å; K293-K296 VanDerWaalsContact O-N 3.11Å; K293-G297 PolarHBondContact N-O 3.39Å; K293-G297 PolarHBondContact O-N 3.15Å; K293-L299 HydrophobicContact CD-CD1 4.16Å; K293-F319 WeakPolarHBondContact O-CZ 3.41Å
294	G	91.9	Very high	85.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.2	-179.2	0	0	0	0	0	114.9	R512	G294-R512 WeakPolarHBondContact O-CD 3.3Å; G294-R512 PolarHBondContact O-NH1 2.97Å
295	N	88.1	Confident	84.3	Confident	29 Å²	29	47.1 Å²	47.1	16%	0.155	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-13	-179.9	66.5	-34.1	0	0	0	115.5	P128 K293	P128-N295 HydrophobicContact CG-CB 3.77Å; P128-N295 WeakPolarHBondContact CG-ND2 3.2Å; K293-N295 VanDerWaalsContact C-N 3.26Å; K293-N295 PolarHBondContact O-N 3.27Å; K293-N295 VanDerWaalsContact O-N 3.14Å
296	K	86.6	Confident	82.4	Confident	108 Å²	108	51.7 Å²	51.7	47%	0.47	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-7.4	-175.1	-66.7	-164.3	175.5	-167.6	0	114.6	K293 L299 L315	K293-K296 HydrophobicContact CB-CB 4.24Å; K293-K296 PolarHBondContact O-N 2.93Å; K293-K296 VanDerWaalsContact O-N 3.11Å; K296-L299 HydrophobicContact CB-CD1 4.29Å; K296-L299 HydrophobicContact CB-CD2 4.32Å; K296-L299 HydrophobicContact CD-CD1 4.3Å; K296-L315 WeakPolarHBondContact O-CD1 3.38Å
297	G	92.7	Very high	79.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.9	-142	-178.3	0	0	0	0	0	112.7	K293	K293-G297 PolarHBondContact N-O 3.39Å; K293-G297 PolarHBondContact O-N 3.15Å
298	I	95.1	Very high	77.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114	-178.6	-53.5	175.4	0	0	0	108.2	I290 Y316 C317 F319 V322 L343 V368	I290-I298 HydrophobicContact CG2-CG2 3.99Å; I298-Y316 HydrophobicContact CG2-CD1 4.42Å; I298-Y316 WeakPolarHBondContact O-CB 3.19Å; I298-Y316 PolarHBondContact O-N 3.28Å; I298-C317 PolarHBondContact N-O 3.16Å; I298-C317 PolarHBondContact O-N 3.2Å; I298-F319 HydrophobicContact CG1-CD1 4.45Å; I298-F319 HydrophobicContact CG1-CE1 4.23Å; I298-V322 HydrophobicContact CD1-CG2 4.33Å; I298-L343 HydrophobicContact CD1-CD1 3.4Å; I298-L343 VanDerWaalsContact CD1-CD1 3.4Å; I298-V368 HydrophobicContact CD1-CG1 3.92Å; I298-V368 HydrophobicContact CD1-CG2 4.05Å
299	L	92.8	Very high	75.6	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	153.3	176.3	-52	171	0	0	0	109.5	I290 V291 K293 K296 L313 E314 L315	I290-L299 WeakPolarHBondContact CA-O 3.18Å; V291-L299 HydrophobicContact CB-CB 4.26Å; V291-L299 PolarHBondContact N-O 3.07Å; V291-L299 WeakPolarHBondContact O-CA 3.15Å; V291-L299 WeakPolarHBondContact O-CB 3.48Å; V291-L299 PolarHBondContact O-N 3.03Å; K293-L299 HydrophobicContact CD-CD1 4.16Å; K296-L299 HydrophobicContact CB-CD1 4.29Å; K296-L299 HydrophobicContact CB-CD2 4.32Å; K296-L299 HydrophobicContact CD-CD1 4.3Å; L299-L313 HydrophobicContact CB-CB 4.43Å; L299-L313 HydrophobicContact CD1-CB 4.39Å; L299-L313 HydrophobicContact CD1-CD1 4.21Å; L299-E314 CarbonylContact C-O 3.58Å; L299-E314 WeakPolarHBondContact CA-O 3.17Å; L299-L315 HydrophobicContact CD2-CB 4.14Å; L299-L315 HydrophobicContact CD2-CD1 3.92Å
300	W	89.6	Confident	73.7	Confident	41 Å²	41	63.4 Å²	63.4	16%	0.155	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.1	174.9	74.7	-24.2	0	0	0	112	V288 T289 I290 K302 E314 L351	V288-W300 HydrophobicContact CG1-CB 4.29Å; V288-W300 HydrophobicContact CG1-CE3 4.12Å; T289-W300 CarbonylContact O-C 3.57Å; T289-W300 VanDerWaalsContact O-CA 3.29Å; T289-W300 WeakPolarHBondContact O-CA 3.32Å; I290-W300 HydrophobicContact CD1-CB 3.63Å; W300-K302 VanDerWaalsContact CZ2-CE 3.49Å; W300-E314 PolarHBondContact N-O 3.23Å; W300-E314 PolarHBondContact NE1-OE2 2.93Å; W300-E314 PolarHBondContact O-N 2.83Å; W300-L351 HydrophobicContact CE3-CD1 4.48Å; W300-L351 HydrophobicContact CZ3-CD1 4.26Å
301	S	87.2	Confident	72.1	Confident	10 Å²	10	67.7 Å²	67.7	7%	0.07	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.2	173.3	166.3	0	0	0	0	109.6	V288 T289 G303 E311	V288-S301 WeakPolarHBondContact CA-O 3.23Å; V288-S301 WeakPolarHBondContact CG1-O 3.38Å; T289-S301 PolarHBondContact N-O 3.34Å; T289-S301 PolarHBondContact O-N 2.88Å; S301-G303 PolarHBondContact O-N 3.26Å; S301-E311 WeakPolarHBondContact CB-OE1 3.49Å; S301-E311 WeakPolarHBondContact OG-CG 3.38Å; S301-E311 PolarHBondContact OG-OE1 3.15Å
302	K	74	Confident	71.1	Confident	94 Å²	94	75.5 Å²	75.5	41%	0.409	41%	0.405	S	S	.	.			trans	-94.3	65.7	-177.7	-66.1	177.6	-176.9	165.2	0	111.2	W300	W300-K302 VanDerWaalsContact CZ2-CE 3.49Å
303	G	63.8	Low	70.5	Confident	37 Å²	37	78.1 Å²	78.1	38%	0.381	42%	0.419	S	S	.	.	S	Bend	trans	62.1	167.2	171.6	0	0	0	0	0	115.6	S301 G305	S301-G303 PolarHBondContact O-N 3.26Å; G303-G305 PolarHBondContact O-N 3.15Å
304	K	50.9	Low	70	Confident	197 Å²	197	81.8 Å²	81.8	86%	0.857	44%	0.437	S	S	*	.			trans	-71.3	113.1	-175.7	-68.9	-179.4	179.9	177.1	0	111.5
305	G	44	Very low	69.7	Low	53 Å²	53	86.7 Å²	86.7	55%	0.546	46%	0.463	S	S	.	.	S	Bend	trans	-58.4	147.1	141.5	0	0	0	0	0	108.9	G303	G303-G305 PolarHBondContact O-N 3.15Å
306	E	38	Very low	69.7	Low	179 Å²	179	86.8 Å²	86.8	84%	0.836	46%	0.461	S	S	*	.	S	Bend	trans	0.4	131	178.2	-61.6	-178.8	169.3	0	0	118.1	G308 A309	E306-G308 PolarHBondContact O-N 3.24Å; E306-A309 PolarHBondContact O-N 3.35Å
307	E	32.5	Very low	69.8	Low	200 Å²	200	81.7 Å²	81.7	94%	0.935	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	105.2	178.8	-71.9	-171.5	152.8	0	0	112.8
308	G	43	Very low	69.8	Low	83 Å²	83	82.9 Å²	82.9	86%	0.856	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.6	-10.4	177.1	0	0	0	0	0	115.7	E306	E306-G308 PolarHBondContact O-N 3.24Å
309	A	43.7	Very low	69.7	Low	72 Å²	72	82.9 Å²	82.9	60%	0.595	45%	0.445	S	S	*	.			trans	-75.4	136.4	173.3	0	0	0	0	0	111.9	E306 E311	E306-A309 PolarHBondContact O-N 3.35Å; A309-E311 PolarHBondContact O-N 3.2Å
310	E	52.7	Low	69.7	Low	190 Å²	190	83.8 Å²	83.8	89%	0.888	45%	0.452	S	S	*	.			trans	-61.2	133.8	169.7	-73.7	-172.7	157.3	0	0	109.6	E312	E310-E312 PolarHBondContact O-N 3.2Å
311	E	62	Low	69.7	Low	90 Å²	90	84.5 Å²	84.5	42%	0.421	46%	0.457	S	S	.	.			trans	-65.9	104.5	179.3	-167.2	177.3	-163.5	0	0	109.6	T289 S301 A309 L313	T289-E311 WeakPolarHBondContact CB-OE1 3.29Å; T289-E311 PolarHBondContact OG1-OE1 3.05Å; T289-E311 VanDerWaalsContact OG1-OE1 3.04Å; S301-E311 WeakPolarHBondContact CB-OE1 3.49Å; S301-E311 WeakPolarHBondContact OG-CG 3.38Å; S301-E311 PolarHBondContact OG-OE1 3.15Å; A309-E311 PolarHBondContact O-N 3.2Å; E311-L313 PolarHBondContact O-N 3.15Å; E311-L313 VanDerWaalsContact O-N 3.15Å
312	E	74.9	Confident	69.9	Low	164 Å²	164	84 Å²	84	77%	0.766	45%	0.453	S	S	*	.			trans	-75.5	102.5	179.8	-165.8	168.8	-167.9	0	0	109.6	E310	E310-E312 PolarHBondContact O-N 3.2Å
313	L	82.6	Confident	70.6	Confident	56 Å²	56	79.5 Å²	79.5	29%	0.293	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-80.3	118	178.2	-70.2	171.4	0	0	0	110.6	V291 L299 E311	V291-L313 HydrophobicContact CB-CD2 4.32Å; V291-L313 HydrophobicContact CG2-CD1 4.38Å; V291-L313 HydrophobicContact CG2-CD2 3.65Å; L299-L313 HydrophobicContact CB-CB 4.43Å; L299-L313 HydrophobicContact CD1-CB 4.39Å; L299-L313 HydrophobicContact CD1-CD1 4.21Å; E311-L313 PolarHBondContact O-N 3.15Å; E311-L313 VanDerWaalsContact O-N 3.15Å
314	E	84.8	Confident	72	Confident	104 Å²	104	78 Å²	78	49%	0.486	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	147.2	173.7	-68	179.6	173.3	0	0	111.1	L299 W300 Y316	L299-E314 CarbonylContact C-O 3.58Å; L299-E314 WeakPolarHBondContact CA-O 3.17Å; W300-E314 PolarHBondContact N-O 3.23Å; W300-E314 PolarHBondContact NE1-OE2 2.93Å; W300-E314 PolarHBondContact O-N 2.83Å; E314-Y316 PolarHBondContact O-N 3Å
315	L	85.3	Confident	74	Confident	104 Å²	104	69 Å²	69	55%	0.545	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.6	171.2	177.3	64.6	0	0	0	109.5	K296 L299	K296-L315 WeakPolarHBondContact O-CD1 3.38Å; L299-L315 HydrophobicContact CD2-CB 4.14Å; L299-L315 HydrophobicContact CD2-CD1 3.92Å
316	Y	87.1	Confident	76.2	Confident	31 Å²	31	67.7 Å²	67.7	12%	0.122	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-59.9	169.9	175.2	-105.6	0	0	0	110.5	I298 E314 L343 R345 L351	I298-Y316 HydrophobicContact CG2-CD1 4.42Å; I298-Y316 WeakPolarHBondContact O-CB 3.19Å; I298-Y316 PolarHBondContact O-N 3.28Å; E314-Y316 PolarHBondContact O-N 3Å; Y316-L343 HydrophobicContact CE1-CD2 3.9Å; Y316-R345 HydrophobicContact CE1-CG 4.27Å; Y316-R345 VanDerWaalsContact OH-CD 3.23Å; Y316-R345 WeakPolarHBondContact OH-CD 3.43Å; Y316-L351 HydrophobicContact CD1-CD2 3.79Å; Y316-L351 HydrophobicContact CD2-CD2 4.28Å; Y316-L351 HydrophobicContact CE1-CB 3.8Å; Y316-L351 HydrophobicContact CE1-CD2 3.72Å; Y316-L351 HydrophobicContact CE1-CG 4.38Å; Y316-L351 HydrophobicContact CE2-CB 3.98Å; Y316-L351 HydrophobicContact CE2-CD1 4.35Å; Y316-L351 HydrophobicContact CE2-CD2 4.2Å; Y316-L351 HydrophobicContact CE2-CG 4.42Å; Y316-L351 HydrophobicContact CG-CD2 4.1Å; Y316-L351 VanDerWaalsContact CZ-CB 3.42Å; Y316-L351 VanDerWaalsContact OH-CB 3.26Å; Y316-L351 WeakPolarHBondContact OH-CB 3.22Å; Y316-L351 PolarHBondContact OH-N 3.13Å
317	C	89.3	Confident	78.7	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	164.3	170.6	65	0	0	0	0	111.7	I298 E321 R345	I298-C317 PolarHBondContact N-O 3.16Å; I298-C317 PolarHBondContact O-N 3.2Å; C317-E321 HydrophobicContact CB-CB 4.22Å; C317-R345 HydrophobicContact CB-CG 4.38Å
318	D	92.1	Very high	81.2	Confident	25 Å²	25	52.2 Å²	52.2	13%	0.134	29%	0.288	C	S	.	.			trans	-88.8	159.7	169.7	-162.5	6	0	0	0	112	E321 R512 Q515	D318-E321 PolarHBondContact N-OE1 3.24Å; D318-E321 WeakPolarHBondContact O-CB 3.41Å; D318-E321 PolarHBondContact O-N 3.48Å; D318-E321 VanDerWaalsContact O-N 3.1Å; D318-R512 IonicContact OD1-CZ 3.86Å; D318-R512 IonicContact OD1-NH1 3.05Å; D318-R512 PolarHBondContact OD1-NH1 3.11Å; D318-R512 IonicContact OD1-NH2 3.88Å; D318-R512 PolarHBondContact OD1-NH2 3.35Å; D318-R512 IonicContact OD2-CZ 3.88Å; D318-R512 IonicContact OD2-NH1 3.15Å; D318-R512 IonicContact OD2-NH2 3.92Å; D318-R512 PolarHBondContact OD2-NH2 3.17Å; D318-Q515 PolarHBondContact OD2-NE2 3.42Å
319	F	94.1	Very high	83.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.5	-44.2	-174.6	-49.1	-72.2	0	0	0	113.7	V292 K293 I298 E321 V322 V368 Y371 Y372 V375	V292-F319 HydrophobicContact CG1-CE1 3.69Å; V292-F319 HydrophobicContact CG1-CZ 3.81Å; K293-F319 WeakPolarHBondContact O-CZ 3.41Å; I298-F319 HydrophobicContact CG1-CD1 4.45Å; I298-F319 HydrophobicContact CG1-CE1 4.23Å; F319-E321 PolarHBondContact O-N 3.27Å; F319-V322 PolarHBondContact O-N 3.45Å; F319-V368 HydrophobicContact CD1-CG1 4.35Å; F319-Y371 AromaticContact CE1-CD2 3.9Å; F319-Y371 HydrophobicContact CE1-CD2 3.9Å; F319-Y371 AromaticContact CE1-CG 3.95Å; F319-Y371 HydrophobicContact CE1-CG 3.95Å; F319-Y371 HydrophobicContact CE2-CD1 4.26Å; F319-Y371 HydrophobicContact CE2-CD2 4.37Å; F319-Y371 AromaticContact CE2-CG 3.89Å; F319-Y371 HydrophobicContact CE2-CG 3.89Å; F319-Y371 HydrophobicContact CZ-CD1 4.29Å; F319-Y371 AromaticContact CZ-CD2 3.61Å; F319-Y371 HydrophobicContact CZ-CD2 3.61Å; F319-Y371 HydrophobicContact CZ-CE2 4.39Å; F319-Y371 AromaticContact CZ-CG 3.57Å; F319-Y371 HydrophobicContact CZ-CG 3.57Å; F319-Y372 VanDerWaalsContact O-CD2 3.31Å; F319-Y372 WeakPolarHBondContact O-CD2 3.49Å; F319-V375 HydrophobicContact CB-CG2 3.76Å; F319-V375 HydrophobicContact CD2-CG2 3.94Å; F319-V375 HydrophobicContact CG-CG2 4.27Å
320	P	91.3	Very high	84.5	Confident	28 Å²	28	49.6 Å²	49.6	18%	0.182	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.1	179.5	-24	35.5	0	0	0	114.7	V322 Q346 V375 A376 R796	P320-V322 VanDerWaalsContact C-N 3.33Å; P320-Q346 PolarHBondContact O-NE2 3.28Å; P320-V375 HydrophobicContact CG-CG2 4.05Å; P320-A376 HydrophobicContact CB-CB 4Å; P320-A376 HydrophobicContact CG-CB 4.04Å; P320-R796 PolarHBondContact O-NH2 3.06Å
321	E	89.5	Confident	84.9	Confident	56 Å²	56	44.6 Å²	44.6	26%	0.262	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-78	-15.2	177.5	-61.2	176.2	-116.8	0	0	113	C317 D318 F319 R345 Q346	C317-E321 HydrophobicContact CB-CB 4.22Å; D318-E321 PolarHBondContact N-OE1 3.24Å; D318-E321 WeakPolarHBondContact O-CB 3.41Å; D318-E321 PolarHBondContact O-N 3.48Å; D318-E321 VanDerWaalsContact O-N 3.1Å; F319-E321 PolarHBondContact O-N 3.27Å; E321-R345 CarbonylContact O-C 3.59Å; E321-R345 VanDerWaalsContact O-CA 3.29Å; E321-R345 WeakPolarHBondContact O-CA 3.35Å; E321-R345 IonicContact OE2-CZ 3.25Å; E321-R345 IonicContact OE2-NE 3.13Å; E321-R345 IonicContact OE2-NH2 2.66Å; E321-R345 PolarHBondContact OE2-NH2 2.97Å; E321-Q346 WeakPolarHBondContact O-CG 3.31Å; E321-Q346 PolarHBondContact O-N 2.97Å
322	V	92.1	Very high	84.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121	-176	-173	0	0	0	0	111	I298 F319 P320 I325 L343 T344 L382 R796	I298-V322 HydrophobicContact CD1-CG2 4.33Å; F319-V322 PolarHBondContact O-N 3.45Å; P320-V322 VanDerWaalsContact C-N 3.33Å; V322-I325 HydrophobicContact CG1-CD1 4.24Å; V322-I325 HydrophobicContact CG1-CG1 3.91Å; V322-L343 HydrophobicContact CB-CD2 4.44Å; V322-L343 HydrophobicContact CG1-CD1 4.25Å; V322-L343 HydrophobicContact CG1-CD2 3.9Å; V322-L343 HydrophobicContact CG1-CG 3.74Å; V322-L343 HydrophobicContact CG2-CD1 4.14Å; V322-L343 HydrophobicContact CG2-CD2 3.89Å; V322-L343 HydrophobicContact CG2-CG 4.25Å; V322-T344 CarbonylContact C-O 3.56Å; V322-L382 HydrophobicContact CB-CD1 4.05Å; V322-L382 HydrophobicContact CB-CD2 4.5Å; V322-L382 HydrophobicContact CG1-CD1 3.76Å; V322-L382 HydrophobicContact CG1-CD2 4.28Å; V322-L382 VanDerWaalsContact O-CD2 3.32Å; V322-L382 WeakPolarHBondContact O-CD2 3.25Å; V322-R796 PolarHBondContact O-NH2 3.05Å
323	I	89.1	Confident	83.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-49.1	-179.7	-68.3	-71.6	0	0	0	111.6	T344 Q346 L382 W656 R796 I799	I323-T344 PolarHBondContact N-O 3.4Å; I323-Q346 HydrophobicContact CD1-CG 3.65Å; I323-Q346 HydrophobicContact CG1-CB 4.45Å; I323-Q346 HydrophobicContact CG1-CG 3.87Å; I323-L382 WeakPolarHBondContact O-CD2 3.39Å; I323-W656 HydrophobicContact CB-CH2 4.3Å; I323-W656 HydrophobicContact CG1-CH2 3.81Å; I323-W656 HydrophobicContact CG1-CZ3 4.24Å; I323-W656 HydrophobicContact CG2-CH2 4.34Å; I323-R796 HydrophobicContact CD1-CB 4.48Å; I323-R796 HydrophobicContact CD1-CG 3.78Å; I323-R796 HydrophobicContact CG2-CG 4.37Å; I323-I799 HydrophobicContact CG2-CB 4.16Å; I323-I799 HydrophobicContact CG2-CG2 3.68Å
324	D	92.7	Very high	81.9	Confident	6 Å²	6	49 Å²	49	3%	0.032	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162.3	179.2	71.6	-77.8	0	0	0	111.6	T344 R800 N803	D324-T344 PolarHBondContact O-N 3.04Å; D324-T344 VanDerWaalsContact OD1-CB 3.29Å; D324-T344 WeakPolarHBondContact OD1-CB 3.34Å; D324-R800 HydrophobicContact CB-CB 3.95Å; D324-R800 HydrophobicContact CB-CG 3.77Å; D324-N803 VanDerWaalsContact CG-ND2 3.32Å; D324-N803 PolarHBondContact OD1-ND2 3.48Å; D324-N803 VanDerWaalsContact OD2-CB 3.3Å; D324-N803 WeakPolarHBondContact OD2-CB 3.31Å; D324-N803 PolarHBondContact OD2-ND2 3.14Å
325	I	93.7	Very high	80.5	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131	173.7	-55.8	171.5	0	0	0	108.6	V322 V341 S342 L343 V365 V368 L382 C383	V322-I325 HydrophobicContact CG1-CD1 4.24Å; V322-I325 HydrophobicContact CG1-CG1 3.91Å; I325-V341 HydrophobicContact CG2-CG1 3.61Å; I325-S342 WeakPolarHBondContact CA-O 3.48Å; I325-L343 HydrophobicContact CD1-CD1 4.39Å; I325-L343 HydrophobicContact CG1-CB 4.42Å; I325-L343 HydrophobicContact CG1-CG 4.18Å; I325-V365 HydrophobicContact CB-CG1 4.12Å; I325-V365 HydrophobicContact CD1-CG1 4.22Å; I325-V365 HydrophobicContact CG2-CB 4.42Å; I325-V365 HydrophobicContact CG2-CG1 3.77Å; I325-V365 HydrophobicContact CG2-CG2 3.72Å; I325-V368 HydrophobicContact CD1-CB 3.94Å; I325-V368 HydrophobicContact CD1-CG1 3.67Å; I325-L382 HydrophobicContact CD1-CB 4.26Å; I325-L382 HydrophobicContact CD1-CD1 3.94Å; I325-L382 HydrophobicContact CG1-CB 4.24Å; I325-L382 HydrophobicContact CG1-CD1 4.43Å; I325-L382 PolarHBondContact N-O 3.43Å; I325-L382 VanDerWaalsContact N-O 3.12Å; I325-C383 HydrophobicContact CB-CB 4.22Å; I325-C383 VanDerWaalsContact O-CB 3.24Å; I325-C383 WeakPolarHBondContact O-CB 3.49Å; I325-C383 PolarHBondContact O-SG 3.45Å
326	S	90.3	Very high	79.4	Confident	26 Å²	26	45.1 Å²	45.1	18%	0.182	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.2	175.2	72.5	0	0	0	0	111.5	V341 S342	S326-V341 WeakPolarHBondContact O-CA 3.2Å; S326-S342 PolarHBondContact N-O 3.35Å; S326-S342 PolarHBondContact O-N 3.43Å
327	I	89.6	Confident	78.9	Confident	15 Å²	15	49.5 Å²	49.5	8%	0.077	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.9	174.7	-53.5	178.9	0	0	0	107.9	R339 I340 V341 L358 L362 V365	I327-R339 HydrophobicContact CG2-CB 4.02Å; I327-R339 HydrophobicContact CG2-CG 4.18Å; I327-I340 CarbonylContact C-O 3.56Å; I327-I340 WeakPolarHBondContact CA-O 3.28Å; I327-V341 HydrophobicContact CG1-CG2 4.45Å; I327-L358 HydrophobicContact CG2-CD1 4.47Å; I327-L362 HydrophobicContact CD1-CD2 3.71Å; I327-V365 HydrophobicContact CD1-CB 4.3Å; I327-V365 HydrophobicContact CD1-CG2 3.91Å; I327-V365 HydrophobicContact CG1-CG2 4.06Å
328	K	86	Confident	78.7	Confident	39 Å²	39	49.6 Å²	49.6	17%	0.17	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.8	180	-63.7	178.1	-175.6	170.6	0	110.7	R339 I340	K328-R339 CarbonylContact O-C 3.37Å; K328-R339 VanDerWaalsContact O-CA 3.27Å; K328-R339 WeakPolarHBondContact O-CA 3.41Å; K328-R339 WeakPolarHBondContact O-CD 3.49Å; K328-I340 PolarHBondContact N-O 3.03Å; K328-I340 PolarHBondContact O-N 2.94Å
329	Q	83.4	Confident	78.6	Confident	93 Å²	93	50.3 Å²	50.3	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.5	172.8	-174.3	66.7	44.3	0	0	110.5	A336 S338 R339	Q329-A336 PolarHBondContact NE2-O 2.68Å; Q329-S338 PolarHBondContact NE2-O 2.92Å; Q329-R339 VanDerWaalsContact CD-NH1 3.3Å; Q329-R339 VanDerWaalsContact NE2-NH1 3.13Å
330	G	73.1	Confident	78.4	Confident	8 Å²	8	51.8 Å²	51.8	8%	0.082	30%	0.299	C	S	.	.			trans	-70.6	147.2	174.5	0	0	0	0	0	112.8	S338	G330-S338 PolarHBondContact N-O 2.62Å
331	S	60.9	Low	78.5	Confident	85 Å²	85	50.5 Å²	50.5	59%	0.594	29%	0.291	S	S	*	.			trans	-90.9	7.3	-169.3	61.1	0	0	0	0	115.4	E333	S331-E333 PolarHBondContact O-N 3.34Å
332	K	58.6	Low	78.6	Confident	106 Å²	106	47.9 Å²	47.9	46%	0.461	28%	0.279	S	S	.	.			trans	-79.1	115.4	-177.8	-77.4	173.5	178.4	145.9	0	110.7	G334 S335 E354	K332-G334 PolarHBondContact O-N 2.68Å; K332-S335 PolarHBondContact O-N 3.13Å; K332-E354 IonicContact NZ-OE1 3.2Å; K332-E354 IonicContact NZ-OE2 3.18Å; K332-E354 PolarHBondContact NZ-OE2 3.32Å
333	E	46	Very low	78.7	Confident	207 Å²	207	48 Å²	48	97%	0.967	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	104.3	166.9	-76.3	-179.3	157.9	0	0	109.2	S331	S331-E333 PolarHBondContact O-N 3.34Å
334	G	51.4	Low	78.7	Confident	89 Å²	89	48.2 Å²	48.2	92%	0.918	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.3	-12	177.9	0	0	0	0	0	116.3	K332	K332-G334 PolarHBondContact O-N 2.68Å
335	S	55	Low	78.3	Confident	45 Å²	45	49.6 Å²	49.6	32%	0.315	29%	0.286	S	S	.	.			trans	-121.3	94.2	175.9	174.9	0	0	0	0	111	K332 E337 S338	K332-S335 PolarHBondContact O-N 3.13Å; S335-E337 PolarHBondContact O-N 3.12Å; S335-S338 PolarHBondContact OG-N 3.41Å
336	A	61.9	Low	77.7	Confident	82 Å²	82	53.1 Å²	53.1	68%	0.678	30%	0.302	S	S	*	.	S	Bend	trans	-69.2	-12.1	174.2	0	0	0	0	0	112.9	Q329 R339	Q329-A336 PolarHBondContact NE2-O 2.68Å; A336-R339 PolarHBondContact O-NH1 3.01Å
337	E	76.8	Confident	76.7	Confident	122 Å²	122	55.8 Å²	55.8	57%	0.57	31%	0.314	S	S	*	.	S	Bend	trans	-100.2	-17.9	-171.6	-64.9	-168.7	168.4	0	0	114.6	S335 R339 Q356 L357 L358	S335-E337 PolarHBondContact O-N 3.12Å; E337-R339 VanDerWaalsContact C-NH1 3.33Å; E337-R339 PolarHBondContact O-NH1 3.37Å; E337-R339 VanDerWaalsContact O-NH1 3.15Å; E337-Q356 CarbonylContact C-O 3.56Å; E337-L357 WeakPolarHBondContact OE2-CD2 3.47Å; E337-L358 PolarHBondContact O-N 3.04Å
338	S	86.1	Confident	75.9	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.021	32%	0.323	C	S	.	.			trans	-69.4	147.4	-179.1	76.5	0	0	0	0	112.5	Q329 G330 S335 E354 F355 Q356	Q329-S338 PolarHBondContact NE2-O 2.92Å; G330-S338 PolarHBondContact N-O 2.62Å; S335-S338 PolarHBondContact OG-N 3.41Å; S338-E354 PolarHBondContact OG-OE1 3.44Å; S338-E354 VanDerWaalsContact OG-OE1 3.07Å; S338-F355 VanDerWaalsContact CA-O 3.28Å; S338-F355 WeakPolarHBondContact CA-O 3.49Å; S338-F355 WeakPolarHBondContact CB-O 3.37Å; S338-Q356 WeakPolarHBondContact CA-O 3.48Å; S338-Q356 PolarHBondContact N-O 2.81Å
339	R	89.6	Confident	75.5	Confident	41 Å²	41	59.5 Å²	59.5	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.1	-178.2	-66.9	-62.7	-178.9	-83.3	6.3	111	I327 K328 Q329 A336 E337 E354 F355 L358 A361	I327-R339 HydrophobicContact CG2-CB 4.02Å; I327-R339 HydrophobicContact CG2-CG 4.18Å; K328-R339 CarbonylContact O-C 3.37Å; K328-R339 VanDerWaalsContact O-CA 3.27Å; K328-R339 WeakPolarHBondContact O-CA 3.41Å; K328-R339 WeakPolarHBondContact O-CD 3.49Å; Q329-R339 VanDerWaalsContact CD-NH1 3.3Å; Q329-R339 VanDerWaalsContact NE2-NH1 3.13Å; A336-R339 PolarHBondContact O-NH1 3.01Å; E337-R339 VanDerWaalsContact C-NH1 3.33Å; E337-R339 PolarHBondContact O-NH1 3.37Å; E337-R339 VanDerWaalsContact O-NH1 3.15Å; R339-E354 WeakPolarHBondContact O-CA 3.39Å; R339-F355 PolarHBondContact N-O 2.74Å; R339-F355 PolarHBondContact O-N 3.48Å; R339-L358 HydrophobicContact CG-CB 3.95Å; R339-L358 HydrophobicContact CG-CD1 3.77Å; R339-L358 HydrophobicContact CG-CG 4.46Å; R339-A361 HydrophobicContact CB-CB 3.93Å; R339-A361 HydrophobicContact CG-CB 4.46Å
340	I	90.4	Very high	75.6	Confident	30 Å²	30	57.3 Å²	57.3	15%	0.154	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120	171.6	-60.6	170.9	0	0	0	107.5	I327 K328 E352 L353	I327-I340 CarbonylContact C-O 3.56Å; I327-I340 WeakPolarHBondContact CA-O 3.28Å; K328-I340 PolarHBondContact N-O 3.03Å; K328-I340 PolarHBondContact O-N 2.94Å; I340-E352 HydrophobicContact CG2-CB 4.43Å; I340-L353 CarbonylContact C-O 3.47Å; I340-L353 WeakPolarHBondContact CA-O 3.42Å
341	V	93.1	Very high	76.3	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.7	172.5	179.4	0	0	0	0	108.1	I325 S326 I327 E352 L353 F355 A361 F364 V365	I325-V341 HydrophobicContact CG2-CG1 3.61Å; S326-V341 WeakPolarHBondContact O-CA 3.2Å; I327-V341 HydrophobicContact CG1-CG2 4.45Å; V341-E352 WeakPolarHBondContact O-CA 3.47Å; V341-L353 PolarHBondContact N-O 2.65Å; V341-L353 PolarHBondContact O-N 3.12Å; V341-F355 HydrophobicContact CB-CD2 4.06Å; V341-F355 HydrophobicContact CB-CE2 3.82Å; V341-F355 HydrophobicContact CG2-CD2 3.52Å; V341-F355 HydrophobicContact CG2-CE2 3.61Å; V341-F355 HydrophobicContact CG2-CG 4.47Å; V341-A361 HydrophobicContact CG2-CB 3.82Å; V341-F364 HydrophobicContact CG1-CD1 4.11Å; V341-F364 HydrophobicContact CG1-CE1 3.98Å; V341-V365 HydrophobicContact CG1-CG2 3.68Å; V341-V365 HydrophobicContact CG2-CG2 4.16Å
342	S	92	Very high	77.7	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.4	176	-47.7	0	0	0	0	109.7	I325 S326 L351 E352	I325-S342 WeakPolarHBondContact CA-O 3.48Å; S326-S342 PolarHBondContact N-O 3.35Å; S326-S342 PolarHBondContact O-N 3.43Å; S342-L351 CarbonylContact C-O 3.49Å; S342-L351 WeakPolarHBondContact CA-O 3.46Å; S342-E352 PolarHBondContact OG-OE1 3.4Å
343	L	92.6	Very high	79.2	Confident	3 Å²	3	50 Å²	50	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.4	-179.6	-179.5	160.7	0	0	0	110.6	I298 Y316 V322 I325 R345 I350 L351 V368	I298-L343 HydrophobicContact CD1-CD1 3.4Å; I298-L343 VanDerWaalsContact CD1-CD1 3.4Å; Y316-L343 HydrophobicContact CE1-CD2 3.9Å; V322-L343 HydrophobicContact CB-CD2 4.44Å; V322-L343 HydrophobicContact CG1-CD1 4.25Å; V322-L343 HydrophobicContact CG1-CD2 3.9Å; V322-L343 HydrophobicContact CG1-CG 3.74Å; V322-L343 HydrophobicContact CG2-CD1 4.14Å; V322-L343 HydrophobicContact CG2-CD2 3.89Å; V322-L343 HydrophobicContact CG2-CG 4.25Å; I325-L343 HydrophobicContact CD1-CD1 4.39Å; I325-L343 HydrophobicContact CG1-CB 4.42Å; I325-L343 HydrophobicContact CG1-CG 4.18Å; L343-R345 HydrophobicContact CD2-CG 3.99Å; L343-I350 WeakPolarHBondContact O-CA 3.48Å; L343-I350 VanDerWaalsContact O-CG2 3.23Å; L343-I350 WeakPolarHBondContact O-CG2 3.45Å; L343-L351 PolarHBondContact N-O 3.14Å; L343-L351 PolarHBondContact O-N 3.44Å; L343-V368 HydrophobicContact CD1-CG1 4.48Å
344	T	88.7	Confident	81.4	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.3	-175.1	-61.2	0	0	0	0	111.5	V322 I323 D324 I350 W656	V322-T344 CarbonylContact C-O 3.56Å; I323-T344 PolarHBondContact N-O 3.4Å; D324-T344 PolarHBondContact O-N 3.04Å; D324-T344 VanDerWaalsContact OD1-CB 3.29Å; D324-T344 WeakPolarHBondContact OD1-CB 3.34Å; T344-I350 HydrophobicContact CG2-CD1 3.63Å; T344-I350 HydrophobicContact CG2-CG1 3.94Å; T344-I350 VanDerWaalsContact OG1-CD1 3.3Å; T344-I350 WeakPolarHBondContact OG1-CD1 3.44Å; T344-W656 HydrophobicContact CG2-CH2 4.19Å; T344-W656 HydrophobicContact CG2-CZ2 3.84Å
345	R	86	Confident	83.4	Confident	35 Å²	35	37.4 Å²	37.4	13%	0.132	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	163.9	178.6	-67.4	174.9	64.4	-158.5	7.5	112.5	Y316 C317 E321 L343 D347 N348 Q349 W656	Y316-R345 HydrophobicContact CE1-CG 4.27Å; Y316-R345 VanDerWaalsContact OH-CD 3.23Å; Y316-R345 WeakPolarHBondContact OH-CD 3.43Å; C317-R345 HydrophobicContact CB-CG 4.38Å; E321-R345 CarbonylContact O-C 3.59Å; E321-R345 VanDerWaalsContact O-CA 3.29Å; E321-R345 WeakPolarHBondContact O-CA 3.35Å; E321-R345 IonicContact OE2-CZ 3.25Å; E321-R345 IonicContact OE2-NE 3.13Å; E321-R345 IonicContact OE2-NH2 2.66Å; E321-R345 PolarHBondContact OE2-NH2 2.97Å; L343-R345 HydrophobicContact CD2-CG 3.99Å; R345-D347 VanDerWaalsContact CB-OD1 3.22Å; R345-D347 WeakPolarHBondContact CB-OD1 3.48Å; R345-D347 IonicContact CZ-OD2 3.35Å; R345-D347 IonicContact NH1-OD2 3.81Å; R345-D347 PolarHBondContact NH1-OD2 3.26Å; R345-D347 IonicContact NH2-OD2 2.92Å; R345-D347 PolarHBondContact O-N 2.9Å; R345-N348 WeakPolarHBondContact O-CA 3.32Å; R345-N348 PolarHBondContact O-N 2.91Å; R345-Q349 WeakPolarHBondContact CB-O 3.34Å; R345-Q349 PolarHBondContact N-O 3.26Å; R345-W656 VanDerWaalsContact O-CH2 3.26Å; R345-W656 WeakPolarHBondContact O-CH2 3.47Å
346	Q	79.9	Confident	85.1	Confident	79 Å²	79	42.1 Å²	42.1	37%	0.369	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.3	175.9	-83.2	174.3	-6.7	0	0	114.8	P320 E321 I323 N348 W656	P320-Q346 PolarHBondContact O-NE2 3.28Å; E321-Q346 WeakPolarHBondContact O-CG 3.31Å; E321-Q346 PolarHBondContact O-N 2.97Å; I323-Q346 HydrophobicContact CD1-CG 3.65Å; I323-Q346 HydrophobicContact CG1-CB 4.45Å; I323-Q346 HydrophobicContact CG1-CG 3.87Å; Q346-N348 PolarHBondContact O-N 3.1Å; Q346-W656 VanDerWaalsContact O-CZ3 3.27Å; Q346-W656 WeakPolarHBondContact O-CZ3 3.37Å
347	D	70.4	Confident	86.4	Confident	82 Å²	82	41.1 Å²	41.1	44%	0.439	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	8.2	174.1	63.4	-0.9	0	0	0	112.8	R345 Q349	R345-D347 VanDerWaalsContact CB-OD1 3.22Å; R345-D347 WeakPolarHBondContact CB-OD1 3.48Å; R345-D347 IonicContact CZ-OD2 3.35Å; R345-D347 IonicContact NH1-OD2 3.81Å; R345-D347 PolarHBondContact NH1-OD2 3.26Å; R345-D347 IonicContact NH2-OD2 2.92Å; R345-D347 PolarHBondContact O-N 2.9Å; D347-Q349 PolarHBondContact O-N 3.15Å; D347-Q349 VanDerWaalsContact OD1-CB 3.23Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.45Å; D347-Q349 WeakPolarHBondContact OD1-CG 3.25Å; D347-Q349 PolarHBondContact OD1-N 2.97Å; D347-Q349 VanDerWaalsContact OD2-CD 3.3Å; D347-Q349 WeakPolarHBondContact OD2-CG 3.31Å
348	N	71.9	Confident	87.2	Confident	51 Å²	51	38.3 Å²	38.3	27%	0.273	19%	0.186	S	C	.	.	S	Bend	trans	60.2	20.1	-175.2	-173.6	75.6	0	0	0	113.1	R345 Q346 K604 W656	R345-N348 WeakPolarHBondContact O-CA 3.32Å; R345-N348 PolarHBondContact O-N 2.91Å; Q346-N348 PolarHBondContact O-N 3.1Å; N348-K604 PolarHBondContact ND2-NZ 3Å; N348-W656 HydrophobicContact CB-CD2 4.27Å; N348-W656 HydrophobicContact CB-CE3 4.46Å; N348-W656 HydrophobicContact CB-CH2 4.1Å; N348-W656 HydrophobicContact CB-CZ2 3.9Å; N348-W656 HydrophobicContact CB-CZ3 4.39Å; N348-W656 WeakPolarHBondContact OD1-CZ2 3.3Å; N348-W656 PolarHBondContact OD1-NE1 2.92Å
349	Q	78.1	Confident	87.6	Confident	82 Å²	82	40.5 Å²	40.5	38%	0.383	20%	0.202	S	C	.	.			trans	-78.4	145.4	162.2	-66.2	-173.9	0.6	0	0	109.8	R345 D347	R345-Q349 WeakPolarHBondContact CB-O 3.34Å; R345-Q349 PolarHBondContact N-O 3.26Å; D347-Q349 PolarHBondContact O-N 3.15Å; D347-Q349 VanDerWaalsContact OD1-CB 3.23Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.45Å; D347-Q349 WeakPolarHBondContact OD1-CG 3.25Å; D347-Q349 PolarHBondContact OD1-N 2.97Å; D347-Q349 VanDerWaalsContact OD2-CD 3.3Å; D347-Q349 WeakPolarHBondContact OD2-CG 3.31Å
350	I	84.4	Confident	87.8	Confident	46 Å²	46	41.5 Å²	41.5	24%	0.236	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.4	-173.5	-43.6	-173.4	0	0	0	109.3	L343 T344 W830	L343-I350 WeakPolarHBondContact O-CA 3.48Å; L343-I350 VanDerWaalsContact O-CG2 3.23Å; L343-I350 WeakPolarHBondContact O-CG2 3.45Å; T344-I350 HydrophobicContact CG2-CD1 3.63Å; T344-I350 HydrophobicContact CG2-CG1 3.94Å; T344-I350 VanDerWaalsContact OG1-CD1 3.3Å; T344-I350 WeakPolarHBondContact OG1-CD1 3.44Å; I350-W830 HydrophobicContact CB-CE3 3.4Å; I350-W830 VanDerWaalsContact CB-CE3 3.4Å; I350-W830 HydrophobicContact CB-CH2 3.78Å; I350-W830 HydrophobicContact CB-CZ3 2.92Å; I350-W830 HydrophobicContact CD1-CE3 3.35Å; I350-W830 HydrophobicContact CD1-CH2 4.37Å; I350-W830 HydrophobicContact CD1-CZ3 3.13Å; I350-W830 HydrophobicContact CG1-CE3 3.55Å; I350-W830 HydrophobicContact CG1-CH2 4.48Å; I350-W830 HydrophobicContact CG1-CZ3 3.31Å; I350-W830 HydrophobicContact CG2-CE3 3.99Å; I350-W830 HydrophobicContact CG2-CH2 3.34Å; I350-W830 HydrophobicContact CG2-CZ3 2.99Å
351	L	88.1	Confident	88.1	Confident	18 Å²	18	40 Å²	40	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.6	173.9	176.5	67.3	0	0	0	109	W300 Y316 S342 L343 L353	W300-L351 HydrophobicContact CE3-CD1 4.48Å; W300-L351 HydrophobicContact CZ3-CD1 4.26Å; Y316-L351 HydrophobicContact CD1-CD2 3.79Å; Y316-L351 HydrophobicContact CD2-CD2 4.28Å; Y316-L351 HydrophobicContact CE1-CB 3.8Å; Y316-L351 HydrophobicContact CE1-CD2 3.72Å; Y316-L351 HydrophobicContact CE1-CG 4.38Å; Y316-L351 HydrophobicContact CE2-CB 3.98Å; Y316-L351 HydrophobicContact CE2-CD1 4.35Å; Y316-L351 HydrophobicContact CE2-CD2 4.2Å; Y316-L351 HydrophobicContact CE2-CG 4.42Å; Y316-L351 HydrophobicContact CG-CD2 4.1Å; Y316-L351 VanDerWaalsContact CZ-CB 3.42Å; Y316-L351 VanDerWaalsContact OH-CB 3.26Å; Y316-L351 WeakPolarHBondContact OH-CB 3.22Å; Y316-L351 PolarHBondContact OH-N 3.13Å; S342-L351 CarbonylContact C-O 3.49Å; S342-L351 WeakPolarHBondContact CA-O 3.46Å; L343-L351 PolarHBondContact N-O 3.14Å; L343-L351 PolarHBondContact O-N 3.44Å; L351-L353 HydrophobicContact CD1-CD2 3.9Å; L351-L353 HydrophobicContact CD1-CG 4.43Å; L351-L353 HydrophobicContact CD2-CD1 3.96Å; L351-L353 HydrophobicContact CD2-CD2 4.16Å; L351-L353 HydrophobicContact CD2-CG 4.13Å; L351-L353 HydrophobicContact CG-CD1 4.28Å; L351-L353 HydrophobicContact CG-CD2 3.92Å; L351-L353 HydrophobicContact CG-CG 3.91Å
352	E	90.3	Very high	88.2	Confident	25 Å²	25	41.4 Å²	41.4	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.5	173.7	-59.7	-152.8	102.1	0	0	110.3	L283 I340 V341 S342 W830	L283-E352 HydrophobicContact CD1-CB 4.06Å; L283-E352 HydrophobicContact CD1-CG 4.36Å; L283-E352 WeakPolarHBondContact CD1-OE2 3.49Å; L283-E352 HydrophobicContact CD2-CB 4.04Å; L283-E352 HydrophobicContact CG-CB 3.97Å; I340-E352 HydrophobicContact CG2-CB 4.43Å; V341-E352 WeakPolarHBondContact O-CA 3.47Å; S342-E352 PolarHBondContact OG-OE1 3.4Å; E352-W830 HydrophobicContact CG-CH2 3.77Å; E352-W830 HydrophobicContact CG-CZ2 3.7Å; E352-W830 WeakPolarHBondContact OE1-CZ2 3.29Å; E352-W830 WeakPolarHBondContact OE2-CZ2 3.39Å
353	L	91.3	Very high	88.5	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.6	-178.2	-57.5	173.3	0	0	0	109.3	V280 I290 I340 V341 L351 F355 F364	V280-L353 HydrophobicContact CB-CB 4.41Å; V280-L353 HydrophobicContact CG2-CB 4.26Å; V280-L353 HydrophobicContact CG2-CD1 4.37Å; V280-L353 HydrophobicContact CG2-CD2 3.88Å; V280-L353 HydrophobicContact CG2-CG 4.39Å; I290-L353 HydrophobicContact CD1-CD1 4.07Å; I290-L353 HydrophobicContact CD1-CD2 4.25Å; I290-L353 HydrophobicContact CG1-CD1 3.82Å; I290-L353 HydrophobicContact CG1-CD2 4.46Å; I340-L353 CarbonylContact C-O 3.47Å; I340-L353 WeakPolarHBondContact CA-O 3.42Å; V341-L353 PolarHBondContact N-O 2.65Å; V341-L353 PolarHBondContact O-N 3.12Å; L351-L353 HydrophobicContact CD1-CD2 3.9Å; L351-L353 HydrophobicContact CD1-CG 4.43Å; L351-L353 HydrophobicContact CD2-CD1 3.96Å; L351-L353 HydrophobicContact CD2-CD2 4.16Å; L351-L353 HydrophobicContact CD2-CG 4.13Å; L351-L353 HydrophobicContact CG-CD1 4.28Å; L351-L353 HydrophobicContact CG-CD2 3.92Å; L351-L353 HydrophobicContact CG-CG 3.91Å; L353-F355 HydrophobicContact CB-CD2 4.36Å; L353-F355 HydrophobicContact CB-CE2 3.88Å; L353-F355 HydrophobicContact CD1-CE2 4.35Å; L353-F364 HydrophobicContact CD1-CE1 4.43Å; L353-F364 HydrophobicContact CD1-CZ 4.33Å
354	E	92.3	Very high	88.8	Confident	30 Å²	30	41.5 Å²	41.5	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.9	172	-178.4	180	-160.5	0	0	109.9	T281 K332 S338 R339	T281-E354 PolarHBondContact N-O 2.87Å; T281-E354 PolarHBondContact O-N 3.06Å; T281-E354 WeakPolarHBondContact OG1-CB 3.42Å; T281-E354 PolarHBondContact OG1-OE2 2.82Å; K332-E354 IonicContact NZ-OE1 3.2Å; K332-E354 IonicContact NZ-OE2 3.18Å; K332-E354 PolarHBondContact NZ-OE2 3.32Å; S338-E354 PolarHBondContact OG-OE1 3.44Å; S338-E354 VanDerWaalsContact OG-OE1 3.07Å; R339-E354 WeakPolarHBondContact O-CA 3.39Å
355	F	92.7	Very high	89.2	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.6	172.8	-73.4	-103.3	0	0	0	109.9	F278 V280 S338 R339 V341 L353 E360 A361 F364	F278-F355 HydrophobicContact CB-CE1 4.05Å; F278-F355 AromaticContact CD1-CE1 3.89Å; F278-F355 HydrophobicContact CD1-CE1 3.89Å; F278-F355 HydrophobicContact CG-CE1 4.18Å; V280-F355 HydrophobicContact CG1-CD1 3.73Å; V280-F355 HydrophobicContact CG1-CD2 4.01Å; V280-F355 HydrophobicContact CG1-CE1 3.52Å; V280-F355 HydrophobicContact CG1-CE2 3.8Å; V280-F355 HydrophobicContact CG1-CG 3.97Å; V280-F355 HydrophobicContact CG1-CZ 3.55Å; S338-F355 VanDerWaalsContact CA-O 3.28Å; S338-F355 WeakPolarHBondContact CA-O 3.49Å; S338-F355 WeakPolarHBondContact CB-O 3.37Å; R339-F355 PolarHBondContact N-O 2.74Å; R339-F355 PolarHBondContact O-N 3.48Å; V341-F355 HydrophobicContact CB-CD2 4.06Å; V341-F355 HydrophobicContact CB-CE2 3.82Å; V341-F355 HydrophobicContact CG2-CD2 3.52Å; V341-F355 HydrophobicContact CG2-CE2 3.61Å; V341-F355 HydrophobicContact CG2-CG 4.47Å; L353-F355 HydrophobicContact CB-CD2 4.36Å; L353-F355 HydrophobicContact CB-CE2 3.88Å; L353-F355 HydrophobicContact CD1-CE2 4.35Å; F355-E360 HydrophobicContact CD1-CB 4.03Å; F355-A361 HydrophobicContact CB-CB 4Å; F355-A361 HydrophobicContact CD1-CB 4.47Å; F355-A361 HydrophobicContact CD2-CB 4.35Å; F355-A361 HydrophobicContact CG-CB 4.03Å; F355-F364 HydrophobicContact CE1-CB 3.68Å; F355-F364 HydrophobicContact CE1-CD1 4.34Å; F355-F364 AromaticContact CE1-CG 3.98Å; F355-F364 HydrophobicContact CE1-CG 3.98Å; F355-F364 AromaticContact CE2-CD1 3.89Å; F355-F364 HydrophobicContact CE2-CD1 3.89Å; F355-F364 HydrophobicContact CE2-CE1 4.35Å; F355-F364 HydrophobicContact CE2-CG 4.35Å; F355-F364 HydrophobicContact CZ-CB 3.64Å; F355-F364 AromaticContact CZ-CD1 3.42Å; F355-F364 HydrophobicContact CZ-CD1 3.42Å; F355-F364 VanDerWaalsContact CZ-CD1 3.42Å; F355-F364 HydrophobicContact CZ-CD2 4.1Å; F355-F364 HydrophobicContact CZ-CE1 4.07Å; F355-F364 AromaticContact CZ-CG 3.43Å; F355-F364 HydrophobicContact CZ-CG 3.43Å; F355-F364 VanDerWaalsContact CZ-CG 3.43Å
356	Q	89.8	Confident	89.8	Confident	144 Å²	144	39.6 Å²	39.6	67%	0.673	20%	0.201	S	C	*	.	S	Bend	trans	-72.1	-36.9	-179.3	-63.2	-172.8	3.2	0	0	112.1	E337 S338	E337-Q356 CarbonylContact C-O 3.56Å; S338-Q356 WeakPolarHBondContact CA-O 3.48Å; S338-Q356 PolarHBondContact N-O 2.81Å
357	L	90.9	Very high	90.7	Very high	60 Å²	60	35.9 Å²	35.9	31%	0.314	18%	0.184	S	C	.	.			trans	-122	143.6	-176.5	-58.9	174.6	0	0	0	111.6	E337 S359 E360 A361	E337-L357 WeakPolarHBondContact OE2-CD2 3.47Å; L357-S359 VanDerWaalsContact C-N 3.28Å; L357-S359 PolarHBondContact O-N 3.23Å; L357-E360 HydrophobicContact CB-CB 4.37Å; L357-E360 HydrophobicContact CB-CG 4.12Å; L357-E360 HydrophobicContact CD1-CG 4.36Å; L357-E360 PolarHBondContact O-N 2.72Å; L357-A361 PolarHBondContact O-N 3.21Å; L357-A361 VanDerWaalsContact O-N 3.12Å
358	L	92.7	Very high	92	Very high	63 Å²	63	32 Å²	32	33%	0.33	16%	0.163	S	C	.	.	H	α-helix	trans	-59.9	-38.1	171	173.6	61.7	0	0	0	112.1	I327 E337 R339 E360 A361 L362	I327-L358 HydrophobicContact CG2-CD1 4.47Å; E337-L358 PolarHBondContact O-N 3.04Å; R339-L358 HydrophobicContact CG-CB 3.95Å; R339-L358 HydrophobicContact CG-CD1 3.77Å; R339-L358 HydrophobicContact CG-CG 4.46Å; L358-E360 VanDerWaalsContact C-N 3.33Å; L358-E360 PolarHBondContact O-N 2.81Å; L358-A361 PolarHBondContact O-N 3.1Å; L358-L362 HydrophobicContact CD1-CD1 3.92Å; L358-L362 HydrophobicContact CD1-CD2 4.31Å; L358-L362 HydrophobicContact CD1-CG 3.81Å; L358-L362 HydrophobicContact CD2-CD1 4.46Å; L358-L362 HydrophobicContact CG-CD1 3.85Å; L358-L362 HydrophobicContact CG-CG 4.21Å; L358-L362 WeakPolarHBondContact O-CB 3.46Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.46Å; L358-L362 PolarHBondContact O-N 2.97Å
359	S	93.5	Very high	93.3	Very high	50 Å²	50	29.5 Å²	29.5	35%	0.35	15%	0.15	S	C	.	.	H	α-helix	trans	-62.2	-40	179	54.5	0	0	0	0	112.2	L357 S363	L357-S359 VanDerWaalsContact C-N 3.28Å; L357-S359 PolarHBondContact O-N 3.23Å; S359-S363 VanDerWaalsContact O-CB 3.25Å; S359-S363 WeakPolarHBondContact O-CB 3.33Å; S359-S363 PolarHBondContact O-N 2.99Å
360	E	94.9	Very high	94.2	Very high	61 Å²	61	25.8 Å²	25.8	29%	0.285	13%	0.133	S	C	.	.	H	α-helix	trans	-68.4	-41.8	175	-67.5	-175.9	139.4	0	0	112	I101 F355 L357 L358 S363 F364	I101-E360 HydrophobicContact CD1-CG 4.13Å; F355-E360 HydrophobicContact CD1-CB 4.03Å; L357-E360 HydrophobicContact CB-CB 4.37Å; L357-E360 HydrophobicContact CB-CG 4.12Å; L357-E360 HydrophobicContact CD1-CG 4.36Å; L357-E360 PolarHBondContact O-N 2.72Å; L358-E360 VanDerWaalsContact C-N 3.33Å; L358-E360 PolarHBondContact O-N 2.81Å; E360-S363 WeakPolarHBondContact O-CB 3.43Å; E360-S363 PolarHBondContact O-N 2.81Å; E360-F364 WeakPolarHBondContact O-CB 3.47Å; E360-F364 PolarHBondContact O-N 2.89Å
361	A	95.7	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-49.1	175	0	0	0	0	0	111.3	R339 V341 F355 L357 L358 S363 F364 V365	R339-A361 HydrophobicContact CB-CB 3.93Å; R339-A361 HydrophobicContact CG-CB 4.46Å; V341-A361 HydrophobicContact CG2-CB 3.82Å; F355-A361 HydrophobicContact CB-CB 4Å; F355-A361 HydrophobicContact CD1-CB 4.47Å; F355-A361 HydrophobicContact CD2-CB 4.35Å; F355-A361 HydrophobicContact CG-CB 4.03Å; L357-A361 PolarHBondContact O-N 3.21Å; L357-A361 VanDerWaalsContact O-N 3.12Å; L358-A361 PolarHBondContact O-N 3.1Å; A361-S363 VanDerWaalsContact C-N 3.33Å; A361-S363 PolarHBondContact O-N 2.9Å; A361-F364 PolarHBondContact O-N 2.87Å; A361-V365 VanDerWaalsContact O-CG2 3.29Å; A361-V365 WeakPolarHBondContact O-CG2 3.47Å; A361-V365 PolarHBondContact O-N 3.35Å
362	L	97	Very high	95.3	Very high	29 Å²	29	22.9 Å²	22.9	15%	0.152	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-39.2	176.9	-68	172	0	0	0	112.1	P104 I327 L358 S366 V386	P104-L362 HydrophobicContact CG-CB 4.15Å; I327-L362 HydrophobicContact CD1-CD2 3.71Å; L358-L362 HydrophobicContact CD1-CD1 3.92Å; L358-L362 HydrophobicContact CD1-CD2 4.31Å; L358-L362 HydrophobicContact CD1-CG 3.81Å; L358-L362 HydrophobicContact CD2-CD1 4.46Å; L358-L362 HydrophobicContact CG-CD1 3.85Å; L358-L362 HydrophobicContact CG-CG 4.21Å; L358-L362 WeakPolarHBondContact O-CB 3.46Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.46Å; L358-L362 PolarHBondContact O-N 2.97Å; L362-S366 VanDerWaalsContact O-CB 3.29Å; L362-S366 WeakPolarHBondContact O-CB 3.11Å; L362-S366 PolarHBondContact O-N 3.36Å; L362-S366 PolarHBondContact O-OG 3.29Å; L362-V386 HydrophobicContact CB-CG1 4.46Å; L362-V386 HydrophobicContact CD2-CG1 3.74Å
363	S	97.9	Very high	95.6	Very high	5 Å²	5	23 Å²	23	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-47	173.9	177.3	0	0	0	0	111.5	Y102 R124 S359 E360 A361 S366 L367	Y102-S363 WeakPolarHBondContact O-CB 3.32Å; R124-S363 PolarHBondContact NH1-O 2.97Å; R124-S363 PolarHBondContact NH2-O 2.99Å; R124-S363 PolarHBondContact NH2-OG 3.45Å; S359-S363 VanDerWaalsContact O-CB 3.25Å; S359-S363 WeakPolarHBondContact O-CB 3.33Å; S359-S363 PolarHBondContact O-N 2.99Å; E360-S363 WeakPolarHBondContact O-CB 3.43Å; E360-S363 PolarHBondContact O-N 2.81Å; A361-S363 VanDerWaalsContact C-N 3.33Å; A361-S363 PolarHBondContact O-N 2.9Å; S363-S366 PolarHBondContact O-OG 3.17Å; S363-L367 PolarHBondContact O-N 3.04Å; S363-L367 VanDerWaalsContact O-N 3.09Å
364	F	98.1	Very high	95.9	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-49.1	177.4	169.6	-105.9	0	0	0	112.1	F278 I290 V292 V341 L353 F355 E360 A361 S366 L367 V368	F278-F364 HydrophobicContact CD1-CB 4.04Å; F278-F364 AromaticContact CD2-CD2 3.74Å; F278-F364 HydrophobicContact CD2-CD2 3.74Å; F278-F364 HydrophobicContact CD2-CE2 4.5Å; F278-F364 HydrophobicContact CE1-CB 3.79Å; F278-F364 HydrophobicContact CE2-CB 4.37Å; F278-F364 AromaticContact CE2-CD2 3.81Å; F278-F364 HydrophobicContact CE2-CD2 3.81Å; F278-F364 HydrophobicContact CG-CB 4.43Å; F278-F364 HydrophobicContact CG-CD2 4.15Å; F278-F364 HydrophobicContact CZ-CB 3.98Å; F278-F364 HydrophobicContact CZ-CD2 4.27Å; I290-F364 HydrophobicContact CG2-CE2 3.79Å; I290-F364 HydrophobicContact CG2-CZ 4.38Å; V292-F364 HydrophobicContact CG2-CD2 4.38Å; V292-F364 HydrophobicContact CG2-CE2 3.91Å; V341-F364 HydrophobicContact CG1-CD1 4.11Å; V341-F364 HydrophobicContact CG1-CE1 3.98Å; L353-F364 HydrophobicContact CD1-CE1 4.43Å; L353-F364 HydrophobicContact CD1-CZ 4.33Å; F355-F364 HydrophobicContact CE1-CB 3.68Å; F355-F364 HydrophobicContact CE1-CD1 4.34Å; F355-F364 AromaticContact CE1-CG 3.98Å; F355-F364 HydrophobicContact CE1-CG 3.98Å; F355-F364 AromaticContact CE2-CD1 3.89Å; F355-F364 HydrophobicContact CE2-CD1 3.89Å; F355-F364 HydrophobicContact CE2-CE1 4.35Å; F355-F364 HydrophobicContact CE2-CG 4.35Å; F355-F364 HydrophobicContact CZ-CB 3.64Å; F355-F364 AromaticContact CZ-CD1 3.42Å; F355-F364 HydrophobicContact CZ-CD1 3.42Å; F355-F364 VanDerWaalsContact CZ-CD1 3.42Å; F355-F364 HydrophobicContact CZ-CD2 4.1Å; F355-F364 HydrophobicContact CZ-CE1 4.07Å; F355-F364 AromaticContact CZ-CG 3.43Å; F355-F364 HydrophobicContact CZ-CG 3.43Å; F355-F364 VanDerWaalsContact CZ-CG 3.43Å; E360-F364 WeakPolarHBondContact O-CB 3.47Å; E360-F364 PolarHBondContact O-N 2.89Å; A361-F364 PolarHBondContact O-N 2.87Å; F364-S366 VanDerWaalsContact C-N 3.34Å; F364-S366 PolarHBondContact O-N 2.63Å; F364-L367 WeakPolarHBondContact O-CB 3.22Å; F364-L367 PolarHBondContact O-N 3.45Å; F364-L367 VanDerWaalsContact O-N 3.13Å; F364-V368 HydrophobicContact CD2-CG2 4.35Å; F364-V368 HydrophobicContact CE1-CG2 4.35Å; F364-V368 HydrophobicContact CE2-CG2 3.85Å; F364-V368 HydrophobicContact CZ-CG2 3.85Å; F364-V368 PolarHBondContact O-N 2.83Å; F364-V368 VanDerWaalsContact O-N 3.1Å
365	V	98.1	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-40.4	-177.6	-179.9	0	0	0	0	110.8	I325 I327 V341 A361 L367 V368 D369 C383 V386	I325-V365 HydrophobicContact CB-CG1 4.12Å; I325-V365 HydrophobicContact CD1-CG1 4.22Å; I325-V365 HydrophobicContact CG2-CB 4.42Å; I325-V365 HydrophobicContact CG2-CG1 3.77Å; I325-V365 HydrophobicContact CG2-CG2 3.72Å; I327-V365 HydrophobicContact CD1-CB 4.3Å; I327-V365 HydrophobicContact CD1-CG2 3.91Å; I327-V365 HydrophobicContact CG1-CG2 4.06Å; V341-V365 HydrophobicContact CG1-CG2 3.68Å; V341-V365 HydrophobicContact CG2-CG2 4.16Å; A361-V365 VanDerWaalsContact O-CG2 3.29Å; A361-V365 WeakPolarHBondContact O-CG2 3.47Å; A361-V365 PolarHBondContact O-N 3.35Å; V365-L367 VanDerWaalsContact C-N 3.3Å; V365-L367 PolarHBondContact O-N 3.3Å; V365-V368 PolarHBondContact O-N 3.23Å; V365-D369 WeakPolarHBondContact O-CB 3.48Å; V365-D369 PolarHBondContact O-N 2.79Å; V365-C383 HydrophobicContact CG1-CB 3.59Å; V365-V386 HydrophobicContact CB-CG1 4.34Å; V365-V386 HydrophobicContact CB-CG2 4.42Å; V365-V386 HydrophobicContact CG1-CG1 4.33Å; V365-V386 HydrophobicContact CG1-CG2 3.72Å
366	S	98.3	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-30.1	174.4	58.9	0	0	0	0	113.5	R124 Y125 L362 S363 F364 G370	R124-S366 PolarHBondContact NH1-OG 2.73Å; Y125-S366 PolarHBondContact OH-O 3.49Å; L362-S366 VanDerWaalsContact O-CB 3.29Å; L362-S366 WeakPolarHBondContact O-CB 3.11Å; L362-S366 PolarHBondContact O-N 3.36Å; L362-S366 PolarHBondContact O-OG 3.29Å; S363-S366 PolarHBondContact O-OG 3.17Å; F364-S366 VanDerWaalsContact C-N 3.34Å; F364-S366 PolarHBondContact O-N 2.63Å; S366-G370 PolarHBondContact O-N 3.48Å
367	L	98.6	Very high	96.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-66.2	-49.1	173	-175.3	61.3	0	0	0	111.7	R124 Y125 E276 F278 V292 S363 F364 V365 G370 Y371	R124-L367 HydrophobicContact CG-CD1 4.18Å; Y125-L367 HydrophobicContact CD1-CD1 4.22Å; Y125-L367 HydrophobicContact CE1-CD1 3.95Å; Y125-L367 WeakPolarHBondContact CE1-O 3.44Å; E276-L367 HydrophobicContact CB-CD2 3.65Å; E276-L367 HydrophobicContact CG-CD2 4.03Å; E276-L367 WeakPolarHBondContact OE1-CD1 3.49Å; F278-L367 HydrophobicContact CE2-CD2 3.88Å; F278-L367 HydrophobicContact CZ-CD2 4.21Å; V292-L367 HydrophobicContact CB-CD2 3.65Å; V292-L367 HydrophobicContact CB-CG 4.41Å; V292-L367 HydrophobicContact CG1-CD2 3.81Å; V292-L367 HydrophobicContact CG1-CG 4.03Å; V292-L367 HydrophobicContact CG2-CD2 4.08Å; S363-L367 PolarHBondContact O-N 3.04Å; S363-L367 VanDerWaalsContact O-N 3.09Å; F364-L367 WeakPolarHBondContact O-CB 3.22Å; F364-L367 PolarHBondContact O-N 3.45Å; F364-L367 VanDerWaalsContact O-N 3.13Å; V365-L367 VanDerWaalsContact C-N 3.3Å; V365-L367 PolarHBondContact O-N 3.3Å; L367-G370 PolarHBondContact O-N 3.15Å; L367-Y371 HydrophobicContact CD1-CD2 3.84Å; L367-Y371 HydrophobicContact CD1-CE2 3.48Å; L367-Y371 VanDerWaalsContact CD1-CE2 3.48Å; L367-Y371 HydrophobicContact CG-CD2 4.06Å; L367-Y371 HydrophobicContact CG-CE2 4.02Å; L367-Y371 WeakPolarHBondContact O-CD2 3.42Å; L367-Y371 PolarHBondContact O-N 2.5Å; L367-Y371 VanDerWaalsContact O-N 3.07Å
368	V	98.4	Very high	96.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-45	-180	179.1	0	0	0	0	110.6	I298 F319 I325 L343 F364 V365 G370 Y371 Y372 L382	I298-V368 HydrophobicContact CD1-CG1 3.92Å; I298-V368 HydrophobicContact CD1-CG2 4.05Å; F319-V368 HydrophobicContact CD1-CG1 4.35Å; I325-V368 HydrophobicContact CD1-CB 3.94Å; I325-V368 HydrophobicContact CD1-CG1 3.67Å; L343-V368 HydrophobicContact CD1-CG1 4.48Å; F364-V368 HydrophobicContact CD2-CG2 4.35Å; F364-V368 HydrophobicContact CE1-CG2 4.35Å; F364-V368 HydrophobicContact CE2-CG2 3.85Å; F364-V368 HydrophobicContact CZ-CG2 3.85Å; F364-V368 PolarHBondContact O-N 2.83Å; F364-V368 VanDerWaalsContact O-N 3.1Å; V365-V368 PolarHBondContact O-N 3.23Å; V368-G370 PolarHBondContact O-N 3.2Å; V368-Y371 PolarHBondContact O-N 2.96Å; V368-Y372 VanDerWaalsContact O-CB 3.31Å; V368-Y372 WeakPolarHBondContact O-CB 3.45Å; V368-Y372 PolarHBondContact O-N 3.23Å; V368-L382 HydrophobicContact CG1-CD1 4.09Å
369	D	98.1	Very high	96.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.4	-38.6	178.7	176.5	69	0	0	0	112.9	V365 R373 Y381 L382 V386	V365-D369 WeakPolarHBondContact O-CB 3.48Å; V365-D369 PolarHBondContact O-N 2.79Å; D369-R373 PolarHBondContact O-N 3.42Å; D369-R373 VanDerWaalsContact O-N 3.08Å; D369-R373 IonicContact OD1-NH1 2.86Å; D369-R373 PolarHBondContact OD1-NH1 2.88Å; D369-R373 IonicContact OD2-CZ 2.68Å; D369-R373 IonicContact OD2-NH1 3.06Å; D369-R373 PolarHBondContact OD2-NH1 3.07Å; D369-R373 IonicContact OD2-NH2 3.52Å; D369-R373 PolarHBondContact OD2-NH2 3.39Å; D369-Y381 WeakPolarHBondContact OD1-CA 3.15Å; D369-L382 PolarHBondContact OD1-N 3.21Å; D369-V386 HydrophobicContact CB-CG2 4.23Å
370	G	97.9	Very high	96.5	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-71.5	-40.7	175.3	0	0	0	0	0	114	Y125 S366 L367 V368 Y372 R373 L374	Y125-G370 VanDerWaalsContact CE1-CA 3.46Å; S366-G370 PolarHBondContact O-N 3.48Å; L367-G370 PolarHBondContact O-N 3.15Å; V368-G370 PolarHBondContact O-N 3.2Å; G370-Y372 VanDerWaalsContact C-N 3.34Å; G370-R373 PolarHBondContact O-N 3.41Å; G370-L374 WeakPolarHBondContact O-CG 3.4Å; G370-L374 PolarHBondContact O-N 3.35Å; G370-L374 VanDerWaalsContact O-N 3.17Å
371	Y	98.3	Very high	96.5	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-64.1	-41.2	171.9	-84.8	-58	0	0	0	111.6	Y125 Y126 F127 V292 F319 L367 V368 R373 L374 V375	Y125-Y371 AromaticContact CD1-CD1 4Å; Y125-Y371 HydrophobicContact CD1-CD1 4Å; Y125-Y371 AromaticContact CD1-CD2 3.95Å; Y125-Y371 HydrophobicContact CD1-CD2 3.95Å; Y125-Y371 HydrophobicContact CD1-CE1 4.07Å; Y125-Y371 HydrophobicContact CD1-CE2 4.04Å; Y125-Y371 AromaticContact CD1-CG 3.91Å; Y125-Y371 HydrophobicContact CD1-CG 3.91Å; Y125-Y371 HydrophobicContact CE1-CD2 4.39Å; Y126-Y371 PolarHBondContact N-OH 2.85Å; Y126-Y371 PolarHBondContact O-OH 3.34Å; F127-Y371 HydrophobicContact CE1-CD1 4.26Å; F127-Y371 HydrophobicContact CE1-CE1 4.38Å; F127-Y371 AromaticContact CZ-CD1 3.92Å; F127-Y371 HydrophobicContact CZ-CD1 3.92Å; F127-Y371 HydrophobicContact CZ-CE1 4.13Å; V292-Y371 HydrophobicContact CG1-CD2 3.95Å; V292-Y371 HydrophobicContact CG1-CE2 4.09Å; F319-Y371 AromaticContact CE1-CD2 3.9Å; F319-Y371 HydrophobicContact CE1-CD2 3.9Å; F319-Y371 AromaticContact CE1-CG 3.95Å; F319-Y371 HydrophobicContact CE1-CG 3.95Å; F319-Y371 HydrophobicContact CE2-CD1 4.26Å; F319-Y371 HydrophobicContact CE2-CD2 4.37Å; F319-Y371 AromaticContact CE2-CG 3.89Å; F319-Y371 HydrophobicContact CE2-CG 3.89Å; F319-Y371 HydrophobicContact CZ-CD1 4.29Å; F319-Y371 AromaticContact CZ-CD2 3.61Å; F319-Y371 HydrophobicContact CZ-CD2 3.61Å; F319-Y371 HydrophobicContact CZ-CE2 4.39Å; F319-Y371 AromaticContact CZ-CG 3.57Å; F319-Y371 HydrophobicContact CZ-CG 3.57Å; L367-Y371 HydrophobicContact CD1-CD2 3.84Å; L367-Y371 HydrophobicContact CD1-CE2 3.48Å; L367-Y371 VanDerWaalsContact CD1-CE2 3.48Å; L367-Y371 HydrophobicContact CG-CD2 4.06Å; L367-Y371 HydrophobicContact CG-CE2 4.02Å; L367-Y371 WeakPolarHBondContact O-CD2 3.42Å; L367-Y371 PolarHBondContact O-N 2.5Å; L367-Y371 VanDerWaalsContact O-N 3.07Å; V368-Y371 PolarHBondContact O-N 2.96Å; Y371-R373 VanDerWaalsContact C-N 3.3Å; Y371-R373 PolarHBondContact O-N 3.08Å; Y371-L374 PolarHBondContact O-N 2.86Å; Y371-V375 WeakPolarHBondContact O-CG2 3.45Å; Y371-V375 PolarHBondContact O-N 3.27Å
372	Y	96.8	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-54.1	-46.7	174.1	176.2	-86.7	0	0	0	111.6	F319 V368 G370 L374 V375 A376 D377 H380 L382 R796	F319-Y372 VanDerWaalsContact O-CD2 3.31Å; F319-Y372 WeakPolarHBondContact O-CD2 3.49Å; V368-Y372 VanDerWaalsContact O-CB 3.31Å; V368-Y372 WeakPolarHBondContact O-CB 3.45Å; V368-Y372 PolarHBondContact O-N 3.23Å; G370-Y372 VanDerWaalsContact C-N 3.34Å; Y372-L374 VanDerWaalsContact C-N 3.26Å; Y372-L374 PolarHBondContact O-N 2.52Å; Y372-V375 PolarHBondContact O-N 2.67Å; Y372-A376 HydrophobicContact CD1-CB 4.45Å; Y372-A376 HydrophobicContact CD2-CB 3.7Å; Y372-A376 HydrophobicContact CE1-CB 4.27Å; Y372-A376 HydrophobicContact CE2-CB 3.5Å; Y372-A376 VanDerWaalsContact CE2-CB 3.5Å; Y372-A376 HydrophobicContact CG-CB 4.17Å; Y372-A376 WeakPolarHBondContact O-CA 3.34Å; Y372-A376 VanDerWaalsContact O-CB 3.29Å; Y372-A376 WeakPolarHBondContact O-CB 3.22Å; Y372-A376 PolarHBondContact O-N 3.38Å; Y372-D377 HydrophobicContact CE1-CB 3.93Å; Y372-D377 PolarHBondContact O-N 3.24Å; Y372-H380 HydrophobicContact CE1-CB 4.11Å; Y372-H380 AromaticContact CE1-CD2 3.7Å; Y372-L382 HydrophobicContact CD1-CD1 4.43Å; Y372-L382 HydrophobicContact CD1-CD2 4.08Å; Y372-L382 HydrophobicContact CD1-CG 4Å; Y372-L382 HydrophobicContact CD2-CD1 3.96Å; Y372-L382 HydrophobicContact CD2-CD2 3.82Å; Y372-L382 HydrophobicContact CD2-CG 4.14Å; Y372-L382 HydrophobicContact CE1-CD2 4.13Å; Y372-L382 HydrophobicContact CE1-CG 4.5Å; Y372-L382 HydrophobicContact CE2-CD2 3.86Å; Y372-L382 HydrophobicContact CG-CD1 3.77Å; Y372-L382 HydrophobicContact CG-CD2 3.95Å; Y372-L382 HydrophobicContact CG-CG 3.83Å; Y372-R796 PolarHBondContact OH-NE 2.97Å; Y372-R796 VanDerWaalsContact OH-NE 3.12Å; Y372-R796 PolarHBondContact OH-NH1 3.11Å
373	R	96.6	Very high	96.4	Very high	28 Å²	28	7.2 Å²	7.2	11%	0.106	4%	0.04	C	C	.	.	H	α-helix	trans	-61.1	-34	175.1	-83.7	-168.3	-69.3	-78.1	-5.5	114.3	D369 G370 Y371 D377 A378 H380 P388 L509	D369-R373 PolarHBondContact O-N 3.42Å; D369-R373 VanDerWaalsContact O-N 3.08Å; D369-R373 IonicContact OD1-NH1 2.86Å; D369-R373 PolarHBondContact OD1-NH1 2.88Å; D369-R373 IonicContact OD2-CZ 2.68Å; D369-R373 IonicContact OD2-NH1 3.06Å; D369-R373 PolarHBondContact OD2-NH1 3.07Å; D369-R373 IonicContact OD2-NH2 3.52Å; D369-R373 PolarHBondContact OD2-NH2 3.39Å; G370-R373 PolarHBondContact O-N 3.41Å; Y371-R373 VanDerWaalsContact C-N 3.3Å; Y371-R373 PolarHBondContact O-N 3.08Å; R373-D377 WeakPolarHBondContact CA-O 3.19Å; R373-A378 VanDerWaalsContact O-CA 3.31Å; R373-A378 WeakPolarHBondContact O-CA 3.21Å; R373-A378 PolarHBondContact O-N 3.14Å; R373-H380 WeakPolarHBondContact CG-O 3.38Å; R373-P388 VanDerWaalsContact CZ-CG 3.46Å; R373-L509 VanDerWaalsContact O-CD2 3.25Å; R373-L509 WeakPolarHBondContact O-CD2 3.35Å
374	L	96.9	Very high	96.1	Very high	2 Å²	2	14 Å²	14	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-79.9	-21.8	-178.4	-72.6	165.2	0	0	0	113	L91 Y125 F127 G370 Y371 Y372 L509 V510	L91-L374 HydrophobicContact CD2-CD1 3.86Å; L91-L374 HydrophobicContact CD2-CD2 3.99Å; Y125-L374 VanDerWaalsContact CB-CD1 3.41Å; Y125-L374 HydrophobicContact CD1-CD1 4.17Å; Y125-L374 HydrophobicContact CD2-CD1 4.32Å; Y125-L374 HydrophobicContact CG-CD1 3.72Å; F127-L374 HydrophobicContact CE2-CB 4.19Å; F127-L374 HydrophobicContact CE2-CD1 4.13Å; F127-L374 HydrophobicContact CZ-CB 3.88Å; F127-L374 HydrophobicContact CZ-CD1 4.39Å; G370-L374 WeakPolarHBondContact O-CG 3.4Å; G370-L374 PolarHBondContact O-N 3.35Å; G370-L374 VanDerWaalsContact O-N 3.17Å; Y371-L374 PolarHBondContact O-N 2.86Å; Y372-L374 VanDerWaalsContact C-N 3.26Å; Y372-L374 PolarHBondContact O-N 2.52Å; L374-L509 CarbonylContact O-C 3.6Å; L374-L509 WeakPolarHBondContact O-CA 3.34Å; L374-V510 PolarHBondContact O-N 3.42Å
375	V	94.8	Very high	95.8	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-121.6	-24	-175.3	-52.3	0	0	0	0	115	F127 F319 P320 Y371 Y372	F127-V375 HydrophobicContact CE1-CG1 3.52Å; F127-V375 HydrophobicContact CZ-CG1 3.67Å; F319-V375 HydrophobicContact CB-CG2 3.76Å; F319-V375 HydrophobicContact CD2-CG2 3.94Å; F319-V375 HydrophobicContact CG-CG2 4.27Å; P320-V375 HydrophobicContact CG-CG2 4.05Å; Y371-V375 WeakPolarHBondContact O-CG2 3.45Å; Y371-V375 PolarHBondContact O-N 3.27Å; Y372-V375 PolarHBondContact O-N 2.67Å
376	A	91.8	Very high	95.7	Very high	15 Å²	15	18.4 Å²	18.4	12%	0.124	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-63.4	-173.6	0	0	0	0	0	112	P320 Y372	P320-A376 HydrophobicContact CB-CB 4Å; P320-A376 HydrophobicContact CG-CB 4.04Å; Y372-A376 HydrophobicContact CD1-CB 4.45Å; Y372-A376 HydrophobicContact CD2-CB 3.7Å; Y372-A376 HydrophobicContact CE1-CB 4.27Å; Y372-A376 HydrophobicContact CE2-CB 3.5Å; Y372-A376 VanDerWaalsContact CE2-CB 3.5Å; Y372-A376 HydrophobicContact CG-CB 4.17Å; Y372-A376 WeakPolarHBondContact O-CA 3.34Å; Y372-A376 VanDerWaalsContact O-CB 3.29Å; Y372-A376 WeakPolarHBondContact O-CB 3.22Å; Y372-A376 PolarHBondContact O-N 3.38Å
377	D	93.5	Very high	95.6	Very high	14 Å²	14	18.5 Å²	18.5	8%	0.075	9%	0.09	C	C	.	.			trans	-150.5	108.8	-174.4	-174.4	-19.2	0	0	0	111.2	Y372 R373 H379 H380 Q502	Y372-D377 HydrophobicContact CE1-CB 3.93Å; Y372-D377 PolarHBondContact O-N 3.24Å; R373-D377 WeakPolarHBondContact CA-O 3.19Å; D377-H379 PolarHBondContact O-N 2.88Å; D377-H379 PolarHBondContact OD1-N 3.45Å; D377-H380 HydrophobicContact CB-CB 3.9Å; D377-H380 VanDerWaalsContact CG-CB 3.45Å; D377-H380 PolarHBondContact O-N 3.45Å; D377-H380 PolarHBondContact OD1-N 3.43Å; D377-H380 WeakPolarHBondContact OD2-CB 3.23Å; D377-Q502 WeakPolarHBondContact OD2-CA 3.25Å
378	A	95	Very high	95.5	Very high	17 Å²	17	18.9 Å²	18.9	14%	0.14	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15	-175.3	0	0	0	0	0	113.8	R373 L508 L509	R373-A378 VanDerWaalsContact O-CA 3.31Å; R373-A378 WeakPolarHBondContact O-CA 3.21Å; R373-A378 PolarHBondContact O-N 3.14Å; A378-L508 HydrophobicContact CB-CB 3.74Å; A378-L508 HydrophobicContact CB-CD1 4Å; A378-L509 HydrophobicContact CB-CD2 4.02Å
379	H	94.8	Very high	95.4	Very high	23 Å²	23	21.2 Å²	21.2	11%	0.106	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	17.5	-175.1	-50.4	96.2	0	0	0	112.1	D377 I395 G401 P500	D377-H379 PolarHBondContact O-N 2.88Å; D377-H379 PolarHBondContact OD1-N 3.45Å; H379-I395 WeakPolarHBondContact O-CD1 3.42Å; H379-I395 WeakPolarHBondContact O-CG1 3.18Å; H379-G401 PolarHBondContact CD2-N 3.09Å; H379-G401 VanDerWaalsContact CD2-N 3.31Å; H379-G401 PolarHBondContact NE2-N 2.87Å; H379-P500 HydrophobicContact CB-CB 3.73Å; H379-P500 HydrophobicContact CB-CG 4.24Å
380	H	94.8	Very high	95.2	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.037	12%	0.119	C	C	.	.			trans	-126.3	163.8	179.7	-168.3	79.8	0	0	0	112.3	Y372 R373 D377 T797 R800	Y372-H380 HydrophobicContact CE1-CB 4.11Å; Y372-H380 AromaticContact CE1-CD2 3.7Å; R373-H380 WeakPolarHBondContact CG-O 3.38Å; D377-H380 HydrophobicContact CB-CB 3.9Å; D377-H380 VanDerWaalsContact CG-CB 3.45Å; D377-H380 PolarHBondContact O-N 3.45Å; D377-H380 PolarHBondContact OD1-N 3.43Å; D377-H380 WeakPolarHBondContact OD2-CB 3.23Å; H380-T797 PolarHBondContact CE1-OG1 3.44Å; H380-R800 PolarHBondContact CE1-NH1 3.46Å; H380-R800 VanDerWaalsContact CE1-NH1 3.3Å
381	Y	95.4	Very high	95.1	Very high	21 Å²	21	25 Å²	25	8%	0.082	12%	0.122	C	C	.	.			trans	-139.6	146.5	175.9	67.3	-93	0	0	0	110.2	D369 K384 A387 L392 I395 R800	D369-Y381 WeakPolarHBondContact OD1-CA 3.15Å; Y381-K384 HydrophobicContact CE2-CB 3.92Å; Y381-K384 HydrophobicContact CE2-CG 4.43Å; Y381-A387 HydrophobicContact CD1-CB 4.21Å; Y381-A387 HydrophobicContact CD2-CB 3.77Å; Y381-A387 HydrophobicContact CE2-CB 4.3Å; Y381-A387 HydrophobicContact CG-CB 3.72Å; Y381-L392 HydrophobicContact CD1-CD2 3.73Å; Y381-L392 HydrophobicContact CE1-CD2 3.3Å; Y381-I395 HydrophobicContact CD1-CD1 3.87Å; Y381-I395 HydrophobicContact CE1-CD1 4.01Å; Y381-R800 VanDerWaalsContact CD1-NH1 3.29Å; Y381-R800 VanDerWaalsContact CE2-NH1 3.34Å; Y381-R800 WeakPolarHBondContact O-CD 3.24Å; Y381-R800 PolarHBondContact O-NH1 2.75Å; Y381-R800 PolarHBondContact OH-NH2 3.3Å; Y381-R800 VanDerWaalsContact OH-NH2 3.15Å
382	L	95.2	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-88.6	-31.5	-177.2	-63.4	178.7	0	0	0	113	V322 I323 I325 V368 D369 Y372	V322-L382 HydrophobicContact CB-CD1 4.05Å; V322-L382 HydrophobicContact CB-CD2 4.5Å; V322-L382 HydrophobicContact CG1-CD1 3.76Å; V322-L382 HydrophobicContact CG1-CD2 4.28Å; V322-L382 VanDerWaalsContact O-CD2 3.32Å; V322-L382 WeakPolarHBondContact O-CD2 3.25Å; I323-L382 WeakPolarHBondContact O-CD2 3.39Å; I325-L382 HydrophobicContact CD1-CB 4.26Å; I325-L382 HydrophobicContact CD1-CD1 3.94Å; I325-L382 HydrophobicContact CG1-CB 4.24Å; I325-L382 HydrophobicContact CG1-CD1 4.43Å; I325-L382 PolarHBondContact N-O 3.43Å; I325-L382 VanDerWaalsContact N-O 3.12Å; V368-L382 HydrophobicContact CG1-CD1 4.09Å; D369-L382 PolarHBondContact OD1-N 3.21Å; Y372-L382 HydrophobicContact CD1-CD1 4.43Å; Y372-L382 HydrophobicContact CD1-CD2 4.08Å; Y372-L382 HydrophobicContact CD1-CG 4Å; Y372-L382 HydrophobicContact CD2-CD1 3.96Å; Y372-L382 HydrophobicContact CD2-CD2 3.82Å; Y372-L382 HydrophobicContact CD2-CG 4.14Å; Y372-L382 HydrophobicContact CE1-CD2 4.13Å; Y372-L382 HydrophobicContact CE1-CG 4.5Å; Y372-L382 HydrophobicContact CE2-CD2 3.86Å; Y372-L382 HydrophobicContact CG-CD1 3.77Å; Y372-L382 HydrophobicContact CG-CD2 3.95Å; Y372-L382 HydrophobicContact CG-CG 3.83Å
383	C	94.3	Very high	94.7	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.041	14%	0.144	C	C	.	.			trans	-139.4	125.9	-176.7	-176.4	0	0	0	0	110.9	I325 V365 E385 V386 A387	I325-C383 HydrophobicContact CB-CB 4.22Å; I325-C383 VanDerWaalsContact O-CB 3.24Å; I325-C383 WeakPolarHBondContact O-CB 3.49Å; I325-C383 PolarHBondContact O-SG 3.45Å; V365-C383 HydrophobicContact CG1-CB 3.59Å; C383-E385 VanDerWaalsContact C-N 3.28Å; C383-E385 PolarHBondContact O-N 3.42Å; C383-V386 HydrophobicContact CB-CG2 4.03Å; C383-V386 PolarHBondContact O-N 3.17Å; C383-A387 PolarHBondContact O-N 3.43Å
384	K	91.5	Very high	94.6	Very high	146 Å²	146	28.6 Å²	28.6	64%	0.635	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-65.1	-31.9	-177.7	-169.7	179.4	177.8	-174.9	0	112.3	Y381 V386 A387	Y381-K384 HydrophobicContact CE2-CB 3.92Å; Y381-K384 HydrophobicContact CE2-CG 4.43Å; K384-V386 PolarHBondContact O-N 3.43Å; K384-A387 PolarHBondContact O-N 2.9Å
385	E	91.9	Very high	94.3	Very high	95 Å²	95	31.7 Å²	31.7	44%	0.444	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-66.6	-16	-178.5	-68.9	-179.3	-132.3	0	0	114.2	N106 C383	N106-E385 VanDerWaalsContact ND2-C 3.32Å; N106-E385 PolarHBondContact ND2-O 2.57Å; N106-E385 PolarHBondContact OD1-O 3.3Å; C383-E385 VanDerWaalsContact C-N 3.28Å; C383-E385 PolarHBondContact O-N 3.42Å
386	V	96.4	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-124.8	7.1	176.6	-57.3	0	0	0	0	113.1	P104 P105 N106 L362 V365 D369 C383 K384	P104-V386 HydrophobicContact CB-CB 3.82Å; P104-V386 HydrophobicContact CB-CG1 3.76Å; P104-V386 HydrophobicContact CG-CG1 4.45Å; P105-V386 WeakPolarHBondContact CD-O 3.43Å; P105-V386 VanDerWaalsContact CG-O 3.27Å; P105-V386 WeakPolarHBondContact CG-O 3.03Å; N106-V386 WeakPolarHBondContact OD1-CA 3.39Å; L362-V386 HydrophobicContact CB-CG1 4.46Å; L362-V386 HydrophobicContact CD2-CG1 3.74Å; V365-V386 HydrophobicContact CB-CG1 4.34Å; V365-V386 HydrophobicContact CB-CG2 4.42Å; V365-V386 HydrophobicContact CG1-CG1 4.33Å; V365-V386 HydrophobicContact CG1-CG2 3.72Å; D369-V386 HydrophobicContact CB-CG2 4.23Å; C383-V386 HydrophobicContact CB-CG2 4.03Å; C383-V386 PolarHBondContact O-N 3.17Å; K384-V386 PolarHBondContact O-N 3.43Å
387	A	96.4	Very high	94.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.185	C	C	.	.			trans	-67.5	131	-173.3	0	0	0	0	0	111.1	N106 Y381 C383 K384 L392	N106-A387 WeakPolarHBondContact CB-O 3.47Å; Y381-A387 HydrophobicContact CD1-CB 4.21Å; Y381-A387 HydrophobicContact CD2-CB 3.77Å; Y381-A387 HydrophobicContact CE2-CB 4.3Å; Y381-A387 HydrophobicContact CG-CB 3.72Å; C383-A387 PolarHBondContact O-N 3.43Å; K384-A387 PolarHBondContact O-N 2.9Å; A387-L392 HydrophobicContact CB-CD1 4.17Å; A387-L392 HydrophobicContact CB-CD2 3.95Å; A387-L392 HydrophobicContact CB-CG 4.16Å
388	P	97.8	Very high	94	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.058	19%	0.192	C	C	.	.			trans	-58.2	129.6	178.2	-16.8	22.7	0	0	0	112.2	E72 P105 R373 R390 L391 L392	E72-P388 VanDerWaalsContact OE1-CB 3.32Å; E72-P388 WeakPolarHBondContact OE1-CB 3.5Å; P105-P388 HydrophobicContact CB-CB 4.16Å; P105-P388 HydrophobicContact CB-CG 4.36Å; P105-P388 HydrophobicContact CG-CB 4.03Å; P105-P388 HydrophobicContact CG-CG 3.77Å; R373-P388 VanDerWaalsContact CZ-CG 3.46Å; P388-R390 PolarHBondContact O-N 2.94Å; P388-L391 HydrophobicContact CB-CB 3.93Å; P388-L391 HydrophobicContact CG-CB 4.22Å; P388-L391 HydrophobicContact CG-CD2 4.19Å; P388-L391 WeakPolarHBondContact O-CB 3.34Å; P388-L391 PolarHBondContact O-N 3.4Å; P388-L391 VanDerWaalsContact O-N 3.12Å; P388-L392 PolarHBondContact O-N 3.29Å; P388-L392 VanDerWaalsContact O-N 3.16Å
389	P	96	Very high	94	Very high	49 Å²	49	39 Å²	39	32%	0.318	19%	0.186	S	C	.	.	H	α-helix	trans	-57.2	-45	-178.5	-30.4	38.3	0	0	0	114.7	V70 E72 N106 L391 L392 E393	V70-P389 HydrophobicContact CG1-CG 4Å; E72-P389 VanDerWaalsContact OE2-CD 3.24Å; E72-P389 WeakPolarHBondContact OE2-CD 3.3Å; N106-P389 HydrophobicContact CB-CG 3.88Å; P389-L391 VanDerWaalsContact C-N 3.26Å; P389-L391 PolarHBondContact O-N 2.87Å; P389-L392 WeakPolarHBondContact O-CB 3.46Å; P389-L392 PolarHBondContact O-N 3.42Å; P389-L392 VanDerWaalsContact O-N 3.14Å; P389-E393 PolarHBondContact O-N 3.29Å
390	R	94	Very high	94.1	Very high	62 Å²	62	38.4 Å²	38.4	23%	0.234	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-32.3	176.6	-78.5	-168.4	169.4	-156.4	-6.2	112.6	E72 P388 E393 C394 Y431 D432	E72-R390 WeakPolarHBondContact OE2-CB 3.45Å; E72-R390 PolarHBondContact OE2-N 3.43Å; P388-R390 PolarHBondContact O-N 2.94Å; R390-E393 PolarHBondContact O-N 3.02Å; R390-C394 WeakPolarHBondContact O-CB 3.48Å; R390-C394 PolarHBondContact O-N 3.29Å; R390-C394 PolarHBondContact O-SG 3.06Å; R390-Y431 PolarHBondContact NH1-O 2.85Å; R390-D432 IonicContact NH2-OD1 3.5Å; R390-D432 PolarHBondContact NH2-OD1 3.4Å
391	L	95.6	Very high	94.1	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-44.1	174.2	174.2	67	0	0	0	110.9	P388 P389 E393 C394 I395	P388-L391 HydrophobicContact CB-CB 3.93Å; P388-L391 HydrophobicContact CG-CB 4.22Å; P388-L391 HydrophobicContact CG-CD2 4.19Å; P388-L391 WeakPolarHBondContact O-CB 3.34Å; P388-L391 PolarHBondContact O-N 3.4Å; P388-L391 VanDerWaalsContact O-N 3.12Å; P389-L391 VanDerWaalsContact C-N 3.26Å; P389-L391 PolarHBondContact O-N 2.87Å; L391-E393 PolarHBondContact O-N 3.25Å; L391-C394 WeakPolarHBondContact O-CB 3.21Å; L391-C394 PolarHBondContact O-N 3.37Å; L391-I395 HydrophobicContact CD1-CD1 4.21Å; L391-I395 HydrophobicContact CD1-CG1 4.36Å; L391-I395 HydrophobicContact CG-CD1 4.01Å; L391-I395 WeakPolarHBondContact O-CG1 3.26Å; L391-I395 PolarHBondContact O-N 2.91Å
392	L	94.3	Very high	94.1	Very high	46 Å²	46	38.6 Å²	38.6	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-43	177.1	-62.6	178.1	0	0	0	111.6	Y381 A387 P388 P389 C394 I395 Q396	Y381-L392 HydrophobicContact CD1-CD2 3.73Å; Y381-L392 HydrophobicContact CE1-CD2 3.3Å; A387-L392 HydrophobicContact CB-CD1 4.17Å; A387-L392 HydrophobicContact CB-CD2 3.95Å; A387-L392 HydrophobicContact CB-CG 4.16Å; P388-L392 PolarHBondContact O-N 3.29Å; P388-L392 VanDerWaalsContact O-N 3.16Å; P389-L392 WeakPolarHBondContact O-CB 3.46Å; P389-L392 PolarHBondContact O-N 3.42Å; P389-L392 VanDerWaalsContact O-N 3.14Å; L392-C394 VanDerWaalsContact C-N 3.33Å; L392-C394 PolarHBondContact O-N 3.42Å; L392-I395 PolarHBondContact O-N 3.45Å; L392-Q396 WeakPolarHBondContact O-CG 3.43Å; L392-Q396 PolarHBondContact O-N 3.25Å
393	E	92.6	Very high	94.1	Very high	49 Å²	49	39 Å²	39	23%	0.229	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-42.4	174.4	-173.9	-178.1	-173.6	0	0	111.7	P389 R390 L391 Q396 S397 K455 F461	P389-E393 PolarHBondContact O-N 3.29Å; R390-E393 PolarHBondContact O-N 3.02Å; L391-E393 PolarHBondContact O-N 3.25Å; E393-Q396 PolarHBondContact O-N 2.93Å; E393-S397 PolarHBondContact O-N 3.29Å; E393-S397 VanDerWaalsContact O-N 3.16Å; E393-S397 PolarHBondContact O-OG 2.97Å; E393-S397 VanDerWaalsContact O-OG 3.13Å; E393-K455 IonicContact OE2-NZ 2.83Å; E393-F461 VanDerWaalsContact OE1-CZ 3.23Å; E393-F461 WeakPolarHBondContact OE1-CZ 3.49Å
394	C	93.7	Very high	94.1	Very high	14 Å²	14	39.7 Å²	39.7	10%	0.095	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-44.9	176.8	-72.6	0	0	0	0	112.1	R390 L391 L392 Q396 S397 Y398 C399	R390-C394 WeakPolarHBondContact O-CB 3.48Å; R390-C394 PolarHBondContact O-N 3.29Å; R390-C394 PolarHBondContact O-SG 3.06Å; L391-C394 WeakPolarHBondContact O-CB 3.21Å; L391-C394 PolarHBondContact O-N 3.37Å; L392-C394 VanDerWaalsContact C-N 3.33Å; L392-C394 PolarHBondContact O-N 3.42Å; C394-Q396 VanDerWaalsContact C-N 3.33Å; C394-Q396 PolarHBondContact O-N 3.04Å; C394-S397 CarbonylContact O-C 3.6Å; C394-S397 PolarHBondContact O-N 3.04Å; C394-Y398 PolarHBondContact O-N 3.46Å; C394-C399 HydrophobicContact CB-CB 4.11Å; C394-C399 WeakPolarHBondContact CB-O 3.49Å; C394-C399 PolarHBondContact O-N 2.86Å
395	I	91.6	Very high	94.2	Very high	66 Å²	66	36.7 Å²	36.7	34%	0.338	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-45.7	176.8	-69.6	167	0	0	0	110.4	H379 Y381 L391 L392 S397 Y398	H379-I395 WeakPolarHBondContact O-CD1 3.42Å; H379-I395 WeakPolarHBondContact O-CG1 3.18Å; Y381-I395 HydrophobicContact CD1-CD1 3.87Å; Y381-I395 HydrophobicContact CE1-CD1 4.01Å; L391-I395 HydrophobicContact CD1-CD1 4.21Å; L391-I395 HydrophobicContact CD1-CG1 4.36Å; L391-I395 HydrophobicContact CG-CD1 4.01Å; L391-I395 WeakPolarHBondContact O-CG1 3.26Å; L391-I395 PolarHBondContact O-N 2.91Å; L392-I395 PolarHBondContact O-N 3.45Å; I395-S397 PolarHBondContact O-N 3.33Å; I395-Y398 PolarHBondContact O-N 3.48Å
396	Q	89.5	Confident	94.2	Very high	134 Å²	134	36.5 Å²	36.5	63%	0.626	19%	0.185	S	C	*	.	H	α-helix	trans	-63.8	-26.9	179.7	-72.6	178.5	0.9	0	0	113.9	L392 E393 C394	L392-Q396 WeakPolarHBondContact O-CG 3.43Å; L392-Q396 PolarHBondContact O-N 3.25Å; E393-Q396 PolarHBondContact O-N 2.93Å; C394-Q396 VanDerWaalsContact C-N 3.33Å; C394-Q396 PolarHBondContact O-N 3.04Å
397	S	91	Very high	94	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.063	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.4	-179.1	-53.8	0	0	0	0	113.3	E393 C394 I395 C399	E393-S397 PolarHBondContact O-N 3.29Å; E393-S397 VanDerWaalsContact O-N 3.16Å; E393-S397 PolarHBondContact O-OG 2.97Å; E393-S397 VanDerWaalsContact O-OG 3.13Å; C394-S397 CarbonylContact O-C 3.6Å; C394-S397 PolarHBondContact O-N 3.04Å; I395-S397 PolarHBondContact O-N 3.33Å; S397-C399 PolarHBondContact O-N 3.21Å; S397-C399 VanDerWaalsContact O-N 3.15Å
398	Y	92.5	Very high	93.9	Very high	61 Å²	61	37.9 Å²	37.9	24%	0.239	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	29.3	-172	-51.2	-76.4	0	0	0	113.4	C394 I395 P499 P500 H791	C394-Y398 PolarHBondContact O-N 3.46Å; I395-Y398 PolarHBondContact O-N 3.48Å; Y398-P499 HydrophobicContact CD1-CB 3.78Å; Y398-P499 HydrophobicContact CG-CB 4.22Å; Y398-P500 WeakPolarHBondContact O-CD 3.37Å; Y398-H791 HydrophobicContact CE1-CB 3.82Å; Y398-H791 AromaticContact CE1-CD2 3.82Å; Y398-H791 AromaticContact CE1-CG 3.73Å; Y398-H791 AromaticContact CE2-CE1 3.84Å; Y398-H791 AromaticContact CE2-ND1 3.81Å; Y398-H791 AromaticContact CZ-CD2 3.91Å; Y398-H791 AromaticContact CZ-CG 3.53Å; Y398-H791 AromaticContact CZ-ND1 3.67Å
399	C	95.1	Very high	93.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.195	C	C	.	.			trans	-84.3	132.4	-179.2	-173.3	0	0	0	0	110.1	C394 S397 L424	C394-C399 HydrophobicContact CB-CB 4.11Å; C394-C399 WeakPolarHBondContact CB-O 3.49Å; C394-C399 PolarHBondContact O-N 2.86Å; S397-C399 PolarHBondContact O-N 3.21Å; S397-C399 VanDerWaalsContact O-N 3.15Å; C399-L424 HydrophobicContact CB-CD2 3.9Å; C399-L424 HydrophobicContact CB-CG 4.01Å
400	H	96.2	Very high	93.3	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-73.1	150.8	168.1	-64	61.6	0	0	0	109.5	V403 K411 L424 R425 C426 C498 P499 P500	H400-V403 HydrophobicContact CB-CG2 4Å; H400-K411 PolarHBondContact NE2-NZ 3.12Å; H400-L424 PolarHBondContact N-O 3.04Å; H400-L424 PolarHBondContact ND1-O 3.24Å; H400-R425 HydrophobicContact CB-CB 3.86Å; H400-R425 CarbonylContact O-C 3.39Å; H400-R425 WeakPolarHBondContact O-CA 3.47Å; H400-C426 PolarHBondContact O-N 3.32Å; H400-C426 PolarHBondContact O-SG 3.39Å; H400-C426 VanDerWaalsContact O-SG 3.33Å; H400-C498 PolarHBondContact CE1-O 3.05Å; H400-P499 VanDerWaalsContact CE1-C 3.47Å; H400-P500 HydrophobicContact CB-CG 4.47Å; H400-P500 VanDerWaalsContact CE1-N 3.29Å; H400-P500 WeakPolarHBondContact NE2-CA 3.45Å
401	G	95.4	Very high	93.1	Very high	11 Å²	11	35.4 Å²	35.4	11%	0.113	18%	0.181	C	C	.	.			trans	-59	-165.4	161.9	0	0	0	0	0	113.4	H379 V403 C426	H379-G401 PolarHBondContact CD2-N 3.09Å; H379-G401 VanDerWaalsContact CD2-N 3.31Å; H379-G401 PolarHBondContact NE2-N 2.87Å; G401-V403 PolarHBondContact O-N 3.11Å; G401-C426 PolarHBondContact O-N 3Å
402	P	95.9	Very high	92.9	Very high	23 Å²	23	34.5 Å²	34.5	15%	0.149	18%	0.176	C	C	.	.	S	Bend	trans	-73.4	55.3	-175.8	26.6	-29.4	0	0	0	113.5	P86 V87 C426 P428 N507 L508	P86-P402 HydrophobicContact CB-CB 4.02Å; P86-P402 HydrophobicContact CB-CG 4.19Å; V87-P402 HydrophobicContact CG2-CB 4.08Å; V87-P402 HydrophobicContact CG2-CG 4.47Å; P402-C426 HydrophobicContact CB-CB 4.48Å; P402-P428 HydrophobicContact CB-CB 4.37Å; P402-N507 PolarHBondContact O-ND2 3.3Å; P402-L508 HydrophobicContact CB-CD2 4.45Å; P402-L508 HydrophobicContact CG-CD2 3.76Å
403	V	95	Very high	92.6	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.042	19%	0.191	C	C	.	.			trans	-71.8	140.7	179.1	-179	0	0	0	0	109.5	H400 G401 F407 N507 L508	H400-V403 HydrophobicContact CB-CG2 4Å; G401-V403 PolarHBondContact O-N 3.11Å; V403-F407 HydrophobicContact CG1-CB 3.43Å; V403-F407 VanDerWaalsContact CG1-CB 3.43Å; V403-F407 HydrophobicContact CG1-CG 4.29Å; V403-N507 WeakPolarHBondContact CA-OD1 3.48Å; V403-L508 HydrophobicContact CG2-CD1 3.67Å; V403-L508 HydrophobicContact CG2-CG 4.17Å
404	S	93.5	Very high	92.2	Very high	21 Å²	21	44.2 Å²	44.2	15%	0.147	21%	0.207	C	C	.	.			trans	-65.2	161.5	180	91	0	0	0	0	112.4	E406 F407 T408 N507	S404-E406 VanDerWaalsContact C-N 3.27Å; S404-E406 WeakPolarHBondContact CB-OE2 3.29Å; S404-E406 PolarHBondContact O-N 3.24Å; S404-E406 PolarHBondContact OG-N 3.46Å; S404-E406 PolarHBondContact OG-OE2 3.4Å; S404-F407 WeakPolarHBondContact OG-CD2 3.4Å; S404-F407 PolarHBondContact OG-N 3.49Å; S404-T408 PolarHBondContact O-N 2.93Å; S404-T408 PolarHBondContact O-OG1 3.21Å; S404-N507 PolarHBondContact N-OD1 3.49Å
405	M	93.6	Very high	91.7	Very high	83 Å²	83	46.6 Å²	46.6	41%	0.409	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-36.3	179.1	178.3	168.1	159.6	0	0	111.2	T408 I409 H450	M405-T408 WeakPolarHBondContact O-CB 3.48Å; M405-T408 PolarHBondContact O-N 3.29Å; M405-I409 HydrophobicContact CE-CD1 3.77Å; M405-I409 HydrophobicContact CG-CD1 3.8Å; M405-I409 HydrophobicContact CG-CG1 4.43Å; M405-I409 WeakPolarHBondContact O-CG1 3.32Å; M405-I409 PolarHBondContact O-N 3.14Å; M405-H450 WeakPolarHBondContact CE-NE2 3.1Å
406	E	91.8	Very high	91.3	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-47.3	-178.8	-55.5	76.2	-163.5	0	0	111.4	L144 M148 S404 T408 I409 S410	L144-E406 HydrophobicContact CD1-CB 3.67Å; L144-E406 HydrophobicContact CG-CB 4.45Å; M148-E406 HydrophobicContact CE-CG 4.16Å; S404-E406 VanDerWaalsContact C-N 3.27Å; S404-E406 WeakPolarHBondContact CB-OE2 3.29Å; S404-E406 PolarHBondContact O-N 3.24Å; S404-E406 PolarHBondContact OG-N 3.46Å; S404-E406 PolarHBondContact OG-OE2 3.4Å; E406-T408 VanDerWaalsContact C-N 3.29Å; E406-T408 PolarHBondContact O-N 2.99Å; E406-I409 PolarHBondContact O-N 3.45Å; E406-S410 WeakPolarHBondContact O-CB 3.4Å; E406-S410 PolarHBondContact O-N 3.45Å
407	F	92.9	Very high	91.1	Very high	26 Å²	26	41 Å²	41	11%	0.114	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-37.6	175.2	-82.3	-73	0	0	0	112.3	Y142 L144 V403 S404 S410 K411 K505 N507	Y142-F407 WeakPolarHBondContact O-CE2 3.47Å; Y142-F407 VanDerWaalsContact O-CZ 3.29Å; Y142-F407 WeakPolarHBondContact O-CZ 3.41Å; L144-F407 HydrophobicContact CD2-CD1 3.64Å; L144-F407 HydrophobicContact CD2-CE1 3.68Å; L144-F407 HydrophobicContact CD2-CG 4.27Å; L144-F407 HydrophobicContact CD2-CZ 4.33Å; L144-F407 HydrophobicContact CG-CD1 4.4Å; L144-F407 HydrophobicContact CG-CE1 4.29Å; L144-F407 HydrophobicContact CG-CZ 4.48Å; V403-F407 HydrophobicContact CG1-CB 3.43Å; V403-F407 VanDerWaalsContact CG1-CB 3.43Å; V403-F407 HydrophobicContact CG1-CG 4.29Å; S404-F407 WeakPolarHBondContact OG-CD2 3.4Å; S404-F407 PolarHBondContact OG-N 3.49Å; F407-S410 PolarHBondContact O-N 3.27Å; F407-K411 WeakPolarHBondContact O-CB 3.48Å; F407-K411 PolarHBondContact O-N 3.21Å; F407-K505 WeakPolarHBondContact CD1-O 3.3Å; F407-K505 WeakPolarHBondContact CE1-O 3.25Å; F407-N507 HydrophobicContact CD2-CB 4.33Å; F407-N507 HydrophobicContact CE2-CB 4.05Å
408	T	93.1	Very high	90.8	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-49	177.1	-55.9	0	0	0	0	111.2	S404 M405 E406 K411 L412 I423 R425	S404-T408 PolarHBondContact O-N 2.93Å; S404-T408 PolarHBondContact O-OG1 3.21Å; M405-T408 WeakPolarHBondContact O-CB 3.48Å; M405-T408 PolarHBondContact O-N 3.29Å; E406-T408 VanDerWaalsContact C-N 3.29Å; E406-T408 PolarHBondContact O-N 2.99Å; T408-K411 PolarHBondContact O-N 3.41Å; T408-L412 PolarHBondContact O-N 3.34Å; T408-L412 VanDerWaalsContact O-N 3.16Å; T408-I423 HydrophobicContact CG2-CB 3.96Å; T408-I423 HydrophobicContact CG2-CD1 3.84Å; T408-I423 HydrophobicContact CG2-CG1 4.49Å; T408-I423 HydrophobicContact CG2-CG2 3.95Å; T408-I423 WeakPolarHBondContact O-CD1 3.43Å; T408-R425 WeakPolarHBondContact OG1-CD 3.35Å; T408-R425 PolarHBondContact OG1-NE 3.14Å
409	I	92.3	Very high	90.5	Very high	26 Å²	26	51.4 Å²	51.4	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-44.2	178.2	-69.5	169.4	0	0	0	110.9	M405 E406 K411 L412 R413 Y448	M405-I409 HydrophobicContact CE-CD1 3.77Å; M405-I409 HydrophobicContact CG-CD1 3.8Å; M405-I409 HydrophobicContact CG-CG1 4.43Å; M405-I409 WeakPolarHBondContact O-CG1 3.32Å; M405-I409 PolarHBondContact O-N 3.14Å; E406-I409 PolarHBondContact O-N 3.45Å; I409-K411 VanDerWaalsContact C-N 3.27Å; I409-K411 PolarHBondContact O-N 3.14Å; I409-L412 PolarHBondContact O-N 3.38Å; I409-R413 WeakPolarHBondContact O-CB 3.32Å; I409-R413 PolarHBondContact O-N 3.14Å; I409-Y448 HydrophobicContact CD1-CD2 4.35Å; I409-Y448 HydrophobicContact CD1-CG 4.33Å; I409-Y448 HydrophobicContact CG1-CD1 4.18Å; I409-Y448 HydrophobicContact CG1-CD2 4.26Å; I409-Y448 HydrophobicContact CG1-CG 3.94Å; I409-Y448 HydrophobicContact CG2-CD1 4.26Å; I409-Y448 HydrophobicContact CG2-CD2 3.89Å; I409-Y448 HydrophobicContact CG2-CE1 4Å; I409-Y448 HydrophobicContact CG2-CE2 3.6Å; I409-Y448 HydrophobicContact CG2-CG 4.21Å
410	S	90.5	Very high	90.1	Very high	24 Å²	24	51.8 Å²	51.8	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-42.8	177.1	-178.5	0	0	0	0	111.5	E406 F407 R413 R414	E406-S410 WeakPolarHBondContact O-CB 3.4Å; E406-S410 PolarHBondContact O-N 3.45Å; F407-S410 PolarHBondContact O-N 3.27Å; S410-R413 WeakPolarHBondContact O-CB 3.33Å; S410-R413 PolarHBondContact O-N 3.33Å; S410-R414 WeakPolarHBondContact O-CG 3.4Å; S410-R414 PolarHBondContact O-N 3.49Å
411	K	90.2	Very high	89.8	Confident	18 Å²	18	52 Å²	52	8%	0.078	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-44.7	177	-174.3	165.8	178.8	170.7	0	112.8	H400 F407 T408 I409 R413 R414 L415 I423 P499 D504	H400-K411 PolarHBondContact NE2-NZ 3.12Å; F407-K411 WeakPolarHBondContact O-CB 3.48Å; F407-K411 PolarHBondContact O-N 3.21Å; T408-K411 PolarHBondContact O-N 3.41Å; I409-K411 VanDerWaalsContact C-N 3.27Å; I409-K411 PolarHBondContact O-N 3.14Å; K411-R413 VanDerWaalsContact C-N 3.28Å; K411-R413 PolarHBondContact O-N 2.9Å; K411-R414 PolarHBondContact O-N 3.36Å; K411-L415 HydrophobicContact CG-CD1 4.35Å; K411-L415 WeakPolarHBondContact O-CG 3.36Å; K411-L415 PolarHBondContact O-N 3.42Å; K411-L415 VanDerWaalsContact O-N 3.16Å; K411-I423 HydrophobicContact CB-CD1 3.89Å; K411-I423 HydrophobicContact CD-CD1 4.04Å; K411-I423 HydrophobicContact CG-CD1 3.98Å; K411-P499 PolarHBondContact NZ-O 2.73Å; K411-D504 IonicContact NZ-OD2 3.15Å; K411-D504 PolarHBondContact NZ-OD2 3.05Å
412	L	89.7	Confident	89.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-39.5	174.5	-70.2	170.6	0	0	0	111.8	T408 I409 L415 G416 N417 L421 I423 V439 Y448	T408-L412 PolarHBondContact O-N 3.34Å; T408-L412 VanDerWaalsContact O-N 3.16Å; I409-L412 PolarHBondContact O-N 3.38Å; L412-L415 CarbonylContact O-C 3.56Å; L412-L415 PolarHBondContact O-N 2.9Å; L412-G416 PolarHBondContact O-N 3.22Å; L412-N417 PolarHBondContact O-N 3.4Å; L412-N417 VanDerWaalsContact O-N 3.08Å; L412-N417 PolarHBondContact O-OD1 3.37Å; L412-L421 HydrophobicContact CD2-CB 4.11Å; L412-I423 HydrophobicContact CD1-CD1 4.5Å; L412-I423 HydrophobicContact CD2-CD1 4.01Å; L412-I423 HydrophobicContact CD2-CG1 4.04Å; L412-I423 HydrophobicContact CG-CD1 3.77Å; L412-I423 HydrophobicContact CG-CG1 4.3Å; L412-V439 HydrophobicContact CB-CG2 4.1Å; L412-V439 HydrophobicContact CD1-CG2 4.02Å; L412-V439 HydrophobicContact CD2-CG2 4.34Å; L412-V439 HydrophobicContact CG-CG2 4.38Å; L412-Y448 HydrophobicContact CB-CE1 4.03Å; L412-Y448 HydrophobicContact CD1-CD1 3.97Å; L412-Y448 HydrophobicContact CD1-CE1 4.23Å
413	R	88.8	Confident	89.6	Confident	150 Å²	150	50.8 Å²	50.8	57%	0.566	24%	0.243	S	C	*	.	H	α-helix	trans	-64.6	-45.6	176.8	-168.8	-176.8	-61.1	153.4	0.5	112.5	I409 S410 K411 L415 G416 N417	I409-R413 WeakPolarHBondContact O-CB 3.32Å; I409-R413 PolarHBondContact O-N 3.14Å; S410-R413 WeakPolarHBondContact O-CB 3.33Å; S410-R413 PolarHBondContact O-N 3.33Å; K411-R413 VanDerWaalsContact C-N 3.28Å; K411-R413 PolarHBondContact O-N 2.9Å; R413-L415 PolarHBondContact O-N 3.3Å; R413-G416 PolarHBondContact O-N 3.33Å; R413-N417 VanDerWaalsContact CA-OD1 3.28Å; R413-N417 WeakPolarHBondContact CA-OD1 3.33Å; R413-N417 PolarHBondContact N-OD1 3.13Å
414	R	84.8	Confident	89.6	Confident	149 Å²	149	50.5 Å²	50.5	56%	0.562	24%	0.241	S	C	*	.	H	α-helix	trans	-60.4	-28.7	175.7	-71.1	-172.4	-51.9	-163.9	7.5	112.5	S410 K411 G416 D504	S410-R414 WeakPolarHBondContact O-CG 3.4Å; S410-R414 PolarHBondContact O-N 3.49Å; K411-R414 PolarHBondContact O-N 3.36Å; R414-G416 VanDerWaalsContact C-N 3.28Å; R414-D504 IonicContact NH2-OD1 2.85Å; R414-D504 PolarHBondContact NH2-OD1 3.49Å
415	L	83.3	Confident	89.7	Confident	65 Å²	65	50 Å²	50	34%	0.34	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	9.6	176.8	-65.3	173.9	0	0	0	113.5	K411 L412 R413 Y418 L421 C498	K411-L415 HydrophobicContact CG-CD1 4.35Å; K411-L415 WeakPolarHBondContact O-CG 3.36Å; K411-L415 PolarHBondContact O-N 3.42Å; K411-L415 VanDerWaalsContact O-N 3.16Å; L412-L415 CarbonylContact O-C 3.56Å; L412-L415 PolarHBondContact O-N 2.9Å; R413-L415 PolarHBondContact O-N 3.3Å; L415-Y418 WeakPolarHBondContact O-CD2 3.35Å; L415-Y418 WeakPolarHBondContact O-CE2 3.43Å; L415-L421 HydrophobicContact CB-CD1 4.05Å; L415-C498 HydrophobicContact CD1-CB 3.79Å; L415-C498 WeakPolarHBondContact CD1-SG 3.43Å
416	G	83.3	Confident	89.9	Confident	44 Å²	44	47 Å²	47	45%	0.454	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	8.5	171.8	0	0	0	0	0	115.5	L412 R413 R414 Y418	L412-G416 PolarHBondContact O-N 3.22Å; R413-G416 PolarHBondContact O-N 3.33Å; R414-G416 VanDerWaalsContact C-N 3.28Å; G416-Y418 PolarHBondContact O-N 3.06Å; G416-Y418 VanDerWaalsContact O-N 3.12Å
417	N	85.3	Confident	90.1	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.203	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	29.3	178	-67.6	-38.7	0	0	0	114.8	L412 R413 Q419 V439 V446 Y448	L412-N417 PolarHBondContact O-N 3.4Å; L412-N417 VanDerWaalsContact O-N 3.08Å; L412-N417 PolarHBondContact O-OD1 3.37Å; R413-N417 VanDerWaalsContact CA-OD1 3.28Å; R413-N417 WeakPolarHBondContact CA-OD1 3.33Å; R413-N417 PolarHBondContact N-OD1 3.13Å; N417-Q419 PolarHBondContact O-N 3.34Å; N417-V439 HydrophobicContact CB-CG1 4.18Å; N417-V439 HydrophobicContact CB-CG2 4.48Å; N417-V446 HydrophobicContact CB-CG1 4.43Å; N417-Y448 PolarHBondContact ND2-OH 2.95Å; N417-Y448 PolarHBondContact OD1-OH 3.24Å
418	Y	84.1	Confident	90.2	Very high	161 Å²	161	43.1 Å²	43.1	63%	0.631	21%	0.208	S	C	*	.			trans	-59.7	137.2	178.7	-61.9	-71.7	0	0	0	111.6	L415 G416 G420 L421	L415-Y418 WeakPolarHBondContact O-CD2 3.35Å; L415-Y418 WeakPolarHBondContact O-CE2 3.43Å; G416-Y418 PolarHBondContact O-N 3.06Å; G416-Y418 VanDerWaalsContact O-N 3.12Å; Y418-G420 PolarHBondContact O-N 3.06Å; Y418-L421 HydrophobicContact CD2-CD1 4.05Å; Y418-L421 HydrophobicContact CG-CD1 4.47Å; Y418-L421 WeakPolarHBondContact O-CB 3.48Å; Y418-L421 WeakPolarHBondContact O-CG 3.39Å; Y418-L421 PolarHBondContact O-N 2.95Å
419	Q	85.6	Confident	90.2	Very high	127 Å²	127	52.9 Å²	52.9	59%	0.593	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	137.3	174.7	-72.8	-173.2	-8.4	0	0	110.5	N417 L421 G441	N417-Q419 PolarHBondContact O-N 3.34Å; Q419-L421 VanDerWaalsContact C-N 3.34Å; Q419-G441 PolarHBondContact NE2-O 2.97Å
420	G	86.4	Confident	90.4	Very high	9 Å²	9	55.9 Å²	55.9	9%	0.093	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-2	-176.7	0	0	0	0	0	115.7	Y418 Q493 I495 R496	Y418-G420 PolarHBondContact O-N 3.06Å; G420-Q493 WeakPolarHBondContact CA-O 3.46Å; G420-I495 PolarHBondContact O-N 3.45Å; G420-R496 PolarHBondContact O-N 2.98Å; G420-R496 VanDerWaalsContact O-N 3.17Å
421	L	89.7	Confident	90.5	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.5	164.2	-68.5	-178.5	0	0	0	111.1	L412 L415 Y418 Q419 F438 R496	L412-L421 HydrophobicContact CD2-CB 4.11Å; L415-L421 HydrophobicContact CB-CD1 4.05Å; Y418-L421 HydrophobicContact CD2-CD1 4.05Å; Y418-L421 HydrophobicContact CG-CD1 4.47Å; Y418-L421 WeakPolarHBondContact O-CB 3.48Å; Y418-L421 WeakPolarHBondContact O-CG 3.39Å; Y418-L421 PolarHBondContact O-N 2.95Å; Q419-L421 VanDerWaalsContact C-N 3.34Å; L421-F438 WeakPolarHBondContact O-CB 3.41Å; L421-R496 WeakPolarHBondContact CA-O 3.39Å; L421-R496 HydrophobicContact CD2-CB 3.96Å; L421-R496 HydrophobicContact CD2-CG 4.26Å
422	Y	92.1	Very high	90.7	Very high	9 Å²	9	57.5 Å²	57.5	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.7	175.3	71.1	-85.7	0	0	0	112.9	M436 S437 M477 L494 R496 C497 C498	Y422-M436 HydrophobicContact CD2-CG 4.29Å; Y422-S437 CarbonylContact C-O 3.53Å; Y422-S437 VanDerWaalsContact CA-O 3.22Å; Y422-S437 WeakPolarHBondContact CA-O 3.3Å; Y422-M477 HydrophobicContact CD2-CE 3.95Å; Y422-M477 HydrophobicContact CE1-CE 4.41Å; Y422-M477 HydrophobicContact CE2-CE 3.25Å; Y422-M477 HydrophobicContact CE2-SD 4.39Å; Y422-L494 HydrophobicContact CD1-CB 3.97Å; Y422-L494 HydrophobicContact CD1-CD2 3.75Å; Y422-L494 HydrophobicContact CD1-CG 4.37Å; Y422-L494 HydrophobicContact CE1-CB 3.99Å; Y422-L494 HydrophobicContact CE1-CD2 4.45Å; Y422-L494 HydrophobicContact CG-CD2 3.81Å; Y422-R496 VanDerWaalsContact CD1-O 3.29Å; Y422-R496 WeakPolarHBondContact CD1-O 3.47Å; Y422-R496 VanDerWaalsContact CE1-C 3.46Å; Y422-R496 PolarHBondContact N-O 3.4Å; Y422-R496 VanDerWaalsContact N-O 3.14Å; Y422-C497 HydrophobicContact CE1-CB 4.05Å; Y422-C497 HydrophobicContact CE2-CB 3.79Å; Y422-C497 VanDerWaalsContact CE2-SG 3.59Å; Y422-C497 VanDerWaalsContact CZ-CB 3.5Å; Y422-C497 WeakPolarHBondContact O-CA 3.45Å; Y422-C497 WeakPolarHBondContact OH-CB 3.33Å; Y422-C498 PolarHBondContact O-N 3.07Å
423	I	94.9	Very high	91.1	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	172.6	-69.2	170.7	0	0	0	108.6	T408 K411 L412 R425 S437 C498	T408-I423 HydrophobicContact CG2-CB 3.96Å; T408-I423 HydrophobicContact CG2-CD1 3.84Å; T408-I423 HydrophobicContact CG2-CG1 4.49Å; T408-I423 HydrophobicContact CG2-CG2 3.95Å; T408-I423 WeakPolarHBondContact O-CD1 3.43Å; K411-I423 HydrophobicContact CB-CD1 3.89Å; K411-I423 HydrophobicContact CD-CD1 4.04Å; K411-I423 HydrophobicContact CG-CD1 3.98Å; L412-I423 HydrophobicContact CD1-CD1 4.5Å; L412-I423 HydrophobicContact CD2-CD1 4.01Å; L412-I423 HydrophobicContact CD2-CG1 4.04Å; L412-I423 HydrophobicContact CG-CD1 3.77Å; L412-I423 HydrophobicContact CG-CG1 4.3Å; I423-R425 HydrophobicContact CG2-CB 4.46Å; I423-S437 PolarHBondContact N-O 2.92Å; I423-S437 PolarHBondContact O-N 3.09Å; I423-C498 HydrophobicContact CD1-CB 4.5Å; I423-C498 HydrophobicContact CG1-CB 3.77Å
424	L	95.9	Very high	91.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.3	167.4	-173.9	64.4	0	0	0	109.1	C399 H400 F435 I453 L473 M477	C399-L424 HydrophobicContact CB-CD2 3.9Å; C399-L424 HydrophobicContact CB-CG 4.01Å; H400-L424 PolarHBondContact N-O 3.04Å; H400-L424 PolarHBondContact ND1-O 3.24Å; L424-F435 WeakPolarHBondContact CA-O 3.27Å; L424-I453 HydrophobicContact CD1-CD1 3.75Å; L424-L473 HydrophobicContact CD2-CB 4.23Å; L424-L473 HydrophobicContact CD2-CD1 4.26Å; L424-L473 HydrophobicContact CD2-CD2 4.47Å; L424-M477 HydrophobicContact CD1-SD 4.41Å; L424-M477 HydrophobicContact CD2-CG 4.13Å
425	R	96.6	Very high	92	Very high	9 Å²	9	47.8 Å²	47.8	3%	0.034	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.4	-178.6	65	-175.4	177	79.2	3	113	H400 T408 I423 F434 F435 S437	H400-R425 HydrophobicContact CB-CB 3.86Å; H400-R425 CarbonylContact O-C 3.39Å; H400-R425 WeakPolarHBondContact O-CA 3.47Å; T408-R425 WeakPolarHBondContact OG1-CD 3.35Å; T408-R425 PolarHBondContact OG1-NE 3.14Å; I423-R425 HydrophobicContact CG2-CB 4.46Å; R425-F434 CarbonylContact O-C 3.57Å; R425-F434 VanDerWaalsContact O-CA 3.31Å; R425-F434 WeakPolarHBondContact O-CA 3.22Å; R425-F435 HydrophobicContact CG-CB 3.95Å; R425-F435 PolarHBondContact N-O 3.43Å; R425-F435 PolarHBondContact O-N 3.5Å; R425-S437 PolarHBondContact NE-OG 3.14Å
426	C	97.1	Very high	92.5	Very high	22 Å²	22	44.8 Å²	44.8	15%	0.149	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	152	168.3	-55.9	0	0	0	0	110.8	H400 G401 P402 F434	H400-C426 PolarHBondContact O-N 3.32Å; H400-C426 PolarHBondContact O-SG 3.39Å; H400-C426 VanDerWaalsContact O-SG 3.33Å; G401-C426 PolarHBondContact O-N 3Å; P402-C426 HydrophobicContact CB-CB 4.48Å; C426-F434 HydrophobicContact CB-CD1 4.32Å; C426-F434 HydrophobicContact CB-CE1 4.44Å; C426-F434 VanDerWaalsContact SG-CE1 3.6Å
427	S	96.5	Very high	93.1	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.028	19%	0.193	C	C	.	.			trans	-69.4	134.4	171.9	173.4	0	0	0	0	110.5	R429 E430 K433	S427-R429 PolarHBondContact O-N 3.35Å; S427-R429 PolarHBondContact OG-N 3.03Å; S427-E430 WeakPolarHBondContact CB-O 3.48Å; S427-E430 PolarHBondContact OG-N 3.14Å; S427-K433 WeakPolarHBondContact CB-O 3.3Å; S427-K433 PolarHBondContact N-O 3.35Å
428	P	94.5	Very high	93.4	Very high	31 Å²	31	41 Å²	41	20%	0.201	18%	0.184	C	C	.	.	S	Bend	trans	-73.1	-6.6	175.3	29.8	-34.3	0	0	0	113.7	P86 V87 P402	P86-P428 WeakPolarHBondContact CD-O 3.29Å; V87-P428 HydrophobicContact CG2-CB 3.8Å; P402-P428 HydrophobicContact CB-CB 4.37Å
429	R	93.4	Very high	93.6	Very high	209 Å²	209	33.7 Å²	33.7	79%	0.789	16%	0.156	S	C	*	.	S	Bend	trans	-119	-32.2	-175.4	-63.5	-174.7	-179.1	-167.7	0.1	114.1	P86 S427	P86-R429 WeakPolarHBondContact CD-O 3.33Å; S427-R429 PolarHBondContact O-N 3.35Å; S427-R429 PolarHBondContact OG-N 3.03Å
430	E	95.1	Very high	93.7	Very high	89 Å²	89	28 Å²	28	42%	0.416	13%	0.13	S	C	.	.			trans	-129.9	123.6	-170.1	-65.4	179.9	-101.7	0	0	110.8	S427 D432 K433	S427-E430 WeakPolarHBondContact CB-O 3.48Å; S427-E430 PolarHBondContact OG-N 3.14Å; E430-D432 VanDerWaalsContact C-N 3.27Å; E430-D432 PolarHBondContact O-N 3.15Å; E430-K433 HydrophobicContact CB-CB 4.17Å; E430-K433 HydrophobicContact CB-CD 4.08Å; E430-K433 HydrophobicContact CB-CG 4.17Å; E430-K433 HydrophobicContact CG-CD 4.42Å; E430-K433 PolarHBondContact O-N 3.06Å; E430-K433 WeakPolarHBondContact OE1-CD 3.44Å; E430-K433 WeakPolarHBondContact OE1-CE 3.19Å; E430-K433 IonicContact OE1-NZ 3.78Å; E430-K433 PolarHBondContact OE1-NZ 3.06Å; E430-K433 WeakPolarHBondContact OE2-CD 3.42Å; E430-K433 WeakPolarHBondContact OE2-CE 3.27Å; E430-K433 IonicContact OE2-NZ 2.73Å; E430-K433 PolarHBondContact OE2-NZ 3.49Å
431	Y	93.9	Very high	93.3	Very high	21 Å²	21	28.2 Å²	28.2	8%	0.082	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.9	-171.5	-72.7	-88.7	0	0	0	115.3	I76 A79 K80 I84 S85 P86 C89 R390	I76-Y431 HydrophobicContact CB-CD1 4.39Å; I76-Y431 HydrophobicContact CG1-CD1 4.01Å; I76-Y431 HydrophobicContact CG1-CE1 4.07Å; I76-Y431 HydrophobicContact CG2-CD1 3.64Å; I76-Y431 HydrophobicContact CG2-CD2 4.32Å; I76-Y431 HydrophobicContact CG2-CE1 4.14Å; I76-Y431 HydrophobicContact CG2-CG 3.75Å; A79-Y431 WeakPolarHBondContact CB-OH 3.44Å; K80-Y431 HydrophobicContact CD-CD2 4.3Å; K80-Y431 HydrophobicContact CG-CD2 3.64Å; K80-Y431 HydrophobicContact CG-CE2 3.91Å; I84-Y431 WeakPolarHBondContact O-CE2 3.24Å; I84-Y431 PolarHBondContact O-OH 3.43Å; S85-Y431 PolarHBondContact O-OH 2.89Å; P86-Y431 HydrophobicContact CB-CD1 4.27Å; P86-Y431 HydrophobicContact CB-CE1 4.05Å; P86-Y431 HydrophobicContact CG-CD1 4Å; P86-Y431 HydrophobicContact CG-CD2 3.95Å; P86-Y431 HydrophobicContact CG-CE1 4Å; P86-Y431 HydrophobicContact CG-CE2 3.94Å; P86-Y431 HydrophobicContact CG-CG 3.97Å; C89-Y431 HydrophobicContact CB-CE1 3.9Å; C89-Y431 WeakPolarHBondContact CB-OH 3.28Å; R390-Y431 PolarHBondContact NH1-O 2.85Å
432	D	94.8	Very high	92.3	Very high	55 Å²	55	36.6 Å²	36.6	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	16.6	-173.6	-50	-46.4	0	0	0	111.6	K80 R390 E430 K455	K80-D432 IonicContact NZ-OD1 3.72Å; K80-D432 IonicContact NZ-OD2 2.79Å; K80-D432 PolarHBondContact NZ-OD2 3.44Å; R390-D432 IonicContact NH2-OD1 3.5Å; R390-D432 PolarHBondContact NH2-OD1 3.4Å; E430-D432 VanDerWaalsContact C-N 3.27Å; E430-D432 PolarHBondContact O-N 3.15Å; D432-K455 HydrophobicContact CB-CB 4.38Å; D432-K455 PolarHBondContact O-N 3.34Å
433	K	96.1	Very high	90.7	Very high	48 Å²	48	45.7 Å²	45.7	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.2	175.3	-67.1	-174	-176.9	168.1	0	111.5	S427 E430 Q452 I453 V454	S427-K433 WeakPolarHBondContact CB-O 3.3Å; S427-K433 PolarHBondContact N-O 3.35Å; E430-K433 HydrophobicContact CB-CB 4.17Å; E430-K433 HydrophobicContact CB-CD 4.08Å; E430-K433 HydrophobicContact CB-CG 4.17Å; E430-K433 HydrophobicContact CG-CD 4.42Å; E430-K433 PolarHBondContact O-N 3.06Å; E430-K433 WeakPolarHBondContact OE1-CD 3.44Å; E430-K433 WeakPolarHBondContact OE1-CE 3.19Å; E430-K433 IonicContact OE1-NZ 3.78Å; E430-K433 PolarHBondContact OE1-NZ 3.06Å; E430-K433 WeakPolarHBondContact OE2-CD 3.42Å; E430-K433 WeakPolarHBondContact OE2-CE 3.27Å; E430-K433 IonicContact OE2-NZ 2.73Å; E430-K433 PolarHBondContact OE2-NZ 3.49Å; K433-Q452 HydrophobicContact CD-CG 4.33Å; K433-I453 CarbonylContact C-O 3.49Å; K433-I453 WeakPolarHBondContact CA-O 3.41Å; K433-V454 HydrophobicContact CG-CG2 4.45Å
434	F	97.3	Very high	89.2	Confident	10 Å²	10	52.4 Å²	52.4	4%	0.044	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.1	177.2	-54.1	-102.3	0	0	0	109	R425 C426 Q452 I453 K455 F461 L473	R425-F434 CarbonylContact O-C 3.57Å; R425-F434 VanDerWaalsContact O-CA 3.31Å; R425-F434 WeakPolarHBondContact O-CA 3.22Å; C426-F434 HydrophobicContact CB-CD1 4.32Å; C426-F434 HydrophobicContact CB-CE1 4.44Å; C426-F434 VanDerWaalsContact SG-CE1 3.6Å; F434-Q452 WeakPolarHBondContact O-CA 3.41Å; F434-I453 HydrophobicContact CB-CB 4.15Å; F434-I453 PolarHBondContact N-O 2.81Å; F434-I453 PolarHBondContact O-N 2.87Å; F434-K455 HydrophobicContact CE2-CB 4.15Å; F434-F461 HydrophobicContact CD2-CD1 4.47Å; F434-F461 HydrophobicContact CD2-CE1 4.23Å; F434-F461 HydrophobicContact CE2-CD1 4.29Å; F434-F461 AromaticContact CE2-CE1 3.67Å; F434-F461 HydrophobicContact CE2-CE1 3.67Å; F434-F461 HydrophobicContact CZ-CE1 4.01Å; F434-L473 HydrophobicContact CD1-CD1 3.88Å; F434-L473 HydrophobicContact CE1-CD1 3.86Å; F434-L473 HydrophobicContact CG-CD1 4.36Å; F434-L473 HydrophobicContact CZ-CD1 4.35Å
435	F	96.6	Very high	88.2	Confident	38 Å²	38	60 Å²	60	17%	0.167	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.9	177.6	-68.8	-76.1	0	0	0	111	L424 R425 H450 C451 Q452	L424-F435 WeakPolarHBondContact CA-O 3.27Å; R425-F435 HydrophobicContact CG-CB 3.95Å; R425-F435 PolarHBondContact N-O 3.43Å; R425-F435 PolarHBondContact O-N 3.5Å; F435-H450 HydrophobicContact CD1-CB 4.17Å; F435-C451 WeakPolarHBondContact CA-O 3.24Å; F435-Q452 HydrophobicContact CD1-CB 4.38Å; F435-Q452 HydrophobicContact CE1-CB 4.13Å; F435-Q452 HydrophobicContact CE1-CG 4.37Å
436	M	94.4	Very high	87.6	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.7	163.6	-179.4	176.1	68.5	0	0	107.9	Y422 F438 H450 C451 I453 L463 M477 L485 F492 L494	Y422-M436 HydrophobicContact CD2-CG 4.29Å; M436-F438 HydrophobicContact CE-CE1 4.27Å; M436-F438 HydrophobicContact CG-CD1 4.3Å; M436-F438 WeakPolarHBondContact O-CD1 3.06Å; M436-H450 WeakPolarHBondContact O-CA 3.43Å; M436-C451 HydrophobicContact CB-CB 4.44Å; M436-C451 HydrophobicContact CE-CB 3.91Å; M436-C451 PolarHBondContact N-O 2.99Å; M436-C451 PolarHBondContact O-N 3.19Å; M436-I453 HydrophobicContact CB-CD1 4.29Å; M436-L463 HydrophobicContact CE-CD1 4.21Å; M436-M477 HydrophobicContact SD-CE 3.8Å; M436-M477 HydrophobicContact SD-SD 4.21Å; M436-L485 HydrophobicContact CE-CD1 4.04Å; M436-F492 HydrophobicContact CE-CZ 4.5Å; M436-L494 HydrophobicContact CE-CD1 4.19Å; M436-L494 HydrophobicContact CE-CD2 4.39Å; M436-L494 HydrophobicContact CG-CD2 4.43Å; M436-L494 HydrophobicContact SD-CD1 3.44Å; M436-L494 WeakPolarHBondContact SD-CD1 3.18Å; M436-L494 HydrophobicContact SD-CD2 3.8Å; M436-L494 HydrophobicContact SD-CG 4.24Å
437	S	94.3	Very high	87.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	-176	-53.6	0	0	0	0	110.4	Y422 I423 R425 K449 H450	Y422-S437 CarbonylContact C-O 3.53Å; Y422-S437 VanDerWaalsContact CA-O 3.22Å; Y422-S437 WeakPolarHBondContact CA-O 3.3Å; I423-S437 PolarHBondContact N-O 2.92Å; I423-S437 PolarHBondContact O-N 3.09Å; R425-S437 PolarHBondContact NE-OG 3.14Å; S437-K449 CarbonylContact C-O 3.58Å; S437-K449 VanDerWaalsContact CA-O 3.29Å; S437-K449 WeakPolarHBondContact CA-O 3.37Å; S437-H450 VanDerWaalsContact CB-ND1 3.28Å; S437-H450 WeakPolarHBondContact CB-ND1 3.29Å; S437-H450 PolarHBondContact OG-ND1 2.61Å
438	F	91.9	Very high	86.9	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.009	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.4	-173.7	55.4	-85.5	0	0	0	111.9	L421 M436 V440 K449 C451 T487 F492	L421-F438 WeakPolarHBondContact O-CB 3.41Å; M436-F438 HydrophobicContact CE-CE1 4.27Å; M436-F438 HydrophobicContact CG-CD1 4.3Å; M436-F438 WeakPolarHBondContact O-CD1 3.06Å; F438-V440 HydrophobicContact CD2-CG1 3.65Å; F438-V440 HydrophobicContact CE2-CG1 3.46Å; F438-V440 VanDerWaalsContact CE2-CG1 3.46Å; F438-K449 HydrophobicContact CD2-CB 4.33Å; F438-K449 HydrophobicContact CE1-CB 4.19Å; F438-K449 HydrophobicContact CE2-CB 3.72Å; F438-K449 HydrophobicContact CE2-CG 4.4Å; F438-K449 HydrophobicContact CZ-CB 3.63Å; F438-K449 PolarHBondContact N-O 3.28Å; F438-K449 PolarHBondContact O-N 3.16Å; F438-C451 HydrophobicContact CE1-CB 4.26Å; F438-C451 VanDerWaalsContact CE1-SG 3.56Å; F438-T487 HydrophobicContact CE2-CG2 4.16Å; F438-T487 HydrophobicContact CZ-CG2 3.79Å; F438-F492 HydrophobicContact CD1-CE2 4.12Å; F438-F492 HydrophobicContact CD1-CZ 4.41Å; F438-F492 HydrophobicContact CD2-CD1 4.49Å; F438-F492 AromaticContact CD2-CD2 3.76Å; F438-F492 HydrophobicContact CD2-CD2 3.76Å; F438-F492 AromaticContact CD2-CE2 3.84Å; F438-F492 HydrophobicContact CD2-CE2 3.84Å; F438-F492 HydrophobicContact CD2-CG 4.11Å; F438-F492 HydrophobicContact CD2-CZ 4.25Å; F438-F492 HydrophobicContact CE1-CE1 4.4Å; F438-F492 AromaticContact CE1-CE2 3.84Å; F438-F492 HydrophobicContact CE1-CE2 3.84Å; F438-F492 AromaticContact CE1-CZ 3.67Å; F438-F492 HydrophobicContact CE1-CZ 3.67Å; F438-F492 AromaticContact CE2-CD1 3.63Å; F438-F492 HydrophobicContact CE2-CD1 3.63Å; F438-F492 AromaticContact CE2-CD2 3.62Å; F438-F492 HydrophobicContact CE2-CD2 3.62Å; F438-F492 AromaticContact CE2-CE1 3.52Å; F438-F492 HydrophobicContact CE2-CE1 3.52Å; F438-F492 AromaticContact CE2-CE2 3.5Å; F438-F492 HydrophobicContact CE2-CE2 3.5Å; F438-F492 VanDerWaalsContact CE2-CE2 3.5Å; F438-F492 AromaticContact CE2-CG 3.69Å; F438-F492 HydrophobicContact CE2-CG 3.69Å; F438-F492 AromaticContact CE2-CZ 3.45Å; F438-F492 HydrophobicContact CE2-CZ 3.45Å; F438-F492 VanDerWaalsContact CE2-CZ 3.45Å; F438-F492 HydrophobicContact CG-CD2 4.36Å; F438-F492 HydrophobicContact CG-CE2 4.13Å; F438-F492 HydrophobicContact CZ-CD1 4.05Å; F438-F492 HydrophobicContact CZ-CD2 4.13Å; F438-F492 AromaticContact CZ-CE1 3.42Å; F438-F492 HydrophobicContact CZ-CE1 3.42Å; F438-F492 VanDerWaalsContact CZ-CE1 3.42Å; F438-F492 AromaticContact CZ-CE2 3.5Å; F438-F492 HydrophobicContact CZ-CE2 3.5Å; F438-F492 HydrophobicContact CZ-CG 4.38Å; F438-F492 AromaticContact CZ-CZ 3.1Å; F438-F492 HydrophobicContact CZ-CZ 3.1Å
439	V	89.4	Confident	86.8	Confident	8 Å²	8	66.2 Å²	66.2	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.5	-177.5	-171.4	0	0	0	0	110.3	L412 N417 V446 Y448	L412-V439 HydrophobicContact CB-CG2 4.1Å; L412-V439 HydrophobicContact CD1-CG2 4.02Å; L412-V439 HydrophobicContact CD2-CG2 4.34Å; L412-V439 HydrophobicContact CG-CG2 4.38Å; N417-V439 HydrophobicContact CB-CG1 4.18Å; N417-V439 HydrophobicContact CB-CG2 4.48Å; V439-V446 HydrophobicContact CG1-CG1 3.31Å; V439-Y448 HydrophobicContact CG2-CD1 4.08Å; V439-Y448 HydrophobicContact CG2-CE1 3.87Å
440	V	87.4	Confident	86.7	Confident	6 Å²	6	58.7 Å²	58.7	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.9	171.5	-57.5	0	0	0	0	110.6	F438 D447 K449 Y490	F438-V440 HydrophobicContact CD2-CG1 3.65Å; F438-V440 HydrophobicContact CE2-CG1 3.46Å; F438-V440 VanDerWaalsContact CE2-CG1 3.46Å; V440-D447 HydrophobicContact CG2-CB 3.92Å; V440-D447 PolarHBondContact N-O 3.46Å; V440-D447 PolarHBondContact O-N 3.09Å; V440-D447 VanDerWaalsContact O-O 3.07Å; V440-K449 HydrophobicContact CG1-CG 4.04Å; V440-K449 HydrophobicContact CG2-CD 4.47Å; V440-K449 HydrophobicContact CG2-CG 3.62Å; V440-Y490 HydrophobicContact CB-CD1 4.16Å; V440-Y490 HydrophobicContact CB-CG 4.21Å; V440-Y490 HydrophobicContact CG2-CD1 4.32Å; V440-Y490 HydrophobicContact CG2-CD2 4.28Å; V440-Y490 HydrophobicContact CG2-CE1 4.45Å; V440-Y490 HydrophobicContact CG2-CE2 4.41Å; V440-Y490 HydrophobicContact CG2-CG 4.23Å
441	G	76.8	Confident	86.7	Confident	15 Å²	15	55.4 Å²	55.4	16%	0.155	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.3	178.5	178.6	0	0	0	0	0	114.1	Q419 M445	Q419-G441 PolarHBondContact NE2-O 2.97Å; G441-M445 WeakPolarHBondContact CA-O 3.38Å
442	Y	68.9	Low	86.7	Confident	188 Å²	188	57.3 Å²	57.3	74%	0.737	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	165.1	-177.2	-57.6	-81.7	0	0	0	110.3	T444 M445	Y442-T444 PolarHBondContact O-N 3.22Å; Y442-M445 PolarHBondContact N-O 3Å; Y442-M445 CarbonylContact O-C 3.35Å; Y442-M445 PolarHBondContact O-N 2.99Å
443	E	59.5	Low	86.8	Confident	201 Å²	201	54.7 Å²	54.7	94%	0.939	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-29.4	-167.8	-70.7	-177.8	159.8	0	0	116.1
444	T	62.1	Low	86.8	Confident	142 Å²	142	54.6 Å²	54.6	87%	0.871	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.1	-180	57.8	0	0	0	0	114.8	Y442	Y442-T444 PolarHBondContact O-N 3.22Å
445	M	74.8	Confident	86.7	Confident	159 Å²	159	56.5 Å²	56.5	78%	0.783	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	93.5	-175.8	-142.9	-179.1	-179.3	0	0	110.2	G441 Y442	G441-M445 WeakPolarHBondContact CA-O 3.38Å; Y442-M445 PolarHBondContact N-O 3Å; Y442-M445 CarbonylContact O-C 3.35Å; Y442-M445 PolarHBondContact O-N 2.99Å
446	V	84.1	Confident	86.5	Confident	62 Å²	62	56.8 Å²	56.8	38%	0.376	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.3	-178.5	-178.4	0	0	0	0	109.6	N417 V439 Y448	N417-V446 HydrophobicContact CB-CG1 4.43Å; V439-V446 HydrophobicContact CG1-CG1 3.31Å; V446-Y448 HydrophobicContact CG1-CE2 4.38Å
447	D	87.8	Confident	86.1	Confident	63 Å²	63	66.6 Å²	66.6	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.3	172.5	-168.6	19.5	0	0	0	110.2	V440 K449	V440-D447 HydrophobicContact CG2-CB 3.92Å; V440-D447 PolarHBondContact N-O 3.46Å; V440-D447 PolarHBondContact O-N 3.09Å; V440-D447 VanDerWaalsContact O-O 3.07Å; D447-K449 WeakPolarHBondContact OD2-CE 3.32Å; D447-K449 IonicContact OD2-NZ 2.7Å; D447-K449 PolarHBondContact OD2-NZ 3.44Å
448	Y	91.4	Very high	85.8	Confident	34 Å²	34	71.1 Å²	71.1	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	-178.8	-60.6	-86.1	0	0	0	109.4	I409 L412 N417 V439 V446	I409-Y448 HydrophobicContact CD1-CD2 4.35Å; I409-Y448 HydrophobicContact CD1-CG 4.33Å; I409-Y448 HydrophobicContact CG1-CD1 4.18Å; I409-Y448 HydrophobicContact CG1-CD2 4.26Å; I409-Y448 HydrophobicContact CG1-CG 3.94Å; I409-Y448 HydrophobicContact CG2-CD1 4.26Å; I409-Y448 HydrophobicContact CG2-CD2 3.89Å; I409-Y448 HydrophobicContact CG2-CE1 4Å; I409-Y448 HydrophobicContact CG2-CE2 3.6Å; I409-Y448 HydrophobicContact CG2-CG 4.21Å; L412-Y448 HydrophobicContact CB-CE1 4.03Å; L412-Y448 HydrophobicContact CD1-CD1 3.97Å; L412-Y448 HydrophobicContact CD1-CE1 4.23Å; N417-Y448 PolarHBondContact ND2-OH 2.95Å; N417-Y448 PolarHBondContact OD1-OH 3.24Å; V439-Y448 HydrophobicContact CG2-CD1 4.08Å; V439-Y448 HydrophobicContact CG2-CE1 3.87Å; V446-Y448 HydrophobicContact CG1-CE2 4.38Å
449	K	92.2	Very high	85.6	Confident	39 Å²	39	72.2 Å²	72.2	17%	0.17	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	152.3	179.3	-62.8	-59	-175.4	-162.9	0	111	S437 F438 V440 D447 T487 D488	S437-K449 CarbonylContact C-O 3.58Å; S437-K449 VanDerWaalsContact CA-O 3.29Å; S437-K449 WeakPolarHBondContact CA-O 3.37Å; F438-K449 HydrophobicContact CD2-CB 4.33Å; F438-K449 HydrophobicContact CE1-CB 4.19Å; F438-K449 HydrophobicContact CE2-CB 3.72Å; F438-K449 HydrophobicContact CE2-CG 4.4Å; F438-K449 HydrophobicContact CZ-CB 3.63Å; F438-K449 PolarHBondContact N-O 3.28Å; F438-K449 PolarHBondContact O-N 3.16Å; V440-K449 HydrophobicContact CG1-CG 4.04Å; V440-K449 HydrophobicContact CG2-CD 4.47Å; V440-K449 HydrophobicContact CG2-CG 3.62Å; D447-K449 WeakPolarHBondContact OD2-CE 3.32Å; D447-K449 IonicContact OD2-NZ 2.7Å; D447-K449 PolarHBondContact OD2-NZ 3.44Å; K449-T487 HydrophobicContact CB-CG2 4.25Å; K449-T487 HydrophobicContact CG-CG2 4.16Å; K449-D488 IonicContact NZ-OD2 3.64Å
450	H	93.2	Very high	85.8	Confident	51 Å²	51	75.6 Å²	75.6	24%	0.236	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.8	-176	-51.4	-74.5	0	0	0	109.5	M405 F435 M436 S437	M405-H450 WeakPolarHBondContact CE-NE2 3.1Å; F435-H450 HydrophobicContact CD1-CB 4.17Å; M436-H450 WeakPolarHBondContact O-CA 3.43Å; S437-H450 VanDerWaalsContact CB-ND1 3.28Å; S437-H450 WeakPolarHBondContact CB-ND1 3.29Å; S437-H450 PolarHBondContact OG-ND1 2.61Å
451	C	93.1	Very high	86.2	Confident	20 Å²	20	75.3 Å²	75.3	14%	0.135	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.8	173.7	-68.3	0	0	0	0	109.9	F435 M436 F438 L463	F435-C451 WeakPolarHBondContact CA-O 3.24Å; M436-C451 HydrophobicContact CB-CB 4.44Å; M436-C451 HydrophobicContact CE-CB 3.91Å; M436-C451 PolarHBondContact N-O 2.99Å; M436-C451 PolarHBondContact O-N 3.19Å; F438-C451 HydrophobicContact CE1-CB 4.26Å; F438-C451 VanDerWaalsContact CE1-SG 3.56Å; C451-L463 HydrophobicContact CB-CD1 3.97Å
452	Q	95.4	Very high	87	Confident	60 Å²	60	77.3 Å²	77.3	28%	0.28	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.5	179.9	-177.1	-176.3	-54.9	0	0	111.1	K433 F434 F435 V454 S464	K433-Q452 HydrophobicContact CD-CG 4.33Å; F434-Q452 WeakPolarHBondContact O-CA 3.41Å; F435-Q452 HydrophobicContact CD1-CB 4.38Å; F435-Q452 HydrophobicContact CE1-CB 4.13Å; F435-Q452 HydrophobicContact CE1-CG 4.37Å; Q452-V454 HydrophobicContact CG-CG2 4.2Å; Q452-S464 VanDerWaalsContact O-CB 3.25Å; Q452-S464 WeakPolarHBondContact O-CB 3.5Å; Q452-S464 PolarHBondContact O-N 3.37Å; Q452-S464 PolarHBondContact O-OG 3.33Å
453	I	96.4	Very high	88.2	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.4	169.1	-60.6	161.8	0	0	0	107.4	L424 K433 F434 M436 F461 I462 L463 L473 L476	L424-I453 HydrophobicContact CD1-CD1 3.75Å; K433-I453 CarbonylContact C-O 3.49Å; K433-I453 WeakPolarHBondContact CA-O 3.41Å; F434-I453 HydrophobicContact CB-CB 4.15Å; F434-I453 PolarHBondContact N-O 2.81Å; F434-I453 PolarHBondContact O-N 2.87Å; M436-I453 HydrophobicContact CB-CD1 4.29Å; I453-F461 HydrophobicContact CG2-CB 4.29Å; I453-F461 HydrophobicContact CG2-CD1 4.31Å; I453-I462 CarbonylContact C-O 3.57Å; I453-I462 WeakPolarHBondContact CA-O 3.16Å; I453-L463 HydrophobicContact CG1-CD1 3.71Å; I453-L473 HydrophobicContact CD1-CD2 4.35Å; I453-L473 HydrophobicContact CG2-CD2 3.96Å; I453-L476 HydrophobicContact CD1-CD2 4.03Å; I453-L476 HydrophobicContact CG2-CD1 3.9Å
454	V	96.2	Very high	89.7	Confident	46 Å²	46	62.3 Å²	62.3	28%	0.279	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.4	-178.4	-176.1	0	0	0	0	109.3	K433 Q452 F461 I462	K433-V454 HydrophobicContact CG-CG2 4.45Å; Q452-V454 HydrophobicContact CG-CG2 4.2Å; V454-F461 WeakPolarHBondContact O-CA 3.39Å; V454-I462 PolarHBondContact N-O 3.08Å; V454-I462 PolarHBondContact O-N 3.32Å
455	K	94.6	Very high	90.7	Very high	51 Å²	51	59.9 Å²	59.9	22%	0.222	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.8	167.7	-172.1	174.4	-173.6	168	0	108.6	E393 D432 F434 E460 F461	E393-K455 IonicContact OE2-NZ 2.83Å; D432-K455 HydrophobicContact CB-CB 4.38Å; D432-K455 PolarHBondContact O-N 3.34Å; F434-K455 HydrophobicContact CE2-CB 4.15Å; K455-E460 CarbonylContact C-O 3.59Å; K455-E460 WeakPolarHBondContact CA-O 3.44Å; K455-F461 HydrophobicContact CB-CD1 4.15Å; K455-F461 HydrophobicContact CB-CE1 3.95Å; K455-F461 HydrophobicContact CD-CE1 3.9Å; K455-F461 HydrophobicContact CD-CZ 3.75Å; K455-F461 HydrophobicContact CG-CD1 4.41Å; K455-F461 HydrophobicContact CG-CE1 4Å; K455-F461 HydrophobicContact CG-CZ 4.12Å
456	T	92.6	Very high	91.2	Very high	43 Å²	43	53.7 Å²	53.7	26%	0.264	32%	0.318	S	S	.	.			trans	-77	167.4	178.8	63.3	0	0	0	0	111.2	S458 G459 E460 I462	T456-S458 PolarHBondContact O-N 3.26Å; T456-S458 PolarHBondContact OG1-OG 2.82Å; T456-G459 WeakPolarHBondContact O-CA 3.2Å; T456-G459 PolarHBondContact O-N 3.46Å; T456-E460 PolarHBondContact N-O 2.81Å; T456-E460 PolarHBondContact OG1-N 2.96Å; T456-E460 PolarHBondContact OG1-O 3.3Å; T456-I462 HydrophobicContact CG2-CD1 3.63Å; T456-I462 HydrophobicContact CG2-CG1 4.21Å
457	E	87	Confident	91.1	Very high	209 Å²	209	61 Å²	61	98%	0.977	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30	173.3	-65	178.9	178.5	0	0	112.6	G459	E457-G459 PolarHBondContact O-N 3.31Å
458	S	86.8	Confident	91.3	Very high	94 Å²	94	65 Å²	65	66%	0.657	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.3	172.5	56	0	0	0	0	114	T456	T456-S458 PolarHBondContact O-N 3.26Å; T456-S458 PolarHBondContact OG1-OG 2.82Å
459	G	88.2	Confident	91.4	Very high	26 Å²	26	65.8 Å²	65.8	27%	0.268	37%	0.365	S	S	.	.	S	Bend	trans	87	3.7	179.6	0	0	0	0	0	115.2	T456 E457	T456-G459 WeakPolarHBondContact O-CA 3.2Å; T456-G459 PolarHBondContact O-N 3.46Å; E457-G459 PolarHBondContact O-N 3.31Å
460	E	93.9	Very high	91.5	Very high	78 Å²	78	65.2 Å²	65.2	36%	0.364	36%	0.363	S	S	.	.			trans	-84.2	150.5	-179.3	-56.6	-171.2	143.5	0	0	112.5	K455 T456 S469 F470	K455-E460 CarbonylContact C-O 3.59Å; K455-E460 WeakPolarHBondContact CA-O 3.44Å; T456-E460 PolarHBondContact N-O 2.81Å; T456-E460 PolarHBondContact OG1-N 2.96Å; T456-E460 PolarHBondContact OG1-O 3.3Å; E460-S469 WeakPolarHBondContact OE2-CB 3.22Å; E460-S469 PolarHBondContact OE2-OG 3.48Å; E460-F470 CarbonylContact C-O 3.58Å; E460-F470 WeakPolarHBondContact CA-O 3.22Å
461	F	94.9	Very high	91.5	Very high	1 Å²	1	65.4 Å²	65.4	0%	0.004	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	179.3	-63.8	-90	0	0	0	111.9	E393 F434 I453 V454 K455 S469 F470 L473 L476	E393-F461 VanDerWaalsContact OE1-CZ 3.23Å; E393-F461 WeakPolarHBondContact OE1-CZ 3.49Å; F434-F461 HydrophobicContact CD2-CD1 4.47Å; F434-F461 HydrophobicContact CD2-CE1 4.23Å; F434-F461 HydrophobicContact CE2-CD1 4.29Å; F434-F461 AromaticContact CE2-CE1 3.67Å; F434-F461 HydrophobicContact CE2-CE1 3.67Å; F434-F461 HydrophobicContact CZ-CE1 4.01Å; I453-F461 HydrophobicContact CG2-CB 4.29Å; I453-F461 HydrophobicContact CG2-CD1 4.31Å; V454-F461 WeakPolarHBondContact O-CA 3.39Å; K455-F461 HydrophobicContact CB-CD1 4.15Å; K455-F461 HydrophobicContact CB-CE1 3.95Å; K455-F461 HydrophobicContact CD-CE1 3.9Å; K455-F461 HydrophobicContact CD-CZ 3.75Å; K455-F461 HydrophobicContact CG-CD1 4.41Å; K455-F461 HydrophobicContact CG-CE1 4Å; K455-F461 HydrophobicContact CG-CZ 4.12Å; F461-S469 WeakPolarHBondContact O-CA 3.41Å; F461-F470 PolarHBondContact N-O 3.31Å; F461-F470 PolarHBondContact O-N 2.75Å; F461-L473 HydrophobicContact CD1-CD2 3.53Å; F461-L473 HydrophobicContact CD1-CG 3.7Å; F461-L473 HydrophobicContact CE1-CD1 4.07Å; F461-L473 HydrophobicContact CE1-CD2 3.9Å; F461-L473 HydrophobicContact CE1-CG 3.61Å; F461-L473 HydrophobicContact CG-CD2 4.11Å; F461-L473 HydrophobicContact CG-CG 4.21Å; F461-L473 HydrophobicContact CZ-CG 4.06Å; F461-L476 HydrophobicContact CB-CD1 3.89Å
462	I	94.9	Very high	91.5	Very high	56 Å²	56	65.9 Å²	65.9	29%	0.287	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.2	-179.6	-54.7	177	0	0	0	109.6	I453 V454 T456	I453-I462 CarbonylContact C-O 3.57Å; I453-I462 WeakPolarHBondContact CA-O 3.16Å; V454-I462 PolarHBondContact N-O 3.08Å; V454-I462 PolarHBondContact O-N 3.32Å; T456-I462 HydrophobicContact CG2-CD1 3.63Å; T456-I462 HydrophobicContact CG2-CG1 4.21Å
463	L	93.6	Very high	91.4	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.063	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.6	168.7	179.1	65.9	0	0	0	108.9	M436 C451 I453 G465 A466 L476 Y480	M436-L463 HydrophobicContact CE-CD1 4.21Å; C451-L463 HydrophobicContact CB-CD1 3.97Å; I453-L463 HydrophobicContact CG1-CD1 3.71Å; L463-G465 PolarHBondContact O-N 2.83Å; L463-A466 HydrophobicContact CB-CB 4.06Å; L463-A466 WeakPolarHBondContact O-CB 3.43Å; L463-A466 PolarHBondContact O-N 3.07Å; L463-L476 HydrophobicContact CB-CD1 4.46Å; L463-Y480 HydrophobicContact CB-CE2 4.17Å; L463-Y480 HydrophobicContact CD2-CD2 4.14Å; L463-Y480 HydrophobicContact CD2-CE2 4.11Å; L463-Y480 HydrophobicContact CD2-CG 4.49Å
464	S	89.6	Confident	91.1	Very high	62 Å²	62	69.1 Å²	69.1	43%	0.434	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125	-176.9	-57.2	0	0	0	0	110.7	Q452	Q452-S464 VanDerWaalsContact O-CB 3.25Å; Q452-S464 WeakPolarHBondContact O-CB 3.5Å; Q452-S464 PolarHBondContact O-N 3.37Å; Q452-S464 PolarHBondContact O-OG 3.33Å
465	G	83.8	Confident	90.9	Very high	92 Å²	92	72 Å²	72	95%	0.948	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-9.3	-174.7	0	0	0	0	0	114.9	L463	L463-G465 PolarHBondContact O-N 2.83Å
466	A	84.8	Confident	90.8	Very high	29 Å²	29	69.6 Å²	69.6	24%	0.24	40%	0.396	C	S	.	.			trans	-95.1	157.6	171.7	0	0	0	0	0	111.9	L463 Y480	L463-A466 HydrophobicContact CB-CB 4.06Å; L463-A466 WeakPolarHBondContact O-CB 3.43Å; L463-A466 PolarHBondContact O-N 3.07Å; A466-Y480 VanDerWaalsContact CB-OH 3.3Å; A466-Y480 WeakPolarHBondContact CB-OH 3.46Å
467	K	83.7	Confident	90.7	Very high	216 Å²	216	68.1 Å²	68.1	94%	0.939	39%	0.386	S	S	*	.			trans	-96.2	-14.1	179.8	-66	-172.9	179.4	-176.5	0	114.5
468	R	90.9	Very high	90.7	Very high	146 Å²	146	65.1 Å²	65.1	55%	0.551	37%	0.371	S	S	*	.			trans	-90.3	137.6	-175.1	-62.4	-179.8	179.3	174.5	0.8	110.3	F470 C479	R468-F470 HydrophobicContact CB-CE2 3.71Å; R468-F470 HydrophobicContact CB-CZ 3.72Å; R468-C479 PolarHBondContact NH1-SG 3.13Å; R468-C479 VanDerWaalsContact NH1-SG 3.36Å
469	S	93.3	Very high	90.9	Very high	51 Å²	51	62.2 Å²	62.2	36%	0.357	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	155.8	167.4	62.7	0	0	0	0	110.5	E460 F461	E460-S469 WeakPolarHBondContact OE2-CB 3.22Å; E460-S469 PolarHBondContact OE2-OG 3.48Å; F461-S469 WeakPolarHBondContact O-CA 3.41Å
470	F	95.1	Very high	90.9	Very high	27 Å²	27	61.9 Å²	61.9	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.8	-176	-58.5	-90	0	0	0	110.6	E460 F461 R468 S472 E475 L476 C479 Y480	E460-F470 CarbonylContact C-O 3.58Å; E460-F470 WeakPolarHBondContact CA-O 3.22Å; F461-F470 PolarHBondContact N-O 3.31Å; F461-F470 PolarHBondContact O-N 2.75Å; R468-F470 HydrophobicContact CB-CE2 3.71Å; R468-F470 HydrophobicContact CB-CZ 3.72Å; F470-S472 VanDerWaalsContact C-N 3.3Å; F470-S472 PolarHBondContact O-N 2.9Å; F470-E475 HydrophobicContact CB-CB 4.22Å; F470-E475 HydrophobicContact CD1-CB 4.14Å; F470-L476 HydrophobicContact CB-CB 4.03Å; F470-L476 HydrophobicContact CD2-CB 3.65Å; F470-L476 HydrophobicContact CD2-CD1 3.91Å; F470-L476 HydrophobicContact CD2-CG 3.74Å; F470-L476 HydrophobicContact CE2-CB 4.24Å; F470-L476 HydrophobicContact CE2-CD1 4.44Å; F470-L476 HydrophobicContact CE2-CG 4.03Å; F470-L476 HydrophobicContact CG-CB 3.81Å; F470-L476 HydrophobicContact CG-CG 4.42Å; F470-C479 HydrophobicContact CE1-CB 3.61Å; F470-C479 HydrophobicContact CZ-CB 3.74Å; F470-Y480 AromaticContact CE2-CE2 3.63Å; F470-Y480 HydrophobicContact CE2-CE2 3.63Å; F470-Y480 AromaticContact CZ-CE2 3.96Å; F470-Y480 HydrophobicContact CZ-CE2 3.96Å
471	G	93.3	Very high	90.4	Very high	55 Å²	55	60.9 Å²	60.9	57%	0.567	34%	0.337	S	S	*	.	S	Bend	trans	-76.3	-18.2	179.2	0	0	0	0	0	113.5	E475	G471-E475 PolarHBondContact N-OE2 3.02Å; G471-E475 VanDerWaalsContact N-OE2 3.15Å
472	S	93.1	Very high	89.4	Confident	30 Å²	30	68.9 Å²	68.9	21%	0.21	37%	0.372	C	S	.	.	S	Bend	trans	-146.6	157.4	177.2	67.4	0	0	0	0	112.9	F470 K474 E475 L476	F470-S472 VanDerWaalsContact C-N 3.3Å; F470-S472 PolarHBondContact O-N 2.9Å; S472-K474 PolarHBondContact O-N 3.02Å; S472-E475 PolarHBondContact O-N 3.17Å; S472-E475 WeakPolarHBondContact OG-CG 3.41Å; S472-E475 PolarHBondContact OG-N 3.42Å; S472-L476 PolarHBondContact O-N 3.07Å; S472-L476 VanDerWaalsContact O-N 3.15Å
473	L	92.1	Very high	88.9	Confident	1 Å²	1	71 Å²	71	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-36.3	170.6	-75.2	170.4	0	0	0	111.9	L424 F434 I453 F461 L476 M477	L424-L473 HydrophobicContact CD2-CB 4.23Å; L424-L473 HydrophobicContact CD2-CD1 4.26Å; L424-L473 HydrophobicContact CD2-CD2 4.47Å; F434-L473 HydrophobicContact CD1-CD1 3.88Å; F434-L473 HydrophobicContact CE1-CD1 3.86Å; F434-L473 HydrophobicContact CG-CD1 4.36Å; F434-L473 HydrophobicContact CZ-CD1 4.35Å; I453-L473 HydrophobicContact CD1-CD2 4.35Å; I453-L473 HydrophobicContact CG2-CD2 3.96Å; F461-L473 HydrophobicContact CD1-CD2 3.53Å; F461-L473 HydrophobicContact CD1-CG 3.7Å; F461-L473 HydrophobicContact CE1-CD1 4.07Å; F461-L473 HydrophobicContact CE1-CD2 3.9Å; F461-L473 HydrophobicContact CE1-CG 3.61Å; F461-L473 HydrophobicContact CG-CD2 4.11Å; F461-L473 HydrophobicContact CG-CG 4.21Å; F461-L473 HydrophobicContact CZ-CG 4.06Å; L473-L476 PolarHBondContact O-N 3.45Å; L473-M477 WeakPolarHBondContact O-CB 3.44Å; L473-M477 VanDerWaalsContact O-CG 3.27Å; L473-M477 WeakPolarHBondContact O-CG 3.36Å; L473-M477 PolarHBondContact O-N 2.86Å
474	K	90	Very high	88.6	Confident	127 Å²	127	74.1 Å²	74.1	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-61.9	-45.6	178.7	-172.9	175.9	-178.1	173.2	0	112.3	S472 M477 H478	S472-K474 PolarHBondContact O-N 3.02Å; K474-M477 PolarHBondContact O-N 3.08Å; K474-H478 WeakPolarHBondContact O-CB 3.47Å; K474-H478 PolarHBondContact O-N 3.19Å
475	E	91.6	Very high	88.5	Confident	106 Å²	106	72.3 Å²	72.3	50%	0.495	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-44.5	175.8	-75.1	168.8	-170	0	0	111.9	F470 G471 S472 M477 H478 C479	F470-E475 HydrophobicContact CB-CB 4.22Å; F470-E475 HydrophobicContact CD1-CB 4.14Å; G471-E475 PolarHBondContact N-OE2 3.02Å; G471-E475 VanDerWaalsContact N-OE2 3.15Å; S472-E475 PolarHBondContact O-N 3.17Å; S472-E475 WeakPolarHBondContact OG-CG 3.41Å; S472-E475 PolarHBondContact OG-N 3.42Å; E475-M477 VanDerWaalsContact C-N 3.35Å; E475-M477 PolarHBondContact O-N 2.92Å; E475-H478 PolarHBondContact O-N 3.33Å; E475-C479 WeakPolarHBondContact O-CB 3.4Å; E475-C479 PolarHBondContact O-N 2.99Å
476	L	93.3	Very high	88.6	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-56.8	-50	175.8	-177	155.6	0	0	0	110.7	I453 F461 L463 F470 S472 L473 C479 Y480	I453-L476 HydrophobicContact CD1-CD2 4.03Å; I453-L476 HydrophobicContact CG2-CD1 3.9Å; F461-L476 HydrophobicContact CB-CD1 3.89Å; L463-L476 HydrophobicContact CB-CD1 4.46Å; F470-L476 HydrophobicContact CB-CB 4.03Å; F470-L476 HydrophobicContact CD2-CB 3.65Å; F470-L476 HydrophobicContact CD2-CD1 3.91Å; F470-L476 HydrophobicContact CD2-CG 3.74Å; F470-L476 HydrophobicContact CE2-CB 4.24Å; F470-L476 HydrophobicContact CE2-CD1 4.44Å; F470-L476 HydrophobicContact CE2-CG 4.03Å; F470-L476 HydrophobicContact CG-CB 3.81Å; F470-L476 HydrophobicContact CG-CG 4.42Å; S472-L476 PolarHBondContact O-N 3.07Å; S472-L476 VanDerWaalsContact O-N 3.15Å; L473-L476 PolarHBondContact O-N 3.45Å; L476-C479 WeakPolarHBondContact O-CB 3.48Å; L476-C479 PolarHBondContact O-N 3.34Å; L476-Y480 HydrophobicContact CD2-CD2 3.86Å; L476-Y480 HydrophobicContact CD2-CE2 4.26Å; L476-Y480 HydrophobicContact CG-CD2 4.03Å; L476-Y480 HydrophobicContact CG-CE2 4.01Å; L476-Y480 WeakPolarHBondContact O-CD2 3.37Å; L476-Y480 PolarHBondContact O-N 3.46Å
477	M	90.9	Very high	88.5	Confident	12 Å²	12	77.2 Å²	77.2	6%	0.059	38%	0.38	C	S	.	.	H	α-helix	trans	-65.4	-42.1	-178.9	-69	-49.1	-46.8	0	0	111.7	Y422 L424 M436 L473 K474 E475 C479 Y480 Q481 L494	Y422-M477 HydrophobicContact CD2-CE 3.95Å; Y422-M477 HydrophobicContact CE1-CE 4.41Å; Y422-M477 HydrophobicContact CE2-CE 3.25Å; Y422-M477 HydrophobicContact CE2-SD 4.39Å; L424-M477 HydrophobicContact CD1-SD 4.41Å; L424-M477 HydrophobicContact CD2-CG 4.13Å; M436-M477 HydrophobicContact SD-CE 3.8Å; M436-M477 HydrophobicContact SD-SD 4.21Å; L473-M477 WeakPolarHBondContact O-CB 3.44Å; L473-M477 VanDerWaalsContact O-CG 3.27Å; L473-M477 WeakPolarHBondContact O-CG 3.36Å; L473-M477 PolarHBondContact O-N 2.86Å; K474-M477 PolarHBondContact O-N 3.08Å; E475-M477 VanDerWaalsContact C-N 3.35Å; E475-M477 PolarHBondContact O-N 2.92Å; M477-C479 VanDerWaalsContact C-N 3.29Å; M477-C479 PolarHBondContact O-N 3.23Å; M477-Y480 PolarHBondContact O-N 3.15Å; M477-Q481 VanDerWaalsContact O-CB 3.25Å; M477-Q481 WeakPolarHBondContact O-CB 3.42Å; M477-Q481 PolarHBondContact O-N 2.96Å; M477-L494 HydrophobicContact CE-CD1 3.74Å
478	H	87.9	Confident	88.3	Confident	145 Å²	145	72.7 Å²	72.7	67%	0.671	37%	0.366	S	S	*	.	H	α-helix	trans	-60.4	-39.3	177.9	-171.3	67.1	0	0	0	112.4	K474 E475	K474-H478 WeakPolarHBondContact O-CB 3.47Å; K474-H478 PolarHBondContact O-N 3.19Å; E475-H478 PolarHBondContact O-N 3.33Å
479	C	89.8	Confident	87.7	Confident	33 Å²	33	68.4 Å²	68.4	22%	0.223	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-45.8	176.6	-173.5	0	0	0	0	112	R468 F470 E475 L476 M477 E483	R468-C479 PolarHBondContact NH1-SG 3.13Å; R468-C479 VanDerWaalsContact NH1-SG 3.36Å; F470-C479 HydrophobicContact CE1-CB 3.61Å; F470-C479 HydrophobicContact CZ-CB 3.74Å; E475-C479 WeakPolarHBondContact O-CB 3.4Å; E475-C479 PolarHBondContact O-N 2.99Å; L476-C479 WeakPolarHBondContact O-CB 3.48Å; L476-C479 PolarHBondContact O-N 3.34Å; M477-C479 VanDerWaalsContact C-N 3.29Å; M477-C479 PolarHBondContact O-N 3.23Å; C479-E483 WeakPolarHBondContact O-CG 3.37Å
480	Y	89.1	Confident	87.2	Confident	20 Å²	20	70.4 Å²	70.4	8%	0.078	37%	0.368	C	S	.	.	H	α-helix	trans	-90.6	-9.8	-175.3	-64.7	-60.4	0	0	0	114.9	L463 A466 F470 L476 M477 K482 E483 L485	L463-Y480 HydrophobicContact CB-CE2 4.17Å; L463-Y480 HydrophobicContact CD2-CD2 4.14Å; L463-Y480 HydrophobicContact CD2-CE2 4.11Å; L463-Y480 HydrophobicContact CD2-CG 4.49Å; A466-Y480 VanDerWaalsContact CB-OH 3.3Å; A466-Y480 WeakPolarHBondContact CB-OH 3.46Å; F470-Y480 AromaticContact CE2-CE2 3.63Å; F470-Y480 HydrophobicContact CE2-CE2 3.63Å; F470-Y480 AromaticContact CZ-CE2 3.96Å; F470-Y480 HydrophobicContact CZ-CE2 3.96Å; L476-Y480 HydrophobicContact CD2-CD2 3.86Å; L476-Y480 HydrophobicContact CD2-CE2 4.26Å; L476-Y480 HydrophobicContact CG-CD2 4.03Å; L476-Y480 HydrophobicContact CG-CE2 4.01Å; L476-Y480 WeakPolarHBondContact O-CD2 3.37Å; L476-Y480 PolarHBondContact O-N 3.46Å; M477-Y480 PolarHBondContact O-N 3.15Å; Y480-K482 PolarHBondContact O-N 2.78Å; Y480-K482 VanDerWaalsContact O-N 3.12Å; Y480-E483 PolarHBondContact O-N 3.31Å; Y480-L485 HydrophobicContact CD1-CD2 3.94Å; Y480-L485 HydrophobicContact CG-CD2 4.49Å
481	Q	83.4	Confident	86.8	Confident	56 Å²	56	73.9 Å²	73.9	26%	0.262	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.6	-176.7	-169.9	176.1	8.1	0	0	113.5	M477 L494 I495	M477-Q481 VanDerWaalsContact O-CB 3.25Å; M477-Q481 WeakPolarHBondContact O-CB 3.42Å; M477-Q481 PolarHBondContact O-N 2.96Å; Q481-L494 CarbonylContact O-C 3.54Å; Q481-I495 PolarHBondContact NE2-O 3.42Å
482	K	72.8	Confident	86.4	Confident	170 Å²	170	72.4 Å²	72.4	74%	0.739	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	2.4	179.4	-64.4	-176.2	-178.7	179.1	0	113.5	Y480 Q493	Y480-K482 PolarHBondContact O-N 2.78Å; Y480-K482 VanDerWaalsContact O-N 3.12Å; K482-Q493 PolarHBondContact O-NE2 3.1Å
483	E	85.7	Confident	86.2	Confident	100 Å²	100	75.7 Å²	75.7	47%	0.467	38%	0.382	S	S	.	.	S	Bend	trans	-89.4	148.2	-177.1	-66.6	-71.4	176.7	0	0	111.3	C479 Y480 L485	C479-E483 WeakPolarHBondContact O-CG 3.37Å; Y480-E483 PolarHBondContact O-N 3.31Å; E483-L485 PolarHBondContact O-N 3.01Å
484	A	86	Confident	86	Confident	78 Å²	78	75.7 Å²	75.7	65%	0.645	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	107.2	171.2	0	0	0	0	0	109.3	T491	A484-T491 HydrophobicContact CB-CG2 4.31Å
485	L	87.3	Confident	85.8	Confident	23 Å²	23	74.4 Å²	74.4	12%	0.12	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	153.1	179.6	-62.1	178.2	0	0	0	110.7	M436 Y480 E483 T491 F492 L494	M436-L485 HydrophobicContact CE-CD1 4.04Å; Y480-L485 HydrophobicContact CD1-CD2 3.94Å; Y480-L485 HydrophobicContact CG-CD2 4.49Å; E483-L485 PolarHBondContact O-N 3.01Å; L485-T491 CarbonylContact O-C 3.54Å; L485-T491 VanDerWaalsContact O-CA 3.31Å; L485-T491 WeakPolarHBondContact O-CA 3.34Å; L485-F492 HydrophobicContact CB-CD1 4.16Å; L485-F492 HydrophobicContact CB-CD2 4.31Å; L485-F492 HydrophobicContact CB-CE1 3.6Å; L485-F492 HydrophobicContact CB-CE2 3.8Å; L485-F492 HydrophobicContact CB-CG 4.48Å; L485-F492 HydrophobicContact CB-CZ 3.4Å; L485-F492 HydrophobicContact CD1-CE2 3.72Å; L485-F492 HydrophobicContact CD1-CZ 3.77Å; L485-F492 HydrophobicContact CG-CE2 4.36Å; L485-F492 HydrophobicContact CG-CZ 4.25Å; L485-F492 PolarHBondContact N-O 3.49Å; L485-F492 WeakPolarHBondContact O-CD1 3.18Å; L485-F492 PolarHBondContact O-N 2.79Å; L485-L494 HydrophobicContact CD1-CD1 3.82Å; L485-L494 HydrophobicContact CD1-CG 4.08Å
486	R	86.3	Confident	85.5	Confident	194 Å²	194	74.8 Å²	74.8	73%	0.732	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.8	178.1	-163.6	179.2	-174.3	-175.8	-0.3	111.2	Y490	R486-Y490 CarbonylContact C-O 3.59Å; R486-Y490 VanDerWaalsContact CA-O 3.24Å; R486-Y490 WeakPolarHBondContact CA-O 3.49Å; R486-Y490 WeakPolarHBondContact CG-O 3.1Å
487	T	83.8	Confident	85.4	Confident	31 Å²	31	75 Å²	75	19%	0.19	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.3	172.7	-164	0	0	0	0	109.7	F438 K449 G489 Y490 F492	F438-T487 HydrophobicContact CE2-CG2 4.16Å; F438-T487 HydrophobicContact CZ-CG2 3.79Å; K449-T487 HydrophobicContact CB-CG2 4.25Å; K449-T487 HydrophobicContact CG-CG2 4.16Å; T487-G489 PolarHBondContact O-N 2.89Å; T487-Y490 PolarHBondContact N-O 2.99Å; T487-Y490 WeakPolarHBondContact O-CA 3.32Å; T487-Y490 WeakPolarHBondContact O-CB 3.49Å; T487-Y490 PolarHBondContact O-N 3.02Å; T487-F492 HydrophobicContact CG2-CD1 4.33Å; T487-F492 HydrophobicContact CG2-CE1 3.8Å
488	D	78.6	Confident	85.4	Confident	121 Å²	121	74.5 Å²	74.5	65%	0.647	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	37.7	175	-55.5	-25.8	0	0	0	115	K449 Y490	K449-D488 IonicContact NZ-OD2 3.64Å; D488-Y490 VanDerWaalsContact C-N 3.28Å; D488-Y490 HydrophobicContact CB-CD2 4.48Å; D488-Y490 WeakPolarHBondContact O-CD2 3.41Å; D488-Y490 PolarHBondContact O-N 2.66Å
489	G	78.6	Confident	85.6	Confident	56 Å²	56	68.3 Å²	68.3	58%	0.577	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-10.5	-178.3	0	0	0	0	0	115.7	T487	T487-G489 PolarHBondContact O-N 2.89Å
490	Y	82.3	Confident	85.6	Confident	92 Å²	92	68.3 Å²	68.3	36%	0.361	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.5	174	-63.6	-85.3	0	0	0	111.3	V440 R486 T487 D488	V440-Y490 HydrophobicContact CB-CD1 4.16Å; V440-Y490 HydrophobicContact CB-CG 4.21Å; V440-Y490 HydrophobicContact CG2-CD1 4.32Å; V440-Y490 HydrophobicContact CG2-CD2 4.28Å; V440-Y490 HydrophobicContact CG2-CE1 4.45Å; V440-Y490 HydrophobicContact CG2-CE2 4.41Å; V440-Y490 HydrophobicContact CG2-CG 4.23Å; R486-Y490 CarbonylContact C-O 3.59Å; R486-Y490 VanDerWaalsContact CA-O 3.24Å; R486-Y490 WeakPolarHBondContact CA-O 3.49Å; R486-Y490 WeakPolarHBondContact CG-O 3.1Å; T487-Y490 PolarHBondContact N-O 2.99Å; T487-Y490 WeakPolarHBondContact O-CA 3.32Å; T487-Y490 WeakPolarHBondContact O-CB 3.49Å; T487-Y490 PolarHBondContact O-N 3.02Å; D488-Y490 VanDerWaalsContact C-N 3.28Å; D488-Y490 HydrophobicContact CB-CD2 4.48Å; D488-Y490 WeakPolarHBondContact O-CD2 3.41Å; D488-Y490 PolarHBondContact O-N 2.66Å
491	T	86.3	Confident	85.4	Confident	101 Å²	101	69.8 Å²	69.8	62%	0.62	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.2	165.9	-61.6	0	0	0	0	108.6	A484 L485	A484-T491 HydrophobicContact CB-CG2 4.31Å; L485-T491 CarbonylContact O-C 3.54Å; L485-T491 VanDerWaalsContact O-CA 3.31Å; L485-T491 WeakPolarHBondContact O-CA 3.34Å
492	F	85.5	Confident	85.1	Confident	24 Å²	24	70 Å²	70	11%	0.105	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.7	-178.2	67.9	-80.2	0	0	0	110.4	M436 F438 L485 T487 L494	M436-F492 HydrophobicContact CE-CZ 4.5Å; F438-F492 HydrophobicContact CD1-CE2 4.12Å; F438-F492 HydrophobicContact CD1-CZ 4.41Å; F438-F492 HydrophobicContact CD2-CD1 4.49Å; F438-F492 AromaticContact CD2-CD2 3.76Å; F438-F492 HydrophobicContact CD2-CD2 3.76Å; F438-F492 AromaticContact CD2-CE2 3.84Å; F438-F492 HydrophobicContact CD2-CE2 3.84Å; F438-F492 HydrophobicContact CD2-CG 4.11Å; F438-F492 HydrophobicContact CD2-CZ 4.25Å; F438-F492 HydrophobicContact CE1-CE1 4.4Å; F438-F492 AromaticContact CE1-CE2 3.84Å; F438-F492 HydrophobicContact CE1-CE2 3.84Å; F438-F492 AromaticContact CE1-CZ 3.67Å; F438-F492 HydrophobicContact CE1-CZ 3.67Å; F438-F492 AromaticContact CE2-CD1 3.63Å; F438-F492 HydrophobicContact CE2-CD1 3.63Å; F438-F492 AromaticContact CE2-CD2 3.62Å; F438-F492 HydrophobicContact CE2-CD2 3.62Å; F438-F492 AromaticContact CE2-CE1 3.52Å; F438-F492 HydrophobicContact CE2-CE1 3.52Å; F438-F492 AromaticContact CE2-CE2 3.5Å; F438-F492 HydrophobicContact CE2-CE2 3.5Å; F438-F492 VanDerWaalsContact CE2-CE2 3.5Å; F438-F492 AromaticContact CE2-CG 3.69Å; F438-F492 HydrophobicContact CE2-CG 3.69Å; F438-F492 AromaticContact CE2-CZ 3.45Å; F438-F492 HydrophobicContact CE2-CZ 3.45Å; F438-F492 VanDerWaalsContact CE2-CZ 3.45Å; F438-F492 HydrophobicContact CG-CD2 4.36Å; F438-F492 HydrophobicContact CG-CE2 4.13Å; F438-F492 HydrophobicContact CZ-CD1 4.05Å; F438-F492 HydrophobicContact CZ-CD2 4.13Å; F438-F492 AromaticContact CZ-CE1 3.42Å; F438-F492 HydrophobicContact CZ-CE1 3.42Å; F438-F492 VanDerWaalsContact CZ-CE1 3.42Å; F438-F492 AromaticContact CZ-CE2 3.5Å; F438-F492 HydrophobicContact CZ-CE2 3.5Å; F438-F492 HydrophobicContact CZ-CG 4.38Å; F438-F492 AromaticContact CZ-CZ 3.1Å; F438-F492 HydrophobicContact CZ-CZ 3.1Å; L485-F492 HydrophobicContact CB-CD1 4.16Å; L485-F492 HydrophobicContact CB-CD2 4.31Å; L485-F492 HydrophobicContact CB-CE1 3.6Å; L485-F492 HydrophobicContact CB-CE2 3.8Å; L485-F492 HydrophobicContact CB-CG 4.48Å; L485-F492 HydrophobicContact CB-CZ 3.4Å; L485-F492 HydrophobicContact CD1-CE2 3.72Å; L485-F492 HydrophobicContact CD1-CZ 3.77Å; L485-F492 HydrophobicContact CG-CE2 4.36Å; L485-F492 HydrophobicContact CG-CZ 4.25Å; L485-F492 PolarHBondContact N-O 3.49Å; L485-F492 WeakPolarHBondContact O-CD1 3.18Å; L485-F492 PolarHBondContact O-N 2.79Å; T487-F492 HydrophobicContact CG2-CD1 4.33Å; T487-F492 HydrophobicContact CG2-CE1 3.8Å; F492-L494 HydrophobicContact CD2-CD2 4.28Å; F492-L494 HydrophobicContact CE2-CD2 3.89Å; F492-L494 HydrophobicContact CE2-CG 4.28Å
493	Q	88.4	Confident	85.1	Confident	98 Å²	98	67.1 Å²	67.1	46%	0.458	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.3	173.3	-167.5	178.2	21.2	0	0	107.6	G420 K482	G420-Q493 WeakPolarHBondContact CA-O 3.46Å; K482-Q493 PolarHBondContact O-NE2 3.1Å
494	L	88.1	Confident	84.9	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	33%	0.334	C	S	.	.			trans	-72.9	139.3	170.9	-58.8	170.5	0	0	0	107.5	Y422 M436 M477 Q481 L485 F492	Y422-L494 HydrophobicContact CD1-CB 3.97Å; Y422-L494 HydrophobicContact CD1-CD2 3.75Å; Y422-L494 HydrophobicContact CD1-CG 4.37Å; Y422-L494 HydrophobicContact CE1-CB 3.99Å; Y422-L494 HydrophobicContact CE1-CD2 4.45Å; Y422-L494 HydrophobicContact CG-CD2 3.81Å; M436-L494 HydrophobicContact CE-CD1 4.19Å; M436-L494 HydrophobicContact CE-CD2 4.39Å; M436-L494 HydrophobicContact CG-CD2 4.43Å; M436-L494 HydrophobicContact SD-CD1 3.44Å; M436-L494 WeakPolarHBondContact SD-CD1 3.18Å; M436-L494 HydrophobicContact SD-CD2 3.8Å; M436-L494 HydrophobicContact SD-CG 4.24Å; M477-L494 HydrophobicContact CE-CD1 3.74Å; Q481-L494 CarbonylContact O-C 3.54Å; L485-L494 HydrophobicContact CD1-CD1 3.82Å; L485-L494 HydrophobicContact CD1-CG 4.08Å; F492-L494 HydrophobicContact CD2-CD2 4.28Å; F492-L494 HydrophobicContact CE2-CD2 3.89Å; F492-L494 HydrophobicContact CE2-CG 4.28Å
495	I	85.6	Confident	85	Confident	100 Å²	100	62.8 Å²	62.8	51%	0.513	32%	0.316	S	S	.	.			trans	-125.8	-55.6	-179.5	-61.7	177	0	0	0	108.7	G420 Q481	G420-I495 PolarHBondContact O-N 3.45Å; Q481-I495 PolarHBondContact NE2-O 3.42Å
496	R	86.6	Confident	85.2	Confident	113 Å²	113	62 Å²	62	43%	0.426	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.1	-172.6	-179.3	-176.5	-71	156.8	1.1	111.3	G420 L421 Y422 E788	G420-R496 PolarHBondContact O-N 2.98Å; G420-R496 VanDerWaalsContact O-N 3.17Å; L421-R496 WeakPolarHBondContact CA-O 3.39Å; L421-R496 HydrophobicContact CD2-CB 3.96Å; L421-R496 HydrophobicContact CD2-CG 4.26Å; Y422-R496 VanDerWaalsContact CD1-O 3.29Å; Y422-R496 WeakPolarHBondContact CD1-O 3.47Å; Y422-R496 VanDerWaalsContact CE1-C 3.46Å; Y422-R496 PolarHBondContact N-O 3.4Å; Y422-R496 VanDerWaalsContact N-O 3.14Å; R496-E788 WeakPolarHBondContact CD-OE1 3.39Å; R496-E788 IonicContact CZ-OE1 3.82Å; R496-E788 IonicContact CZ-OE2 3.91Å; R496-E788 IonicContact NE-OE1 2.72Å; R496-E788 PolarHBondContact NE-OE1 2.85Å; R496-E788 VanDerWaalsContact NE-OE1 3.15Å; R496-E788 IonicContact NE-OE2 2.63Å; R496-E788 PolarHBondContact NE-OE2 2.75Å; R496-E788 IonicContact NH2-OE2 3.13Å
497	C	90.2	Very high	85.6	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139.7	172.1	-164.9	0	0	0	0	109.9	Y422 P499	Y422-C497 HydrophobicContact CE1-CB 4.05Å; Y422-C497 HydrophobicContact CE2-CB 3.79Å; Y422-C497 VanDerWaalsContact CE2-SG 3.59Å; Y422-C497 VanDerWaalsContact CZ-CB 3.5Å; Y422-C497 WeakPolarHBondContact O-CA 3.45Å; Y422-C497 WeakPolarHBondContact OH-CB 3.33Å; C497-P499 WeakPolarHBondContact O-CD 3.47Å
498	C	91.5	Very high	86.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	28%	0.276	C	S	.	.			trans	-99.2	102.6	168.1	-52.5	0	0	0	0	108.2	H400 L415 Y422 I423	H400-C498 PolarHBondContact CE1-O 3.05Å; L415-C498 HydrophobicContact CD1-CB 3.79Å; L415-C498 WeakPolarHBondContact CD1-SG 3.43Å; Y422-C498 PolarHBondContact O-N 3.07Å; I423-C498 HydrophobicContact CD1-CB 4.5Å; I423-C498 HydrophobicContact CG1-CB 3.77Å
499	P	91	Very high	86.9	Confident	15 Å²	15	47 Å²	47	10%	0.097	25%	0.246	C	C	.	.			trans	-76.7	162.7	-176.3	31.6	-36.4	0	0	0	112.4	Y398 H400 K411 C497 L790	Y398-P499 HydrophobicContact CD1-CB 3.78Å; Y398-P499 HydrophobicContact CG-CB 4.22Å; H400-P499 VanDerWaalsContact CE1-C 3.47Å; K411-P499 PolarHBondContact NZ-O 2.73Å; C497-P499 WeakPolarHBondContact O-CD 3.47Å; P499-L790 HydrophobicContact CG-CB 3.97Å; P499-L790 VanDerWaalsContact CG-O 3.28Å; P499-L790 WeakPolarHBondContact CG-O 3.44Å
500	P	91.4	Very high	87.6	Confident	33 Å²	33	44.5 Å²	44.5	21%	0.214	22%	0.219	C	C	.	.			trans	-55.8	142.6	168.6	-20.6	31.1	0	0	0	111.6	H379 Y398 H400	H379-P500 HydrophobicContact CB-CB 3.73Å; H379-P500 HydrophobicContact CB-CG 4.24Å; Y398-P500 WeakPolarHBondContact O-CD 3.37Å; H400-P500 HydrophobicContact CB-CG 4.47Å; H400-P500 VanDerWaalsContact CE1-N 3.29Å; H400-P500 WeakPolarHBondContact NE2-CA 3.45Å
501	S	84.8	Confident	87.9	Confident	52 Å²	52	41.2 Å²	41.2	36%	0.364	21%	0.21	S	C	.	.			trans	-125.3	147.6	177.4	75.7	0	0	0	0	111.7	K503 D504	S501-K503 PolarHBondContact O-N 2.92Å; S501-K503 VanDerWaalsContact O-N 3.09Å; S501-D504 WeakPolarHBondContact CB-OD2 3.3Å; S501-D504 PolarHBondContact N-OD2 3.44Å; S501-D504 WeakPolarHBondContact O-CB 3.14Å; S501-D504 PolarHBondContact O-N 3.47Å; S501-D504 PolarHBondContact OG-OD1 2.95Å; S501-D504 PolarHBondContact OG-OD2 3.4Å
502	Q	75.9	Confident	88	Confident	59 Å²	59	37 Å²	37	28%	0.276	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.8	-174.5	-176.1	-179	-14.2	0	0	114	D377 S794	D377-Q502 WeakPolarHBondContact OD2-CA 3.25Å; Q502-S794 PolarHBondContact OE1-OG 3.1Å
503	K	73.6	Confident	86.9	Confident	111 Å²	111	40.1 Å²	40.1	48%	0.483	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.5	180	-63.2	-172.7	179	-176.6	0	112.9	S501 K505 S665	S501-K503 PolarHBondContact O-N 2.92Å; S501-K503 VanDerWaalsContact O-N 3.09Å; K503-K505 PolarHBondContact O-N 3.05Å; K503-S665 PolarHBondContact NZ-OG 3.06Å
504	D	81.3	Confident	85.1	Confident	22 Å²	22	40.2 Å²	40.2	12%	0.118	20%	0.204	C	C	.	.			trans	-72.9	115.8	178.5	-79	-42.1	0	0	0	111.5	K411 R414 S501	K411-D504 IonicContact NZ-OD2 3.15Å; K411-D504 PolarHBondContact NZ-OD2 3.05Å; R414-D504 IonicContact NH2-OD1 2.85Å; R414-D504 PolarHBondContact NH2-OD1 3.49Å; S501-D504 WeakPolarHBondContact CB-OD2 3.3Å; S501-D504 PolarHBondContact N-OD2 3.44Å; S501-D504 WeakPolarHBondContact O-CB 3.14Å; S501-D504 PolarHBondContact O-N 3.47Å; S501-D504 PolarHBondContact OG-OD1 2.95Å; S501-D504 PolarHBondContact OG-OD2 3.4Å
505	K	87.6	Confident	83	Confident	64 Å²	64	43.3 Å²	43.3	28%	0.278	22%	0.218	S	C	.	.			trans	-82	137.5	165.1	-55.7	-59.7	-174.1	170.6	0	109.4	Y142 F407 K503 L509	Y142-K505 HydrophobicContact CD1-CB 4.05Å; Y142-K505 HydrophobicContact CD1-CD 4.34Å; Y142-K505 HydrophobicContact CD1-CG 4.24Å; Y142-K505 HydrophobicContact CD2-CD 4.43Å; Y142-K505 HydrophobicContact CE1-CB 4.44Å; Y142-K505 HydrophobicContact CE1-CD 3.9Å; Y142-K505 HydrophobicContact CE1-CG 4.12Å; Y142-K505 HydrophobicContact CE2-CD 4.03Å; Y142-K505 HydrophobicContact CG-CB 4.13Å; Y142-K505 PolarHBondContact OH-NZ 3.44Å; F407-K505 WeakPolarHBondContact CD1-O 3.3Å; F407-K505 WeakPolarHBondContact CE1-O 3.25Å; K503-K505 PolarHBondContact O-N 3.05Å; K505-L509 HydrophobicContact CD-CD1 4Å
506	S	92.1	Very high	80.6	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.042	21%	0.206	C	C	.	.			trans	-152.1	170.6	177.9	68.8	0	0	0	0	111.1	L508 L509	S506-L508 PolarHBondContact O-N 3.27Å; S506-L508 WeakPolarHBondContact OG-CB 3.47Å; S506-L508 PolarHBondContact OG-N 2.9Å; S506-L509 PolarHBondContact O-N 3.46Å
507	N	93.8	Very high	77.9	Confident	15 Å²	15	38.3 Å²	38.3	8%	0.08	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-11.2	172.8	63.2	-68	0	0	0	114	R141 P402 V403 S404 F407	R141-N507 VanDerWaalsContact CD-O 3.23Å; R141-N507 WeakPolarHBondContact CD-O 3.34Å; R141-N507 WeakPolarHBondContact CG-O 3.48Å; R141-N507 PolarHBondContact NH1-O 3.2Å; P402-N507 PolarHBondContact O-ND2 3.3Å; V403-N507 WeakPolarHBondContact CA-OD1 3.48Å; S404-N507 PolarHBondContact N-OD1 3.49Å; F407-N507 HydrophobicContact CD2-CB 4.33Å; F407-N507 HydrophobicContact CE2-CB 4.05Å
508	L	95	Very high	75.1	Confident	16 Å²	16	43.3 Å²	43.3	8%	0.084	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-28.2	175.6	-54.9	-175.7	0	0	0	112.7	V87 R141 A378 P402 V403 S506	V87-L508 HydrophobicContact CG1-CD2 4.47Å; R141-L508 PolarHBondContact NH1-O 3.31Å; A378-L508 HydrophobicContact CB-CB 3.74Å; A378-L508 HydrophobicContact CB-CD1 4Å; P402-L508 HydrophobicContact CB-CD2 4.45Å; P402-L508 HydrophobicContact CG-CD2 3.76Å; V403-L508 HydrophobicContact CG2-CD1 3.67Å; V403-L508 HydrophobicContact CG2-CG 4.17Å; S506-L508 PolarHBondContact O-N 3.27Å; S506-L508 WeakPolarHBondContact OG-CB 3.47Å; S506-L508 PolarHBondContact OG-N 2.9Å
509	L	95.4	Very high	72.2	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	-89.6	145.2	-179.7	-63.7	-177.3	0	0	0	111.4	R141 Y142 R373 L374 A378 K505 S506	R141-L509 VanDerWaalsContact CA-O 3.28Å; R141-L509 WeakPolarHBondContact CA-O 3.48Å; Y142-L509 HydrophobicContact CD2-CB 3.62Å; Y142-L509 WeakPolarHBondContact CD2-O 3.31Å; Y142-L509 HydrophobicContact CE2-CB 3.84Å; Y142-L509 PolarHBondContact N-O 2.83Å; R373-L509 VanDerWaalsContact O-CD2 3.25Å; R373-L509 WeakPolarHBondContact O-CD2 3.35Å; L374-L509 CarbonylContact O-C 3.6Å; L374-L509 WeakPolarHBondContact O-CA 3.34Å; A378-L509 HydrophobicContact CB-CD2 4.02Å; K505-L509 HydrophobicContact CD-CD1 4Å; S506-L509 PolarHBondContact O-N 3.46Å
510	V	93.8	Very high	69.1	Low	2 Å²	2	49.5 Å²	49.5	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.9	176.1	-179.6	0	0	0	0	108.8	F127 A139 H140 R141 V152 L374	F127-V510 HydrophobicContact CD1-CG1 3.99Å; F127-V510 HydrophobicContact CD2-CB 4.43Å; F127-V510 HydrophobicContact CD2-CG1 4.02Å; F127-V510 HydrophobicContact CD2-CG2 4.16Å; F127-V510 HydrophobicContact CE1-CB 4.37Å; F127-V510 HydrophobicContact CE1-CG1 4.16Å; F127-V510 HydrophobicContact CE2-CB 4.11Å; F127-V510 HydrophobicContact CE2-CG1 4.17Å; F127-V510 HydrophobicContact CE2-CG2 3.79Å; F127-V510 HydrophobicContact CG-CG1 3.9Å; F127-V510 HydrophobicContact CZ-CB 4.07Å; F127-V510 HydrophobicContact CZ-CG1 4.24Å; F127-V510 HydrophobicContact CZ-CG2 4.21Å; A139-V510 HydrophobicContact CB-CG1 4.18Å; H140-V510 CarbonylContact O-C 3.59Å; H140-V510 VanDerWaalsContact O-CA 3.32Å; H140-V510 WeakPolarHBondContact O-CA 3.34Å; R141-V510 HydrophobicContact CG-CG2 4.21Å; V152-V510 HydrophobicContact CG1-CG2 4.19Å; V152-V510 HydrophobicContact CG2-CG1 3.91Å; V152-V510 HydrophobicContact CG2-CG2 4.47Å; L374-V510 PolarHBondContact O-N 3.42Å
511	C	88.8	Confident	66	Low	24 Å²	24	53 Å²	53	16%	0.162	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	142.3	169.4	-172.7	0	0	0	0	110.3	A139 H140 Y142	A139-C511 WeakPolarHBondContact CA-O 3.48Å; H140-C511 PolarHBondContact N-O 3.08Å; H140-C511 VanDerWaalsContact NE2-CB 3.33Å; H140-C511 WeakPolarHBondContact NE2-CB 3.22Å; H140-C511 PolarHBondContact O-N 2.93Å; Y142-C511 HydrophobicContact CD2-CB 4.25Å; Y142-C511 HydrophobicContact CE1-CB 4.16Å; Y142-C511 HydrophobicContact CE2-CB 3.81Å
512	R	87	Confident	63.1	Low	13 Å²	13	55.1 Å²	55.1	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.2	179.4	-58.7	174	-66.5	163.3	7.3	107.8	F127 G294 D318 N514 Q515	F127-R512 HydrophobicContact CD1-CG 4.39Å; G294-R512 WeakPolarHBondContact O-CD 3.3Å; G294-R512 PolarHBondContact O-NH1 2.97Å; D318-R512 IonicContact OD1-CZ 3.86Å; D318-R512 IonicContact OD1-NH1 3.05Å; D318-R512 PolarHBondContact OD1-NH1 3.11Å; D318-R512 IonicContact OD1-NH2 3.88Å; D318-R512 PolarHBondContact OD1-NH2 3.35Å; D318-R512 IonicContact OD2-CZ 3.88Å; D318-R512 IonicContact OD2-NH1 3.15Å; D318-R512 IonicContact OD2-NH2 3.92Å; D318-R512 PolarHBondContact OD2-NH2 3.17Å; R512-N514 PolarHBondContact O-N 3.24Å; R512-Q515 PolarHBondContact O-N 3.21Å
513	N	64.2	Low	60.7	Low	88 Å²	88	57.9 Å²	57.9	47%	0.471	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-4.6	-175.2	-95.5	5.2	0	0	0	116.3	Y138 Q515	Y138-N513 PolarHBondContact O-N 2.84Å; N513-Q515 VanDerWaalsContact C-N 3.28Å
514	N	49	Very low	58.7	Low	101 Å²	101	57.4 Å²	57.4	54%	0.54	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.4	171.3	-76.2	-3.5	0	0	0	113.5	R512	R512-N514 PolarHBondContact O-N 3.24Å
515	Q	44.5	Very low	56.2	Low	66 Å²	66	64.4 Å²	64.4	31%	0.308	38%	0.379	S	S	.	.	S	Bend	trans	-99.9	134.8	176.7	-70.6	-173.2	-26.2	0	0	110.6	D318 R512 N513 T517	D318-Q515 PolarHBondContact OD2-NE2 3.42Å; R512-Q515 PolarHBondContact O-N 3.21Å; N513-Q515 VanDerWaalsContact C-N 3.28Å; Q515-T517 PolarHBondContact O-N 3.47Å
516	S	34.7	Very low	53.6	Low	38 Å²	38	68.9 Å²	68.9	27%	0.266	40%	0.401	S	S	.	.			trans	-45	128.7	164.5	34.2	0	0	0	0	108.8	D518 E904	S516-D518 VanDerWaalsContact C-N 3.31Å; S516-D518 PolarHBondContact O-N 3.31Å; S516-E904 PolarHBondContact OG-OE2 2.96Å
517	T	29.7	Very low	51.2	Low	70 Å²	70	74.8 Å²	74.8	43%	0.429	43%	0.426	S	S	.	.			trans	-56.4	94.6	174.1	30.5	0	0	0	0	109	Q515 V519 R1123	Q515-T517 PolarHBondContact O-N 3.47Å; T517-V519 PolarHBondContact O-N 2.95Å; T517-R1123 PolarHBondContact OG1-NH2 3.31Å
518	D	32.8	Very low	48.5	Very low	112 Å²	112	80.2 Å²	80.2	60%	0.599	45%	0.45	S	S	*	.			trans	-66.6	91	165.2	-87.1	-22.5	0	0	0	106.7	S516	S516-D518 VanDerWaalsContact C-N 3.31Å; S516-D518 PolarHBondContact O-N 3.31Å
519	V	29.7	Very low	46.1	Very low	55 Å²	55	82.1 Å²	82.1	33%	0.333	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-55.9	134.8	172.8	-173.4	0	0	0	0	107.4	T517	T517-V519 PolarHBondContact O-N 2.95Å
520	P	26.7	Very low	43.6	Very low	90 Å²	90	88.1 Å²	88.1	58%	0.584	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-54.4	136.9	168.9	22.7	-31.2	0	0	0	108.4	S522	P520-S522 PolarHBondContact O-N 2.95Å
521	P	25.8	Very low	41.8	Very low	108 Å²	108	92.4 Å²	92.4	70%	0.701	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-55.2	120	174.6	22.3	-30.4	0	0	0	107.4
522	S	23.6	Very low	41	Very low	95 Å²	95	93.8 Å²	93.8	66%	0.664	52%	0.517	S	S	*	.			trans	-45.5	142.1	165.5	-40.5	0	0	0	0	107.7	P520 S524	P520-S522 PolarHBondContact O-N 2.95Å; S522-S524 PolarHBondContact O-N 2.99Å
523	P	26.5	Very low	40.2	Very low	117 Å²	117	94.8 Å²	94.8	76%	0.76	53%	0.525	S	S	*	.			trans	-49.9	123.3	-179.9	20.6	-30.9	0	0	0	107.8	L525	P523-L525 VanDerWaalsContact C-N 3.34Å; P523-L525 PolarHBondContact O-N 3.38Å
524	S	31.1	Very low	40.9	Very low	101 Å²	101	92.9 Å²	92.9	71%	0.706	51%	0.512	S	S	*	.			trans	-50.9	97.5	-173	46	0	0	0	0	109.8	S522 H526	S522-S524 PolarHBondContact O-N 2.99Å; S524-H526 PolarHBondContact O-N 2.97Å; S524-H526 VanDerWaalsContact O-N 3.09Å; S524-H526 PolarHBondContact O-ND1 3.4Å
525	L	28.7	Very low	42.6	Very low	169 Å²	169	90.8 Å²	90.8	89%	0.885	50%	0.499	S	S	*	.			trans	-56.7	119.7	159.5	-107.5	104.9	0	0	0	104.8	P523 K527	P523-L525 VanDerWaalsContact C-N 3.34Å; P523-L525 PolarHBondContact O-N 3.38Å; L525-K527 PolarHBondContact O-N 3.45Å
526	H	33.2	Very low	44.6	Very low	158 Å²	158	95.9 Å²	95.9	73%	0.731	52%	0.52	S	S	*	.			trans	-48.2	139	-176.8	-76.4	43.3	0	0	0	110.4	S524 H528	S524-H526 PolarHBondContact O-N 2.97Å; S524-H526 VanDerWaalsContact O-N 3.09Å; S524-H526 PolarHBondContact O-ND1 3.4Å; H526-H528 PolarHBondContact O-N 3.26Å
527	K	40.8	Very low	47.3	Very low	131 Å²	131	94.6 Å²	94.6	57%	0.57	51%	0.51	S	S	*	.			trans	-38.4	107	173.6	-68.5	171.4	175.9	173.9	0	110.9	L525	L525-K527 PolarHBondContact O-N 3.45Å
528	H	37.9	Very low	50.2	Low	128 Å²	128	98 Å²	98	59%	0.593	52%	0.515	S	S	*	.			trans	-122.5	85	157.7	-76.1	-58.3	0	0	0	108.4	H526 N530 R943	H526-H528 PolarHBondContact O-N 3.26Å; H528-N530 PolarHBondContact O-N 3.08Å; H528-R943 PolarHBondContact O-NE 2.99Å; H528-R943 VanDerWaalsContact O-NE 3.1Å; H528-R943 PolarHBondContact O-NH2 3.03Å
529	I	44.4	Very low	52.9	Low	56 Å²	56	96.4 Å²	96.4	29%	0.287	50%	0.503	S	S	.	.			trans	-73.6	52.3	166.4	-52.3	169.4	0	0	0	108.2	Q531	I529-Q531 PolarHBondContact O-N 3.35Å
530	N	41.6	Very low	55.8	Low	129 Å²	129	100 Å²	100	69%	0.69	52%	0.516	S	S	*	.			trans	-71.2	7.6	-177.1	-70.9	2	0	0	0	114.7	H528	H528-N530 PolarHBondContact O-N 3.08Å
531	Q	57.5	Low	58.9	Low	91 Å²	91	97 Å²	97	43%	0.425	50%	0.495	S	S	.	.	S	Bend	trans	-148.9	106.1	174.1	-165.6	164.5	2.1	0	0	108	I529 K939 R943	I529-Q531 PolarHBondContact O-N 3.35Å; Q531-K939 VanDerWaalsContact CD-O 3.26Å; Q531-K939 PolarHBondContact OE1-O 3.37Å; Q531-R943 PolarHBondContact O-NH2 2.86Å
532	M	71.4	Confident	62.2	Low	54 Å²	54	92.5 Å²	92.5	27%	0.266	47%	0.465	S	S	.	.			trans	-76.7	136.8	179.5	-61.3	156.9	174.5	0	0	109.9	F534 E589 F592 E593	M532-F534 HydrophobicContact CB-CD1 4.08Å; M532-F534 HydrophobicContact CB-CE1 3.51Å; M532-F534 HydrophobicContact CB-CZ 4.33Å; M532-F534 HydrophobicContact CG-CE1 4.37Å; M532-F534 HydrophobicContact SD-CE1 4.32Å; M532-E589 HydrophobicContact CE-CB 4.32Å; M532-E589 HydrophobicContact CE-CG 3.63Å; M532-E589 WeakPolarHBondContact CE-O 3.44Å; M532-F592 HydrophobicContact CE-CB 3.78Å; M532-F592 HydrophobicContact CG-CB 4.43Å; M532-F592 HydrophobicContact SD-CB 3.31Å; M532-F592 WeakPolarHBondContact SD-CB 3.4Å; M532-F592 HydrophobicContact SD-CD2 4.36Å; M532-F592 HydrophobicContact SD-CG 4.25Å; M532-E593 HydrophobicContact CE-CG 3.82Å
533	V	69.8	Low	65.5	Low	34 Å²	34	91 Å²	91	21%	0.206	45%	0.451	C	S	.	.			trans	-120.3	109.6	-179.1	-176.5	0	0	0	0	109.2	S596	V533-S596 PolarHBondContact N-OG 3.22Å
534	F	80.1	Confident	68.6	Low	47 Å²	47	89 Å²	89	21%	0.206	43%	0.431	C	S	.	.			trans	-153.5	159.7	172.3	44.6	-105.6	0	0	0	110.1	M532 F592 A595 V612	M532-F534 HydrophobicContact CB-CD1 4.08Å; M532-F534 HydrophobicContact CB-CE1 3.51Å; M532-F534 HydrophobicContact CB-CZ 4.33Å; M532-F534 HydrophobicContact CG-CE1 4.37Å; M532-F534 HydrophobicContact SD-CE1 4.32Å; F534-F592 HydrophobicContact CE1-CB 3.92Å; F534-F592 HydrophobicContact CE1-CD1 4.34Å; F534-F592 HydrophobicContact CE1-CG 4.29Å; F534-F592 HydrophobicContact CZ-CB 4.34Å; F534-F592 HydrophobicContact CZ-CD1 4.17Å; F534-F592 HydrophobicContact CZ-CG 4.24Å; F534-A595 HydrophobicContact CD1-CB 4.39Å; F534-V612 HydrophobicContact CB-CG2 4.2Å; F534-V612 HydrophobicContact CD1-CG2 4.03Å; F534-V612 HydrophobicContact CD2-CB 3.52Å; F534-V612 HydrophobicContact CD2-CG1 4.32Å; F534-V612 HydrophobicContact CD2-CG2 3.57Å; F534-V612 HydrophobicContact CE1-CG2 4.28Å; F534-V612 HydrophobicContact CE2-CB 3.59Å; F534-V612 HydrophobicContact CE2-CG1 3.88Å; F534-V612 HydrophobicContact CE2-CG2 3.86Å; F534-V612 HydrophobicContact CG-CB 4.16Å; F534-V612 HydrophobicContact CG-CG2 3.66Å; F534-V612 HydrophobicContact CZ-CB 4.28Å; F534-V612 HydrophobicContact CZ-CG1 4.27Å; F534-V612 HydrophobicContact CZ-CG2 4.2Å
535	H	83.8	Confident	71.5	Confident	58 Å²	58	88.7 Å²	88.7	27%	0.269	42%	0.421	S	S	.	.			trans	-72.8	135.2	174.1	179.9	61.7	0	0	0	110.5	R561 G611 V612	H535-R561 PolarHBondContact CD2-NH2 3.04Å; H535-R561 PolarHBondContact NE2-NH2 2.98Å; H535-R561 VanDerWaalsContact NE2-NH2 3.11Å; H535-G611 CarbonylContact O-C 3.42Å; H535-G611 WeakPolarHBondContact O-CA 3.25Å; H535-V612 PolarHBondContact O-N 3.41Å
536	K	87.4	Confident	74.5	Confident	173 Å²	173	85.5 Å²	85.5	75%	0.752	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-88.2	123.9	175.6	-66.8	-176.9	179	-178.5	0	109.3	V612	K536-V612 WeakPolarHBondContact CA-O 3.38Å
537	I	90.6	Very high	77.3	Confident	10 Å²	10	81.8 Å²	81.8	5%	0.051	39%	0.393	C	S	.	.			trans	-104.7	135.5	175.8	-63.2	169.7	0	0	0	107.8	D541 L542 V612 C613 V622	I537-D541 HydrophobicContact CG2-CB 4.45Å; I537-L542 HydrophobicContact CG2-CD1 4.02Å; I537-L542 HydrophobicContact CG2-CD2 4.03Å; I537-L542 HydrophobicContact CG2-CG 3.87Å; I537-V612 PolarHBondContact N-O 2.88Å; I537-C613 HydrophobicContact CB-CB 4.42Å; I537-C613 WeakPolarHBondContact O-CA 3.27Å; I537-C613 WeakPolarHBondContact O-CB 3.42Å; I537-C613 PolarHBondContact O-SG 3.12Å; I537-V622 HydrophobicContact CD1-CB 3.67Å; I537-V622 HydrophobicContact CD1-CG1 4.09Å; I537-V622 HydrophobicContact CD1-CG2 3.77Å
538	R	90.5	Very high	79.6	Confident	143 Å²	143	78.7 Å²	78.7	54%	0.54	38%	0.383	S	S	.	.			trans	-83.5	150.1	178.1	-50.3	174.1	-66.4	178.1	2.8	109.9	E540 D541	R538-E540 VanDerWaalsContact C-N 3.3Å; R538-E540 HydrophobicContact CB-CG 4.09Å; R538-E540 WeakPolarHBondContact CB-OE1 3.49Å; R538-E540 WeakPolarHBondContact CB-OE2 3.33Å; R538-E540 WeakPolarHBondContact CD-OE1 3.23Å; R538-E540 IonicContact NE-OE1 3.74Å; R538-E540 PolarHBondContact O-N 3.43Å; R538-D541 WeakPolarHBondContact CB-OD2 3.39Å; R538-D541 IonicContact CZ-OD1 3.67Å; R538-D541 IonicContact CZ-OD2 3.63Å; R538-D541 IonicContact NE-OD1 2.8Å; R538-D541 IonicContact NE-OD2 3.79Å; R538-D541 PolarHBondContact NE-OD2 3.33Å; R538-D541 IonicContact NH2-OD1 3.44Å; R538-D541 PolarHBondContact NH2-OD1 3.47Å; R538-D541 IonicContact NH2-OD2 3.49Å; R538-D541 PolarHBondContact NH2-OD2 3.2Å; R538-D541 WeakPolarHBondContact O-CB 3.48Å; R538-D541 PolarHBondContact O-N 2.89Å
539	K	89.8	Confident	82	Confident	77 Å²	77	74 Å²	74	34%	0.335	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-67.5	-33.5	-174.7	-175.3	167.4	178.5	167.1	0	112	D541 L542 C615 E618	K539-D541 PolarHBondContact O-N 2.97Å; K539-L542 PolarHBondContact O-N 3.46Å; K539-L542 VanDerWaalsContact O-N 3.11Å; K539-C615 HydrophobicContact CB-CB 4.36Å; K539-C615 HydrophobicContact CD-CB 3.6Å; K539-C615 WeakPolarHBondContact CD-SG 3.41Å; K539-E618 IonicContact NZ-OE2 3.88Å; K539-E618 PolarHBondContact NZ-OE2 3.43Å
540	E	91.3	Very high	84	Confident	132 Å²	132	78.2 Å²	78.2	62%	0.617	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-62.6	-22.5	175.8	59.1	-92.6	-148.2	0	0	113.8	R538 L542	R538-E540 VanDerWaalsContact C-N 3.3Å; R538-E540 HydrophobicContact CB-CG 4.09Å; R538-E540 WeakPolarHBondContact CB-OE1 3.49Å; R538-E540 WeakPolarHBondContact CB-OE2 3.33Å; R538-E540 WeakPolarHBondContact CD-OE1 3.23Å; R538-E540 IonicContact NE-OE1 3.74Å; R538-E540 PolarHBondContact O-N 3.43Å; E540-L542 VanDerWaalsContact C-N 3.27Å; E540-L542 PolarHBondContact O-N 3Å
541	D	91.8	Very high	86.2	Confident	27 Å²	27	73.4 Å²	73.4	14%	0.144	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-84.7	-1	178.5	-61	-35	0	0	0	111.9	I537 R538 K539 R561 K562	I537-D541 HydrophobicContact CG2-CB 4.45Å; R538-D541 WeakPolarHBondContact CB-OD2 3.39Å; R538-D541 IonicContact CZ-OD1 3.67Å; R538-D541 IonicContact CZ-OD2 3.63Å; R538-D541 IonicContact NE-OD1 2.8Å; R538-D541 IonicContact NE-OD2 3.79Å; R538-D541 PolarHBondContact NE-OD2 3.33Å; R538-D541 IonicContact NH2-OD1 3.44Å; R538-D541 PolarHBondContact NH2-OD1 3.47Å; R538-D541 IonicContact NH2-OD2 3.49Å; R538-D541 PolarHBondContact NH2-OD2 3.2Å; R538-D541 WeakPolarHBondContact O-CB 3.48Å; R538-D541 PolarHBondContact O-N 2.89Å; K539-D541 PolarHBondContact O-N 2.97Å; D541-R561 CarbonylContact O-C 3.51Å; D541-R561 WeakPolarHBondContact O-CA 3.47Å; D541-K562 WeakPolarHBondContact CB-O 3.37Å; D541-K562 PolarHBondContact O-N 3.15Å
542	L	93.5	Very high	87.6	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.068	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.1	-177.4	-64.6	174.4	0	0	0	112.4	I537 K539 E540 R561 C613 V622	I537-L542 HydrophobicContact CG2-CD1 4.02Å; I537-L542 HydrophobicContact CG2-CD2 4.03Å; I537-L542 HydrophobicContact CG2-CG 3.87Å; K539-L542 PolarHBondContact O-N 3.46Å; K539-L542 VanDerWaalsContact O-N 3.11Å; E540-L542 VanDerWaalsContact C-N 3.27Å; E540-L542 PolarHBondContact O-N 3Å; L542-R561 HydrophobicContact CD2-CB 4.03Å; L542-R561 HydrophobicContact CD2-CG 4.27Å; L542-C613 HydrophobicContact CD1-CB 3.87Å; L542-V622 HydrophobicContact CD1-CG2 3.8Å; L542-V622 HydrophobicContact CD2-CG1 4.12Å; L542-V622 HydrophobicContact CD2-CG2 4.03Å
543	V	93.9	Very high	88.7	Confident	62 Å²	62	70.6 Å²	70.6	38%	0.376	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.8	171.4	-176.7	0	0	0	0	108.8	G559 V560	V543-G559 CarbonylContact O-C 3.59Å; V543-G559 WeakPolarHBondContact O-CA 3.45Å; V543-V560 HydrophobicContact CB-CB 4.38Å; V543-V560 PolarHBondContact N-O 2.83Å; V543-V560 PolarHBondContact O-N 3.25Å
544	F	92.5	Very high	89.8	Confident	77 Å²	77	69.3 Å²	69.3	34%	0.338	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.9	178.9	-63.6	-91.7	0	0	0	111.1	F557 V577 I579 M620	F544-F557 HydrophobicContact CD1-CB 4.23Å; F544-V577 HydrophobicContact CD1-CB 4.49Å; F544-V577 HydrophobicContact CE1-CB 3.94Å; F544-V577 HydrophobicContact CE1-CG1 3.68Å; F544-V577 HydrophobicContact CE1-CG2 4.21Å; F544-V577 HydrophobicContact CZ-CG1 4.25Å; F544-I579 HydrophobicContact CE1-CD1 3.88Å; F544-M620 HydrophobicContact CE1-SD 4.4Å; F544-M620 HydrophobicContact CZ-CE 4.06Å; F544-M620 HydrophobicContact CZ-SD 3.7Å
545	N	91.1	Very high	90.4	Very high	93 Å²	93	70.9 Å²	70.9	50%	0.497	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-119.6	178.8	-63.2	62.7	0	0	0	109.3	R558	N545-R558 WeakPolarHBondContact CA-O 3.38Å; N545-R558 HydrophobicContact CB-CB 4.36Å; N545-R558 WeakPolarHBondContact CB-O 3.47Å; N545-R558 PolarHBondContact N-O 2.9Å
546	E	91.8	Very high	90.9	Very high	103 Å²	103	70 Å²	70	48%	0.481	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	154.9	-174.8	65.9	-164.9	155.5	0	0	113.5	L548 F557 R558	E546-L548 HydrophobicContact CG-CD2 4.38Å; E546-F557 CarbonylContact O-C 3.55Å; E546-F557 WeakPolarHBondContact O-CA 3.42Å; E546-R558 HydrophobicContact CG-CB 4Å; E546-R558 PolarHBondContact O-N 2.89Å; E546-R558 IonicContact OE1-NH1 3.14Å; E546-R558 PolarHBondContact OE1-NH1 3.45Å
547	S	92.9	Very high	91.3	Very high	79 Å²	79	64.3 Å²	64.3	55%	0.552	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.5	172	172	0	0	0	0	110.3
548	L	88.8	Confident	91.5	Very high	67 Å²	67	67.1 Å²	67.1	35%	0.351	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-18.7	178.4	-62.7	175.7	0	0	0	112.7	E546 L556 R558 A576 Y625	E546-L548 HydrophobicContact CG-CD2 4.38Å; L548-L556 HydrophobicContact CB-CB 4.28Å; L548-L556 HydrophobicContact CB-CD2 3.95Å; L548-L556 HydrophobicContact CB-CG 3.99Å; L548-L556 HydrophobicContact CD1-CD2 4.27Å; L548-L556 HydrophobicContact CD1-CG 4.18Å; L548-L556 PolarHBondContact N-O 2.89Å; L548-R558 HydrophobicContact CD1-CB 4.01Å; L548-R558 HydrophobicContact CD2-CB 4.13Å; L548-R558 HydrophobicContact CG-CB 4.08Å; L548-A576 HydrophobicContact CD1-CB 4.32Å; L548-Y625 HydrophobicContact CD1-CD2 4.08Å; L548-Y625 HydrophobicContact CD1-CE2 3.81Å; L548-Y625 HydrophobicContact CD2-CE2 4.12Å
549	G	87.4	Confident	91.6	Very high	28 Å²	28	60.3 Å²	60.3	29%	0.289	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.4	-160.9	175.9	0	0	0	0	0	113.8	L556	G549-L556 PolarHBondContact N-O 3.47Å; G549-L556 PolarHBondContact O-N 3.34Å
550	Q	87.4	Confident	91.9	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.5	-178.7	-65.1	179.9	0.5	0	0	111.5	T554 K555 K674	Q550-T554 WeakPolarHBondContact CA-O 3.34Å; Q550-K555 HydrophobicContact CG-CG 4.48Å; Q550-K674 PolarHBondContact O-NZ 2.96Å
551	G	86.3	Confident	92	Very high	29 Å²	29	51.7 Å²	51.7	30%	0.299	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-177.8	166.2	0	0	0	0	0	110.7	F553 T554	G551-F553 PolarHBondContact O-N 3.09Å; G551-F553 VanDerWaalsContact O-N 3.11Å; G551-T554 WeakPolarHBondContact CA-OG1 3.47Å; G551-T554 PolarHBondContact N-O 2.8Å; G551-T554 PolarHBondContact O-N 3.22Å
552	T	88.7	Confident	91.9	Very high	44 Å²	44	54.2 Å²	54.2	27%	0.27	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	117	171	-58.5	0	0	0	0	108.5	T554 L704 V708 R712	T552-T554 PolarHBondContact O-N 2.9Å; T552-T554 PolarHBondContact O-OG1 2.91Å; T552-L704 HydrophobicContact CG2-CD2 4.05Å; T552-V708 HydrophobicContact CG2-CG1 4.09Å; T552-R712 PolarHBondContact OG1-NH2 3.39Å
553	F	93.4	Very high	91.5	Very high	41 Å²	41	55.1 Å²	55.1	18%	0.18	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	15.4	-178.9	-48.5	-35.7	0	0	0	115.3	G551 L580 D581 H584 F587 I699 L704 V708	G551-F553 PolarHBondContact O-N 3.09Å; G551-F553 VanDerWaalsContact O-N 3.11Å; F553-L580 HydrophobicContact CB-CD1 4.49Å; F553-D581 WeakPolarHBondContact O-CB 3.14Å; F553-D581 PolarHBondContact O-N 3.09Å; F553-H584 HydrophobicContact CB-CB 3.8Å; F553-H584 AromaticContact CD1-CD2 3.33Å; F553-H584 WeakPolarHBondContact CD1-CD2 3.39Å; F553-H584 AromaticContact CD1-CE1 3.67Å; F553-H584 AromaticContact CD1-CG 3.74Å; F553-H584 AromaticContact CD1-ND1 3.94Å; F553-H584 AromaticContact CD1-NE2 3.29Å; F553-H584 VanDerWaalsContact CD1-NE2 3.29Å; F553-H584 WeakPolarHBondContact CD1-NE2 3.42Å; F553-H584 AromaticContact CE1-CE1 3.76Å; F553-H584 AromaticContact CE1-NE2 3.76Å; F553-H584 HydrophobicContact CG-CB 4.11Å; F553-H584 AromaticContact CG-CD2 3.62Å; F553-H584 AromaticContact CG-CG 3.71Å; F553-F587 AromaticContact CD2-CD2 3.95Å; F553-F587 HydrophobicContact CD2-CD2 3.95Å; F553-F587 HydrophobicContact CD2-CE2 4.01Å; F553-F587 HydrophobicContact CE2-CD2 4.21Å; F553-F587 AromaticContact CE2-CE2 3.83Å; F553-F587 HydrophobicContact CE2-CE2 3.83Å; F553-F587 HydrophobicContact CE2-CZ 4.26Å; F553-I699 HydrophobicContact CD2-CG1 4.45Å; F553-L704 HydrophobicContact CD2-CD2 4.04Å; F553-L704 HydrophobicContact CE2-CD2 3.45Å; F553-L704 VanDerWaalsContact CE2-CD2 3.45Å; F553-L704 HydrophobicContact CZ-CD2 4.33Å; F553-V708 HydrophobicContact CZ-CG2 4.12Å
554	T	93.2	Very high	90.9	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.049	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.6	-173	48	0	0	0	0	111.5	Q550 G551 T552 K578 I579 L580 F591	Q550-T554 WeakPolarHBondContact CA-O 3.34Å; G551-T554 WeakPolarHBondContact CA-OG1 3.47Å; G551-T554 PolarHBondContact N-O 2.8Å; G551-T554 PolarHBondContact O-N 3.22Å; T552-T554 PolarHBondContact O-N 2.9Å; T552-T554 PolarHBondContact O-OG1 2.91Å; T554-K578 HydrophobicContact CG2-CD 4.28Å; T554-K578 HydrophobicContact CG2-CG 4.07Å; T554-I579 CarbonylContact C-O 3.58Å; T554-I579 WeakPolarHBondContact CA-O 3.27Å; T554-L580 HydrophobicContact CG2-CD1 4.16Å; T554-F591 HydrophobicContact CG2-CD2 4.27Å; T554-F591 HydrophobicContact CG2-CE2 3.93Å
555	K	93.5	Very high	90	Very high	80 Å²	80	54 Å²	54	35%	0.348	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.3	173.4	-65.7	172.4	-174.5	152.8	0	108.8	Q550 F557 K578 I579 D581	Q550-K555 HydrophobicContact CG-CG 4.48Å; K555-F557 HydrophobicContact CB-CD2 4.45Å; K555-F557 HydrophobicContact CB-CE2 3.66Å; K555-F557 HydrophobicContact CB-CZ 4.33Å; K555-K578 WeakPolarHBondContact O-CA 3.4Å; K555-I579 PolarHBondContact N-O 3.01Å; K555-I579 PolarHBondContact O-N 3.04Å; K555-D581 WeakPolarHBondContact CE-OD2 3.07Å; K555-D581 IonicContact NZ-OD2 3.84Å; K555-D581 PolarHBondContact NZ-OD2 3.25Å
556	L	93.5	Very high	88.9	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	-176.8	-169.1	68.2	0	0	0	110	L548 G549 A576 K578	L548-L556 HydrophobicContact CB-CB 4.28Å; L548-L556 HydrophobicContact CB-CD2 3.95Å; L548-L556 HydrophobicContact CB-CG 3.99Å; L548-L556 HydrophobicContact CD1-CD2 4.27Å; L548-L556 HydrophobicContact CD1-CG 4.18Å; L548-L556 PolarHBondContact N-O 2.89Å; G549-L556 PolarHBondContact N-O 3.47Å; G549-L556 PolarHBondContact O-N 3.34Å; L556-A576 HydrophobicContact CD1-CB 4.17Å; L556-K578 HydrophobicContact CD1-CB 3.81Å; L556-K578 HydrophobicContact CD1-CG 4.37Å
557	F	94.6	Very high	87.7	Confident	52 Å²	52	54 Å²	54	23%	0.228	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.7	178.8	-65.5	-90.2	0	0	0	110.6	F544 E546 K555 A576 V577 I579	F544-F557 HydrophobicContact CD1-CB 4.23Å; E546-F557 CarbonylContact O-C 3.55Å; E546-F557 WeakPolarHBondContact O-CA 3.42Å; K555-F557 HydrophobicContact CB-CD2 4.45Å; K555-F557 HydrophobicContact CB-CE2 3.66Å; K555-F557 HydrophobicContact CB-CZ 4.33Å; F557-A576 CarbonylContact O-C 3.59Å; F557-A576 WeakPolarHBondContact O-CA 3.4Å; F557-V577 PolarHBondContact N-O 2.69Å; F557-V577 PolarHBondContact O-N 3.24Å; F557-I579 HydrophobicContact CD2-CD1 3.72Å; F557-I579 HydrophobicContact CD2-CG1 4.18Å; F557-I579 HydrophobicContact CE2-CD1 3.8Å; F557-I579 HydrophobicContact CE2-CG1 4.43Å
558	R	94.8	Very high	86.6	Confident	69 Å²	69	52.8 Å²	52.8	26%	0.26	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	145.3	161.5	-171.6	175.2	176.1	-166.8	-1.3	108.3	N545 E546 L548 D574 Y625	N545-R558 WeakPolarHBondContact CA-O 3.38Å; N545-R558 HydrophobicContact CB-CB 4.36Å; N545-R558 WeakPolarHBondContact CB-O 3.47Å; N545-R558 PolarHBondContact N-O 2.9Å; E546-R558 HydrophobicContact CG-CB 4Å; E546-R558 PolarHBondContact O-N 2.89Å; E546-R558 IonicContact OE1-NH1 3.14Å; E546-R558 PolarHBondContact OE1-NH1 3.45Å; L548-R558 HydrophobicContact CD1-CB 4.01Å; L548-R558 HydrophobicContact CD2-CB 4.13Å; L548-R558 HydrophobicContact CG-CB 4.08Å; R558-D574 IonicContact CZ-OD2 2.75Å; R558-D574 IonicContact NE-OD2 2.82Å; R558-D574 IonicContact NH2-OD2 2.88Å; R558-D574 PolarHBondContact NH2-OD2 3.07Å; R558-Y625 HydrophobicContact CG-CD2 4.25Å; R558-Y625 HydrophobicContact CG-CE2 4.08Å
559	G	94.4	Very high	86.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-177.9	175.6	0	0	0	0	0	112.6	V543 V575	V543-G559 CarbonylContact O-C 3.59Å; V543-G559 WeakPolarHBondContact O-CA 3.45Å; G559-V575 PolarHBondContact N-O 3.42Å; G559-V575 WeakPolarHBondContact O-CG2 3.3Å; G559-V575 PolarHBondContact O-N 2.72Å; G559-V575 VanDerWaalsContact O-O 3.12Å
560	V	94.4	Very high	86	Confident	23 Å²	23	57.9 Å²	57.9	14%	0.139	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.8	173.8	-179.4	0	0	0	0	108.7	V543 Q572 L573	V543-V560 HydrophobicContact CB-CB 4.38Å; V543-V560 PolarHBondContact N-O 2.83Å; V543-V560 PolarHBondContact O-N 3.25Å; V560-Q572 HydrophobicContact CG1-CB 3.93Å; V560-Q572 HydrophobicContact CG1-CG 4.45Å; V560-L573 CarbonylContact C-O 3.57Å; V560-L573 WeakPolarHBondContact CA-O 3.19Å
561	R	93.4	Very high	86	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.1	169.4	178.5	-173.5	171.9	-176.3	6.2	109.4	H535 D541 L542 E563 Q572 L573 V575	H535-R561 PolarHBondContact CD2-NH2 3.04Å; H535-R561 PolarHBondContact NE2-NH2 2.98Å; H535-R561 VanDerWaalsContact NE2-NH2 3.11Å; D541-R561 CarbonylContact O-C 3.51Å; D541-R561 WeakPolarHBondContact O-CA 3.47Å; L542-R561 HydrophobicContact CD2-CB 4.03Å; L542-R561 HydrophobicContact CD2-CG 4.27Å; R561-E563 IonicContact CZ-OE2 2.84Å; R561-E563 VanDerWaalsContact CZ-OE2 3.24Å; R561-E563 IonicContact NE-OE2 3.73Å; R561-E563 PolarHBondContact NE-OE2 3.45Å; R561-E563 IonicContact NH2-OE1 3.34Å; R561-E563 PolarHBondContact NH2-OE1 3.01Å; R561-E563 IonicContact NH2-OE2 3.87Å; R561-E563 PolarHBondContact NH2-OE2 3.1Å; R561-Q572 WeakPolarHBondContact O-CA 3.39Å; R561-L573 PolarHBondContact N-O 3.42Å; R561-L573 PolarHBondContact O-N 2.92Å; R561-V575 HydrophobicContact CB-CG1 3.78Å; R561-V575 HydrophobicContact CB-CG2 4.27Å
562	K	91.6	Very high	86.2	Confident	80 Å²	80	58.9 Å²	58.9	35%	0.348	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.8	170.5	-63.5	178.7	-178.4	174.6	0	109.1	D541 V570 H571 Q572	D541-K562 WeakPolarHBondContact CB-O 3.37Å; D541-K562 PolarHBondContact O-N 3.15Å; K562-V570 HydrophobicContact CB-CG1 4.01Å; K562-V570 HydrophobicContact CG-CG1 4.39Å; K562-H571 CarbonylContact C-O 3.58Å; K562-H571 WeakPolarHBondContact CA-O 3.46Å; K562-Q572 HydrophobicContact CG-CG 4.34Å
563	E	84.4	Confident	86.2	Confident	32 Å²	32	58 Å²	58	15%	0.15	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.4	175.9	-169.1	77.3	169.4	0	0	109	R561 G565 H571 F847	R561-E563 IonicContact CZ-OE2 2.84Å; R561-E563 VanDerWaalsContact CZ-OE2 3.24Å; R561-E563 IonicContact NE-OE2 3.73Å; R561-E563 PolarHBondContact NE-OE2 3.45Å; R561-E563 IonicContact NH2-OE1 3.34Å; R561-E563 PolarHBondContact NH2-OE1 3.01Å; R561-E563 IonicContact NH2-OE2 3.87Å; R561-E563 PolarHBondContact NH2-OE2 3.1Å; E563-G565 PolarHBondContact O-N 2.9Å; E563-H571 PolarHBondContact N-O 3.37Å; E563-H571 PolarHBondContact O-N 3.25Å; E563-F847 HydrophobicContact CB-CE1 4.09Å; E563-F847 HydrophobicContact CG-CE1 3.69Å; E563-F847 HydrophobicContact CG-CZ 4.23Å
564	L	81.7	Confident	86.1	Confident	110 Å²	110	59.5 Å²	59.5	58%	0.576	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.2	174.2	-167.1	70.8	0	0	0	109.1	V570	L564-V570 HydrophobicContact CD1-CG2 3.95Å
565	G	73.1	Confident	86.2	Confident	6 Å²	6	59.1 Å²	59.1	6%	0.062	29%	0.294	C	S	.	.			trans	-89.3	-168.9	172.2	0	0	0	0	0	112.7	E563 E569	E563-G565 PolarHBondContact O-N 2.9Å; G565-E569 PolarHBondContact N-O 3.33Å
566	D	67.8	Low	86.2	Confident	15 Å²	15	55.5 Å²	55.5	8%	0.08	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-66	154.8	173.9	-84.9	-35.2	0	0	0	111.8	G568 E569 K853 S858	D566-G568 PolarHBondContact O-N 2.98Å; D566-E569 PolarHBondContact O-N 3.28Å; D566-K853 IonicContact OD1-NZ 3.37Å; D566-K853 PolarHBondContact OD1-NZ 3.23Å; D566-S858 WeakPolarHBondContact OD2-CB 3.49Å; D566-S858 PolarHBondContact OD2-OG 3.47Å
567	Y	67.6	Low	86.4	Confident	181 Å²	181	53.6 Å²	53.6	71%	0.71	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	58	15.4	-179.4	-51	-77.6	0	0	0	116	Q881	Y567-Q881 PolarHBondContact OH-O 2.98Å
568	G	69.6	Low	86.4	Confident	53 Å²	53	52 Å²	52	55%	0.546	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	83.2	10.3	178.9	0	0	0	0	0	114.2	D566	D566-G568 PolarHBondContact O-N 2.98Å
569	E	79	Confident	86.4	Confident	120 Å²	120	50.1 Å²	50.1	56%	0.561	26%	0.256	S	S	*	.			trans	-65.6	132.9	172	-67.3	-172.6	171.3	0	0	110.3	G565 D566 H571	G565-E569 PolarHBondContact N-O 3.33Å; D566-E569 PolarHBondContact O-N 3.28Å; E569-H571 IonicContact OE2-CE1 2.69Å; E569-H571 IonicContact OE2-NE2 3.79Å
570	V	84.1	Confident	86.5	Confident	83 Å²	83	50.3 Å²	50.3	50%	0.503	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.4	176.4	-179.5	0	0	0	0	108.7	K562 L564	K562-V570 HydrophobicContact CB-CG1 4.01Å; K562-V570 HydrophobicContact CG-CG1 4.39Å; L564-V570 HydrophobicContact CD1-CG2 3.95Å
571	H	86.6	Confident	86.4	Confident	59 Å²	59	51.3 Å²	51.3	27%	0.273	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.8	175.1	-64.2	-80.1	0	0	0	110.3	K562 E563 E569 F847	K562-H571 CarbonylContact C-O 3.58Å; K562-H571 WeakPolarHBondContact CA-O 3.46Å; E563-H571 PolarHBondContact N-O 3.37Å; E563-H571 PolarHBondContact O-N 3.25Å; E569-H571 IonicContact OE2-CE1 2.69Å; E569-H571 IonicContact OE2-NE2 3.79Å; H571-F847 HydrophobicContact CB-CD1 3.74Å; H571-F847 HydrophobicContact CB-CE1 4.29Å; H571-F847 AromaticContact CD2-CD1 3.29Å; H571-F847 WeakPolarHBondContact CD2-CD1 3.48Å; H571-F847 AromaticContact CD2-CE1 3.65Å; H571-F847 AromaticContact CD2-CG 3.85Å; H571-F847 AromaticContact CG-CD1 3.46Å; H571-F847 VanDerWaalsContact CG-CD1 3.46Å; H571-F847 AromaticContact NE2-CD1 3.96Å
572	Q	90.3	Very high	86.1	Confident	136 Å²	136	57.5 Å²	57.5	64%	0.636	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.5	176.4	-61.8	-172.5	14.3	0	0	109.7	V560 R561 K562	V560-Q572 HydrophobicContact CG1-CB 3.93Å; V560-Q572 HydrophobicContact CG1-CG 4.45Å; R561-Q572 WeakPolarHBondContact O-CA 3.39Å; K562-Q572 HydrophobicContact CG-CG 4.34Å
573	L	89.3	Confident	86	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.131	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.5	-177.1	-170.8	67.9	0	0	0	110.2	V560 R561 V575 Y610 L848	V560-L573 CarbonylContact C-O 3.57Å; V560-L573 WeakPolarHBondContact CA-O 3.19Å; R561-L573 PolarHBondContact N-O 3.42Å; R561-L573 PolarHBondContact O-N 2.92Å; L573-V575 HydrophobicContact CD2-CG1 4.43Å; L573-V575 HydrophobicContact CG-CG1 4.38Å; L573-V575 PolarHBondContact O-N 3.29Å; L573-Y610 HydrophobicContact CD2-CD1 4.15Å; L573-Y610 HydrophobicContact CD2-CD2 4.29Å; L573-Y610 HydrophobicContact CD2-CE1 3.52Å; L573-Y610 HydrophobicContact CD2-CE2 3.68Å; L573-Y610 WeakPolarHBondContact CD2-OH 3.46Å; L573-Y610 HydrophobicContact CG-CE2 4.47Å; L573-L848 HydrophobicContact CD1-CD2 4.15Å; L573-L848 HydrophobicContact CD2-CD2 4.05Å
574	D	91.9	Very high	86.3	Confident	73 Å²	73	58.7 Å²	58.7	39%	0.39	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126.6	171	-86.1	8.2	0	0	0	109.7	R558	R558-D574 IonicContact CZ-OD2 2.75Å; R558-D574 IonicContact NE-OD2 2.82Å; R558-D574 IonicContact NH2-OD2 2.88Å; R558-D574 PolarHBondContact NH2-OD2 3.07Å
575	V	94.1	Very high	86.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.2	-176.5	-62.7	0	0	0	0	111.3	G559 R561 L573 V577 Y610 V622 Q623	G559-V575 PolarHBondContact N-O 3.42Å; G559-V575 WeakPolarHBondContact O-CG2 3.3Å; G559-V575 PolarHBondContact O-N 2.72Å; G559-V575 VanDerWaalsContact O-O 3.12Å; R561-V575 HydrophobicContact CB-CG1 3.78Å; R561-V575 HydrophobicContact CB-CG2 4.27Å; L573-V575 HydrophobicContact CD2-CG1 4.43Å; L573-V575 HydrophobicContact CG-CG1 4.38Å; L573-V575 PolarHBondContact O-N 3.29Å; V575-V577 HydrophobicContact CG2-CG2 4.01Å; V575-Y610 HydrophobicContact CG1-CD2 3.67Å; V575-Y610 HydrophobicContact CG1-CE2 3.74Å; V575-V622 HydrophobicContact CB-CG1 3.77Å; V575-V622 HydrophobicContact CG1-CG1 3.87Å; V575-V622 HydrophobicContact CG2-CG1 3.88Å; V575-Q623 WeakPolarHBondContact CA-O 3.42Å
576	A	95.1	Very high	87.3	Confident	3 Å²	3	63.3 Å²	63.3	3%	0.025	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	160.8	0	0	0	0	0	108.8	L548 L556 F557 Q623 Y625	L548-A576 HydrophobicContact CD1-CB 4.32Å; L556-A576 HydrophobicContact CD1-CB 4.17Å; F557-A576 CarbonylContact O-C 3.59Å; F557-A576 WeakPolarHBondContact O-CA 3.4Å; A576-Q623 HydrophobicContact CB-CG 3.82Å; A576-Q623 PolarHBondContact N-O 3.41Å; A576-Q623 WeakPolarHBondContact O-CG 3.23Å; A576-Q623 PolarHBondContact O-N 2.98Å; A576-Y625 HydrophobicContact CB-CD2 4.47Å
577	V	95.8	Very high	88.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.2	178.3	-170.4	0	0	0	0	108.5	F544 F557 V575 I579 M620	F544-V577 HydrophobicContact CD1-CB 4.49Å; F544-V577 HydrophobicContact CE1-CB 3.94Å; F544-V577 HydrophobicContact CE1-CG1 3.68Å; F544-V577 HydrophobicContact CE1-CG2 4.21Å; F544-V577 HydrophobicContact CZ-CG1 4.25Å; F557-V577 PolarHBondContact N-O 2.69Å; F557-V577 PolarHBondContact O-N 3.24Å; V575-V577 HydrophobicContact CG2-CG2 4.01Å; V577-I579 HydrophobicContact CG1-CG1 4.14Å; V577-M620 HydrophobicContact CG1-CB 4.03Å; V577-M620 HydrophobicContact CG1-SD 4.35Å
578	K	95.6	Very high	89.5	Confident	19 Å²	19	57.2 Å²	57.2	8%	0.083	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.8	176.3	-174.4	178.8	-80.2	168.3	0	108.7	T554 K555 L556 F591 M620 M621 D696	T554-K578 HydrophobicContact CG2-CD 4.28Å; T554-K578 HydrophobicContact CG2-CG 4.07Å; K555-K578 WeakPolarHBondContact O-CA 3.4Å; L556-K578 HydrophobicContact CD1-CB 3.81Å; L556-K578 HydrophobicContact CD1-CG 4.37Å; K578-F591 HydrophobicContact CD-CE2 4Å; K578-F591 HydrophobicContact CG-CE2 4.09Å; K578-F591 HydrophobicContact CG-CZ 4.34Å; K578-M620 CarbonylContact O-C 3.39Å; K578-M620 WeakPolarHBondContact O-CA 3.16Å; K578-M621 HydrophobicContact CB-CB 4.42Å; K578-M621 PolarHBondContact N-O 3.03Å; K578-M621 PolarHBondContact O-N 3.02Å; K578-D696 IonicContact NZ-OD1 3.36Å; K578-D696 PolarHBondContact NZ-OD1 3.21Å; K578-D696 IonicContact NZ-OD2 2.66Å; K578-D696 PolarHBondContact NZ-OD2 3.43Å
579	I	95.1	Very high	90.5	Very high	29 Å²	29	60.4 Å²	60.4	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.2	-175.7	-50	-178.5	0	0	0	108.9	F544 T554 K555 F557 V577 M620	F544-I579 HydrophobicContact CE1-CD1 3.88Å; T554-I579 CarbonylContact C-O 3.58Å; T554-I579 WeakPolarHBondContact CA-O 3.27Å; K555-I579 PolarHBondContact N-O 3.01Å; K555-I579 PolarHBondContact O-N 3.04Å; F557-I579 HydrophobicContact CD2-CD1 3.72Å; F557-I579 HydrophobicContact CD2-CG1 4.18Å; F557-I579 HydrophobicContact CE2-CD1 3.8Å; F557-I579 HydrophobicContact CE2-CG1 4.43Å; V577-I579 HydrophobicContact CG1-CG1 4.14Å; I579-M620 HydrophobicContact CD1-CE 4.44Å; I579-M620 HydrophobicContact CG1-CG 4.13Å; I579-M620 HydrophobicContact CG2-CG 4.34Å
580	L	95.2	Very high	91.1	Very high	5 Å²	5	55 Å²	55	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.6	172	-174.2	64.9	0	0	0	110.2	F553 T554 N619 I699	F553-L580 HydrophobicContact CB-CD1 4.49Å; T554-L580 HydrophobicContact CG2-CD1 4.16Å; L580-N619 HydrophobicContact CB-CB 4.17Å; L580-N619 HydrophobicContact CD2-CB 4.48Å; L580-N619 PolarHBondContact N-O 2.96Å; L580-I699 HydrophobicContact CD1-CD1 4.02Å
581	D	92.3	Very high	91.6	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.241	27%	0.266	C	S	.	.			trans	-65.2	138.8	177.4	-157.5	-49.6	0	0	0	110.6	F553 K555 A583 H584	F553-D581 WeakPolarHBondContact O-CB 3.14Å; F553-D581 PolarHBondContact O-N 3.09Å; K555-D581 WeakPolarHBondContact CE-OD2 3.07Å; K555-D581 IonicContact NZ-OD2 3.84Å; K555-D581 PolarHBondContact NZ-OD2 3.25Å; D581-A583 PolarHBondContact O-N 3.16Å; D581-A583 PolarHBondContact OD1-N 3.04Å; D581-H584 CarbonylContact O-C 3.54Å; D581-H584 PolarHBondContact O-N 3.27Å
582	K	88.5	Confident	91.8	Very high	133 Å²	133	49.5 Å²	49.5	58%	0.578	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-59.1	-33	-179.1	-65	-175.9	-179.6	-178.6	0	111.9	H584 E618	K582-H584 PolarHBondContact O-N 2.99Å; K582-E618 IonicContact NZ-OE1 3.02Å
583	A	89.8	Confident	91.8	Very high	80 Å²	80	45.8 Å²	45.8	66%	0.661	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-63.8	-17.2	176	0	0	0	0	0	113.5	D581	D581-A583 PolarHBondContact O-N 3.16Å; D581-A583 PolarHBondContact OD1-N 3.04Å
584	H	89.9	Confident	91.9	Very high	58 Å²	58	44.9 Å²	44.9	27%	0.269	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-123.2	25.8	-170.9	-64.9	-50.8	0	0	0	112.3	F553 D581 K582 S586 F587	F553-H584 HydrophobicContact CB-CB 3.8Å; F553-H584 AromaticContact CD1-CD2 3.33Å; F553-H584 WeakPolarHBondContact CD1-CD2 3.39Å; F553-H584 AromaticContact CD1-CE1 3.67Å; F553-H584 AromaticContact CD1-CG 3.74Å; F553-H584 AromaticContact CD1-ND1 3.94Å; F553-H584 AromaticContact CD1-NE2 3.29Å; F553-H584 VanDerWaalsContact CD1-NE2 3.29Å; F553-H584 WeakPolarHBondContact CD1-NE2 3.42Å; F553-H584 AromaticContact CE1-CE1 3.76Å; F553-H584 AromaticContact CE1-NE2 3.76Å; F553-H584 HydrophobicContact CG-CB 4.11Å; F553-H584 AromaticContact CG-CD2 3.62Å; F553-H584 AromaticContact CG-CG 3.71Å; D581-H584 CarbonylContact O-C 3.54Å; D581-H584 PolarHBondContact O-N 3.27Å; K582-H584 PolarHBondContact O-N 2.99Å; H584-S586 PolarHBondContact O-N 2.69Å; H584-S586 VanDerWaalsContact O-N 3.13Å; H584-F587 HydrophobicContact CB-CD2 3.95Å; H584-F587 HydrophobicContact CB-CE2 4.37Å; H584-F587 WeakPolarHBondContact O-CD2 2.98Å; H584-F587 PolarHBondContact O-N 2.82Å
585	R	86.6	Confident	91.9	Very high	112 Å²	112	41.4 Å²	41.4	42%	0.423	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-57.5	-27.5	-179.3	-173.4	-178.4	-176.9	158.1	11.5	113.6	F587 S588 D617	R585-F587 PolarHBondContact O-N 2.83Å; R585-S588 VanDerWaalsContact O-CB 3.3Å; R585-S588 WeakPolarHBondContact O-CB 3.34Å; R585-S588 PolarHBondContact O-N 3.49Å; R585-S588 PolarHBondContact O-OG 3.23Å; R585-D617 IonicContact CZ-OD1 2.7Å; R585-D617 IonicContact NH1-OD1 3.67Å; R585-D617 PolarHBondContact NH1-OD1 2.96Å; R585-D617 IonicContact NH1-OD2 3.95Å; R585-D617 IonicContact NH2-OD1 3.61Å; R585-D617 PolarHBondContact NH2-OD1 3.5Å
586	S	88.9	Confident	91.5	Very high	101 Å²	101	41.4 Å²	41.4	71%	0.706	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-55.9	-22.2	175.7	54.1	0	0	0	0	113.5	H584	H584-S586 PolarHBondContact O-N 2.69Å; H584-S586 VanDerWaalsContact O-N 3.13Å
587	F	91.8	Very high	91.2	Very high	35 Å²	35	43 Å²	43	15%	0.154	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-93.2	10.7	177.7	-53.5	-70.1	0	0	0	113.9	F553 H584 R585 E589 S590 F591 I699 V703	F553-F587 AromaticContact CD2-CD2 3.95Å; F553-F587 HydrophobicContact CD2-CD2 3.95Å; F553-F587 HydrophobicContact CD2-CE2 4.01Å; F553-F587 HydrophobicContact CE2-CD2 4.21Å; F553-F587 AromaticContact CE2-CE2 3.83Å; F553-F587 HydrophobicContact CE2-CE2 3.83Å; F553-F587 HydrophobicContact CE2-CZ 4.26Å; H584-F587 HydrophobicContact CB-CD2 3.95Å; H584-F587 HydrophobicContact CB-CE2 4.37Å; H584-F587 WeakPolarHBondContact O-CD2 2.98Å; H584-F587 PolarHBondContact O-N 2.82Å; R585-F587 PolarHBondContact O-N 2.83Å; F587-E589 PolarHBondContact O-N 2.76Å; F587-S590 PolarHBondContact O-N 3.13Å; F587-F591 PolarHBondContact O-N 3.23Å; F587-I699 HydrophobicContact CB-CD1 3.95Å; F587-I699 HydrophobicContact CB-CG1 4.39Å; F587-I699 HydrophobicContact CB-CG2 4.02Å; F587-I699 HydrophobicContact CD1-CG2 4.24Å; F587-I699 HydrophobicContact CG-CG2 4.22Å; F587-V703 HydrophobicContact CD1-CB 4.28Å; F587-V703 HydrophobicContact CD1-CG2 3.92Å; F587-V703 HydrophobicContact CE1-CB 4.48Å; F587-V703 HydrophobicContact CE1-CG2 4.46Å; F587-V703 VanDerWaalsContact CE1-O 3.27Å; F587-V703 WeakPolarHBondContact CE1-O 3.11Å
588	S	91.2	Very high	90.9	Very high	32 Å²	32	43.1 Å²	43.1	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-33.4	-178.9	60.6	0	0	0	0	113.2	R585 F591 F592 N619	R585-S588 VanDerWaalsContact O-CB 3.3Å; R585-S588 WeakPolarHBondContact O-CB 3.34Å; R585-S588 PolarHBondContact O-N 3.49Å; R585-S588 PolarHBondContact O-OG 3.23Å; S588-F591 WeakPolarHBondContact O-CB 3.34Å; S588-F591 PolarHBondContact O-N 3.04Å; S588-F592 WeakPolarHBondContact O-CD2 3.12Å; S588-F592 WeakPolarHBondContact O-CG 3.47Å; S588-F592 PolarHBondContact O-N 2.82Å; S588-N619 VanDerWaalsContact CB-ND2 3.32Å; S588-N619 WeakPolarHBondContact CB-ND2 3.42Å
589	E	90	Very high	90.5	Very high	120 Å²	120	43.3 Å²	43.3	56%	0.561	23%	0.23	S	C	*	.	H	α-helix	trans	-61.4	-57.9	177.2	-173.5	173	-166.7	0	0	110.6	M532 F587 F591 F592 E593	M532-E589 HydrophobicContact CE-CB 4.32Å; M532-E589 HydrophobicContact CE-CG 3.63Å; M532-E589 WeakPolarHBondContact CE-O 3.44Å; F587-E589 PolarHBondContact O-N 2.76Å; E589-F591 PolarHBondContact O-N 3.3Å; E589-F592 CarbonylContact O-C 3.48Å; E589-F592 PolarHBondContact O-N 3.33Å; E589-E593 WeakPolarHBondContact O-CG 3.31Å; E589-E593 PolarHBondContact O-N 3.07Å
590	S	91.3	Very high	89.9	Confident	8 Å²	8	43.7 Å²	43.7	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-35.1	177.1	-173.2	0	0	0	0	113.1	F587 F592 E593 A594 G700	F587-S590 PolarHBondContact O-N 3.13Å; S590-F592 PolarHBondContact O-N 3.12Å; S590-E593 PolarHBondContact O-N 3.5Å; S590-A594 PolarHBondContact O-N 2.95Å; S590-A594 VanDerWaalsContact O-N 3.11Å; S590-G700 PolarHBondContact OG-N 3.43Å
591	F	93.6	Very high	89.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-43	174	-175.4	-108.3	0	0	0	112.5	T554 K578 F587 S588 E589 A595 N619 M621 I699	T554-F591 HydrophobicContact CG2-CD2 4.27Å; T554-F591 HydrophobicContact CG2-CE2 3.93Å; K578-F591 HydrophobicContact CD-CE2 4Å; K578-F591 HydrophobicContact CG-CE2 4.09Å; K578-F591 HydrophobicContact CG-CZ 4.34Å; F587-F591 PolarHBondContact O-N 3.23Å; S588-F591 WeakPolarHBondContact O-CB 3.34Å; S588-F591 PolarHBondContact O-N 3.04Å; E589-F591 PolarHBondContact O-N 3.3Å; F591-A595 PolarHBondContact O-N 3.4Å; F591-N619 HydrophobicContact CD1-CB 4.4Å; F591-N619 HydrophobicContact CE1-CB 4.47Å; F591-M621 HydrophobicContact CD2-CE 4.15Å; F591-M621 HydrophobicContact CE1-CB 3.84Å; F591-M621 HydrophobicContact CE1-CE 4.41Å; F591-M621 HydrophobicContact CE2-CB 4.33Å; F591-M621 HydrophobicContact CE2-CE 3.82Å; F591-M621 HydrophobicContact CZ-CB 3.46Å; F591-M621 VanDerWaalsContact CZ-CB 3.46Å; F591-M621 HydrophobicContact CZ-CE 3.96Å; F591-M621 WeakPolarHBondContact O-CE 3.46Å; F591-I699 HydrophobicContact CB-CD1 3.6Å; F591-I699 HydrophobicContact CD2-CD1 3.95Å; F591-I699 HydrophobicContact CG-CD1 4.25Å
592	F	91.7	Very high	89.1	Confident	25 Å²	25	44.2 Å²	44.2	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-79.1	-26.7	178.2	-68	-40.7	0	0	0	113.3	M532 F534 S588 E589 S590 A594 A595 S596 V612 V614 N619	M532-F592 HydrophobicContact CE-CB 3.78Å; M532-F592 HydrophobicContact CG-CB 4.43Å; M532-F592 HydrophobicContact SD-CB 3.31Å; M532-F592 WeakPolarHBondContact SD-CB 3.4Å; M532-F592 HydrophobicContact SD-CD2 4.36Å; M532-F592 HydrophobicContact SD-CG 4.25Å; F534-F592 HydrophobicContact CE1-CB 3.92Å; F534-F592 HydrophobicContact CE1-CD1 4.34Å; F534-F592 HydrophobicContact CE1-CG 4.29Å; F534-F592 HydrophobicContact CZ-CB 4.34Å; F534-F592 HydrophobicContact CZ-CD1 4.17Å; F534-F592 HydrophobicContact CZ-CG 4.24Å; S588-F592 WeakPolarHBondContact O-CD2 3.12Å; S588-F592 WeakPolarHBondContact O-CG 3.47Å; S588-F592 PolarHBondContact O-N 2.82Å; E589-F592 CarbonylContact O-C 3.48Å; E589-F592 PolarHBondContact O-N 3.33Å; S590-F592 PolarHBondContact O-N 3.12Å; F592-A594 VanDerWaalsContact C-N 3.33Å; F592-A595 PolarHBondContact O-N 2.97Å; F592-S596 WeakPolarHBondContact O-CB 3.49Å; F592-S596 PolarHBondContact O-N 3.12Å; F592-V612 HydrophobicContact CD1-CG1 3.71Å; F592-V612 HydrophobicContact CD1-CG2 4.26Å; F592-V612 HydrophobicContact CE1-CG1 3.24Å; F592-V612 HydrophobicContact CZ-CG1 4.14Å; F592-V614 HydrophobicContact CE1-CG2 4.18Å; F592-V614 HydrophobicContact CZ-CG2 3.66Å; F592-N619 HydrophobicContact CE1-CB 4.08Å; F592-N619 HydrophobicContact CE2-CB 4.46Å; F592-N619 HydrophobicContact CZ-CB 3.63Å; F592-N619 WeakPolarHBondContact CZ-OD1 3.47Å
593	E	89.6	Confident	89.1	Confident	59 Å²	59	39.9 Å²	39.9	28%	0.276	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-45.8	168.2	-70.7	-177.3	148.7	0	0	110.8	M532 E589 S590 A595 S596 M597	M532-E593 HydrophobicContact CE-CG 3.82Å; E589-E593 WeakPolarHBondContact O-CG 3.31Å; E589-E593 PolarHBondContact O-N 3.07Å; S590-E593 PolarHBondContact O-N 3.5Å; E593-A595 PolarHBondContact O-N 3.15Å; E593-S596 PolarHBondContact O-N 3.48Å; E593-M597 WeakPolarHBondContact O-CB 3.47Å; E593-M597 PolarHBondContact O-N 2.72Å
594	A	91.4	Very high	89	Confident	6 Å²	6	40.2 Å²	40.2	5%	0.05	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-43	175.8	0	0	0	0	0	112	S590 F592 M597 M598 M621 P697 G698	S590-A594 PolarHBondContact O-N 2.95Å; S590-A594 VanDerWaalsContact O-N 3.11Å; F592-A594 VanDerWaalsContact C-N 3.33Å; A594-M597 PolarHBondContact O-N 2.75Å; A594-M598 WeakPolarHBondContact O-CG 3.31Å; A594-M598 PolarHBondContact O-N 3.34Å; A594-M598 VanDerWaalsContact O-N 3.12Å; A594-M621 HydrophobicContact CB-CE 4.37Å; A594-P697 HydrophobicContact CB-CG 3.97Å; A594-G698 VanDerWaalsContact CB-O 3.26Å; A594-G698 WeakPolarHBondContact CB-O 3.42Å
595	A	91.7	Very high	89.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-48.6	175	0	0	0	0	0	111.4	F534 F591 F592 E593 M597 M598 S599 I609 V612 M621	F534-A595 HydrophobicContact CD1-CB 4.39Å; F591-A595 PolarHBondContact O-N 3.4Å; F592-A595 PolarHBondContact O-N 2.97Å; E593-A595 PolarHBondContact O-N 3.15Å; A595-M597 PolarHBondContact O-N 3.3Å; A595-M598 PolarHBondContact O-N 3.1Å; A595-S599 WeakPolarHBondContact O-CB 3.14Å; A595-S599 PolarHBondContact O-N 3.38Å; A595-S599 PolarHBondContact O-OG 3.01Å; A595-I609 HydrophobicContact CB-CD1 4.47Å; A595-V612 HydrophobicContact CB-CG2 3.66Å; A595-M621 HydrophobicContact CB-CE 3.81Å; A595-M621 HydrophobicContact CB-CG 4.24Å
596	S	86.9	Confident	89.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-45.6	179.9	-179.7	0	0	0	0	111.7	V533 F592 E593 Q600	V533-S596 PolarHBondContact N-OG 3.22Å; F592-S596 WeakPolarHBondContact O-CB 3.49Å; F592-S596 PolarHBondContact O-N 3.12Å; E593-S596 PolarHBondContact O-N 3.48Å; S596-Q600 WeakPolarHBondContact O-CG 3.29Å; S596-Q600 PolarHBondContact O-N 2.86Å; S596-Q600 PolarHBondContact O-NE2 3.3Å; S596-Q600 PolarHBondContact OG-NE2 3.33Å
597	M	88.4	Confident	89.7	Confident	35 Å²	35	28.2 Å²	28.2	17%	0.172	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-54.2	178.4	-179.3	-170.5	75.9	0	0	110.7	E593 A594 A595 S599 Q600 L601 V666 P697	E593-M597 WeakPolarHBondContact O-CB 3.47Å; E593-M597 PolarHBondContact O-N 2.72Å; A594-M597 PolarHBondContact O-N 2.75Å; A595-M597 PolarHBondContact O-N 3.3Å; M597-S599 PolarHBondContact O-N 3.46Å; M597-Q600 PolarHBondContact O-N 2.92Å; M597-L601 HydrophobicContact CG-CD1 4.37Å; M597-L601 WeakPolarHBondContact O-CG 3.41Å; M597-V666 HydrophobicContact CG-CG1 3.65Å; M597-V666 HydrophobicContact SD-CG1 3.46Å; M597-V666 WeakPolarHBondContact SD-CG1 3.37Å; M597-P697 HydrophobicContact CE-CG 3.71Å
598	M	89.7	Confident	89.7	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-70.2	-29.7	-176.1	-66.4	-65.1	-70.4	0	0	113	A594 A595 Q600 L601 L606 I609 D696	A594-M598 WeakPolarHBondContact O-CG 3.31Å; A594-M598 PolarHBondContact O-N 3.34Å; A594-M598 VanDerWaalsContact O-N 3.12Å; A595-M598 PolarHBondContact O-N 3.1Å; M598-Q600 PolarHBondContact O-N 3.34Å; M598-L601 PolarHBondContact O-N 3.43Å; M598-L601 HydrophobicContact SD-CD1 4.22Å; M598-L606 HydrophobicContact CE-CB 4.36Å; M598-L606 HydrophobicContact CE-CD2 4.43Å; M598-I609 HydrophobicContact CB-CD1 3.36Å; M598-I609 HydrophobicContact CB-CG1 3.78Å; M598-I609 HydrophobicContact CG-CD1 4.08Å; M598-D696 HydrophobicContact CG-CB 4.09Å
599	S	86.3	Confident	89.8	Confident	24 Å²	24	26.7 Å²	26.7	17%	0.168	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-19	173.6	-74.4	0	0	0	0	114.1	A595 M597 I609	A595-S599 WeakPolarHBondContact O-CB 3.14Å; A595-S599 PolarHBondContact O-N 3.38Å; A595-S599 PolarHBondContact O-OG 3.01Å; M597-S599 PolarHBondContact O-N 3.46Å; S599-I609 WeakPolarHBondContact OG-CG2 3.32Å
600	Q	82.6	Confident	89.8	Confident	36 Å²	36	21.6 Å²	21.6	17%	0.168	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.4	179.3	-70.7	168.9	65.3	0	0	112.8	S596 M597 M598 P929 F930	S596-Q600 WeakPolarHBondContact O-CG 3.29Å; S596-Q600 PolarHBondContact O-N 2.86Å; S596-Q600 PolarHBondContact O-NE2 3.3Å; S596-Q600 PolarHBondContact OG-NE2 3.33Å; M597-Q600 PolarHBondContact O-N 2.92Å; M598-Q600 PolarHBondContact O-N 3.34Å; Q600-P929 VanDerWaalsContact O-CG 3.27Å; Q600-P929 WeakPolarHBondContact O-CG 3.11Å; Q600-F930 HydrophobicContact CB-CE1 3.94Å; Q600-F930 HydrophobicContact CB-CE2 4.45Å; Q600-F930 HydrophobicContact CB-CZ 3.8Å; Q600-F930 HydrophobicContact CG-CD1 4.3Å; Q600-F930 HydrophobicContact CG-CE1 3.81Å; Q600-F930 HydrophobicContact CG-CZ 4.22Å
601	L	86	Confident	89.8	Confident	18 Å²	18	21.2 Å²	21.2	9%	0.094	11%	0.108	C	C	.	.			trans	-112.7	144.7	-176.2	-63	171.5	0	0	0	110.3	M597 M598 L606 Y660 L661 V666	M597-L601 HydrophobicContact CG-CD1 4.37Å; M597-L601 WeakPolarHBondContact O-CG 3.41Å; M598-L601 PolarHBondContact O-N 3.43Å; M598-L601 HydrophobicContact SD-CD1 4.22Å; L601-L606 HydrophobicContact CB-CD1 3.96Å; L601-L606 HydrophobicContact CD1-CD1 4.22Å; L601-Y660 HydrophobicContact CB-CE1 4.1Å; L601-Y660 HydrophobicContact CD2-CE1 3.81Å; L601-Y660 HydrophobicContact CG-CE1 4.46Å; L601-L661 HydrophobicContact CD1-CD2 3.46Å; L601-L661 VanDerWaalsContact CD1-CD2 3.46Å; L601-L661 HydrophobicContact CD2-CD2 4.38Å; L601-V666 HydrophobicContact CD1-CG1 4.39Å; L601-V666 HydrophobicContact CD2-CG2 4.41Å
602	S	85.9	Confident	89.8	Confident	43 Å²	43	21.3 Å²	21.3	30%	0.301	11%	0.108	S	C	.	.			trans	-140.3	105.2	177.8	-176.1	0	0	0	0	109.6	Y660	S602-Y660 PolarHBondContact N-OH 3.36Å; S602-Y660 PolarHBondContact O-OH 3.08Å
603	H	87.1	Confident	89.9	Confident	43 Å²	43	20.2 Å²	20.2	20%	0.199	10%	0.104	C	C	.	.			trans	-151.6	143.7	177.8	-179.5	-99.2	0	0	0	109.8	H605 L606 Y660	H603-H605 AromaticContact CE1-CD2 3.79Å; H603-H605 PolarHBondContact ND1-N 3.02Å; H603-H605 VanDerWaalsContact ND1-N 3.16Å; H603-H605 PolarHBondContact O-N 3.14Å; H603-H605 VanDerWaalsContact O-N 3.11Å; H603-L606 HydrophobicContact CB-CB 4.29Å; H603-L606 HydrophobicContact CB-CD1 3.89Å; H603-L606 HydrophobicContact CB-CG 3.9Å; H603-L606 PolarHBondContact O-N 2.8Å; H603-Y660 HydrophobicContact CB-CD1 3.86Å; H603-Y660 HydrophobicContact CB-CD2 4.35Å; H603-Y660 HydrophobicContact CB-CE1 4.02Å; H603-Y660 HydrophobicContact CB-CE2 4.48Å; H603-Y660 HydrophobicContact CB-CG 4.03Å
604	K	87.9	Confident	89.9	Confident	87 Å²	87	21.6 Å²	21.6	38%	0.378	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.8	-175	62.4	173.7	175.7	176.5	0	114.1	N348 F691 K693	N348-K604 PolarHBondContact ND2-NZ 3Å; K604-F691 HydrophobicContact CB-CZ 4.17Å; K604-F691 VanDerWaalsContact O-CE1 3.28Å; K604-F691 WeakPolarHBondContact O-CE1 3.4Å; K604-F691 VanDerWaalsContact O-CZ 3.32Å; K604-F691 WeakPolarHBondContact O-CZ 3.33Å; K604-K693 WeakPolarHBondContact O-CE 3.25Å
605	H	94.1	Very high	89.6	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.019	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	15.2	179.7	-60.7	-58.7	0	0	0	113.9	H603 Q653 A657 F691 I692 K693 L694	H603-H605 AromaticContact CE1-CD2 3.79Å; H603-H605 PolarHBondContact ND1-N 3.02Å; H603-H605 VanDerWaalsContact ND1-N 3.16Å; H603-H605 PolarHBondContact O-N 3.14Å; H603-H605 VanDerWaalsContact O-N 3.11Å; H605-Q653 VanDerWaalsContact CE1-CG 3.42Å; H605-Q653 WeakPolarHBondContact CE1-CG 3.04Å; H605-Q653 PolarHBondContact CE1-OE1 3.33Å; H605-Q653 VanDerWaalsContact CE1-OE1 3.22Å; H605-Q653 WeakPolarHBondContact NE2-CG 3.38Å; H605-A657 HydrophobicContact CB-CB 3.92Å; H605-F691 AromaticContact CE1-CD2 3.83Å; H605-F691 AromaticContact CE1-CE1 3.93Å; H605-F691 AromaticContact CE1-CE2 3.42Å; H605-F691 VanDerWaalsContact CE1-CE2 3.42Å; H605-F691 WeakPolarHBondContact CE1-CE2 3.4Å; H605-F691 AromaticContact CE1-CZ 3.49Å; H605-F691 VanDerWaalsContact CE1-CZ 3.49Å; H605-F691 WeakPolarHBondContact CE1-CZ 3.41Å; H605-F691 AromaticContact ND1-CE1 3.63Å; H605-F691 AromaticContact ND1-CE2 3.97Å; H605-F691 AromaticContact ND1-CZ 3.57Å; H605-I692 PolarHBondContact ND1-O 3.42Å; H605-K693 CarbonylContact O-C 3.57Å; H605-K693 WeakPolarHBondContact O-CA 3.41Å; H605-L694 PolarHBondContact O-N 2.95Å
606	L	94.3	Very high	89.2	Confident	10 Å²	10	26.5 Å²	26.5	5%	0.052	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-105.4	139.2	167.4	-66.1	-179.2	0	0	0	109.3	M598 L601 H603 A657 Y660 L661 L694	M598-L606 HydrophobicContact CE-CB 4.36Å; M598-L606 HydrophobicContact CE-CD2 4.43Å; L601-L606 HydrophobicContact CB-CD1 3.96Å; L601-L606 HydrophobicContact CD1-CD1 4.22Å; H603-L606 HydrophobicContact CB-CB 4.29Å; H603-L606 HydrophobicContact CB-CD1 3.89Å; H603-L606 HydrophobicContact CB-CG 3.9Å; H603-L606 PolarHBondContact O-N 2.8Å; L606-A657 HydrophobicContact CD2-CB 4.07Å; L606-Y660 HydrophobicContact CD1-CD1 3.78Å; L606-Y660 HydrophobicContact CD1-CE1 3.84Å; L606-L661 HydrophobicContact CD1-CD2 3.96Å; L606-L661 HydrophobicContact CD2-CD1 4.44Å; L606-L694 HydrophobicContact CD2-CB 4.04Å; L606-L694 HydrophobicContact CD2-CD2 4.11Å; L606-L694 HydrophobicContact CD2-CG 4.48Å
607	L	93.4	Very high	88.9	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.026	18%	0.182	C	C	.	.			trans	-71.4	131.5	179.3	-164.4	73.1	0	0	0	110	I609 Q623 E624 L677 K693 L694 S695	L607-I609 PolarHBondContact O-N 3.25Å; L607-Q623 HydrophobicContact CD2-CB 4.18Å; L607-Q623 HydrophobicContact CD2-CG 4.05Å; L607-E624 HydrophobicContact CD1-CB 3.72Å; L607-E624 HydrophobicContact CD1-CG 3.97Å; L607-E624 HydrophobicContact CG-CB 3.99Å; L607-L677 HydrophobicContact CD1-CD1 3.94Å; L607-L677 HydrophobicContact CD2-CD1 3.72Å; L607-L677 HydrophobicContact CG-CD1 4.48Å; L607-K693 HydrophobicContact CB-CB 4.38Å; L607-K693 HydrophobicContact CD1-CB 4.08Å; L607-K693 HydrophobicContact CD1-CD 4.25Å; L607-L694 VanDerWaalsContact CB-O 3.31Å; L607-L694 WeakPolarHBondContact CB-O 3.49Å; L607-L694 PolarHBondContact N-O 3.39Å; L607-S695 WeakPolarHBondContact CD2-OG 3.45Å
608	L	91.4	Very high	88.8	Confident	25 Å²	25	31.7 Å²	31.7	13%	0.131	19%	0.186	C	C	.	.			trans	-75.2	129.2	-178.8	-176.6	62.7	0	0	0	111.4	Y610 Q623 E624 L848 M861 V874	L608-Y610 HydrophobicContact CD2-CD1 3.97Å; L608-Y610 HydrophobicContact CD2-CE1 3.4Å; L608-Y610 HydrophobicContact CG-CD1 4.28Å; L608-Y610 HydrophobicContact CG-CE1 4.04Å; L608-Q623 CarbonylContact O-C 3.57Å; L608-Q623 WeakPolarHBondContact O-CA 3.33Å; L608-E624 HydrophobicContact CB-CB 4.23Å; L608-E624 PolarHBondContact N-OE2 3.04Å; L608-E624 PolarHBondContact O-N 3.32Å; L608-L848 HydrophobicContact CD2-CD1 3.84Å; L608-M861 HydrophobicContact CD1-CE 3.8Å; L608-M861 HydrophobicContact CD2-CE 3.66Å; L608-M861 HydrophobicContact CG-CE 4.35Å; L608-V874 HydrophobicContact CD2-CG2 4.44Å
609	I	92.1	Very high	88.9	Confident	10 Å²	10	31.9 Å²	31.9	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.6	167.4	-61	-164.8	0	0	0	109.4	A595 M598 S599 L607 M621 D696	A595-I609 HydrophobicContact CB-CD1 4.47Å; M598-I609 HydrophobicContact CB-CD1 3.36Å; M598-I609 HydrophobicContact CB-CG1 3.78Å; M598-I609 HydrophobicContact CG-CD1 4.08Å; S599-I609 WeakPolarHBondContact OG-CG2 3.32Å; L607-I609 PolarHBondContact O-N 3.25Å; I609-M621 HydrophobicContact CD1-CG 4.12Å; I609-M621 HydrophobicContact CD1-SD 3.68Å; I609-M621 HydrophobicContact CG2-CG 4.27Å; I609-D696 HydrophobicContact CD1-CB 4.27Å
610	Y	90.8	Very high	89.4	Confident	13 Å²	13	30.8 Å²	30.8	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-32.6	179.5	-70.3	-52.9	0	0	0	112.8	L573 V575 L608 V622 E624 L848 R863	L573-Y610 HydrophobicContact CD2-CD1 4.15Å; L573-Y610 HydrophobicContact CD2-CD2 4.29Å; L573-Y610 HydrophobicContact CD2-CE1 3.52Å; L573-Y610 HydrophobicContact CD2-CE2 3.68Å; L573-Y610 WeakPolarHBondContact CD2-OH 3.46Å; L573-Y610 HydrophobicContact CG-CE2 4.47Å; V575-Y610 HydrophobicContact CG1-CD2 3.67Å; V575-Y610 HydrophobicContact CG1-CE2 3.74Å; L608-Y610 HydrophobicContact CD2-CD1 3.97Å; L608-Y610 HydrophobicContact CD2-CE1 3.4Å; L608-Y610 HydrophobicContact CG-CD1 4.28Å; L608-Y610 HydrophobicContact CG-CE1 4.04Å; Y610-V622 WeakPolarHBondContact CB-O 3.4Å; Y610-V622 HydrophobicContact CD2-CG1 4.34Å; Y610-V622 PolarHBondContact N-O 2.8Å; Y610-E624 HydrophobicContact CE2-CB 4.2Å; Y610-L848 HydrophobicContact CE1-CD2 4.21Å; Y610-R863 PolarHBondContact OH-NH2 2.76Å; Y610-R863 VanDerWaalsContact OH-NH2 3.08Å
611	G	90.9	Very high	90	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-167.5	178.7	0	0	0	0	0	112.7	H535 V622	H535-G611 CarbonylContact O-C 3.42Å; H535-G611 WeakPolarHBondContact O-CA 3.25Å; G611-V622 PolarHBondContact N-O 2.89Å; G611-V622 PolarHBondContact O-N 3.41Å
612	V	93.7	Very high	90.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.5	-176.7	172.9	0	0	0	0	109.3	F534 H535 K536 I537 F592 A595 V614 M620	F534-V612 HydrophobicContact CB-CG2 4.2Å; F534-V612 HydrophobicContact CD1-CG2 4.03Å; F534-V612 HydrophobicContact CD2-CB 3.52Å; F534-V612 HydrophobicContact CD2-CG1 4.32Å; F534-V612 HydrophobicContact CD2-CG2 3.57Å; F534-V612 HydrophobicContact CE1-CG2 4.28Å; F534-V612 HydrophobicContact CE2-CB 3.59Å; F534-V612 HydrophobicContact CE2-CG1 3.88Å; F534-V612 HydrophobicContact CE2-CG2 3.86Å; F534-V612 HydrophobicContact CG-CB 4.16Å; F534-V612 HydrophobicContact CG-CG2 3.66Å; F534-V612 HydrophobicContact CZ-CB 4.28Å; F534-V612 HydrophobicContact CZ-CG1 4.27Å; F534-V612 HydrophobicContact CZ-CG2 4.2Å; H535-V612 PolarHBondContact O-N 3.41Å; K536-V612 WeakPolarHBondContact CA-O 3.38Å; I537-V612 PolarHBondContact N-O 2.88Å; F592-V612 HydrophobicContact CD1-CG1 3.71Å; F592-V612 HydrophobicContact CD1-CG2 4.26Å; F592-V612 HydrophobicContact CE1-CG1 3.24Å; F592-V612 HydrophobicContact CZ-CG1 4.14Å; A595-V612 HydrophobicContact CB-CG2 3.66Å; V612-V614 HydrophobicContact CG1-CG2 3.93Å; V612-M620 CarbonylContact C-O 3.52Å; V612-M620 VanDerWaalsContact CA-O 3.3Å; V612-M620 WeakPolarHBondContact CA-O 3.2Å; V612-M620 WeakPolarHBondContact CG1-O 3.33Å
613	C	93.9	Very high	90.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.8	170.5	176.1	0	0	0	0	109	I537 L542 M620	I537-C613 HydrophobicContact CB-CB 4.42Å; I537-C613 WeakPolarHBondContact O-CA 3.27Å; I537-C613 WeakPolarHBondContact O-CB 3.42Å; I537-C613 PolarHBondContact O-SG 3.12Å; L542-C613 HydrophobicContact CD1-CB 3.87Å; C613-M620 HydrophobicContact CB-CB 4.19Å; C613-M620 HydrophobicContact CB-SD 4.49Å; C613-M620 PolarHBondContact N-O 3.34Å; C613-M620 WeakPolarHBondContact O-CB 3.47Å; C613-M620 PolarHBondContact O-N 2.87Å
614	V	89.8	Confident	91.1	Very high	87 Å²	87	24.4 Å²	24.4	53%	0.527	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.4	175.6	-175.4	0	0	0	0	107.6	F592 V612	F592-V614 HydrophobicContact CE1-CG2 4.18Å; F592-V614 HydrophobicContact CZ-CG2 3.66Å; V612-V614 HydrophobicContact CG1-CG2 3.93Å
615	C	85.4	Confident	91.3	Very high	48 Å²	48	22.4 Å²	22.4	32%	0.324	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	105.2	-179.7	-174.5	0	0	0	0	110.5	K539 D617 E618	K539-C615 HydrophobicContact CB-CB 4.36Å; K539-C615 HydrophobicContact CD-CB 3.6Å; K539-C615 WeakPolarHBondContact CD-SG 3.41Å; C615-D617 PolarHBondContact O-N 2.92Å; C615-D617 VanDerWaalsContact O-N 3.11Å; C615-E618 PolarHBondContact N-O 2.75Å; C615-E618 VanDerWaalsContact N-O 3.07Å; C615-E618 PolarHBondContact O-N 3.49Å
616	G	83.3	Confident	91.1	Very high	62 Å²	62	22.5 Å²	22.5	64%	0.639	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	-113	-172.7	0	0	0	0	0	110.8
617	D	79.7	Confident	90.8	Very high	90 Å²	90	28.6 Å²	28.6	48%	0.481	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	0.5	-179	-59.8	-22	0	0	0	113.4	R585 C615	R585-D617 IonicContact CZ-OD1 2.7Å; R585-D617 IonicContact NH1-OD1 3.67Å; R585-D617 PolarHBondContact NH1-OD1 2.96Å; R585-D617 IonicContact NH1-OD2 3.95Å; R585-D617 IonicContact NH2-OD1 3.61Å; R585-D617 PolarHBondContact NH2-OD1 3.5Å; C615-D617 PolarHBondContact O-N 2.92Å; C615-D617 VanDerWaalsContact O-N 3.11Å
618	E	86	Confident	90.7	Very high	53 Å²	53	31.6 Å²	31.6	25%	0.248	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.7	-179	-60.6	-179.2	157	0	0	110.4	K539 K582 C615 M620	K539-E618 IonicContact NZ-OE2 3.88Å; K539-E618 PolarHBondContact NZ-OE2 3.43Å; K582-E618 IonicContact NZ-OE1 3.02Å; C615-E618 PolarHBondContact N-O 2.75Å; C615-E618 VanDerWaalsContact N-O 3.07Å; C615-E618 PolarHBondContact O-N 3.49Å; E618-M620 HydrophobicContact CB-CE 3.59Å; E618-M620 HydrophobicContact CG-CE 4.29Å; E618-M620 WeakPolarHBondContact OE2-CE 3.21Å
619	N	93.3	Very high	90.7	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.2	173.7	-61	-41.6	0	0	0	109	L580 S588 F591 F592	L580-N619 HydrophobicContact CB-CB 4.17Å; L580-N619 HydrophobicContact CD2-CB 4.48Å; L580-N619 PolarHBondContact N-O 2.96Å; S588-N619 VanDerWaalsContact CB-ND2 3.32Å; S588-N619 WeakPolarHBondContact CB-ND2 3.42Å; F591-N619 HydrophobicContact CD1-CB 4.4Å; F591-N619 HydrophobicContact CE1-CB 4.47Å; F592-N619 HydrophobicContact CE1-CB 4.08Å; F592-N619 HydrophobicContact CE2-CB 4.46Å; F592-N619 HydrophobicContact CZ-CB 3.63Å; F592-N619 WeakPolarHBondContact CZ-OD1 3.47Å
620	M	95	Very high	90.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.8	-172.9	-49.9	179.1	-177.4	0	0	111.3	F544 V577 K578 I579 V612 C613 E618	F544-M620 HydrophobicContact CE1-SD 4.4Å; F544-M620 HydrophobicContact CZ-CE 4.06Å; F544-M620 HydrophobicContact CZ-SD 3.7Å; V577-M620 HydrophobicContact CG1-CB 4.03Å; V577-M620 HydrophobicContact CG1-SD 4.35Å; K578-M620 CarbonylContact O-C 3.39Å; K578-M620 WeakPolarHBondContact O-CA 3.16Å; I579-M620 HydrophobicContact CD1-CE 4.44Å; I579-M620 HydrophobicContact CG1-CG 4.13Å; I579-M620 HydrophobicContact CG2-CG 4.34Å; V612-M620 CarbonylContact C-O 3.52Å; V612-M620 VanDerWaalsContact CA-O 3.3Å; V612-M620 WeakPolarHBondContact CA-O 3.2Å; V612-M620 WeakPolarHBondContact CG1-O 3.33Å; C613-M620 HydrophobicContact CB-CB 4.19Å; C613-M620 HydrophobicContact CB-SD 4.49Å; C613-M620 PolarHBondContact N-O 3.34Å; C613-M620 WeakPolarHBondContact O-CB 3.47Å; C613-M620 PolarHBondContact O-N 2.87Å; E618-M620 HydrophobicContact CB-CE 3.59Å; E618-M620 HydrophobicContact CG-CE 4.29Å; E618-M620 WeakPolarHBondContact OE2-CE 3.21Å
621	M	95.3	Very high	91	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.5	171.3	-176.9	-164.9	-64.8	0	0	108.3	K578 F591 A594 A595 I609 D696	K578-M621 HydrophobicContact CB-CB 4.42Å; K578-M621 PolarHBondContact N-O 3.03Å; K578-M621 PolarHBondContact O-N 3.02Å; F591-M621 HydrophobicContact CD2-CE 4.15Å; F591-M621 HydrophobicContact CE1-CB 3.84Å; F591-M621 HydrophobicContact CE1-CE 4.41Å; F591-M621 HydrophobicContact CE2-CB 4.33Å; F591-M621 HydrophobicContact CE2-CE 3.82Å; F591-M621 HydrophobicContact CZ-CB 3.46Å; F591-M621 VanDerWaalsContact CZ-CB 3.46Å; F591-M621 HydrophobicContact CZ-CE 3.96Å; F591-M621 WeakPolarHBondContact O-CE 3.46Å; A594-M621 HydrophobicContact CB-CE 4.37Å; A595-M621 HydrophobicContact CB-CE 3.81Å; A595-M621 HydrophobicContact CB-CG 4.24Å; I609-M621 HydrophobicContact CD1-CG 4.12Å; I609-M621 HydrophobicContact CD1-SD 3.68Å; I609-M621 HydrophobicContact CG2-CG 4.27Å; M621-D696 HydrophobicContact SD-CB 4.08Å
622	V	95.4	Very high	91.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.7	-178.9	-172.2	0	0	0	0	108.1	I537 L542 V575 Y610 G611	I537-V622 HydrophobicContact CD1-CB 3.67Å; I537-V622 HydrophobicContact CD1-CG1 4.09Å; I537-V622 HydrophobicContact CD1-CG2 3.77Å; L542-V622 HydrophobicContact CD1-CG2 3.8Å; L542-V622 HydrophobicContact CD2-CG1 4.12Å; L542-V622 HydrophobicContact CD2-CG2 4.03Å; V575-V622 HydrophobicContact CB-CG1 3.77Å; V575-V622 HydrophobicContact CG1-CG1 3.87Å; V575-V622 HydrophobicContact CG2-CG1 3.88Å; Y610-V622 WeakPolarHBondContact CB-O 3.4Å; Y610-V622 HydrophobicContact CD2-CG1 4.34Å; Y610-V622 PolarHBondContact N-O 2.8Å; G611-V622 PolarHBondContact N-O 2.89Å; G611-V622 PolarHBondContact O-N 3.41Å
623	Q	94.6	Very high	91.1	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	166.3	-172.5	67.9	-170.2	40.7	0	0	111.6	V575 A576 L607 L608 D696	V575-Q623 WeakPolarHBondContact CA-O 3.42Å; A576-Q623 HydrophobicContact CB-CG 3.82Å; A576-Q623 PolarHBondContact N-O 3.41Å; A576-Q623 WeakPolarHBondContact O-CG 3.23Å; A576-Q623 PolarHBondContact O-N 2.98Å; L607-Q623 HydrophobicContact CD2-CB 4.18Å; L607-Q623 HydrophobicContact CD2-CG 4.05Å; L608-Q623 CarbonylContact O-C 3.57Å; L608-Q623 WeakPolarHBondContact O-CA 3.33Å; Q623-D696 PolarHBondContact OE1-OD2 3.41Å
624	E	92.4	Very high	91.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.9	173.9	178.1	174.1	-160.1	0	0	112.2	L607 L608 Y610 K693 R863	L607-E624 HydrophobicContact CD1-CB 3.72Å; L607-E624 HydrophobicContact CD1-CG 3.97Å; L607-E624 HydrophobicContact CG-CB 3.99Å; L608-E624 HydrophobicContact CB-CB 4.23Å; L608-E624 PolarHBondContact N-OE2 3.04Å; L608-E624 PolarHBondContact O-N 3.32Å; Y610-E624 HydrophobicContact CE2-CB 4.2Å; E624-K693 IonicContact OE1-NZ 2.6Å; E624-K693 PolarHBondContact OE1-NZ 2.93Å; E624-K693 WeakPolarHBondContact OE2-CD 3.46Å; E624-K693 IonicContact OE2-NZ 3.92Å; E624-K693 PolarHBondContact OE2-NZ 3.27Å; E624-R863 IonicContact OE1-CZ 3.99Å; E624-R863 IonicContact OE1-NE 3.09Å; E624-R863 IonicContact OE1-NH1 3.21Å; E624-R863 IonicContact OE1-NH2 3.95Å; E624-R863 PolarHBondContact OE1-NH2 2.82Å; E624-R863 IonicContact OE2-NH2 3.01Å
625	Y	91.9	Very high	91.3	Very high	46 Å²	46	33.2 Å²	33.2	18%	0.18	19%	0.188	C	C	.	.			trans	-85	119.9	179.1	176.8	-112.9	0	0	0	111.4	L548 R558 A576 K627	L548-Y625 HydrophobicContact CD1-CD2 4.08Å; L548-Y625 HydrophobicContact CD1-CE2 3.81Å; L548-Y625 HydrophobicContact CD2-CE2 4.12Å; R558-Y625 HydrophobicContact CG-CD2 4.25Å; R558-Y625 HydrophobicContact CG-CE2 4.08Å; A576-Y625 HydrophobicContact CB-CD2 4.47Å; Y625-K627 PolarHBondContact O-N 2.94Å
626	G	90.4	Very high	91.6	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	19%	0.193	C	C	.	.			trans	-86.2	104.9	174.7	0	0	0	0	0	112.1	F628 G629	G626-F628 VanDerWaalsContact C-N 3.3Å; G626-F628 PolarHBondContact O-N 3.35Å; G626-F628 VanDerWaalsContact O-N 3.16Å; G626-G629 PolarHBondContact O-N 3.4Å
627	K	88.1	Confident	92	Very high	138 Å²	138	40.4 Å²	40.4	60%	0.6	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-40	-172.2	-177.2	175.9	178.3	178.9	0	114.8	Y625	Y625-K627 PolarHBondContact O-N 2.94Å
628	F	91.3	Very high	92.3	Very high	67 Å²	67	40.3 Å²	40.3	29%	0.294	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	4.5	-176.1	-60.3	-86.2	0	0	0	113.5	G626 Y634 L678 I679 E681	G626-F628 VanDerWaalsContact C-N 3.3Å; G626-F628 PolarHBondContact O-N 3.35Å; G626-F628 VanDerWaalsContact O-N 3.16Å; F628-Y634 HydrophobicContact CB-CD2 4.5Å; F628-L678 HydrophobicContact CB-CB 3.96Å; F628-L678 HydrophobicContact CB-CD2 3.94Å; F628-L678 HydrophobicContact CB-CG 4.09Å; F628-L678 WeakPolarHBondContact CB-O 3.46Å; F628-L678 HydrophobicContact CD2-CG 4.42Å; F628-L678 HydrophobicContact CG-CD2 4.28Å; F628-L678 HydrophobicContact CG-CG 4.49Å; F628-L678 PolarHBondContact N-O 2.68Å; F628-I679 VanDerWaalsContact CD2-O 3.31Å; F628-I679 WeakPolarHBondContact CD2-O 3.34Å; F628-I679 VanDerWaalsContact CE2-O 3.24Å; F628-I679 WeakPolarHBondContact CE2-O 3.26Å; F628-E681 HydrophobicContact CD1-CG 3.86Å; F628-E681 WeakPolarHBondContact CD1-OE1 3.13Å; F628-E681 HydrophobicContact CD2-CG 4.38Å; F628-E681 VanDerWaalsContact CE1-CD 3.44Å; F628-E681 HydrophobicContact CE1-CG 3.62Å; F628-E681 WeakPolarHBondContact CE1-OE1 3.25Å; F628-E681 HydrophobicContact CE2-CG 4.17Å; F628-E681 HydrophobicContact CG-CG 4.24Å; F628-E681 HydrophobicContact CZ-CB 4.36Å; F628-E681 HydrophobicContact CZ-CG 3.78Å
629	G	91.9	Very high	91.9	Very high	30 Å²	30	42.5 Å²	42.5	31%	0.309	20%	0.2	S	C	.	.			trans	72.6	-158.9	179.6	0	0	0	0	0	113.6	G626 L677 L678	G626-G629 PolarHBondContact O-N 3.4Å; G629-L677 WeakPolarHBondContact O-CA 3.45Å; G629-L678 PolarHBondContact O-N 3.28Å
630	S	94.4	Very high	90.9	Very high	17 Å²	17	49.9 Å²	49.9	12%	0.119	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-76.3	145.3	-176	64	0	0	0	0	113	D632 I633 Y634 K674 I676	S630-D632 VanDerWaalsContact C-N 3.33Å; S630-D632 WeakPolarHBondContact CB-OD1 3.43Å; S630-D632 PolarHBondContact O-N 2.98Å; S630-D632 PolarHBondContact OG-OD1 3.05Å; S630-I633 PolarHBondContact O-N 3.06Å; S630-I633 WeakPolarHBondContact OG-CD1 3.42Å; S630-I633 WeakPolarHBondContact OG-CG1 3.5Å; S630-Y634 PolarHBondContact O-N 2.89Å; S630-K674 VanDerWaalsContact CB-O 3.26Å; S630-K674 WeakPolarHBondContact CB-O 3.35Å; S630-I676 CarbonylContact C-O 3.57Å; S630-I676 WeakPolarHBondContact CA-O 3.46Å
631	L	95.4	Very high	90	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-35.8	-173.1	179.7	64.2	0	0	0	112.3	Y634 L635 W646 V650 A673 I676 I743	L631-Y634 PolarHBondContact O-N 3.1Å; L631-L635 HydrophobicContact CD1-CD1 4.11Å; L631-L635 HydrophobicContact CD1-CG 3.98Å; L631-L635 HydrophobicContact CG-CD1 3.89Å; L631-L635 HydrophobicContact CG-CG 4.22Å; L631-L635 WeakPolarHBondContact O-CB 3.48Å; L631-L635 VanDerWaalsContact O-CG 3.27Å; L631-L635 WeakPolarHBondContact O-CG 3.47Å; L631-L635 PolarHBondContact O-N 3.13Å; L631-W646 HydrophobicContact CD1-CH2 3.56Å; L631-W646 HydrophobicContact CD1-CZ3 3.96Å; L631-V650 HydrophobicContact CD1-CG1 4.5Å; L631-V650 HydrophobicContact CD2-CG1 3.64Å; L631-A673 HydrophobicContact CB-CB 4.21Å; L631-A673 WeakPolarHBondContact CB-O 3.5Å; L631-A673 HydrophobicContact CD2-CB 4.3Å; L631-A673 HydrophobicContact CG-CB 4.33Å; L631-A673 PolarHBondContact N-O 3.08Å; L631-I676 HydrophobicContact CB-CB 4.02Å; L631-I676 HydrophobicContact CB-CG2 4.09Å; L631-I676 WeakPolarHBondContact CB-O 3.42Å; L631-I676 HydrophobicContact CD2-CB 4.1Å; L631-I676 HydrophobicContact CD2-CD1 4.27Å; L631-I676 HydrophobicContact CD2-CG2 3.78Å; L631-I676 PolarHBondContact N-O 2.88Å; L631-I743 HydrophobicContact CD2-CD1 4.07Å; L631-I743 HydrophobicContact CD2-CG1 3.92Å
632	D	93.4	Very high	89.4	Confident	19 Å²	19	54.7 Å²	54.7	10%	0.102	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-46.5	176.8	68.8	-42.8	0	0	0	112.2	S630 K636 A673 K674	S630-D632 VanDerWaalsContact C-N 3.33Å; S630-D632 WeakPolarHBondContact CB-OD1 3.43Å; S630-D632 PolarHBondContact O-N 2.98Å; S630-D632 PolarHBondContact OG-OD1 3.05Å; D632-K636 WeakPolarHBondContact O-CG 3.43Å; D632-K636 PolarHBondContact O-N 3Å; D632-A673 HydrophobicContact CB-CB 3.95Å; D632-A673 PolarHBondContact N-O 3.23Å; D632-K674 WeakPolarHBondContact OD1-CA 3.32Å
633	I	92.6	Very high	88.9	Confident	81 Å²	81	57.3 Å²	57.3	42%	0.415	29%	0.286	S	S	.	.	H	α-helix	trans	-67.6	-41.5	177.7	-64.3	176.2	0	0	0	109.9	S630 K636 K637	S630-I633 PolarHBondContact O-N 3.06Å; S630-I633 WeakPolarHBondContact OG-CD1 3.42Å; S630-I633 WeakPolarHBondContact OG-CG1 3.5Å; I633-K636 PolarHBondContact O-N 3.33Å; I633-K637 HydrophobicContact CG2-CD 3.99Å; I633-K637 WeakPolarHBondContact O-CG 3.49Å; I633-K637 PolarHBondContact O-N 3.13Å; I633-K637 VanDerWaalsContact O-N 3.09Å
634	Y	93.8	Very high	88.3	Confident	26 Å²	26	59.5 Å²	59.5	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-51.2	178.9	-176.9	-94.1	0	0	0	111.9	F628 S630 L631 K636 K637 K638 V642 W646 L678 E681	F628-Y634 HydrophobicContact CB-CD2 4.5Å; S630-Y634 PolarHBondContact O-N 2.89Å; L631-Y634 PolarHBondContact O-N 3.1Å; Y634-K636 VanDerWaalsContact C-N 3.34Å; Y634-K636 PolarHBondContact O-N 2.81Å; Y634-K637 PolarHBondContact O-N 2.92Å; Y634-K637 VanDerWaalsContact O-N 3.15Å; Y634-K638 HydrophobicContact CD2-CG 4.48Å; Y634-K638 HydrophobicContact CE1-CB 4.23Å; Y634-K638 HydrophobicContact CE1-CG 4.31Å; Y634-K638 HydrophobicContact CE2-CG 3.96Å; Y634-K638 WeakPolarHBondContact O-CB 3.43Å; Y634-K638 PolarHBondContact O-N 3.17Å; Y634-V642 HydrophobicContact CE1-CG2 4.13Å; Y634-W646 HydrophobicContact CD1-CH2 4.13Å; Y634-W646 HydrophobicContact CD1-CZ2 4.32Å; Y634-W646 HydrophobicContact CE1-CH2 4.05Å; Y634-W646 AromaticContact CE1-CZ2 3.82Å; Y634-W646 HydrophobicContact CE1-CZ2 3.82Å; Y634-L678 HydrophobicContact CD1-CD2 3.76Å; Y634-L678 HydrophobicContact CD2-CD2 3.64Å; Y634-L678 HydrophobicContact CE1-CD2 3.68Å; Y634-L678 HydrophobicContact CE2-CD2 3.58Å; Y634-L678 HydrophobicContact CG-CD2 3.73Å; Y634-E681 HydrophobicContact CE2-CG 4.1Å; Y634-E681 WeakPolarHBondContact CE2-OE1 3.44Å; Y634-E681 WeakPolarHBondContact OH-CG 3.44Å; Y634-E681 PolarHBondContact OH-OE1 3.37Å
635	L	92.9	Very high	87.8	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-40.9	-179.9	-72.8	172.3	0	0	0	112.1	L631 K637 K638 K639 V642 W646 I743 G746	L631-L635 HydrophobicContact CD1-CD1 4.11Å; L631-L635 HydrophobicContact CD1-CG 3.98Å; L631-L635 HydrophobicContact CG-CD1 3.89Å; L631-L635 HydrophobicContact CG-CG 4.22Å; L631-L635 WeakPolarHBondContact O-CB 3.48Å; L631-L635 VanDerWaalsContact O-CG 3.27Å; L631-L635 WeakPolarHBondContact O-CG 3.47Å; L631-L635 PolarHBondContact O-N 3.13Å; L635-K637 PolarHBondContact O-N 3.09Å; L635-K638 CarbonylContact O-C 3.59Å; L635-K638 PolarHBondContact O-N 2.95Å; L635-K639 VanDerWaalsContact O-CA 3.28Å; L635-K639 WeakPolarHBondContact O-CA 3.2Å; L635-K639 PolarHBondContact O-N 2.81Å; L635-V642 HydrophobicContact CD2-CB 4.45Å; L635-V642 HydrophobicContact CD2-CG1 4.01Å; L635-V642 HydrophobicContact CD2-CG2 4.35Å; L635-W646 HydrophobicContact CD2-CH2 4.39Å; L635-W646 HydrophobicContact CD2-CZ3 3.81Å; L635-I743 HydrophobicContact CD1-CB 4.42Å; L635-I743 HydrophobicContact CD1-CG1 4.34Å; L635-I743 HydrophobicContact CD1-CG2 4.5Å; L635-G746 CarbonylContact C-O 3.56Å
636	K	91.9	Very high	87.6	Confident	96 Å²	96	60.6 Å²	60.6	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-43.3	174.8	-72.9	173.3	-167.9	170.2	0	112.1	D632 I633 Y634 G746 G747	D632-K636 WeakPolarHBondContact O-CG 3.43Å; D632-K636 PolarHBondContact O-N 3Å; I633-K636 PolarHBondContact O-N 3.33Å; Y634-K636 VanDerWaalsContact C-N 3.34Å; Y634-K636 PolarHBondContact O-N 2.81Å; K636-G746 PolarHBondContact N-O 3.3Å; K636-G747 WeakPolarHBondContact CE-O 3.4Å
637	K	91.9	Very high	87.6	Confident	164 Å²	164	61.9 Å²	61.9	71%	0.713	31%	0.312	S	S	*	.	H	α-helix	trans	-70.7	-32.5	-179.8	-73.4	177.2	179.3	177.4	0	113	I633 Y634 L635	I633-K637 HydrophobicContact CG2-CD 3.99Å; I633-K637 WeakPolarHBondContact O-CG 3.49Å; I633-K637 PolarHBondContact O-N 3.13Å; I633-K637 VanDerWaalsContact O-N 3.09Å; Y634-K637 PolarHBondContact O-N 2.92Å; Y634-K637 VanDerWaalsContact O-N 3.15Å; L635-K637 PolarHBondContact O-N 3.09Å
638	K	86.6	Confident	87.5	Confident	88 Å²	88	55.8 Å²	55.8	38%	0.383	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	24	-172.3	-64.9	-70.8	-168.4	167.9	0	113.5	Y634 L635 N640 C641 V642	Y634-K638 HydrophobicContact CD2-CG 4.48Å; Y634-K638 HydrophobicContact CE1-CB 4.23Å; Y634-K638 HydrophobicContact CE1-CG 4.31Å; Y634-K638 HydrophobicContact CE2-CG 3.96Å; Y634-K638 WeakPolarHBondContact O-CB 3.43Å; Y634-K638 PolarHBondContact O-N 3.17Å; L635-K638 CarbonylContact O-C 3.59Å; L635-K638 PolarHBondContact O-N 2.95Å; K638-N640 PolarHBondContact O-N 2.77Å; K638-C641 PolarHBondContact O-N 3.36Å; K638-V642 HydrophobicContact CB-CG2 4.17Å; K638-V642 PolarHBondContact O-N 2.7Å
639	K	76.9	Confident	87.3	Confident	100 Å²	100	54.5 Å²	54.5	44%	0.435	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-36.1	-172.1	-165.7	171.2	-173	169	0	114.5	L635 E748	L635-K639 VanDerWaalsContact O-CA 3.28Å; L635-K639 WeakPolarHBondContact O-CA 3.2Å; L635-K639 PolarHBondContact O-N 2.81Å; K639-E748 IonicContact NZ-OE1 3.79Å; K639-E748 PolarHBondContact NZ-OE1 3.42Å
640	N	73.9	Confident	87.4	Confident	162 Å²	162	53.1 Å²	53.1	87%	0.866	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.6	-178.2	-61.1	-15.9	0	0	0	114.2	K638	K638-N640 PolarHBondContact O-N 2.77Å
641	C	74.9	Confident	87.3	Confident	89 Å²	89	52.3 Å²	52.3	60%	0.601	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-15.6	-176.4	-58.5	0	0	0	0	112.9	K638	K638-C641 PolarHBondContact O-N 3.36Å
642	V	83.8	Confident	87.1	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.085	27%	0.267	C	S	.	.			trans	-97	110.2	-175.7	177.4	0	0	0	0	110	Y634 L635 K638 W646 K647	Y634-V642 HydrophobicContact CE1-CG2 4.13Å; L635-V642 HydrophobicContact CD2-CB 4.45Å; L635-V642 HydrophobicContact CD2-CG1 4.01Å; L635-V642 HydrophobicContact CD2-CG2 4.35Å; K638-V642 HydrophobicContact CB-CG2 4.17Å; K638-V642 PolarHBondContact O-N 2.7Å; V642-W646 HydrophobicContact CG1-CB 4.05Å; V642-W646 HydrophobicContact CG1-CD2 3.58Å; V642-W646 HydrophobicContact CG1-CE3 3.24Å; V642-W646 HydrophobicContact CG1-CG 3.93Å; V642-W646 HydrophobicContact CG1-CZ3 3.93Å; V642-K647 HydrophobicContact CG1-CG 3.82Å
643	N	83.6	Confident	87.1	Confident	54 Å²	54	53.3 Å²	53.3	29%	0.289	26%	0.264	S	S	.	.			trans	-82.5	178.7	177.9	68.2	15.6	0	0	0	112	T645 W646 K647	N643-T645 PolarHBondContact OD1-N 2.72Å; N643-W646 VanDerWaalsContact OD1-CB 3.23Å; N643-W646 WeakPolarHBondContact OD1-CB 3.5Å; N643-W646 PolarHBondContact OD1-N 2.86Å; N643-K647 WeakPolarHBondContact O-CG 3.35Å; N643-K647 PolarHBondContact O-N 3.33Å
644	I	81.8	Confident	87.3	Confident	49 Å²	49	49.5 Å²	49.5	25%	0.251	25%	0.245	S	C	.	.	H	α-helix	trans	-69.4	-38.9	-178.5	-167	59.6	0	0	0	112.7	W646 K647 L648 W774	I644-W646 VanDerWaalsContact C-N 3.29Å; I644-W646 PolarHBondContact O-N 3.33Å; I644-K647 HydrophobicContact CD1-CD 4.4Å; I644-K647 WeakPolarHBondContact O-CB 3.35Å; I644-K647 PolarHBondContact O-N 3.48Å; I644-K647 VanDerWaalsContact O-N 3.11Å; I644-L648 HydrophobicContact CG1-CD1 4.41Å; I644-L648 WeakPolarHBondContact O-CB 3.5Å; I644-L648 PolarHBondContact O-N 3.35Å; I644-W774 HydrophobicContact CD1-CE3 3.67Å; I644-W774 HydrophobicContact CD1-CZ3 3.81Å; I644-W774 HydrophobicContact CG1-CE3 3.99Å; I644-W774 HydrophobicContact CG1-CZ3 3.85Å
645	T	81.8	Confident	87.4	Confident	62 Å²	62	48.2 Å²	48.2	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-41.6	178	-43.4	0	0	0	0	111.4	N643 L648 E649 F806	N643-T645 PolarHBondContact OD1-N 2.72Å; T645-L648 WeakPolarHBondContact O-CB 3.36Å; T645-L648 PolarHBondContact O-N 3.05Å; T645-E649 WeakPolarHBondContact O-CB 3.39Å; T645-E649 PolarHBondContact O-N 3.17Å; T645-F806 HydrophobicContact CG2-CE1 4.38Å
646	W	88.8	Confident	87.5	Confident	9 Å²	9	48.8 Å²	48.8	3%	0.034	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-45.9	174.6	-171.8	105.7	0	0	0	112.1	L631 Y634 L635 V642 N643 I644 L648 E649 V650 L678 P690	L631-W646 HydrophobicContact CD1-CH2 3.56Å; L631-W646 HydrophobicContact CD1-CZ3 3.96Å; Y634-W646 HydrophobicContact CD1-CH2 4.13Å; Y634-W646 HydrophobicContact CD1-CZ2 4.32Å; Y634-W646 HydrophobicContact CE1-CH2 4.05Å; Y634-W646 AromaticContact CE1-CZ2 3.82Å; Y634-W646 HydrophobicContact CE1-CZ2 3.82Å; L635-W646 HydrophobicContact CD2-CH2 4.39Å; L635-W646 HydrophobicContact CD2-CZ3 3.81Å; V642-W646 HydrophobicContact CG1-CB 4.05Å; V642-W646 HydrophobicContact CG1-CD2 3.58Å; V642-W646 HydrophobicContact CG1-CE3 3.24Å; V642-W646 HydrophobicContact CG1-CG 3.93Å; V642-W646 HydrophobicContact CG1-CZ3 3.93Å; N643-W646 VanDerWaalsContact OD1-CB 3.23Å; N643-W646 WeakPolarHBondContact OD1-CB 3.5Å; N643-W646 PolarHBondContact OD1-N 2.86Å; I644-W646 VanDerWaalsContact C-N 3.29Å; I644-W646 PolarHBondContact O-N 3.33Å; W646-L648 VanDerWaalsContact C-N 3.31Å; W646-L648 PolarHBondContact O-N 3Å; W646-E649 PolarHBondContact O-N 3.14Å; W646-V650 HydrophobicContact CD2-CG2 4.25Å; W646-V650 HydrophobicContact CE3-CG2 3.81Å; W646-V650 HydrophobicContact CH2-CG2 3.66Å; W646-V650 HydrophobicContact CZ2-CG2 4.1Å; W646-V650 HydrophobicContact CZ3-CB 4.22Å; W646-V650 HydrophobicContact CZ3-CG2 3.5Å; W646-V650 VanDerWaalsContact CZ3-CG2 3.5Å; W646-V650 PolarHBondContact O-N 3.11Å; W646-V650 VanDerWaalsContact O-N 3.08Å; W646-L678 HydrophobicContact CH2-CD1 4.26Å; W646-L678 HydrophobicContact CZ2-CD1 3.88Å; W646-L678 HydrophobicContact CZ2-CD2 4.21Å; W646-P690 HydrophobicContact CD2-CB 4.3Å; W646-P690 HydrophobicContact CD2-CG 4.11Å; W646-P690 HydrophobicContact CG-CG 4Å; W646-P690 HydrophobicContact CZ2-CB 3.82Å
647	K	89	Confident	87.7	Confident	33 Å²	33	44.2 Å²	44.2	14%	0.143	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-40.9	179.3	-71.7	175.9	179.8	-179.9	0	111.6	V642 N643 I644 V650 A651 I743 C744	V642-K647 HydrophobicContact CG1-CG 3.82Å; N643-K647 WeakPolarHBondContact O-CG 3.35Å; N643-K647 PolarHBondContact O-N 3.33Å; I644-K647 HydrophobicContact CD1-CD 4.4Å; I644-K647 WeakPolarHBondContact O-CB 3.35Å; I644-K647 PolarHBondContact O-N 3.48Å; I644-K647 VanDerWaalsContact O-N 3.11Å; K647-V650 PolarHBondContact O-N 3.43Å; K647-A651 WeakPolarHBondContact O-CB 3.5Å; K647-A651 PolarHBondContact O-N 2.8Å; K647-I743 HydrophobicContact CB-CG2 3.78Å; K647-I743 HydrophobicContact CD-CG2 4.44Å; K647-I743 WeakPolarHBondContact CD-O 3.3Å; K647-I743 WeakPolarHBondContact CE-O 3.41Å; K647-I743 HydrophobicContact CG-CG2 3.89Å; K647-C744 PolarHBondContact NZ-O 3.33Å
648	L	86.1	Confident	87.9	Confident	10 Å²	10	36.5 Å²	36.5	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-43.4	175.9	-84.7	173.5	0	0	0	112.8	I644 T645 W646 V650 A651 K652 W774 L802 F806	I644-L648 HydrophobicContact CG1-CD1 4.41Å; I644-L648 WeakPolarHBondContact O-CB 3.5Å; I644-L648 PolarHBondContact O-N 3.35Å; T645-L648 WeakPolarHBondContact O-CB 3.36Å; T645-L648 PolarHBondContact O-N 3.05Å; W646-L648 VanDerWaalsContact C-N 3.31Å; W646-L648 PolarHBondContact O-N 3Å; L648-V650 VanDerWaalsContact C-N 3.31Å; L648-V650 PolarHBondContact O-N 3.08Å; L648-A651 WeakPolarHBondContact O-CB 3.43Å; L648-A651 PolarHBondContact O-N 3.21Å; L648-K652 WeakPolarHBondContact O-CG 3.18Å; L648-K652 PolarHBondContact O-N 2.84Å; L648-W774 HydrophobicContact CD1-CH2 3.36Å; L648-W774 HydrophobicContact CD1-CZ3 3.69Å; L648-W774 HydrophobicContact CD2-CH2 3.47Å; L648-W774 VanDerWaalsContact CD2-CH2 3.47Å; L648-W774 HydrophobicContact CD2-CZ3 3.39Å; L648-W774 HydrophobicContact CG-CH2 3.7Å; L648-W774 HydrophobicContact CG-CZ3 3.55Å; L648-L802 HydrophobicContact CD2-CD2 4.42Å; L648-F806 HydrophobicContact CB-CE2 3.69Å; L648-F806 HydrophobicContact CB-CZ 3.73Å; L648-F806 HydrophobicContact CD1-CD2 4.33Å; L648-F806 HydrophobicContact CD1-CE2 3.75Å; L648-F806 HydrophobicContact CD1-CZ 4.08Å; L648-F806 HydrophobicContact CD2-CE2 4.28Å; L648-F806 HydrophobicContact CG-CE2 4.13Å
649	E	87.9	Confident	88.2	Confident	41 Å²	41	33 Å²	33	19%	0.192	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-44.8	176.5	-177.9	52.5	-147.6	0	0	110.9	T645 W646 A651 K652 Q653 L689 P690	T645-E649 WeakPolarHBondContact O-CB 3.39Å; T645-E649 PolarHBondContact O-N 3.17Å; W646-E649 PolarHBondContact O-N 3.14Å; E649-A651 PolarHBondContact O-N 3.27Å; E649-K652 PolarHBondContact O-N 3.3Å; E649-Q653 WeakPolarHBondContact O-CG 3.46Å; E649-Q653 PolarHBondContact O-N 3.31Å; E649-Q653 PolarHBondContact OE1-NE2 3.44Å; E649-L689 HydrophobicContact CG-CB 4.25Å; E649-L689 HydrophobicContact CG-CD1 4.32Å; E649-P690 HydrophobicContact CB-CG 4.14Å; E649-P690 HydrophobicContact CG-CG 3.89Å
650	V	93.3	Very high	88.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-41.6	174	170	0	0	0	0	112.4	L631 W646 K647 L648 K652 Q653 L654 P690 I692 I743	L631-V650 HydrophobicContact CD1-CG1 4.5Å; L631-V650 HydrophobicContact CD2-CG1 3.64Å; W646-V650 HydrophobicContact CD2-CG2 4.25Å; W646-V650 HydrophobicContact CE3-CG2 3.81Å; W646-V650 HydrophobicContact CH2-CG2 3.66Å; W646-V650 HydrophobicContact CZ2-CG2 4.1Å; W646-V650 HydrophobicContact CZ3-CB 4.22Å; W646-V650 HydrophobicContact CZ3-CG2 3.5Å; W646-V650 VanDerWaalsContact CZ3-CG2 3.5Å; W646-V650 PolarHBondContact O-N 3.11Å; W646-V650 VanDerWaalsContact O-N 3.08Å; K647-V650 PolarHBondContact O-N 3.43Å; L648-V650 VanDerWaalsContact C-N 3.31Å; L648-V650 PolarHBondContact O-N 3.08Å; V650-K652 VanDerWaalsContact C-N 3.34Å; V650-K652 PolarHBondContact O-N 3.46Å; V650-Q653 PolarHBondContact O-N 3.39Å; V650-L654 WeakPolarHBondContact O-CB 3.34Å; V650-L654 PolarHBondContact O-N 2.94Å; V650-P690 HydrophobicContact CG2-CB 4.17Å; V650-P690 HydrophobicContact CG2-CG 4.16Å; V650-I692 HydrophobicContact CB-CG2 4.46Å; V650-I692 HydrophobicContact CG1-CG1 4.3Å; V650-I692 HydrophobicContact CG1-CG2 3.89Å; V650-I692 HydrophobicContact CG2-CG2 3.89Å; V650-I743 HydrophobicContact CG1-CD1 4.15Å
651	A	93.8	Very high	89.7	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-40.4	176.7	0	0	0	0	0	112.2	K647 L648 E649 L654 A655 L740 L802	K647-A651 WeakPolarHBondContact O-CB 3.5Å; K647-A651 PolarHBondContact O-N 2.8Å; L648-A651 WeakPolarHBondContact O-CB 3.43Å; L648-A651 PolarHBondContact O-N 3.21Å; E649-A651 PolarHBondContact O-N 3.27Å; A651-L654 PolarHBondContact O-N 3.35Å; A651-A655 WeakPolarHBondContact O-CB 3.48Å; A651-A655 PolarHBondContact O-N 3.47Å; A651-L740 HydrophobicContact CB-CD1 3.56Å; A651-L802 HydrophobicContact CB-CD2 4.49Å
652	K	90.3	Very high	90.5	Very high	29 Å²	29	19.4 Å²	19.4	13%	0.126	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-48.2	175.5	-75.9	-179	172.6	-173.2	0	112	L648 E649 V650 L654 A655 W656 L802 N803 F806	L648-K652 WeakPolarHBondContact O-CG 3.18Å; L648-K652 PolarHBondContact O-N 2.84Å; E649-K652 PolarHBondContact O-N 3.3Å; V650-K652 VanDerWaalsContact C-N 3.34Å; V650-K652 PolarHBondContact O-N 3.46Å; K652-L654 PolarHBondContact O-N 2.99Å; K652-A655 PolarHBondContact O-N 3.02Å; K652-A655 VanDerWaalsContact O-N 3.1Å; K652-W656 PolarHBondContact O-N 2.95Å; K652-L802 HydrophobicContact CG-CB 4.33Å; K652-N803 WeakPolarHBondContact CE-OD1 3.29Å; K652-N803 PolarHBondContact NZ-OD1 3.38Å; K652-F806 HydrophobicContact CD-CE2 3.92Å; K652-F806 HydrophobicContact CD-CZ 4.27Å; K652-F806 VanDerWaalsContact CE-CD2 3.41Å
653	Q	94	Very high	90.5	Very high	10 Å²	10	23 Å²	23	5%	0.047	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-40.1	178.2	-69.1	180	20.6	0	0	111.8	H605 E649 V650 A657 P690 I692	H605-Q653 VanDerWaalsContact CE1-CG 3.42Å; H605-Q653 WeakPolarHBondContact CE1-CG 3.04Å; H605-Q653 PolarHBondContact CE1-OE1 3.33Å; H605-Q653 VanDerWaalsContact CE1-OE1 3.22Å; H605-Q653 WeakPolarHBondContact NE2-CG 3.38Å; E649-Q653 WeakPolarHBondContact O-CG 3.46Å; E649-Q653 PolarHBondContact O-N 3.31Å; E649-Q653 PolarHBondContact OE1-NE2 3.44Å; V650-Q653 PolarHBondContact O-N 3.39Å; Q653-A657 PolarHBondContact O-N 3.04Å; Q653-A657 VanDerWaalsContact O-N 3.14Å; Q653-P690 PolarHBondContact NE2-O 2.95Å; Q653-I692 HydrophobicContact CB-CD1 4.04Å; Q653-I692 HydrophobicContact CB-CG1 3.69Å
654	L	97.3	Very high	90.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-47.9	173.2	-178.5	64.1	0	0	0	111.2	V650 A651 K652 W656 A657 M658 V671 I676 I692 L694 F736 T739	V650-L654 WeakPolarHBondContact O-CB 3.34Å; V650-L654 PolarHBondContact O-N 2.94Å; A651-L654 PolarHBondContact O-N 3.35Å; K652-L654 PolarHBondContact O-N 2.99Å; L654-W656 VanDerWaalsContact C-N 3.29Å; L654-W656 PolarHBondContact O-N 3.34Å; L654-A657 WeakPolarHBondContact O-CB 3.35Å; L654-A657 PolarHBondContact O-N 3.47Å; L654-A657 VanDerWaalsContact O-N 3.1Å; L654-M658 HydrophobicContact CD1-CG 4.25Å; L654-M658 HydrophobicContact CD1-SD 4.41Å; L654-M658 HydrophobicContact CG-CG 4.33Å; L654-M658 VanDerWaalsContact O-CG 3.29Å; L654-M658 WeakPolarHBondContact O-CG 3.32Å; L654-M658 PolarHBondContact O-N 3.11Å; L654-V671 HydrophobicContact CD1-CG1 4.41Å; L654-V671 HydrophobicContact CD2-CG1 4.44Å; L654-I676 HydrophobicContact CD1-CD1 3.82Å; L654-I676 HydrophobicContact CD1-CG1 4.25Å; L654-I676 HydrophobicContact CD2-CD1 3.59Å; L654-I676 HydrophobicContact CG-CD1 4.25Å; L654-I692 HydrophobicContact CB-CD1 4.23Å; L654-L694 HydrophobicContact CD1-CD1 4.42Å; L654-L694 HydrophobicContact CD1-CD2 4.49Å; L654-F736 HydrophobicContact CB-CE2 4.13Å; L654-F736 HydrophobicContact CD2-CD2 3.62Å; L654-F736 HydrophobicContact CD2-CE2 3.71Å; L654-F736 HydrophobicContact CG-CD2 3.8Å; L654-F736 HydrophobicContact CG-CE2 3.76Å; L654-T739 HydrophobicContact CD2-CG2 3.99Å
655	A	95.9	Very high	90.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-39.5	179.9	0	0	0	0	0	112.3	A651 K652 M658 H659 F736 I798 I799 L802	A651-A655 WeakPolarHBondContact O-CB 3.48Å; A651-A655 PolarHBondContact O-N 3.47Å; K652-A655 PolarHBondContact O-N 3.02Å; K652-A655 VanDerWaalsContact O-N 3.1Å; A655-M658 PolarHBondContact O-N 2.91Å; A655-H659 WeakPolarHBondContact O-CB 3.26Å; A655-H659 PolarHBondContact O-N 2.9Å; A655-F736 HydrophobicContact CB-CE2 3.95Å; A655-F736 HydrophobicContact CB-CZ 3.94Å; A655-I798 HydrophobicContact CB-CG2 4.21Å; A655-I799 HydrophobicContact CB-CG1 3.76Å; A655-L802 HydrophobicContact CB-CD1 3.78Å
656	W	94.2	Very high	90.7	Very high	13 Å²	13	23 Å²	23	5%	0.049	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-42.3	173.5	-80.2	111.5	0	0	0	113.3	I323 T344 R345 Q346 N348 K652 L654 M658 H659 Y660 I799	I323-W656 HydrophobicContact CB-CH2 4.3Å; I323-W656 HydrophobicContact CG1-CH2 3.81Å; I323-W656 HydrophobicContact CG1-CZ3 4.24Å; I323-W656 HydrophobicContact CG2-CH2 4.34Å; T344-W656 HydrophobicContact CG2-CH2 4.19Å; T344-W656 HydrophobicContact CG2-CZ2 3.84Å; R345-W656 VanDerWaalsContact O-CH2 3.26Å; R345-W656 WeakPolarHBondContact O-CH2 3.47Å; Q346-W656 VanDerWaalsContact O-CZ3 3.27Å; Q346-W656 WeakPolarHBondContact O-CZ3 3.37Å; N348-W656 HydrophobicContact CB-CD2 4.27Å; N348-W656 HydrophobicContact CB-CE3 4.46Å; N348-W656 HydrophobicContact CB-CH2 4.1Å; N348-W656 HydrophobicContact CB-CZ2 3.9Å; N348-W656 HydrophobicContact CB-CZ3 4.39Å; N348-W656 WeakPolarHBondContact OD1-CZ2 3.3Å; N348-W656 PolarHBondContact OD1-NE1 2.92Å; K652-W656 PolarHBondContact O-N 2.95Å; L654-W656 VanDerWaalsContact C-N 3.29Å; L654-W656 PolarHBondContact O-N 3.34Å; W656-M658 VanDerWaalsContact C-N 3.28Å; W656-M658 PolarHBondContact O-N 3.36Å; W656-H659 AromaticContact CZ3-CD2 3.93Å; W656-H659 PolarHBondContact O-N 2.96Å; W656-Y660 PolarHBondContact O-N 3.43Å; W656-I799 HydrophobicContact CD2-CD1 3.78Å; W656-I799 HydrophobicContact CE3-CD1 3.81Å; W656-I799 HydrophobicContact CG-CD1 4.26Å; W656-I799 HydrophobicContact CH2-CG2 4.49Å; W656-I799 HydrophobicContact CZ2-CD1 4.48Å; W656-I799 HydrophobicContact CZ2-CG2 3.84Å; W656-I799 HydrophobicContact CZ3-CD1 4.17Å
657	A	95.1	Very high	91	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-42.4	173.7	0	0	0	0	0	111.2	H605 L606 Q653 L654 Y660 L661	H605-A657 HydrophobicContact CB-CB 3.92Å; L606-A657 HydrophobicContact CD2-CB 4.07Å; Q653-A657 PolarHBondContact O-N 3.04Å; Q653-A657 VanDerWaalsContact O-N 3.14Å; L654-A657 WeakPolarHBondContact O-CB 3.35Å; L654-A657 PolarHBondContact O-N 3.47Å; L654-A657 VanDerWaalsContact O-N 3.1Å; A657-Y660 WeakPolarHBondContact O-CB 3.39Å; A657-Y660 PolarHBondContact O-N 3.12Å; A657-L661 WeakPolarHBondContact O-CG 3.49Å; A657-L661 PolarHBondContact O-N 3.43Å
658	M	96.2	Very high	91.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-72.5	-35.1	179.5	-62	-48.8	-60.8	0	0	113.1	L654 A655 W656 Y660 L661 E662 H668 V671 L694 D732 F736 F795	L654-M658 HydrophobicContact CD1-CG 4.25Å; L654-M658 HydrophobicContact CD1-SD 4.41Å; L654-M658 HydrophobicContact CG-CG 4.33Å; L654-M658 VanDerWaalsContact O-CG 3.29Å; L654-M658 WeakPolarHBondContact O-CG 3.32Å; L654-M658 PolarHBondContact O-N 3.11Å; A655-M658 PolarHBondContact O-N 2.91Å; W656-M658 VanDerWaalsContact C-N 3.28Å; W656-M658 PolarHBondContact O-N 3.36Å; M658-Y660 VanDerWaalsContact C-N 3.33Å; M658-L661 HydrophobicContact CE-CD1 4.09Å; M658-L661 PolarHBondContact O-N 3.27Å; M658-L661 HydrophobicContact SD-CD1 4.02Å; M658-E662 PolarHBondContact O-N 3.26Å; M658-H668 HydrophobicContact CE-CB 4.37Å; M658-V671 HydrophobicContact CE-CG2 3.61Å; M658-V671 HydrophobicContact SD-CG1 4.49Å; M658-V671 HydrophobicContact SD-CG2 3.92Å; M658-L694 HydrophobicContact SD-CD2 3.61Å; M658-D732 HydrophobicContact CE-CB 3.52Å; M658-F736 HydrophobicContact CG-CD2 4.26Å; M658-F795 HydrophobicContact CB-CD1 3.49Å; M658-F795 VanDerWaalsContact CB-CD1 3.49Å; M658-F795 HydrophobicContact CB-CD2 3.85Å; M658-F795 HydrophobicContact CB-CE1 3.27Å; M658-F795 HydrophobicContact CB-CE2 3.63Å; M658-F795 HydrophobicContact CB-CG 3.79Å; M658-F795 HydrophobicContact CB-CZ 3.35Å; M658-F795 HydrophobicContact CE-CE2 4.25Å; M658-F795 HydrophobicContact CE-CZ 4.01Å; M658-F795 HydrophobicContact CG-CD1 4.43Å; M658-F795 HydrophobicContact CG-CE1 3.79Å; M658-F795 HydrophobicContact CG-CE2 4.49Å; M658-F795 HydrophobicContact CG-CZ 3.84Å
659	H	93.6	Very high	91.6	Very high	14 Å²	14	22.2 Å²	22.2	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-60	-44.4	171.6	175.6	48.9	0	0	0	111.5	A655 W656 L661 E662 D663 F795 I799	A655-H659 WeakPolarHBondContact O-CB 3.26Å; A655-H659 PolarHBondContact O-N 2.9Å; W656-H659 AromaticContact CZ3-CD2 3.93Å; W656-H659 PolarHBondContact O-N 2.96Å; H659-L661 VanDerWaalsContact C-N 3.31Å; H659-L661 PolarHBondContact O-N 3.49Å; H659-E662 PolarHBondContact O-N 3.17Å; H659-D663 PolarHBondContact O-N 3.35Å; H659-F795 HydrophobicContact CB-CB 3.79Å; H659-I799 HydrophobicContact CB-CD1 3.6Å
660	Y	90.1	Very high	92	Very high	47 Å²	47	21.3 Å²	21.3	18%	0.184	11%	0.114	C	C	.	.	H	α-helix	trans	-58.4	-42.1	174.7	173.7	-94.2	0	0	0	112.1	L601 S602 H603 L606 W656 A657 M658 K664	L601-Y660 HydrophobicContact CB-CE1 4.1Å; L601-Y660 HydrophobicContact CD2-CE1 3.81Å; L601-Y660 HydrophobicContact CG-CE1 4.46Å; S602-Y660 PolarHBondContact N-OH 3.36Å; S602-Y660 PolarHBondContact O-OH 3.08Å; H603-Y660 HydrophobicContact CB-CD1 3.86Å; H603-Y660 HydrophobicContact CB-CD2 4.35Å; H603-Y660 HydrophobicContact CB-CE1 4.02Å; H603-Y660 HydrophobicContact CB-CE2 4.48Å; H603-Y660 HydrophobicContact CB-CG 4.03Å; L606-Y660 HydrophobicContact CD1-CD1 3.78Å; L606-Y660 HydrophobicContact CD1-CE1 3.84Å; W656-Y660 PolarHBondContact O-N 3.43Å; A657-Y660 WeakPolarHBondContact O-CB 3.39Å; A657-Y660 PolarHBondContact O-N 3.12Å; M658-Y660 VanDerWaalsContact C-N 3.33Å; Y660-K664 HydrophobicContact CE1-CG 4.4Å; Y660-K664 HydrophobicContact CE2-CG 4.46Å; Y660-K664 VanDerWaalsContact O-CG 3.31Å; Y660-K664 WeakPolarHBondContact O-CG 3.34Å; Y660-K664 PolarHBondContact O-N 2.79Å
661	L	91.8	Very high	92.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-42.9	175.6	-64.5	178.7	0	0	0	112.4	L601 L606 A657 M658 H659 K664 S665 V666 H668 L694	L601-L661 HydrophobicContact CD1-CD2 3.46Å; L601-L661 VanDerWaalsContact CD1-CD2 3.46Å; L601-L661 HydrophobicContact CD2-CD2 4.38Å; L606-L661 HydrophobicContact CD1-CD2 3.96Å; L606-L661 HydrophobicContact CD2-CD1 4.44Å; A657-L661 WeakPolarHBondContact O-CG 3.49Å; A657-L661 PolarHBondContact O-N 3.43Å; M658-L661 HydrophobicContact CE-CD1 4.09Å; M658-L661 PolarHBondContact O-N 3.27Å; M658-L661 HydrophobicContact SD-CD1 4.02Å; H659-L661 VanDerWaalsContact C-N 3.31Å; H659-L661 PolarHBondContact O-N 3.49Å; L661-K664 CarbonylContact O-C 3.54Å; L661-K664 PolarHBondContact O-N 3.44Å; L661-S665 PolarHBondContact O-N 2.9Å; L661-V666 HydrophobicContact CD2-CB 4.41Å; L661-V666 HydrophobicContact CD2-CG1 4.32Å; L661-V666 PolarHBondContact O-N 3.23Å; L661-H668 HydrophobicContact CD1-CB 4.02Å; L661-L694 HydrophobicContact CD1-CD2 4.33Å
662	E	91.3	Very high	92.2	Very high	20 Å²	20	22 Å²	22	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-42.1	177.5	-178.5	176.2	-127	0	0	112.1	M658 H659 S665 L729 K733 F795	M658-E662 PolarHBondContact O-N 3.26Å; H659-E662 PolarHBondContact O-N 3.17Å; E662-S665 WeakPolarHBondContact O-CA 3.49Å; E662-S665 PolarHBondContact O-N 3.08Å; E662-L729 HydrophobicContact CG-CD1 4.44Å; E662-K733 WeakPolarHBondContact OE1-CE 3.46Å; E662-K733 IonicContact OE1-NZ 3.52Å; E662-K733 PolarHBondContact OE1-NZ 2.9Å; E662-F795 HydrophobicContact CB-CD2 3.96Å; E662-F795 WeakPolarHBondContact OE2-CB 3.31Å; E662-F795 PolarHBondContact OE2-N 3.12Å
663	D	83.8	Confident	92.5	Very high	90 Å²	90	20.6 Å²	20.6	48%	0.481	11%	0.112	S	C	.	.	H	α-helix	trans	-61.3	-46.6	176.8	-174	59.1	0	0	0	111.2	H659 S665	H659-D663 PolarHBondContact O-N 3.35Å; D663-S665 PolarHBondContact O-N 3.44Å; D663-S665 VanDerWaalsContact O-N 3.14Å
664	K	79.1	Confident	92.4	Very high	62 Å²	62	25 Å²	25	27%	0.27	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-2.7	173.7	-61.5	-64.5	178.4	-173.6	0	113.9	Y660 L661 V666	Y660-K664 HydrophobicContact CE1-CG 4.4Å; Y660-K664 HydrophobicContact CE2-CG 4.46Å; Y660-K664 VanDerWaalsContact O-CG 3.31Å; Y660-K664 WeakPolarHBondContact O-CG 3.34Å; Y660-K664 PolarHBondContact O-N 2.79Å; L661-K664 CarbonylContact O-C 3.54Å; L661-K664 PolarHBondContact O-N 3.44Å; K664-V666 HydrophobicContact CB-CG2 4.07Å; K664-V666 PolarHBondContact O-N 3.43Å
665	S	85.1	Confident	92.4	Very high	70 Å²	70	26 Å²	26	49%	0.49	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	35.3	-177.7	-51.5	0	0	0	0	113.3	K503 L661 E662 D663	K503-S665 PolarHBondContact NZ-OG 3.06Å; L661-S665 PolarHBondContact O-N 2.9Å; E662-S665 WeakPolarHBondContact O-CA 3.49Å; E662-S665 PolarHBondContact O-N 3.08Å; D663-S665 PolarHBondContact O-N 3.44Å; D663-S665 VanDerWaalsContact O-N 3.14Å
666	V	88.9	Confident	92.4	Very high	33 Å²	33	26 Å²	26	20%	0.2	14%	0.137	C	C	.	.			trans	-103.2	135.2	178.2	176.3	0	0	0	0	109.7	M597 L601 L661 K664 L729	M597-V666 HydrophobicContact CG-CG1 3.65Å; M597-V666 HydrophobicContact SD-CG1 3.46Å; M597-V666 WeakPolarHBondContact SD-CG1 3.37Å; L601-V666 HydrophobicContact CD1-CG1 4.39Å; L601-V666 HydrophobicContact CD2-CG2 4.41Å; L661-V666 HydrophobicContact CD2-CB 4.41Å; L661-V666 HydrophobicContact CD2-CG1 4.32Å; L661-V666 PolarHBondContact O-N 3.23Å; K664-V666 HydrophobicContact CB-CG2 4.07Å; K664-V666 PolarHBondContact O-N 3.43Å; V666-L729 WeakPolarHBondContact O-CD2 3.44Å
667	V	93.4	Very high	92.5	Very high	16 Å²	16	26.5 Å²	26.5	10%	0.097	14%	0.14	C	C	.	.			trans	-103.2	122.2	177.5	-173	0	0	0	0	109.5	L727 S728 L729 D732	V667-L727 HydrophobicContact CG1-CD1 3.58Å; V667-L727 HydrophobicContact CG1-CD2 4.48Å; V667-L727 HydrophobicContact CG1-CG 3.88Å; V667-S728 VanDerWaalsContact CG1-O 3.27Å; V667-S728 WeakPolarHBondContact CG1-O 3.29Å; V667-S728 VanDerWaalsContact CG2-C 3.48Å; V667-L729 HydrophobicContact CG2-CD2 3.98Å; V667-L729 HydrophobicContact CG2-CG 4.3Å; V667-D732 WeakPolarHBondContact CA-OD2 3.44Å
668	H	95.8	Very high	92.5	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.032	14%	0.14	C	C	.	.			trans	-73.6	-48.8	174.7	-170.9	-93.4	0	0	0	111.5	M658 L661 N670 V671 S695 P697 D732	M658-H668 HydrophobicContact CE-CB 4.37Å; L661-H668 HydrophobicContact CD1-CB 4.02Å; H668-N670 VanDerWaalsContact C-N 3.25Å; H668-N670 PolarHBondContact CE1-O 2.89Å; H668-N670 VanDerWaalsContact CE1-O 3.32Å; H668-N670 PolarHBondContact ND1-N 3.47Å; H668-N670 PolarHBondContact ND1-O 3.34Å; H668-N670 PolarHBondContact O-N 3.27Å; H668-V671 HydrophobicContact CB-CG2 4.1Å; H668-S695 PolarHBondContact NE2-O 2.87Å; H668-P697 WeakPolarHBondContact O-CB 3.4Å; H668-D732 PolarHBondContact N-OD2 3.31Å
669	G	93.9	Very high	92.4	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	14%	0.14	C	C	.	.			trans	77.2	-5.8	172.9	0	0	0	0	0	116.2	D732	G669-D732 PolarHBondContact N-OD1 3.23Å
670	N	95.1	Very high	92.2	Very high	21 Å²	21	27.8 Å²	27.8	11%	0.112	15%	0.145	C	C	.	.			trans	-144.1	54.9	179.2	-167.3	17.5	0	0	0	112.7	H668 C672 N675 P697 R712	H668-N670 VanDerWaalsContact C-N 3.25Å; H668-N670 PolarHBondContact CE1-O 2.89Å; H668-N670 VanDerWaalsContact CE1-O 3.32Å; H668-N670 PolarHBondContact ND1-N 3.47Å; H668-N670 PolarHBondContact ND1-O 3.34Å; H668-N670 PolarHBondContact O-N 3.27Å; N670-C672 PolarHBondContact O-N 3.23Å; N670-N675 PolarHBondContact ND2-ND2 3.39Å; N670-N675 PolarHBondContact O-ND2 2.9Å; N670-P697 HydrophobicContact CB-CB 3.91Å; N670-P697 PolarHBondContact ND2-O 3.09Å; N670-R712 PolarHBondContact ND2-NH1 3.19Å
671	V	96.9	Very high	92.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	15%	0.15	C	C	.	.			trans	-82	112.2	178.3	-173.4	0	0	0	0	109.4	L654 M658 H668 W715 T739	L654-V671 HydrophobicContact CD1-CG1 4.41Å; L654-V671 HydrophobicContact CD2-CG1 4.44Å; M658-V671 HydrophobicContact CE-CG2 3.61Å; M658-V671 HydrophobicContact SD-CG1 4.49Å; M658-V671 HydrophobicContact SD-CG2 3.92Å; H668-V671 HydrophobicContact CB-CG2 4.1Å; V671-W715 VanDerWaalsContact O-CD1 3.32Å; V671-T739 PolarHBondContact O-OG1 3.05Å; V671-T739 VanDerWaalsContact O-OG1 3.06Å
672	C	95.5	Very high	91.8	Very high	13 Å²	13	31.7 Å²	31.7	9%	0.088	17%	0.165	C	C	.	.			trans	-153.5	158.7	175.1	60.9	0	0	0	0	110.2	N670 K674 N675 I676 W715 T739	N670-C672 PolarHBondContact O-N 3.23Å; C672-K674 PolarHBondContact O-N 3.35Å; C672-K674 VanDerWaalsContact O-N 3.15Å; C672-N675 PolarHBondContact O-N 3.5Å; C672-I676 PolarHBondContact O-N 3.48Å; C672-W715 VanDerWaalsContact CB-CD1 3.42Å; C672-W715 HydrophobicContact CB-CD2 4.18Å; C672-W715 HydrophobicContact CB-CG 3.91Å; C672-T739 VanDerWaalsContact CA-OG1 3.27Å; C672-T739 WeakPolarHBondContact CA-OG1 3.41Å
673	A	95.1	Very high	91.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.2	-177.9	0	0	0	0	0	113.1	L631 D632 N675 I676 T739 E742	L631-A673 HydrophobicContact CB-CB 4.21Å; L631-A673 WeakPolarHBondContact CB-O 3.5Å; L631-A673 HydrophobicContact CD2-CB 4.3Å; L631-A673 HydrophobicContact CG-CB 4.33Å; L631-A673 PolarHBondContact N-O 3.08Å; D632-A673 HydrophobicContact CB-CB 3.95Å; D632-A673 PolarHBondContact N-O 3.23Å; A673-N675 VanDerWaalsContact C-N 3.27Å; A673-N675 PolarHBondContact O-N 3.21Å; A673-I676 PolarHBondContact O-N 3.17Å; A673-T739 HydrophobicContact CB-CG2 4.37Å; A673-E742 HydrophobicContact CB-CG 3.93Å; A673-E742 WeakPolarHBondContact CB-OE2 3.2Å; A673-E742 PolarHBondContact N-OE2 2.85Å
674	K	93.5	Very high	90.6	Very high	103 Å²	103	37.9 Å²	37.9	45%	0.448	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-62.1	-33.5	169.7	-177.8	174.3	178.1	176.7	0	112.8	Q550 S630 D632 C672	Q550-K674 PolarHBondContact O-NZ 2.96Å; S630-K674 VanDerWaalsContact CB-O 3.26Å; S630-K674 WeakPolarHBondContact CB-O 3.35Å; D632-K674 WeakPolarHBondContact OD1-CA 3.32Å; C672-K674 PolarHBondContact O-N 3.35Å; C672-K674 VanDerWaalsContact O-N 3.15Å
675	N	95.3	Very high	90.2	Very high	21 Å²	21	44 Å²	44	11%	0.112	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-91.8	2.3	178.1	-71.1	-16.7	0	0	0	112.7	N670 C672 A673 S695	N670-N675 PolarHBondContact ND2-ND2 3.39Å; N670-N675 PolarHBondContact O-ND2 2.9Å; C672-N675 PolarHBondContact O-N 3.5Å; A673-N675 VanDerWaalsContact C-N 3.27Å; A673-N675 PolarHBondContact O-N 3.21Å; N675-S695 WeakPolarHBondContact O-CB 3.16Å; N675-S695 PolarHBondContact O-N 3.42Å
676	I	97.3	Very high	89.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.4	173.3	-61.1	170.4	0	0	0	107.7	S630 L631 L654 C672 A673 I692 L694 T739	S630-I676 CarbonylContact C-O 3.57Å; S630-I676 WeakPolarHBondContact CA-O 3.46Å; L631-I676 HydrophobicContact CB-CB 4.02Å; L631-I676 HydrophobicContact CB-CG2 4.09Å; L631-I676 WeakPolarHBondContact CB-O 3.42Å; L631-I676 HydrophobicContact CD2-CB 4.1Å; L631-I676 HydrophobicContact CD2-CD1 4.27Å; L631-I676 HydrophobicContact CD2-CG2 3.78Å; L631-I676 PolarHBondContact N-O 2.88Å; L654-I676 HydrophobicContact CD1-CD1 3.82Å; L654-I676 HydrophobicContact CD1-CG1 4.25Å; L654-I676 HydrophobicContact CD2-CD1 3.59Å; L654-I676 HydrophobicContact CG-CD1 4.25Å; C672-I676 PolarHBondContact O-N 3.48Å; A673-I676 PolarHBondContact O-N 3.17Å; I676-I692 HydrophobicContact CG2-CB 3.77Å; I676-I692 HydrophobicContact CG2-CD1 3.83Å; I676-I692 HydrophobicContact CG2-CG1 4.26Å; I676-I692 HydrophobicContact CG2-CG2 4.09Å; I676-L694 HydrophobicContact CG1-CD1 4.05Å; I676-T739 HydrophobicContact CD1-CG2 3.59Å
677	L	96.1	Very high	88.5	Confident	24 Å²	24	45.4 Å²	45.4	13%	0.126	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.5	-179.9	-55.6	-174.6	0	0	0	110.2	L607 G629 I679 I692 K693	L607-L677 HydrophobicContact CD1-CD1 3.94Å; L607-L677 HydrophobicContact CD2-CD1 3.72Å; L607-L677 HydrophobicContact CG-CD1 4.48Å; G629-L677 WeakPolarHBondContact O-CA 3.45Å; L677-I679 HydrophobicContact CB-CD1 4.31Å; L677-I692 CarbonylContact O-C 3.51Å; L677-I692 VanDerWaalsContact O-CA 3.3Å; L677-I692 WeakPolarHBondContact O-CA 3.49Å; L677-K693 PolarHBondContact N-O 3.22Å; L677-K693 PolarHBondContact O-N 3Å
678	L	94.8	Very high	87.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.3	171.9	-174.6	71.1	0	0	0	109.2	F628 G629 Y634 W646 R680 E681 P690 I692	F628-L678 HydrophobicContact CB-CB 3.96Å; F628-L678 HydrophobicContact CB-CD2 3.94Å; F628-L678 HydrophobicContact CB-CG 4.09Å; F628-L678 WeakPolarHBondContact CB-O 3.46Å; F628-L678 HydrophobicContact CD2-CG 4.42Å; F628-L678 HydrophobicContact CG-CD2 4.28Å; F628-L678 HydrophobicContact CG-CG 4.49Å; F628-L678 PolarHBondContact N-O 2.68Å; G629-L678 PolarHBondContact O-N 3.28Å; Y634-L678 HydrophobicContact CD1-CD2 3.76Å; Y634-L678 HydrophobicContact CD2-CD2 3.64Å; Y634-L678 HydrophobicContact CE1-CD2 3.68Å; Y634-L678 HydrophobicContact CE2-CD2 3.58Å; Y634-L678 HydrophobicContact CG-CD2 3.73Å; W646-L678 HydrophobicContact CH2-CD1 4.26Å; W646-L678 HydrophobicContact CZ2-CD1 3.88Å; W646-L678 HydrophobicContact CZ2-CD2 4.21Å; L678-R680 VanDerWaalsContact CD1-O 3.26Å; L678-R680 WeakPolarHBondContact CD1-O 3.47Å; L678-E681 HydrophobicContact CD2-CG 4.04Å; L678-P690 HydrophobicContact CD1-CB 4.39Å; L678-I692 HydrophobicContact CD1-CG2 3.87Å
679	I	93.1	Very high	87.2	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-42.7	-178.1	-53	-54.8	0	0	0	110.6	F628 L677 F691 K693 D869 T871	F628-I679 VanDerWaalsContact CD2-O 3.31Å; F628-I679 WeakPolarHBondContact CD2-O 3.34Å; F628-I679 VanDerWaalsContact CE2-O 3.24Å; F628-I679 WeakPolarHBondContact CE2-O 3.26Å; L677-I679 HydrophobicContact CB-CD1 4.31Å; I679-F691 HydrophobicContact CB-CD1 4.22Å; I679-F691 HydrophobicContact CG1-CD1 4.41Å; I679-F691 PolarHBondContact N-O 2.94Å; I679-K693 HydrophobicContact CD1-CB 4.42Å; I679-K693 HydrophobicContact CD1-CD 4.3Å; I679-K693 HydrophobicContact CD1-CG 4.41Å; I679-K693 HydrophobicContact CG1-CB 4.16Å; I679-K693 HydrophobicContact CG1-CD 3.96Å; I679-K693 HydrophobicContact CG1-CG 3.78Å; I679-D869 WeakPolarHBondContact CG2-O 3.31Å; I679-T871 HydrophobicContact CB-CG2 4.2Å; I679-T871 HydrophobicContact CG2-CG2 3.69Å
680	R	90.9	Very high	87.1	Confident	40 Å²	40	48.2 Å²	48.2	15%	0.151	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.1	176.2	170	175.9	65.8	-128.9	0.5	111.3	L678 L689 P690 F691 D869 T871	L678-R680 VanDerWaalsContact CD1-O 3.26Å; L678-R680 WeakPolarHBondContact CD1-O 3.47Å; R680-L689 PolarHBondContact NE-O 3.43Å; R680-L689 PolarHBondContact NH2-O 3.37Å; R680-P690 WeakPolarHBondContact O-CA 3.46Å; R680-F691 HydrophobicContact CB-CB 3.87Å; R680-F691 PolarHBondContact N-O 3.44Å; R680-F691 PolarHBondContact O-N 3.26Å; R680-D869 VanDerWaalsContact CD-OD2 3.23Å; R680-D869 WeakPolarHBondContact CD-OD2 3.23Å; R680-D869 IonicContact CZ-OD2 3.58Å; R680-D869 IonicContact NE-OD2 2.64Å; R680-D869 IonicContact NH1-OD1 3.9Å; R680-D869 IonicContact NH1-OD2 3Å; R680-D869 PolarHBondContact NH1-OD2 3.04Å; R680-T871 HydrophobicContact CB-CG2 3.92Å; R680-T871 PolarHBondContact NH1-OG1 3.4Å
681	E	89.1	Confident	87	Confident	64 Å²	64	48 Å²	48	30%	0.299	24%	0.236	S	C	.	.			trans	-80.1	158.7	167.2	-71.9	-176.5	173.3	0	0	111.7	F628 Y634 L678 D683	F628-E681 HydrophobicContact CD1-CG 3.86Å; F628-E681 WeakPolarHBondContact CD1-OE1 3.13Å; F628-E681 HydrophobicContact CD2-CG 4.38Å; F628-E681 VanDerWaalsContact CE1-CD 3.44Å; F628-E681 HydrophobicContact CE1-CG 3.62Å; F628-E681 WeakPolarHBondContact CE1-OE1 3.25Å; F628-E681 HydrophobicContact CE2-CG 4.17Å; F628-E681 HydrophobicContact CG-CG 4.24Å; F628-E681 HydrophobicContact CZ-CB 4.36Å; F628-E681 HydrophobicContact CZ-CG 3.78Å; Y634-E681 HydrophobicContact CE2-CG 4.1Å; Y634-E681 WeakPolarHBondContact CE2-OE1 3.44Å; Y634-E681 WeakPolarHBondContact OH-CG 3.44Å; Y634-E681 PolarHBondContact OH-OE1 3.37Å; L678-E681 HydrophobicContact CD2-CG 4.04Å; E681-D683 PolarHBondContact O-N 2.97Å
682	E	83	Confident	86.9	Confident	65 Å²	65	47.8 Å²	47.8	30%	0.304	24%	0.236	S	C	.	.			trans	-65.9	129.6	172.3	-172.5	-169	-178.4	0	0	110.4	S688	E682-S688 CarbonylContact C-O 3.55Å; E682-S688 VanDerWaalsContact CA-O 3.3Å; E682-S688 WeakPolarHBondContact CA-O 3.46Å
683	D	78.4	Confident	87	Confident	65 Å²	65	47.6 Å²	47.6	35%	0.348	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-117.8	105.2	170.2	-175.8	-4.8	0	0	0	110.3	E681 K685 T686 G687 S688	E681-D683 PolarHBondContact O-N 2.97Å; D683-K685 PolarHBondContact O-N 2.91Å; D683-K685 WeakPolarHBondContact OD1-CB 3.39Å; D683-K685 PolarHBondContact OD1-N 2.94Å; D683-T686 WeakPolarHBondContact CB-OG1 3.27Å; D683-T686 PolarHBondContact O-N 3.26Å; D683-T686 PolarHBondContact O-OG1 3.28Å; D683-T686 PolarHBondContact OD2-OG1 2.69Å; D683-G687 CarbonylContact O-C 3.52Å; D683-G687 WeakPolarHBondContact O-CA 3.27Å; D683-G687 PolarHBondContact O-N 2.86Å; D683-S688 PolarHBondContact N-O 3.43Å; D683-S688 PolarHBondContact O-N 3.28Å
684	R	71.4	Confident	87.1	Confident	174 Å²	174	47.6 Å²	47.6	66%	0.657	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.5	179.6	-62.5	-175.7	-179.2	-177.4	2.2	113.7
685	K	71.4	Confident	87.2	Confident	192 Å²	192	43 Å²	43	84%	0.835	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-42.6	178.9	-65.1	-179.6	179.8	176.7	0	111	D683	D683-K685 PolarHBondContact O-N 2.91Å; D683-K685 WeakPolarHBondContact OD1-CB 3.39Å; D683-K685 PolarHBondContact OD1-N 2.94Å
686	T	69.1	Low	87.1	Confident	94 Å²	94	42 Å²	42	58%	0.577	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-14.9	178.1	59.6	0	0	0	0	112.6	D683 S688	D683-T686 WeakPolarHBondContact CB-OG1 3.27Å; D683-T686 PolarHBondContact O-N 3.26Å; D683-T686 PolarHBondContact O-OG1 3.28Å; D683-T686 PolarHBondContact OD2-OG1 2.69Å; T686-S688 VanDerWaalsContact C-N 3.29Å; T686-S688 WeakPolarHBondContact OG1-CB 3.49Å; T686-S688 PolarHBondContact OG1-N 3.18Å; T686-S688 PolarHBondContact OG1-OG 3.27Å
687	G	70	Confident	87	Confident	38 Å²	38	42.5 Å²	42.5	39%	0.392	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	14.5	-172.9	0	0	0	0	0	113.2	D683 L689	D683-G687 CarbonylContact O-C 3.52Å; D683-G687 WeakPolarHBondContact O-CA 3.27Å; D683-G687 PolarHBondContact O-N 2.86Å; G687-L689 PolarHBondContact O-N 3.21Å
688	S	76.8	Confident	86.8	Confident	24 Å²	24	41.7 Å²	41.7	17%	0.168	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-75	124.3	-178	-57.4	0	0	0	0	111	E682 D683 T686	E682-S688 CarbonylContact C-O 3.55Å; E682-S688 VanDerWaalsContact CA-O 3.3Å; E682-S688 WeakPolarHBondContact CA-O 3.46Å; D683-S688 PolarHBondContact N-O 3.43Å; D683-S688 PolarHBondContact O-N 3.28Å; T686-S688 VanDerWaalsContact C-N 3.29Å; T686-S688 WeakPolarHBondContact OG1-CB 3.49Å; T686-S688 PolarHBondContact OG1-N 3.18Å; T686-S688 PolarHBondContact OG1-OG 3.27Å
689	L	84.7	Confident	86.7	Confident	68 Å²	68	41.8 Å²	41.8	36%	0.356	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-75.8	157.3	176.6	-65.2	177.3	0	0	0	111.8	E649 R680 G687	E649-L689 HydrophobicContact CG-CB 4.25Å; E649-L689 HydrophobicContact CG-CD1 4.32Å; R680-L689 PolarHBondContact NE-O 3.43Å; R680-L689 PolarHBondContact NH2-O 3.37Å; G687-L689 PolarHBondContact O-N 3.21Å
690	P	90.9	Very high	86.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-55.9	152.5	170.1	25.2	-33.9	0	0	0	111.1	W646 E649 V650 Q653 L678 R680	W646-P690 HydrophobicContact CD2-CB 4.3Å; W646-P690 HydrophobicContact CD2-CG 4.11Å; W646-P690 HydrophobicContact CG-CG 4Å; W646-P690 HydrophobicContact CZ2-CB 3.82Å; E649-P690 HydrophobicContact CB-CG 4.14Å; E649-P690 HydrophobicContact CG-CG 3.89Å; V650-P690 HydrophobicContact CG2-CB 4.17Å; V650-P690 HydrophobicContact CG2-CG 4.16Å; Q653-P690 PolarHBondContact NE2-O 2.95Å; L678-P690 HydrophobicContact CD1-CB 4.39Å; R680-P690 WeakPolarHBondContact O-CA 3.46Å
691	F	93.2	Very high	86.7	Confident	16 Å²	16	41 Å²	41	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.9	176.7	-162.3	-78.7	0	0	0	111.1	K604 H605 I679 R680 K693 T871	K604-F691 HydrophobicContact CB-CZ 4.17Å; K604-F691 VanDerWaalsContact O-CE1 3.28Å; K604-F691 WeakPolarHBondContact O-CE1 3.4Å; K604-F691 VanDerWaalsContact O-CZ 3.32Å; K604-F691 WeakPolarHBondContact O-CZ 3.33Å; H605-F691 AromaticContact CE1-CD2 3.83Å; H605-F691 AromaticContact CE1-CE1 3.93Å; H605-F691 AromaticContact CE1-CE2 3.42Å; H605-F691 VanDerWaalsContact CE1-CE2 3.42Å; H605-F691 WeakPolarHBondContact CE1-CE2 3.4Å; H605-F691 AromaticContact CE1-CZ 3.49Å; H605-F691 VanDerWaalsContact CE1-CZ 3.49Å; H605-F691 WeakPolarHBondContact CE1-CZ 3.41Å; H605-F691 AromaticContact ND1-CE1 3.63Å; H605-F691 AromaticContact ND1-CE2 3.97Å; H605-F691 AromaticContact ND1-CZ 3.57Å; I679-F691 HydrophobicContact CB-CD1 4.22Å; I679-F691 HydrophobicContact CG1-CD1 4.41Å; I679-F691 PolarHBondContact N-O 2.94Å; R680-F691 HydrophobicContact CB-CB 3.87Å; R680-F691 PolarHBondContact N-O 3.44Å; R680-F691 PolarHBondContact O-N 3.26Å; F691-K693 HydrophobicContact CD1-CG 4.46Å; F691-K693 HydrophobicContact CE1-CG 4Å; F691-T871 HydrophobicContact CB-CG2 3.55Å; F691-T871 HydrophobicContact CD1-CG2 3.54Å; F691-T871 HydrophobicContact CD2-CG2 3.96Å; F691-T871 HydrophobicContact CE1-CG2 4.17Å; F691-T871 HydrophobicContact CG-CG2 3.4Å; F691-T871 VanDerWaalsContact CG-CG2 3.4Å
692	I	95.9	Very high	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	155.8	-179.7	63.8	104.1	0	0	0	112.5	H605 V650 Q653 L654 I676 L677 L678	H605-I692 PolarHBondContact ND1-O 3.42Å; V650-I692 HydrophobicContact CB-CG2 4.46Å; V650-I692 HydrophobicContact CG1-CG1 4.3Å; V650-I692 HydrophobicContact CG1-CG2 3.89Å; V650-I692 HydrophobicContact CG2-CG2 3.89Å; Q653-I692 HydrophobicContact CB-CD1 4.04Å; Q653-I692 HydrophobicContact CB-CG1 3.69Å; L654-I692 HydrophobicContact CB-CD1 4.23Å; I676-I692 HydrophobicContact CG2-CB 3.77Å; I676-I692 HydrophobicContact CG2-CD1 3.83Å; I676-I692 HydrophobicContact CG2-CG1 4.26Å; I676-I692 HydrophobicContact CG2-CG2 4.09Å; L677-I692 CarbonylContact O-C 3.51Å; L677-I692 VanDerWaalsContact O-CA 3.3Å; L677-I692 WeakPolarHBondContact O-CA 3.49Å; L678-I692 HydrophobicContact CD1-CG2 3.87Å
693	K	96.6	Very high	87.2	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.9	167.5	-67.7	-175	-177.2	-176.2	0	110.5	K604 H605 L607 E624 L677 I679 F691 S870	K604-K693 WeakPolarHBondContact O-CE 3.25Å; H605-K693 CarbonylContact O-C 3.57Å; H605-K693 WeakPolarHBondContact O-CA 3.41Å; L607-K693 HydrophobicContact CB-CB 4.38Å; L607-K693 HydrophobicContact CD1-CB 4.08Å; L607-K693 HydrophobicContact CD1-CD 4.25Å; E624-K693 IonicContact OE1-NZ 2.6Å; E624-K693 PolarHBondContact OE1-NZ 2.93Å; E624-K693 WeakPolarHBondContact OE2-CD 3.46Å; E624-K693 IonicContact OE2-NZ 3.92Å; E624-K693 PolarHBondContact OE2-NZ 3.27Å; L677-K693 PolarHBondContact N-O 3.22Å; L677-K693 PolarHBondContact O-N 3Å; I679-K693 HydrophobicContact CD1-CB 4.42Å; I679-K693 HydrophobicContact CD1-CD 4.3Å; I679-K693 HydrophobicContact CD1-CG 4.41Å; I679-K693 HydrophobicContact CG1-CB 4.16Å; I679-K693 HydrophobicContact CG1-CD 3.96Å; I679-K693 HydrophobicContact CG1-CG 3.78Å; F691-K693 HydrophobicContact CD1-CG 4.46Å; F691-K693 HydrophobicContact CE1-CG 4Å; K693-S870 PolarHBondContact NZ-O 2.82Å; K693-S870 VanDerWaalsContact NZ-O 3.11Å
694	L	97.5	Very high	87.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120	172.1	179	65.2	0	0	0	109.5	H605 L606 L607 L654 M658 L661 I676	H605-L694 PolarHBondContact O-N 2.95Å; L606-L694 HydrophobicContact CD2-CB 4.04Å; L606-L694 HydrophobicContact CD2-CD2 4.11Å; L606-L694 HydrophobicContact CD2-CG 4.48Å; L607-L694 VanDerWaalsContact CB-O 3.31Å; L607-L694 WeakPolarHBondContact CB-O 3.49Å; L607-L694 PolarHBondContact N-O 3.39Å; L654-L694 HydrophobicContact CD1-CD1 4.42Å; L654-L694 HydrophobicContact CD1-CD2 4.49Å; M658-L694 HydrophobicContact SD-CD2 3.61Å; L661-L694 HydrophobicContact CD1-CD2 4.33Å; I676-L694 HydrophobicContact CG1-CD1 4.05Å
695	S	95.9	Very high	89	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.035	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-71.6	166.6	175.2	-163.7	0	0	0	0	111.3	L607 H668 N675	L607-S695 WeakPolarHBondContact CD2-OG 3.45Å; H668-S695 PolarHBondContact NE2-O 2.87Å; N675-S695 WeakPolarHBondContact O-CB 3.16Å; N675-S695 PolarHBondContact O-N 3.42Å
696	D	94.1	Very high	90	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-51.2	151.8	168.6	69.2	108.1	0	0	0	113.8	K578 M598 I609 M621 Q623 G698	K578-D696 IonicContact NZ-OD1 3.36Å; K578-D696 PolarHBondContact NZ-OD1 3.21Å; K578-D696 IonicContact NZ-OD2 2.66Å; K578-D696 PolarHBondContact NZ-OD2 3.43Å; M598-D696 HydrophobicContact CG-CB 4.09Å; I609-D696 HydrophobicContact CD1-CB 4.27Å; M621-D696 HydrophobicContact SD-CB 4.08Å; Q623-D696 PolarHBondContact OE1-OD2 3.41Å; D696-G698 PolarHBondContact O-N 3.16Å; D696-G698 WeakPolarHBondContact OD1-CA 3.48Å; D696-G698 PolarHBondContact OD1-N 3.16Å; D696-G698 VanDerWaalsContact OD1-N 3.09Å
697	P	93.6	Very high	91.1	Very high	10 Å²	10	31.4 Å²	31.4	7%	0.065	18%	0.175	C	C	.	.			trans	-73.9	-10.9	179.4	30.6	-37	0	0	0	114.2	A594 M597 H668 N670	A594-P697 HydrophobicContact CB-CG 3.97Å; M597-P697 HydrophobicContact CE-CG 3.71Å; H668-P697 WeakPolarHBondContact O-CB 3.4Å; N670-P697 HydrophobicContact CB-CB 3.91Å; N670-P697 PolarHBondContact ND2-O 3.09Å
698	G	91.9	Very high	92.2	Very high	8 Å²	8	30.7 Å²	30.7	8%	0.082	16%	0.163	C	C	.	.			trans	68.9	-139.9	-172.2	0	0	0	0	0	112.4	A594 D696 G700	A594-G698 VanDerWaalsContact CB-O 3.26Å; A594-G698 WeakPolarHBondContact CB-O 3.42Å; D696-G698 PolarHBondContact O-N 3.16Å; D696-G698 WeakPolarHBondContact OD1-CA 3.48Å; D696-G698 PolarHBondContact OD1-N 3.16Å; D696-G698 VanDerWaalsContact OD1-N 3.09Å; G698-G700 PolarHBondContact O-N 2.83Å
699	I	93.8	Very high	93	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	-69.8	126.9	176.1	-52.3	-54	0	0	0	109.8	F553 L580 F587 F591 V703 L704	F553-I699 HydrophobicContact CD2-CG1 4.45Å; L580-I699 HydrophobicContact CD1-CD1 4.02Å; F587-I699 HydrophobicContact CB-CD1 3.95Å; F587-I699 HydrophobicContact CB-CG1 4.39Å; F587-I699 HydrophobicContact CB-CG2 4.02Å; F587-I699 HydrophobicContact CD1-CG2 4.24Å; F587-I699 HydrophobicContact CG-CG2 4.22Å; F591-I699 HydrophobicContact CB-CD1 3.6Å; F591-I699 HydrophobicContact CD2-CD1 3.95Å; F591-I699 HydrophobicContact CG-CD1 4.25Å; I699-V703 HydrophobicContact CG2-CG2 3.65Å; I699-L704 HydrophobicContact CB-CD2 4.15Å; I699-L704 HydrophobicContact CG2-CD2 3.74Å; I699-L704 HydrophobicContact CG2-CG 4.2Å
700	G	90.4	Very high	93.4	Very high	20 Å²	20	26.9 Å²	26.9	21%	0.206	14%	0.141	C	C	.	.			trans	-65.1	143.8	-176.7	0	0	0	0	0	112.9	S590 G698 T702 V703 L704	S590-G700 PolarHBondContact OG-N 3.43Å; G698-G700 PolarHBondContact O-N 2.83Å; G700-T702 PolarHBondContact O-N 3.08Å; G700-V703 VanDerWaalsContact O-CG2 3.27Å; G700-V703 WeakPolarHBondContact O-CG2 3.49Å; G700-V703 PolarHBondContact O-N 2.74Å; G700-L704 WeakPolarHBondContact O-CG 3.23Å
701	I	92.4	Very high	93.5	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.5	-177.6	67	171.3	0	0	0	113.4	V703 L704 L709 V716 C720 L727 T731	I701-V703 PolarHBondContact O-N 3.4Å; I701-L704 HydrophobicContact CG2-CD1 4.43Å; I701-L704 PolarHBondContact O-N 3.24Å; I701-L709 HydrophobicContact CB-CD2 3.76Å; I701-L709 HydrophobicContact CG2-CD2 4.12Å; I701-V716 HydrophobicContact CD1-CG1 4.49Å; I701-V716 HydrophobicContact CG2-CG2 4.49Å; I701-C720 HydrophobicContact CD1-CB 3.9Å; I701-L727 HydrophobicContact CD1-CD1 3.76Å; I701-L727 HydrophobicContact CG1-CD1 4.03Å; I701-T731 HydrophobicContact CD1-CG2 4.21Å
702	T	91.6	Very high	93.5	Very high	40 Å²	40	32.9 Å²	32.9	25%	0.245	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24	178.5	47.9	0	0	0	0	113.5	G700 P724 L727	G700-T702 PolarHBondContact O-N 3.08Å; T702-P724 WeakPolarHBondContact CG2-O 3.33Å; T702-L727 HydrophobicContact CG2-CB 4.07Å; T702-L727 HydrophobicContact CG2-CD2 3.9Å
703	V	92.2	Very high	93.4	Very high	64 Å²	64	32.9 Å²	32.9	39%	0.388	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-8.1	-178	-59	0	0	0	0	113.1	F587 I699 G700 I701	F587-V703 HydrophobicContact CD1-CB 4.28Å; F587-V703 HydrophobicContact CD1-CG2 3.92Å; F587-V703 HydrophobicContact CE1-CB 4.48Å; F587-V703 HydrophobicContact CE1-CG2 4.46Å; F587-V703 VanDerWaalsContact CE1-O 3.27Å; F587-V703 WeakPolarHBondContact CE1-O 3.11Å; I699-V703 HydrophobicContact CG2-CG2 3.65Å; G700-V703 VanDerWaalsContact O-CG2 3.27Å; G700-V703 WeakPolarHBondContact O-CG2 3.49Å; G700-V703 PolarHBondContact O-N 2.74Å; I701-V703 PolarHBondContact O-N 3.4Å
704	L	92.9	Very high	93.3	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.058	17%	0.166	C	C	.	.	S	Bend	trans	-72.2	144.6	-178.6	-74.4	176.4	0	0	0	111.5	T552 F553 I699 G700 I701 V708 L709	T552-L704 HydrophobicContact CG2-CD2 4.05Å; F553-L704 HydrophobicContact CD2-CD2 4.04Å; F553-L704 HydrophobicContact CE2-CD2 3.45Å; F553-L704 VanDerWaalsContact CE2-CD2 3.45Å; F553-L704 HydrophobicContact CZ-CD2 4.33Å; I699-L704 HydrophobicContact CB-CD2 4.15Å; I699-L704 HydrophobicContact CG2-CD2 3.74Å; I699-L704 HydrophobicContact CG2-CG 4.2Å; G700-L704 WeakPolarHBondContact O-CG 3.23Å; I701-L704 HydrophobicContact CG2-CD1 4.43Å; I701-L704 PolarHBondContact O-N 3.24Å; L704-V708 HydrophobicContact CD1-CG1 4.32Å; L704-V708 HydrophobicContact CD2-CG1 4.43Å; L704-L709 HydrophobicContact CB-CD2 3.84Å; L704-L709 HydrophobicContact CB-CG 4.18Å; L704-L709 HydrophobicContact CD1-CD2 4.15Å
705	P	93.7	Very high	93.2	Very high	48 Å²	48	34 Å²	34	31%	0.312	17%	0.172	S	C	.	.			trans	-58.8	146.6	171.1	-21.8	32.6	0	0	0	111.9	E707 V708 L709	P705-E707 WeakPolarHBondContact CB-OE2 3.31Å; P705-E707 PolarHBondContact O-N 3.3Å; P705-V708 HydrophobicContact CB-CG2 4.32Å; P705-V708 HydrophobicContact CG-CG2 4.37Å; P705-V708 WeakPolarHBondContact O-CB 3.49Å; P705-V708 PolarHBondContact O-N 3.45Å; P705-L709 PolarHBondContact O-N 3.31Å; P705-L709 VanDerWaalsContact O-N 3.16Å
706	R	92.9	Very high	93.2	Very high	159 Å²	159	34 Å²	34	60%	0.6	17%	0.172	S	C	*	.	H	α-helix	trans	-58.3	-35.7	-176.1	-175.4	175.4	179.3	179	-0.3	112.3	V708 L709 V710	R706-V708 VanDerWaalsContact C-N 3.3Å; R706-V708 PolarHBondContact O-N 3.46Å; R706-L709 WeakPolarHBondContact O-CB 3.42Å; R706-L709 PolarHBondContact O-N 3.26Å; R706-L709 VanDerWaalsContact O-N 3.16Å; R706-V710 HydrophobicContact CG-CG2 4.35Å; R706-V710 WeakPolarHBondContact O-CG2 3.44Å; R706-V710 PolarHBondContact O-N 3.01Å
707	E	92.8	Very high	93.3	Very high	131 Å²	131	34 Å²	34	61%	0.612	17%	0.172	S	C	*	.	H	α-helix	trans	-60.5	-42.9	179	-57	71.6	-152.6	0	0	110.8	P705 V710 E711	P705-E707 WeakPolarHBondContact CB-OE2 3.31Å; P705-E707 PolarHBondContact O-N 3.3Å; E707-V710 PolarHBondContact O-N 3.5Å; E707-E711 WeakPolarHBondContact O-CG 3.32Å; E707-E711 PolarHBondContact O-N 3.19Å
708	V	92.9	Very high	93.4	Very high	24 Å²	24	34 Å²	34	15%	0.145	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-36.1	177.5	-178.3	0	0	0	0	111.1	T552 F553 L704 P705 R706 R712	T552-V708 HydrophobicContact CG2-CG1 4.09Å; F553-V708 HydrophobicContact CZ-CG2 4.12Å; L704-V708 HydrophobicContact CD1-CG1 4.32Å; L704-V708 HydrophobicContact CD2-CG1 4.43Å; P705-V708 HydrophobicContact CB-CG2 4.32Å; P705-V708 HydrophobicContact CG-CG2 4.37Å; P705-V708 WeakPolarHBondContact O-CB 3.49Å; P705-V708 PolarHBondContact O-N 3.45Å; R706-V708 VanDerWaalsContact C-N 3.3Å; R706-V708 PolarHBondContact O-N 3.46Å; V708-R712 WeakPolarHBondContact O-CG 3.45Å; V708-R712 PolarHBondContact O-N 3.22Å
709	L	93.7	Very high	93.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-44.9	175.5	-63.8	179.1	0	0	0	111.6	I701 L704 P705 R706 E711 R712 I713 V716 I721 P724	I701-L709 HydrophobicContact CB-CD2 3.76Å; I701-L709 HydrophobicContact CG2-CD2 4.12Å; L704-L709 HydrophobicContact CB-CD2 3.84Å; L704-L709 HydrophobicContact CB-CG 4.18Å; L704-L709 HydrophobicContact CD1-CD2 4.15Å; P705-L709 PolarHBondContact O-N 3.31Å; P705-L709 VanDerWaalsContact O-N 3.16Å; R706-L709 WeakPolarHBondContact O-CB 3.42Å; R706-L709 PolarHBondContact O-N 3.26Å; R706-L709 VanDerWaalsContact O-N 3.16Å; L709-E711 VanDerWaalsContact C-N 3.34Å; L709-E711 PolarHBondContact O-N 2.99Å; L709-R712 WeakPolarHBondContact O-CB 3.24Å; L709-R712 PolarHBondContact O-N 3.4Å; L709-R712 VanDerWaalsContact O-N 3.1Å; L709-I713 PolarHBondContact O-N 2.91Å; L709-V716 HydrophobicContact CD2-CG2 4.43Å; L709-I721 HydrophobicContact CB-CD1 3.85Å; L709-P724 HydrophobicContact CD1-CB 4.42Å; L709-P724 HydrophobicContact CD1-CG 3.78Å
710	V	93.4	Very high	93.6	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-37.9	178.1	174.3	0	0	0	0	111.4	R706 E707 R712 I713 I721 S756	R706-V710 HydrophobicContact CG-CG2 4.35Å; R706-V710 WeakPolarHBondContact O-CG2 3.44Å; R706-V710 PolarHBondContact O-N 3.01Å; E707-V710 PolarHBondContact O-N 3.5Å; V710-R712 PolarHBondContact O-N 3.32Å; V710-I713 HydrophobicContact CG1-CD1 4.21Å; V710-I713 WeakPolarHBondContact O-CB 3.29Å; V710-I713 WeakPolarHBondContact O-CG1 3.29Å; V710-I713 PolarHBondContact O-N 3.18Å; V710-I713 VanDerWaalsContact O-N 3.07Å; V710-I721 HydrophobicContact CG2-CG2 4.45Å; V710-S756 WeakPolarHBondContact CG1-O 3.46Å
711	E	91.6	Very high	93.8	Very high	114 Å²	114	34.1 Å²	34.1	53%	0.533	17%	0.165	S	C	.	.	H	α-helix	trans	-61.2	-30.2	174.3	-77.2	-178.1	-178.8	0	0	113.4	E707 L709 I713 K759	E707-E711 WeakPolarHBondContact O-CG 3.32Å; E707-E711 PolarHBondContact O-N 3.19Å; L709-E711 VanDerWaalsContact C-N 3.34Å; L709-E711 PolarHBondContact O-N 2.99Å; E711-I713 VanDerWaalsContact C-N 3.32Å; E711-K759 PolarHBondContact O-NZ 2.76Å; E711-K759 VanDerWaalsContact O-NZ 3.11Å
712	R	93.1	Very high	93.8	Very high	30 Å²	30	41.7 Å²	41.7	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2	176.7	-68.4	-179.5	176.6	-165.3	3.5	113.7	T552 N670 V708 L709 V710 W715 V716	T552-R712 PolarHBondContact OG1-NH2 3.39Å; N670-R712 PolarHBondContact ND2-NH1 3.19Å; V708-R712 WeakPolarHBondContact O-CG 3.45Å; V708-R712 PolarHBondContact O-N 3.22Å; L709-R712 WeakPolarHBondContact O-CB 3.24Å; L709-R712 PolarHBondContact O-N 3.4Å; L709-R712 VanDerWaalsContact O-N 3.1Å; V710-R712 PolarHBondContact O-N 3.32Å; R712-W715 PolarHBondContact O-N 3.33Å; R712-V716 HydrophobicContact CB-CG2 3.58Å; R712-V716 PolarHBondContact O-N 3.4Å
713	I	94.7	Very high	93.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.7	165.8	-67.2	174.4	0	0	0	108.3	L709 V710 E711 I721 L751 K759 Y763	L709-I713 PolarHBondContact O-N 2.91Å; V710-I713 HydrophobicContact CG1-CD1 4.21Å; V710-I713 WeakPolarHBondContact O-CB 3.29Å; V710-I713 WeakPolarHBondContact O-CG1 3.29Å; V710-I713 PolarHBondContact O-N 3.18Å; V710-I713 VanDerWaalsContact O-N 3.07Å; E711-I713 VanDerWaalsContact C-N 3.32Å; I713-I721 HydrophobicContact CD1-CD1 4.22Å; I713-I721 HydrophobicContact CD1-CG1 4.23Å; I713-I721 HydrophobicContact CG1-CD1 4.06Å; I713-I721 HydrophobicContact CG1-CG1 4.3Å; I713-L751 HydrophobicContact CG2-CD1 4.27Å; I713-K759 HydrophobicContact CB-CB 4.16Å; I713-K759 HydrophobicContact CB-CD 4.16Å; I713-K759 HydrophobicContact CB-CG 4.42Å; I713-K759 HydrophobicContact CD1-CB 4.15Å; I713-K759 HydrophobicContact CG2-CB 3.91Å; I713-K759 HydrophobicContact CG2-CD 4.39Å; I713-K759 HydrophobicContact CG2-CG 4.14Å; I713-K759 PolarHBondContact O-NZ 3.09Å; I713-Y763 HydrophobicContact CB-CE2 4.45Å; I713-Y763 HydrophobicContact CD1-CD2 3.84Å; I713-Y763 HydrophobicContact CD1-CE2 3.74Å; I713-Y763 HydrophobicContact CG1-CD2 4.29Å; I713-Y763 HydrophobicContact CG1-CE2 3.66Å; I713-Y763 HydrophobicContact CG2-CE1 3.98Å; I713-Y763 HydrophobicContact CG2-CE2 4.09Å
714	P	94.8	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.8	11.4	16.4	32.3	-21.9	0	0	0	117.6	W734 T738 P750 L751 Y763 L769	P714-W734 PolarHBondContact O-NE1 3.23Å; P714-T738 HydrophobicContact CB-CG2 4.29Å; P714-T738 HydrophobicContact CG-CG2 3.81Å; P714-T738 PolarHBondContact O-OG1 2.95Å; P714-P750 HydrophobicContact CG-CB 3.66Å; P714-P750 HydrophobicContact CG-CG 3.73Å; P714-L751 HydrophobicContact CB-CD1 4.05Å; P714-L751 HydrophobicContact CG-CD1 3.98Å; P714-L751 HydrophobicContact CG-CG 4.23Å; P714-Y763 VanDerWaalsContact CA-OH 3.25Å; P714-Y763 WeakPolarHBondContact CA-OH 3.22Å; P714-Y763 PolarHBondContact O-OH 2.92Å; P714-Y763 VanDerWaalsContact O-OH 3.08Å; P714-L769 HydrophobicContact CB-CD2 4.45Å; P714-L769 HydrophobicContact CG-CD2 4.04Å
715	W	95.7	Very high	93.4	Very high	33 Å²	33	47.6 Å²	47.6	13%	0.125	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-29.1	179.9	-63.5	-90.9	0	0	0	113.6	V671 C672 R712 T738 E742 K749 P750	V671-W715 VanDerWaalsContact O-CD1 3.32Å; C672-W715 VanDerWaalsContact CB-CD1 3.42Å; C672-W715 HydrophobicContact CB-CD2 4.18Å; C672-W715 HydrophobicContact CB-CG 3.91Å; R712-W715 PolarHBondContact O-N 3.33Å; W715-T738 HydrophobicContact CD2-CG2 4.07Å; W715-T738 HydrophobicContact CG-CG2 3.81Å; W715-E742 PolarHBondContact NE1-OE2 3.32Å; W715-K749 HydrophobicContact CH2-CB 4.34Å; W715-K749 HydrophobicContact CH2-CD 4.08Å; W715-K749 HydrophobicContact CH2-CG 3.68Å; W715-K749 HydrophobicContact CZ3-CD 4.29Å; W715-K749 HydrophobicContact CZ3-CG 4.13Å; W715-P750 HydrophobicContact CH2-CG 4.41Å; W715-P750 HydrophobicContact CZ2-CG 4.2Å
716	V	95.8	Very high	93.2	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	23%	0.229	C	C	.	.	S	Bend	trans	-81.9	119.9	172.8	179.2	0	0	0	0	108.2	I701 L709 R712 C720 I721 Y763	I701-V716 HydrophobicContact CD1-CG1 4.49Å; I701-V716 HydrophobicContact CG2-CG2 4.49Å; L709-V716 HydrophobicContact CD2-CG2 4.43Å; R712-V716 HydrophobicContact CB-CG2 3.58Å; R712-V716 PolarHBondContact O-N 3.4Å; V716-C720 HydrophobicContact CG1-CB 3.95Å; V716-I721 HydrophobicContact CB-CD1 4.01Å; V716-I721 HydrophobicContact CG1-CD1 3.53Å; V716-I721 HydrophobicContact CG1-CG1 4.04Å; V716-Y763 WeakPolarHBondContact O-CE2 3.41Å; V716-Y763 PolarHBondContact O-OH 2.87Å
717	P	96.3	Very high	93.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.209	C	C	.	.			trans	-71.5	157.3	-174.5	33.9	-40.1	0	0	0	112.1	E719 C720 I721 T731 W734	P717-E719 VanDerWaalsContact C-N 3.33Å; P717-E719 WeakPolarHBondContact CB-OE1 3.49Å; P717-E719 WeakPolarHBondContact CB-OE2 3.42Å; P717-E719 WeakPolarHBondContact CG-OE1 3.22Å; P717-E719 PolarHBondContact O-N 3.32Å; P717-C720 HydrophobicContact CG-CB 3.96Å; P717-C720 PolarHBondContact O-N 3.16Å; P717-I721 PolarHBondContact O-N 3.5Å; P717-T731 HydrophobicContact CG-CG2 3.53Å; P717-W734 HydrophobicContact CB-CB 3.88Å; P717-W734 HydrophobicContact CB-CD2 3.84Å; P717-W734 HydrophobicContact CB-CE3 4.43Å; P717-W734 HydrophobicContact CB-CG 3.55Å
718	P	95.9	Very high	93.1	Very high	10 Å²	10	38.6 Å²	38.6	7%	0.065	19%	0.194	C	C	.	.	H	α-helix	trans	-56.6	-41.9	-173.7	22	-34	0	0	0	113	C720 I721 E722 W734 Y763 Y787	P718-C720 PolarHBondContact O-N 3.27Å; P718-C720 VanDerWaalsContact O-N 3.16Å; P718-I721 WeakPolarHBondContact O-CB 3.35Å; P718-I721 PolarHBondContact O-N 3.44Å; P718-E722 PolarHBondContact O-N 3.32Å; P718-W734 HydrophobicContact CG-CH2 4.02Å; P718-W734 HydrophobicContact CG-CZ3 4.09Å; P718-Y763 HydrophobicContact CB-CD2 3.91Å; P718-Y763 HydrophobicContact CB-CE2 4.25Å; P718-Y763 HydrophobicContact CB-CG 4.24Å; P718-Y787 HydrophobicContact CB-CD1 4.1Å; P718-Y787 HydrophobicContact CB-CE1 4.17Å; P718-Y787 HydrophobicContact CG-CD1 3.62Å; P718-Y787 HydrophobicContact CG-CE1 3.94Å; P718-Y787 HydrophobicContact CG-CG 4.46Å
719	E	94.1	Very high	93	Very high	18 Å²	18	39.8 Å²	39.8	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-23.8	-179.3	69.2	-82	-172.8	0	0	113.7	P717 N723 N726 P789 R792	P717-E719 VanDerWaalsContact C-N 3.33Å; P717-E719 WeakPolarHBondContact CB-OE1 3.49Å; P717-E719 WeakPolarHBondContact CB-OE2 3.42Å; P717-E719 WeakPolarHBondContact CG-OE1 3.22Å; P717-E719 PolarHBondContact O-N 3.32Å; E719-N723 PolarHBondContact O-N 3.24Å; E719-N723 VanDerWaalsContact O-N 3.13Å; E719-N723 VanDerWaalsContact O-O 3.06Å; E719-N726 HydrophobicContact CB-CB 4.42Å; E719-N726 HydrophobicContact CG-CB 4.27Å; E719-N726 PolarHBondContact O-ND2 2.94Å; E719-P789 HydrophobicContact CB-CG 4.33Å; E719-P789 HydrophobicContact CG-CG 3.89Å; E719-R792 IonicContact OE1-CZ 2.59Å; E719-R792 IonicContact OE1-NH1 2.73Å; E719-R792 PolarHBondContact OE1-NH1 3.28Å; E719-R792 IonicContact OE1-NH2 2.78Å; E719-R792 PolarHBondContact OE1-NH2 3.48Å; E719-R792 IonicContact OE2-CZ 2.9Å; E719-R792 IonicContact OE2-NH1 2.63Å; E719-R792 IonicContact OE2-NH2 2.74Å; E719-R792 PolarHBondContact OE2-NH2 2.89Å
720	C	94.8	Very high	93.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-88.4	-21.1	175.7	-67.8	0	0	0	0	112.6	I701 V716 P717 P718 N723 P724	I701-C720 HydrophobicContact CD1-CB 3.9Å; V716-C720 HydrophobicContact CG1-CB 3.95Å; P717-C720 HydrophobicContact CG-CB 3.96Å; P717-C720 PolarHBondContact O-N 3.16Å; P718-C720 PolarHBondContact O-N 3.27Å; P718-C720 VanDerWaalsContact O-N 3.16Å; C720-N723 CarbonylContact O-C 3.54Å; C720-P724 WeakPolarHBondContact O-CA 3.43Å
721	I	94.6	Very high	93.2	Very high	14 Å²	14	40 Å²	40	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-72.5	-40	168.8	-60.9	-62	0	0	0	110.1	L709 V710 I713 V716 P717 P718 Y763	L709-I721 HydrophobicContact CB-CD1 3.85Å; V710-I721 HydrophobicContact CG2-CG2 4.45Å; I713-I721 HydrophobicContact CD1-CD1 4.22Å; I713-I721 HydrophobicContact CD1-CG1 4.23Å; I713-I721 HydrophobicContact CG1-CD1 4.06Å; I713-I721 HydrophobicContact CG1-CG1 4.3Å; V716-I721 HydrophobicContact CB-CD1 4.01Å; V716-I721 HydrophobicContact CG1-CD1 3.53Å; V716-I721 HydrophobicContact CG1-CG1 4.04Å; P717-I721 PolarHBondContact O-N 3.5Å; P718-I721 WeakPolarHBondContact O-CB 3.35Å; P718-I721 PolarHBondContact O-N 3.44Å; I721-Y763 HydrophobicContact CG1-CD2 4.23Å; I721-Y763 HydrophobicContact CG1-CE2 3.97Å
722	E	91.6	Very high	93.5	Very high	162 Å²	162	34.7 Å²	34.7	76%	0.757	18%	0.178	S	C	*	.	H	α-helix	trans	-67	-50.9	175.5	-69.5	177.6	-176	0	0	111.7	P718	P718-E722 PolarHBondContact O-N 3.32Å
723	N	91.4	Very high	93.7	Very high	72 Å²	72	34.4 Å²	34.4	39%	0.385	18%	0.177	S	C	.	.			trans	-144.4	109.5	175.2	-179.6	1.2	0	0	0	110.6	E719 C720 Q725 N726	E719-N723 PolarHBondContact O-N 3.24Å; E719-N723 VanDerWaalsContact O-N 3.13Å; E719-N723 VanDerWaalsContact O-O 3.06Å; C720-N723 CarbonylContact O-C 3.54Å; N723-Q725 PolarHBondContact O-N 3.36Å; N723-Q725 WeakPolarHBondContact OD1-CB 3.37Å; N723-Q725 PolarHBondContact OD1-N 2.9Å; N723-N726 WeakPolarHBondContact O-CB 3.35Å; N723-N726 PolarHBondContact O-N 3.45Å
724	P	89.4	Confident	93.8	Very high	33 Å²	33	34.4 Å²	34.4	21%	0.214	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.6	-20.8	-180	-26.8	35	0	0	0	114.8	T702 L709 C720 N726 L727	T702-P724 WeakPolarHBondContact CG2-O 3.33Å; L709-P724 HydrophobicContact CD1-CB 4.42Å; L709-P724 HydrophobicContact CD1-CG 3.78Å; C720-P724 WeakPolarHBondContact O-CA 3.43Å; P724-N726 PolarHBondContact O-N 3.38Å; P724-L727 PolarHBondContact O-N 2.74Å
725	Q	88.4	Confident	93.9	Very high	135 Å²	135	34.5 Å²	34.5	63%	0.631	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-71.7	-11.8	176.3	-58.9	-58.4	-34.4	0	0	113.6	N723 L727	N723-Q725 PolarHBondContact O-N 3.36Å; N723-Q725 WeakPolarHBondContact OD1-CB 3.37Å; N723-Q725 PolarHBondContact OD1-N 2.9Å; Q725-L727 PolarHBondContact O-N 2.82Å; Q725-L727 VanDerWaalsContact O-N 3.15Å
726	N	88.6	Confident	94.1	Very high	71 Å²	71	33 Å²	33	38%	0.38	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-75.3	8.6	174.9	-68.3	-19.6	0	0	0	113.7	E719 N723 P724 S728	E719-N726 HydrophobicContact CB-CB 4.42Å; E719-N726 HydrophobicContact CG-CB 4.27Å; E719-N726 PolarHBondContact O-ND2 2.94Å; N723-N726 WeakPolarHBondContact O-CB 3.35Å; N723-N726 PolarHBondContact O-N 3.45Å; P724-N726 PolarHBondContact O-N 3.38Å; N726-S728 PolarHBondContact O-N 2.75Å; N726-S728 VanDerWaalsContact O-N 3.12Å
727	L	90.6	Very high	94.1	Very high	34 Å²	34	32.7 Å²	32.7	18%	0.178	17%	0.171	C	C	.	.			trans	-53.9	115.6	176.4	177.8	69.2	0	0	0	111.2	V667 I701 T702 P724 Q725 T731	V667-L727 HydrophobicContact CG1-CD1 3.58Å; V667-L727 HydrophobicContact CG1-CD2 4.48Å; V667-L727 HydrophobicContact CG1-CG 3.88Å; I701-L727 HydrophobicContact CD1-CD1 3.76Å; I701-L727 HydrophobicContact CG1-CD1 4.03Å; T702-L727 HydrophobicContact CG2-CB 4.07Å; T702-L727 HydrophobicContact CG2-CD2 3.9Å; P724-L727 PolarHBondContact O-N 2.74Å; Q725-L727 PolarHBondContact O-N 2.82Å; Q725-L727 VanDerWaalsContact O-N 3.15Å; L727-T731 HydrophobicContact CD1-CG2 3.78Å
728	S	92.8	Very high	94.1	Very high	43 Å²	43	32.7 Å²	32.7	30%	0.301	17%	0.171	S	C	.	.			trans	-142.3	174.5	-174.8	68	0	0	0	0	111.8	V667 N726 A730 T731	V667-S728 VanDerWaalsContact CG1-O 3.27Å; V667-S728 WeakPolarHBondContact CG1-O 3.29Å; V667-S728 VanDerWaalsContact CG2-C 3.48Å; N726-S728 PolarHBondContact O-N 2.75Å; N726-S728 VanDerWaalsContact O-N 3.12Å; S728-A730 PolarHBondContact O-N 2.96Å; S728-A730 VanDerWaalsContact O-N 3.12Å; S728-A730 PolarHBondContact OG-N 3.02Å; S728-T731 PolarHBondContact N-OG1 3.41Å; S728-T731 WeakPolarHBondContact O-CB 3.36Å; S728-T731 PolarHBondContact O-N 3.27Å; S728-T731 PolarHBondContact O-OG1 3.38Å; S728-T731 VanDerWaalsContact O-OG1 3.13Å
729	L	92.6	Very high	94.1	Very high	50 Å²	50	32.2 Å²	32.2	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-57.4	-25.1	172.8	-67.8	174.5	0	0	0	112.4	E662 V666 V667 T731 D732	E662-L729 HydrophobicContact CG-CD1 4.44Å; V666-L729 WeakPolarHBondContact O-CD2 3.44Å; V667-L729 HydrophobicContact CG2-CD2 3.98Å; V667-L729 HydrophobicContact CG2-CG 4.3Å; L729-T731 VanDerWaalsContact C-N 3.3Å; L729-T731 PolarHBondContact O-N 2.91Å; L729-D732 PolarHBondContact O-N 3.33Å
730	A	94.2	Very high	94.1	Very high	11 Å²	11	31.5 Å²	31.5	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-70.4	-26	175.9	0	0	0	0	0	113.1	S728 D732 K733 W734 P789 R792	S728-A730 PolarHBondContact O-N 2.96Å; S728-A730 VanDerWaalsContact O-N 3.12Å; S728-A730 PolarHBondContact OG-N 3.02Å; A730-D732 VanDerWaalsContact C-N 3.28Å; A730-D732 PolarHBondContact O-N 2.85Å; A730-K733 PolarHBondContact O-N 2.83Å; A730-W734 PolarHBondContact O-N 2.91Å; A730-P789 HydrophobicContact CB-CB 3.62Å; A730-P789 WeakPolarHBondContact CB-O 3.24Å; A730-R792 VanDerWaalsContact C-NH1 3.31Å; A730-R792 WeakPolarHBondContact O-CD 3.49Å; A730-R792 PolarHBondContact O-NH1 2.99Å
731	T	96.2	Very high	94.1	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-41.7	175.9	-53.4	0	0	0	0	110.8	I701 P717 L727 S728 L729 K733 W734 G735	I701-T731 HydrophobicContact CD1-CG2 4.21Å; P717-T731 HydrophobicContact CG-CG2 3.53Å; L727-T731 HydrophobicContact CD1-CG2 3.78Å; S728-T731 PolarHBondContact N-OG1 3.41Å; S728-T731 WeakPolarHBondContact O-CB 3.36Å; S728-T731 PolarHBondContact O-N 3.27Å; S728-T731 PolarHBondContact O-OG1 3.38Å; S728-T731 VanDerWaalsContact O-OG1 3.13Å; L729-T731 VanDerWaalsContact C-N 3.3Å; L729-T731 PolarHBondContact O-N 2.91Å; T731-K733 VanDerWaalsContact C-N 3.34Å; T731-K733 PolarHBondContact O-N 3.44Å; T731-W734 PolarHBondContact O-N 2.9Å; T731-G735 PolarHBondContact O-N 3.4Å
732	D	97.5	Very high	94	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-30.7	-179.1	-79.5	-17.5	0	0	0	113.3	M658 V667 H668 G669 L729 A730 G735 F736 F795	M658-D732 HydrophobicContact CE-CB 3.52Å; V667-D732 WeakPolarHBondContact CA-OD2 3.44Å; H668-D732 PolarHBondContact N-OD2 3.31Å; G669-D732 PolarHBondContact N-OD1 3.23Å; L729-D732 PolarHBondContact O-N 3.33Å; A730-D732 VanDerWaalsContact C-N 3.28Å; A730-D732 PolarHBondContact O-N 2.85Å; D732-G735 PolarHBondContact O-N 3.04Å; D732-F736 VanDerWaalsContact O-CB 3.25Å; D732-F736 WeakPolarHBondContact O-CB 3.44Å; D732-F736 PolarHBondContact O-N 3.47Å; D732-F795 HydrophobicContact CB-CE2 4.38Å; D732-F795 HydrophobicContact CB-CZ 4.46Å
733	K	97.4	Very high	94.1	Very high	23 Å²	23	24.8 Å²	24.8	10%	0.1	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-43.3	174.2	-65.7	165.2	-179.4	166.2	0	110.9	E662 A730 T731 F736 G737 C784 R792 P793 F795	E662-K733 WeakPolarHBondContact OE1-CE 3.46Å; E662-K733 IonicContact OE1-NZ 3.52Å; E662-K733 PolarHBondContact OE1-NZ 2.9Å; A730-K733 PolarHBondContact O-N 2.83Å; T731-K733 VanDerWaalsContact C-N 3.34Å; T731-K733 PolarHBondContact O-N 3.44Å; K733-F736 WeakPolarHBondContact O-CB 3.46Å; K733-F736 PolarHBondContact O-N 2.93Å; K733-G737 PolarHBondContact O-N 3.38Å; K733-C784 WeakPolarHBondContact O-CB 3.24Å; K733-R792 HydrophobicContact CB-CB 3.95Å; K733-R792 HydrophobicContact CD-CB 3.81Å; K733-R792 HydrophobicContact CG-CB 4.49Å; K733-P793 WeakPolarHBondContact CD-O 3.3Å; K733-P793 WeakPolarHBondContact CE-O 3.42Å; K733-F795 HydrophobicContact CG-CE2 3.91Å; K733-F795 HydrophobicContact CG-CZ 4.07Å
734	W	97.8	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-47.4	174.1	-178.9	-75.9	0	0	0	112.1	P714 P717 P718 A730 T731 F736 G737 T738 Y763 C784 M785 D786 Y787	P714-W734 PolarHBondContact O-NE1 3.23Å; P717-W734 HydrophobicContact CB-CB 3.88Å; P717-W734 HydrophobicContact CB-CD2 3.84Å; P717-W734 HydrophobicContact CB-CE3 4.43Å; P717-W734 HydrophobicContact CB-CG 3.55Å; P718-W734 HydrophobicContact CG-CH2 4.02Å; P718-W734 HydrophobicContact CG-CZ3 4.09Å; A730-W734 PolarHBondContact O-N 2.91Å; T731-W734 PolarHBondContact O-N 2.9Å; W734-F736 VanDerWaalsContact C-N 3.29Å; W734-F736 PolarHBondContact O-N 3.23Å; W734-G737 PolarHBondContact O-N 3.35Å; W734-T738 PolarHBondContact O-N 3.18Å; W734-T738 PolarHBondContact O-OG1 2.78Å; W734-T738 VanDerWaalsContact O-OG1 3.11Å; W734-Y763 HydrophobicContact CH2-CE1 4.41Å; W734-Y763 AromaticContact CZ2-CE1 3.77Å; W734-Y763 HydrophobicContact CZ2-CE1 3.77Å; W734-Y763 AromaticContact CZ2-CZ 3.89Å; W734-C784 WeakPolarHBondContact CA-O 3.37Å; W734-C784 PolarHBondContact N-O 3.47Å; W734-M785 HydrophobicContact CD2-CB 4.35Å; W734-M785 HydrophobicContact CD2-CG 4.35Å; W734-M785 HydrophobicContact CE3-CB 4.08Å; W734-M785 HydrophobicContact CH2-CB 4.35Å; W734-M785 HydrophobicContact CH2-CE 4.3Å; W734-M785 HydrophobicContact CZ2-CE 3.65Å; W734-M785 VanDerWaalsContact CZ3-C 3.43Å; W734-M785 HydrophobicContact CZ3-CB 4.09Å; W734-M785 WeakPolarHBondContact CZ3-O 3.48Å; W734-D786 WeakPolarHBondContact CZ3-O 3.29Å; W734-Y787 HydrophobicContact CH2-CD1 4.41Å; W734-Y787 HydrophobicContact CH2-CD2 4.27Å; W734-Y787 HydrophobicContact CH2-CE1 4.15Å; W734-Y787 HydrophobicContact CH2-CE2 4.02Å; W734-Y787 HydrophobicContact CH2-CG 4.45Å; W734-Y787 AromaticContact CH2-CZ 3.94Å; W734-Y787 HydrophobicContact CZ3-CD2 4.36Å; W734-Y787 HydrophobicContact CZ3-CG 4.41Å
735	G	97.2	Very high	93.9	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-41.2	175.8	0	0	0	0	0	112.1	T731 D732 T738 T739	T731-G735 PolarHBondContact O-N 3.4Å; D732-G735 PolarHBondContact O-N 3.04Å; G735-T738 PolarHBondContact O-N 2.74Å; G735-T739 VanDerWaalsContact O-CB 3.31Å; G735-T739 WeakPolarHBondContact O-CB 3.32Å; G735-T739 PolarHBondContact O-N 2.89Å; G735-T739 PolarHBondContact O-OG1 3.12Å
736	F	98	Very high	93.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-49.2	173.4	178.7	-91.4	0	0	0	112.1	L654 A655 M658 D732 K733 W734 T738 T739 L740 F795 I798 L802	L654-F736 HydrophobicContact CB-CE2 4.13Å; L654-F736 HydrophobicContact CD2-CD2 3.62Å; L654-F736 HydrophobicContact CD2-CE2 3.71Å; L654-F736 HydrophobicContact CG-CD2 3.8Å; L654-F736 HydrophobicContact CG-CE2 3.76Å; A655-F736 HydrophobicContact CB-CE2 3.95Å; A655-F736 HydrophobicContact CB-CZ 3.94Å; M658-F736 HydrophobicContact CG-CD2 4.26Å; D732-F736 VanDerWaalsContact O-CB 3.25Å; D732-F736 WeakPolarHBondContact O-CB 3.44Å; D732-F736 PolarHBondContact O-N 3.47Å; K733-F736 WeakPolarHBondContact O-CB 3.46Å; K733-F736 PolarHBondContact O-N 2.93Å; W734-F736 VanDerWaalsContact C-N 3.29Å; W734-F736 PolarHBondContact O-N 3.23Å; F736-T738 VanDerWaalsContact C-N 3.34Å; F736-T738 PolarHBondContact O-N 2.65Å; F736-T739 CarbonylContact O-C 3.47Å; F736-T739 WeakPolarHBondContact O-CB 2.79Å; F736-T739 PolarHBondContact O-N 3.25Å; F736-T739 VanDerWaalsContact O-N 3.14Å; F736-L740 HydrophobicContact CE1-CD2 3.99Å; F736-L740 WeakPolarHBondContact O-CB 2.92Å; F736-L740 PolarHBondContact O-N 3.38Å; F736-F795 HydrophobicContact CB-CE1 3.89Å; F736-F795 HydrophobicContact CB-CZ 4.08Å; F736-F795 HydrophobicContact CD1-CE1 4.25Å; F736-F795 AromaticContact CD2-CE1 3.9Å; F736-F795 HydrophobicContact CD2-CE1 3.9Å; F736-F795 AromaticContact CG-CE1 3.74Å; F736-F795 HydrophobicContact CG-CE1 3.74Å; F736-F795 HydrophobicContact CG-CZ 4.44Å; F736-I798 HydrophobicContact CD1-CD1 4.24Å; F736-I798 HydrophobicContact CD1-CG2 4.24Å; F736-I798 HydrophobicContact CE1-CD1 4.48Å; F736-I798 HydrophobicContact CE1-CG2 3.46Å; F736-I798 VanDerWaalsContact CE1-CG2 3.46Å; F736-I798 HydrophobicContact CZ-CG2 3.78Å; F736-L802 HydrophobicContact CZ-CD1 4.15Å
737	G	96.5	Very high	93.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.2	-44.4	177.9	0	0	0	0	0	112.8	K733 W734 T739 L740 W741	K733-G737 PolarHBondContact O-N 3.38Å; W734-G737 PolarHBondContact O-N 3.35Å; G737-T739 VanDerWaalsContact C-N 3.35Å; G737-T739 PolarHBondContact O-N 3.43Å; G737-L740 PolarHBondContact O-N 3.24Å; G737-W741 PolarHBondContact O-N 2.79Å
738	T	95.8	Very high	93.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-39.9	175.7	-54.5	0	0	0	0	111.9	P714 W715 W734 G735 F736 W741 E742 P750 L769 M785	P714-T738 HydrophobicContact CB-CG2 4.29Å; P714-T738 HydrophobicContact CG-CG2 3.81Å; P714-T738 PolarHBondContact O-OG1 2.95Å; W715-T738 HydrophobicContact CD2-CG2 4.07Å; W715-T738 HydrophobicContact CG-CG2 3.81Å; W734-T738 PolarHBondContact O-N 3.18Å; W734-T738 PolarHBondContact O-OG1 2.78Å; W734-T738 VanDerWaalsContact O-OG1 3.11Å; G735-T738 PolarHBondContact O-N 2.74Å; F736-T738 VanDerWaalsContact C-N 3.34Å; F736-T738 PolarHBondContact O-N 2.65Å; T738-W741 WeakPolarHBondContact O-CB 3.47Å; T738-W741 PolarHBondContact O-N 3.01Å; T738-E742 PolarHBondContact O-N 3.17Å; T738-P750 HydrophobicContact CG2-CG 3.89Å; T738-L769 HydrophobicContact CG2-CD1 4.43Å; T738-M785 WeakPolarHBondContact OG1-CE 3.15Å
739	T	96.8	Very high	93.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-37.9	177.6	-57.2	0	0	0	0	111.9	L654 V671 C672 A673 I676 G735 F736 G737 W741 E742 I743	L654-T739 HydrophobicContact CD2-CG2 3.99Å; V671-T739 PolarHBondContact O-OG1 3.05Å; V671-T739 VanDerWaalsContact O-OG1 3.06Å; C672-T739 VanDerWaalsContact CA-OG1 3.27Å; C672-T739 WeakPolarHBondContact CA-OG1 3.41Å; A673-T739 HydrophobicContact CB-CG2 4.37Å; I676-T739 HydrophobicContact CD1-CG2 3.59Å; G735-T739 VanDerWaalsContact O-CB 3.31Å; G735-T739 WeakPolarHBondContact O-CB 3.32Å; G735-T739 PolarHBondContact O-N 2.89Å; G735-T739 PolarHBondContact O-OG1 3.12Å; F736-T739 CarbonylContact O-C 3.47Å; F736-T739 WeakPolarHBondContact O-CB 2.79Å; F736-T739 PolarHBondContact O-N 3.25Å; F736-T739 VanDerWaalsContact O-N 3.14Å; G737-T739 VanDerWaalsContact C-N 3.35Å; G737-T739 PolarHBondContact O-N 3.43Å; T739-W741 VanDerWaalsContact C-N 3.32Å; T739-W741 PolarHBondContact O-N 2.89Å; T739-E742 WeakPolarHBondContact O-CB 3.5Å; T739-E742 PolarHBondContact O-N 3.17Å; T739-I743 HydrophobicContact CG2-CD1 4.15Å; T739-I743 VanDerWaalsContact O-CG1 3.3Å; T739-I743 WeakPolarHBondContact O-CG1 3.46Å; T739-I743 PolarHBondContact O-N 2.93Å
740	L	94.6	Very high	93.2	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-62.5	-42.6	175.1	-174.8	57.8	0	0	0	110.5	A651 F736 G737 E742 I743 C744 L777 L780 I781	A651-L740 HydrophobicContact CB-CD1 3.56Å; F736-L740 HydrophobicContact CE1-CD2 3.99Å; F736-L740 WeakPolarHBondContact O-CB 2.92Å; F736-L740 PolarHBondContact O-N 3.38Å; G737-L740 PolarHBondContact O-N 3.24Å; L740-E742 VanDerWaalsContact C-N 3.34Å; L740-E742 PolarHBondContact O-N 3.43Å; L740-I743 PolarHBondContact O-N 3.12Å; L740-C744 PolarHBondContact O-N 3.41Å; L740-C744 PolarHBondContact O-SG 3.25Å; L740-L777 HydrophobicContact CD1-CD1 4.3Å; L740-L777 HydrophobicContact CD1-CD2 4.16Å; L740-L777 HydrophobicContact CD2-CD1 3.75Å; L740-L777 HydrophobicContact CD2-CG 4.15Å; L740-L777 HydrophobicContact CG-CD1 4.24Å; L740-L777 HydrophobicContact CG-CD2 4.26Å; L740-L777 HydrophobicContact CG-CG 4.27Å; L740-L780 HydrophobicContact CD2-CD2 4.11Å; L740-L780 HydrophobicContact CD2-CG 4.43Å; L740-I781 HydrophobicContact CB-CG1 4.08Å; L740-I781 HydrophobicContact CD2-CD1 4.44Å; L740-I781 HydrophobicContact CD2-CG1 3.74Å; L740-I781 HydrophobicContact CG-CD1 4.13Å; L740-I781 HydrophobicContact CG-CG1 3.87Å
741	W	94.1	Very high	93	Very high	29 Å²	29	15.1 Å²	15.1	11%	0.11	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-43.8	171.7	-173.1	97.5	0	0	0	112.6	G737 T738 T739 C744 S745 E748 P750 L769 P770 I781	G737-W741 PolarHBondContact O-N 2.79Å; T738-W741 WeakPolarHBondContact O-CB 3.47Å; T738-W741 PolarHBondContact O-N 3.01Å; T739-W741 VanDerWaalsContact C-N 3.32Å; T739-W741 PolarHBondContact O-N 2.89Å; W741-C744 PolarHBondContact O-N 3.44Å; W741-S745 WeakPolarHBondContact O-CB 3.49Å; W741-S745 PolarHBondContact O-N 3.28Å; W741-S745 PolarHBondContact O-OG 3.2Å; W741-E748 WeakPolarHBondContact CZ3-O 3.39Å; W741-P750 HydrophobicContact CD2-CB 4.3Å; W741-P750 HydrophobicContact CE3-CB 3.56Å; W741-P750 HydrophobicContact CE3-CG 3.7Å; W741-P750 HydrophobicContact CH2-CB 4.04Å; W741-P750 VanDerWaalsContact CZ3-CA 3.46Å; W741-P750 HydrophobicContact CZ3-CB 3.43Å; W741-P750 VanDerWaalsContact CZ3-CB 3.43Å; W741-P750 HydrophobicContact CZ3-CG 3.84Å; W741-L769 HydrophobicContact CB-CD1 4.02Å; W741-L769 HydrophobicContact CD2-CD1 4.14Å; W741-L769 HydrophobicContact CG-CD1 3.8Å; W741-P770 PolarHBondContact NE1-O 2.86Å; W741-I781 HydrophobicContact CB-CD1 4.19Å; W741-I781 HydrophobicContact CB-CG2 4.34Å
742	E	93.5	Very high	92.5	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-44.5	177.2	177.9	175.8	-148.3	0	0	111.6	A673 W715 T738 T739 L740 C744 S745 G746 G747	A673-E742 HydrophobicContact CB-CG 3.93Å; A673-E742 WeakPolarHBondContact CB-OE2 3.2Å; A673-E742 PolarHBondContact N-OE2 2.85Å; W715-E742 PolarHBondContact NE1-OE2 3.32Å; T738-E742 PolarHBondContact O-N 3.17Å; T739-E742 WeakPolarHBondContact O-CB 3.5Å; T739-E742 PolarHBondContact O-N 3.17Å; L740-E742 VanDerWaalsContact C-N 3.34Å; L740-E742 PolarHBondContact O-N 3.43Å; E742-C744 PolarHBondContact O-N 3.17Å; E742-S745 PolarHBondContact O-N 3.18Å; E742-G746 PolarHBondContact O-N 3.1Å; E742-G747 WeakPolarHBondContact O-CA 3.22Å; E742-G747 PolarHBondContact O-N 2.96Å
743	I	92	Very high	92.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-47.5	176	-67.8	165.1	0	0	0	110.6	L631 L635 K647 V650 T739 L740 S745 G746	L631-I743 HydrophobicContact CD2-CD1 4.07Å; L631-I743 HydrophobicContact CD2-CG1 3.92Å; L635-I743 HydrophobicContact CD1-CB 4.42Å; L635-I743 HydrophobicContact CD1-CG1 4.34Å; L635-I743 HydrophobicContact CD1-CG2 4.5Å; K647-I743 HydrophobicContact CB-CG2 3.78Å; K647-I743 HydrophobicContact CD-CG2 4.44Å; K647-I743 WeakPolarHBondContact CD-O 3.3Å; K647-I743 WeakPolarHBondContact CE-O 3.41Å; K647-I743 HydrophobicContact CG-CG2 3.89Å; V650-I743 HydrophobicContact CG1-CD1 4.15Å; T739-I743 HydrophobicContact CG2-CD1 4.15Å; T739-I743 VanDerWaalsContact O-CG1 3.3Å; T739-I743 WeakPolarHBondContact O-CG1 3.46Å; T739-I743 PolarHBondContact O-N 2.93Å; L740-I743 PolarHBondContact O-N 3.12Å; I743-S745 VanDerWaalsContact C-N 3.31Å; I743-S745 PolarHBondContact O-N 3.2Å; I743-G746 PolarHBondContact O-N 3.48Å; I743-G746 VanDerWaalsContact O-N 3.15Å
744	C	89.6	Confident	91.8	Very high	24 Å²	24	25.8 Å²	25.8	16%	0.162	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-39.4	-179.9	-66.7	0	0	0	0	112.5	K647 L740 W741 E742 G746 P772 L777	K647-C744 PolarHBondContact NZ-O 3.33Å; L740-C744 PolarHBondContact O-N 3.41Å; L740-C744 PolarHBondContact O-SG 3.25Å; W741-C744 PolarHBondContact O-N 3.44Å; E742-C744 PolarHBondContact O-N 3.17Å; C744-G746 PolarHBondContact O-N 2.82Å; C744-P772 HydrophobicContact CB-CB 4.2Å; C744-L777 WeakPolarHBondContact SG-CD2 3.41Å
745	S	88.4	Confident	91.6	Very high	31 Å²	31	29.6 Å²	29.6	22%	0.217	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.5	179.4	-58.4	0	0	0	0	113.7	W741 E742 I743 E748	W741-S745 WeakPolarHBondContact O-CB 3.49Å; W741-S745 PolarHBondContact O-N 3.28Å; W741-S745 PolarHBondContact O-OG 3.2Å; E742-S745 PolarHBondContact O-N 3.18Å; I743-S745 VanDerWaalsContact C-N 3.31Å; I743-S745 PolarHBondContact O-N 3.2Å; S745-E748 WeakPolarHBondContact O-CG 3.47Å
746	G	88.1	Confident	91.3	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	34.7	179.9	0	0	0	0	0	112.9	L635 K636 E742 I743 C744	L635-G746 CarbonylContact C-O 3.56Å; K636-G746 PolarHBondContact N-O 3.3Å; E742-G746 PolarHBondContact O-N 3.1Å; I743-G746 PolarHBondContact O-N 3.48Å; I743-G746 VanDerWaalsContact O-N 3.15Å; C744-G746 PolarHBondContact O-N 2.82Å
747	G	87	Confident	90.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	85	3.8	178.1	0	0	0	0	0	114.3	K636 E742 K749	K636-G747 WeakPolarHBondContact CE-O 3.4Å; E742-G747 WeakPolarHBondContact O-CA 3.22Å; E742-G747 PolarHBondContact O-N 2.96Å; G747-K749 PolarHBondContact O-N 2.73Å
748	E	88.6	Confident	90.8	Very high	79 Å²	79	41.7 Å²	41.7	37%	0.369	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-61.9	136.1	176.4	-61.9	-62.3	165.2	0	0	110.8	K639 W741 S745 P750	K639-E748 IonicContact NZ-OE1 3.79Å; K639-E748 PolarHBondContact NZ-OE1 3.42Å; W741-E748 WeakPolarHBondContact CZ3-O 3.39Å; S745-E748 WeakPolarHBondContact O-CG 3.47Å; E748-P750 VanDerWaalsContact O-CD 3.31Å; E748-P750 WeakPolarHBondContact O-CD 3.43Å
749	K	86.9	Confident	90.7	Very high	86 Å²	86	42.2 Å²	42.2	37%	0.374	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-72.8	119.5	177.5	170.5	163.5	-163.2	-167.5	0	109	W715 G747 S752	W715-K749 HydrophobicContact CH2-CB 4.34Å; W715-K749 HydrophobicContact CH2-CD 4.08Å; W715-K749 HydrophobicContact CH2-CG 3.68Å; W715-K749 HydrophobicContact CZ3-CD 4.29Å; W715-K749 HydrophobicContact CZ3-CG 4.13Å; G747-K749 PolarHBondContact O-N 2.73Å; K749-S752 VanDerWaalsContact O-CB 3.23Å; K749-S752 WeakPolarHBondContact O-CB 2.99Å; K749-S752 PolarHBondContact O-N 3.34Å; K749-S752 PolarHBondContact O-OG 2.78Å
750	P	86.4	Confident	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	143.4	176.7	12.3	-16	0	0	0	110.7	P714 W715 T738 W741 E748 S752 L769	P714-P750 HydrophobicContact CG-CB 3.66Å; P714-P750 HydrophobicContact CG-CG 3.73Å; W715-P750 HydrophobicContact CH2-CG 4.41Å; W715-P750 HydrophobicContact CZ2-CG 4.2Å; T738-P750 HydrophobicContact CG2-CG 3.89Å; W741-P750 HydrophobicContact CD2-CB 4.3Å; W741-P750 HydrophobicContact CE3-CB 3.56Å; W741-P750 HydrophobicContact CE3-CG 3.7Å; W741-P750 HydrophobicContact CH2-CB 4.04Å; W741-P750 VanDerWaalsContact CZ3-CA 3.46Å; W741-P750 HydrophobicContact CZ3-CB 3.43Å; W741-P750 VanDerWaalsContact CZ3-CB 3.43Å; W741-P750 HydrophobicContact CZ3-CG 3.84Å; E748-P750 VanDerWaalsContact O-CD 3.31Å; E748-P750 WeakPolarHBondContact O-CD 3.43Å; P750-S752 PolarHBondContact O-N 2.88Å; P750-S752 VanDerWaalsContact O-N 3.1Å; P750-L769 HydrophobicContact CB-CD1 4.29Å; P750-L769 HydrophobicContact CB-CD2 4.03Å
751	L	89.9	Confident	90.4	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.126	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	28	-180	-49.7	178.4	0	0	0	113.8	I713 P714 T753 L754 F762 L769	I713-L751 HydrophobicContact CG2-CD1 4.27Å; P714-L751 HydrophobicContact CB-CD1 4.05Å; P714-L751 HydrophobicContact CG-CD1 3.98Å; P714-L751 HydrophobicContact CG-CG 4.23Å; L751-T753 PolarHBondContact O-N 2.89Å; L751-L754 HydrophobicContact CB-CD1 4.11Å; L751-L754 HydrophobicContact CB-CG 4.35Å; L751-L754 HydrophobicContact CD2-CD1 3.98Å; L751-L754 HydrophobicContact CG-CD1 4.43Å; L751-L754 PolarHBondContact O-N 3.47Å; L751-L754 VanDerWaalsContact O-N 3.12Å; L751-F762 HydrophobicContact CD1-CD1 3.76Å; L751-F762 HydrophobicContact CD1-CD2 4.2Å; L751-F762 HydrophobicContact CD1-CE1 3.89Å; L751-F762 HydrophobicContact CD1-CE2 4.29Å; L751-F762 HydrophobicContact CD1-CG 3.95Å; L751-F762 HydrophobicContact CD1-CZ 4.15Å; L751-F762 HydrophobicContact CD2-CD2 4.16Å; L751-F762 HydrophobicContact CD2-CE2 3.98Å; L751-F762 HydrophobicContact CD2-CZ 4.38Å; L751-L769 HydrophobicContact CD1-CD2 4.24Å; L751-L769 HydrophobicContact CD2-CD2 4.12Å; L751-L769 HydrophobicContact CG-CD2 3.98Å
752	S	86.5	Confident	90.4	Very high	77 Å²	77	47.5 Å²	47.5	54%	0.538	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.1	-176.9	46.9	0	0	0	0	114.4	K749 P750 L754	K749-S752 VanDerWaalsContact O-CB 3.23Å; K749-S752 WeakPolarHBondContact O-CB 2.99Å; K749-S752 PolarHBondContact O-N 3.34Å; K749-S752 PolarHBondContact O-OG 2.78Å; P750-S752 PolarHBondContact O-N 2.88Å; P750-S752 VanDerWaalsContact O-N 3.1Å; S752-L754 VanDerWaalsContact C-N 3.34Å
753	T	89.2	Confident	90.4	Very high	128 Å²	128	48.1 Å²	48.1	79%	0.785	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.3	177.1	54.8	0	0	0	0	113.6	L751	L751-T753 PolarHBondContact O-N 2.89Å
754	L	91.3	Very high	90.4	Very high	50 Å²	50	54.9 Å²	54.9	26%	0.262	30%	0.3	S	S	.	.			trans	-95	135.1	-178.5	-56.7	-171.6	0	0	0	111.1	L751 S752 K758 K759	L751-L754 HydrophobicContact CB-CD1 4.11Å; L751-L754 HydrophobicContact CB-CG 4.35Å; L751-L754 HydrophobicContact CD2-CD1 3.98Å; L751-L754 HydrophobicContact CG-CD1 4.43Å; L751-L754 PolarHBondContact O-N 3.47Å; L751-L754 VanDerWaalsContact O-N 3.12Å; S752-L754 VanDerWaalsContact C-N 3.34Å; L754-K758 HydrophobicContact CB-CB 3.99Å; L754-K758 HydrophobicContact CD1-CB 4.42Å; L754-K758 HydrophobicContact CD2-CB 4.21Å; L754-K758 HydrophobicContact CD2-CD 4.08Å; L754-K758 HydrophobicContact CG-CB 4.43Å; L754-K759 HydrophobicContact CB-CG 4.02Å; L754-K759 WeakPolarHBondContact O-CE 3.17Å
755	D	92.4	Very high	90.6	Very high	80 Å²	80	58 Å²	58	43%	0.428	32%	0.315	S	S	.	.			trans	-73.2	171.9	167.4	60.4	46.9	0	0	0	111.7	S757 K758 K759	D755-S757 VanDerWaalsContact C-N 3.26Å; D755-S757 PolarHBondContact O-N 2.87Å; D755-S757 WeakPolarHBondContact OD1-CB 3.36Å; D755-S757 PolarHBondContact OD1-N 2.79Å; D755-S757 VanDerWaalsContact OD1-N 3.11Å; D755-K758 PolarHBondContact O-N 3.4Å; D755-K758 WeakPolarHBondContact OD1-CG 3.48Å; D755-K758 PolarHBondContact OD1-N 3.1Å; D755-K758 IonicContact OD2-NZ 2.79Å; D755-K759 WeakPolarHBondContact O-CG 3.4Å; D755-K759 PolarHBondContact O-N 3.44Å
756	S	91.4	Very high	90.8	Very high	53 Å²	53	65 Å²	65	37%	0.371	34%	0.337	S	S	.	.	H	α-helix	trans	-58.4	-34.2	-178	-59.8	0	0	0	0	113.5	V710 N760	V710-S756 WeakPolarHBondContact CG1-O 3.46Å; S756-N760 PolarHBondContact O-N 2.9Å; S756-N760 PolarHBondContact O-ND2 2.75Å
757	S	91	Very high	91	Very high	92 Å²	92	69.2 Å²	69.2	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-70.3	-45.5	179.1	-57.7	0	0	0	0	111.3	D755 K759 N760 L761	D755-S757 VanDerWaalsContact C-N 3.26Å; D755-S757 PolarHBondContact O-N 2.87Å; D755-S757 WeakPolarHBondContact OD1-CB 3.36Å; D755-S757 PolarHBondContact OD1-N 2.79Å; D755-S757 VanDerWaalsContact OD1-N 3.11Å; S757-K759 VanDerWaalsContact C-N 3.29Å; S757-K759 PolarHBondContact O-N 3.35Å; S757-N760 PolarHBondContact O-N 3.49Å; S757-L761 PolarHBondContact O-N 3.13Å; S757-L761 VanDerWaalsContact O-N 3.1Å
758	K	93.6	Very high	91.3	Very high	111 Å²	111	72.6 Å²	72.6	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-30.4	176.8	-69.4	175.8	-172.8	171.7	0	112.7	L754 D755 L761 F762	L754-K758 HydrophobicContact CB-CB 3.99Å; L754-K758 HydrophobicContact CD1-CB 4.42Å; L754-K758 HydrophobicContact CD2-CB 4.21Å; L754-K758 HydrophobicContact CD2-CD 4.08Å; L754-K758 HydrophobicContact CG-CB 4.43Å; D755-K758 PolarHBondContact O-N 3.4Å; D755-K758 WeakPolarHBondContact OD1-CG 3.48Å; D755-K758 PolarHBondContact OD1-N 3.1Å; D755-K758 IonicContact OD2-NZ 2.79Å; K758-L761 PolarHBondContact O-N 3.07Å; K758-F762 WeakPolarHBondContact O-CB 3.23Å; K758-F762 PolarHBondContact O-N 2.85Å
759	K	92.8	Very high	91.4	Very high	11 Å²	11	69.2 Å²	69.2	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-39.6	173	-77.2	174.5	172.8	-148.6	0	112.7	E711 I713 L754 D755 S757 F762 Y763	E711-K759 PolarHBondContact O-NZ 2.76Å; E711-K759 VanDerWaalsContact O-NZ 3.11Å; I713-K759 HydrophobicContact CB-CB 4.16Å; I713-K759 HydrophobicContact CB-CD 4.16Å; I713-K759 HydrophobicContact CB-CG 4.42Å; I713-K759 HydrophobicContact CD1-CB 4.15Å; I713-K759 HydrophobicContact CG2-CB 3.91Å; I713-K759 HydrophobicContact CG2-CD 4.39Å; I713-K759 HydrophobicContact CG2-CG 4.14Å; I713-K759 PolarHBondContact O-NZ 3.09Å; L754-K759 HydrophobicContact CB-CG 4.02Å; L754-K759 WeakPolarHBondContact O-CE 3.17Å; D755-K759 WeakPolarHBondContact O-CG 3.4Å; D755-K759 PolarHBondContact O-N 3.44Å; S757-K759 VanDerWaalsContact C-N 3.29Å; S757-K759 PolarHBondContact O-N 3.35Å; K759-F762 WeakPolarHBondContact O-CB 3.42Å; K759-F762 PolarHBondContact O-N 2.84Å; K759-Y763 PolarHBondContact O-N 3.04Å
760	N	91.6	Very high	91.4	Very high	39 Å²	39	69.1 Å²	69.1	21%	0.209	36%	0.364	C	S	.	.	H	α-helix	trans	-65.2	-45.3	172.7	-73	-43.7	0	0	0	111	S756 S757 F762 Y763 E764	S756-N760 PolarHBondContact O-N 2.9Å; S756-N760 PolarHBondContact O-ND2 2.75Å; S757-N760 PolarHBondContact O-N 3.49Å; N760-F762 PolarHBondContact O-N 3.3Å; N760-Y763 WeakPolarHBondContact O-CA 3.46Å; N760-Y763 PolarHBondContact O-N 2.8Å; N760-E764 WeakPolarHBondContact O-CG 3.46Å; N760-E764 PolarHBondContact O-N 3.46Å
761	L	93.5	Very high	91.2	Very high	83 Å²	83	72.6 Å²	72.6	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-58.2	-38.6	176.9	-171.6	67.1	0	0	0	112	S757 K758 Y763 E764 D765	S757-L761 PolarHBondContact O-N 3.13Å; S757-L761 VanDerWaalsContact O-N 3.1Å; K758-L761 PolarHBondContact O-N 3.07Å; L761-Y763 VanDerWaalsContact C-N 3.25Å; L761-Y763 PolarHBondContact O-N 3.23Å; L761-E764 PolarHBondContact O-N 2.85Å; L761-D765 WeakPolarHBondContact O-CB 3.49Å; L761-D765 PolarHBondContact O-N 3.18Å
762	F	94	Very high	90.7	Very high	21 Å²	21	72.3 Å²	72.3	9%	0.092	39%	0.392	C	S	.	.	H	α-helix	trans	-56.3	-38.4	174.4	178.9	-87.9	0	0	0	112.6	L751 K758 K759 N760 R766 H767 Q768 L769 Y787	L751-F762 HydrophobicContact CD1-CD1 3.76Å; L751-F762 HydrophobicContact CD1-CD2 4.2Å; L751-F762 HydrophobicContact CD1-CE1 3.89Å; L751-F762 HydrophobicContact CD1-CE2 4.29Å; L751-F762 HydrophobicContact CD1-CG 3.95Å; L751-F762 HydrophobicContact CD1-CZ 4.15Å; L751-F762 HydrophobicContact CD2-CD2 4.16Å; L751-F762 HydrophobicContact CD2-CE2 3.98Å; L751-F762 HydrophobicContact CD2-CZ 4.38Å; K758-F762 WeakPolarHBondContact O-CB 3.23Å; K758-F762 PolarHBondContact O-N 2.85Å; K759-F762 WeakPolarHBondContact O-CB 3.42Å; K759-F762 PolarHBondContact O-N 2.84Å; N760-F762 PolarHBondContact O-N 3.3Å; F762-R766 PolarHBondContact O-N 3.28Å; F762-H767 HydrophobicContact CD2-CB 3.5Å; F762-H767 HydrophobicContact CE1-CB 4.38Å; F762-H767 VanDerWaalsContact CE1-O 3.31Å; F762-H767 WeakPolarHBondContact CE1-O 3.47Å; F762-H767 HydrophobicContact CE2-CB 3.36Å; F762-H767 HydrophobicContact CG-CB 4.09Å; F762-H767 HydrophobicContact CZ-CB 3.83Å; F762-H767 VanDerWaalsContact CZ-O 3.26Å; F762-H767 WeakPolarHBondContact CZ-O 3.36Å; F762-H767 PolarHBondContact O-N 2.92Å; F762-Q768 WeakPolarHBondContact CZ-O 3.3Å; F762-L769 HydrophobicContact CZ-CD2 4.15Å; F762-Y787 PolarHBondContact O-OH 3.14Å
763	Y	94.9	Very high	90.1	Very high	18 Å²	18	79.1 Å²	79.1	7%	0.071	41%	0.412	C	S	.	.	H	α-helix	trans	-78.4	-40	174.7	-77	-3	0	0	0	113.5	I713 P714 V716 P718 I721 W734 K759 N760 L761 D765 R766 Y787	I713-Y763 HydrophobicContact CB-CE2 4.45Å; I713-Y763 HydrophobicContact CD1-CD2 3.84Å; I713-Y763 HydrophobicContact CD1-CE2 3.74Å; I713-Y763 HydrophobicContact CG1-CD2 4.29Å; I713-Y763 HydrophobicContact CG1-CE2 3.66Å; I713-Y763 HydrophobicContact CG2-CE1 3.98Å; I713-Y763 HydrophobicContact CG2-CE2 4.09Å; P714-Y763 VanDerWaalsContact CA-OH 3.25Å; P714-Y763 WeakPolarHBondContact CA-OH 3.22Å; P714-Y763 PolarHBondContact O-OH 2.92Å; P714-Y763 VanDerWaalsContact O-OH 3.08Å; V716-Y763 WeakPolarHBondContact O-CE2 3.41Å; V716-Y763 PolarHBondContact O-OH 2.87Å; P718-Y763 HydrophobicContact CB-CD2 3.91Å; P718-Y763 HydrophobicContact CB-CE2 4.25Å; P718-Y763 HydrophobicContact CB-CG 4.24Å; I721-Y763 HydrophobicContact CG1-CD2 4.23Å; I721-Y763 HydrophobicContact CG1-CE2 3.97Å; W734-Y763 HydrophobicContact CH2-CE1 4.41Å; W734-Y763 AromaticContact CZ2-CE1 3.77Å; W734-Y763 HydrophobicContact CZ2-CE1 3.77Å; W734-Y763 AromaticContact CZ2-CZ 3.89Å; K759-Y763 PolarHBondContact O-N 3.04Å; N760-Y763 WeakPolarHBondContact O-CA 3.46Å; N760-Y763 PolarHBondContact O-N 2.8Å; L761-Y763 VanDerWaalsContact C-N 3.25Å; L761-Y763 PolarHBondContact O-N 3.23Å; Y763-D765 VanDerWaalsContact C-N 3.29Å; Y763-D765 PolarHBondContact O-N 3.07Å; Y763-R766 PolarHBondContact O-N 3.31Å; Y763-Y787 HydrophobicContact CD1-CE1 4.16Å; Y763-Y787 WeakPolarHBondContact CD1-OH 3.4Å; Y763-Y787 HydrophobicContact CG-CE1 4.45Å
764	E	91.8	Very high	89.4	Confident	144 Å²	144	74 Å²	74	67%	0.673	38%	0.378	S	S	*	.	H	α-helix	trans	-58.9	-42.7	176.9	-71.4	172.6	-175.2	0	0	111.3	N760 L761 R766	N760-E764 WeakPolarHBondContact O-CG 3.46Å; N760-E764 PolarHBondContact O-N 3.46Å; L761-E764 PolarHBondContact O-N 2.85Å; E764-R766 PolarHBondContact O-N 3.21Å
765	D	93.1	Very high	88.5	Confident	88 Å²	88	76.4 Å²	76.4	47%	0.471	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.6	177.2	-67.3	-20.8	0	0	0	113.4	L761 Y763 H767	L761-D765 WeakPolarHBondContact O-CB 3.49Å; L761-D765 PolarHBondContact O-N 3.18Å; Y763-D765 VanDerWaalsContact C-N 3.29Å; Y763-D765 PolarHBondContact O-N 3.07Å; D765-H767 VanDerWaalsContact C-N 3.3Å; D765-H767 WeakPolarHBondContact CB-CE1 3.44Å; D765-H767 VanDerWaalsContact CB-ND1 3.33Å; D765-H767 WeakPolarHBondContact CB-ND1 3.35Å; D765-H767 PolarHBondContact O-N 3.46Å; D765-H767 IonicContact OD2-CE1 2.64Å; D765-H767 PolarHBondContact OD2-CE1 3.2Å; D765-H767 IonicContact OD2-ND1 3.69Å
766	R	93.1	Very high	87.6	Confident	178 Å²	178	77.1 Å²	77.1	67%	0.672	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.6	-178.7	-59.3	-174.4	169.8	-159	-5.7	114.5	F762 Y763 E764 Y787	F762-R766 PolarHBondContact O-N 3.28Å; Y763-R766 PolarHBondContact O-N 3.31Å; E764-R766 PolarHBondContact O-N 3.21Å; R766-Y787 VanDerWaalsContact CA-CZ 3.44Å; R766-Y787 HydrophobicContact CB-CD1 4.32Å; R766-Y787 HydrophobicContact CB-CD2 4.15Å; R766-Y787 HydrophobicContact CB-CE1 4.24Å; R766-Y787 HydrophobicContact CB-CE2 4.05Å; R766-Y787 HydrophobicContact CB-CG 4.29Å; R766-Y787 HydrophobicContact CG-CD1 3.99Å; R766-Y787 HydrophobicContact CG-CE1 4.16Å; R766-Y787 HydrophobicContact CG-CG 4.22Å
767	H	92.9	Very high	87.2	Confident	92 Å²	92	74.7 Å²	74.7	43%	0.426	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-70.1	150.2	177.6	-69.8	121.5	0	0	0	112.1	F762 D765 Y787	F762-H767 HydrophobicContact CD2-CB 3.5Å; F762-H767 HydrophobicContact CE1-CB 4.38Å; F762-H767 VanDerWaalsContact CE1-O 3.31Å; F762-H767 WeakPolarHBondContact CE1-O 3.47Å; F762-H767 HydrophobicContact CE2-CB 3.36Å; F762-H767 HydrophobicContact CG-CB 4.09Å; F762-H767 HydrophobicContact CZ-CB 3.83Å; F762-H767 VanDerWaalsContact CZ-O 3.26Å; F762-H767 WeakPolarHBondContact CZ-O 3.36Å; F762-H767 PolarHBondContact O-N 2.92Å; D765-H767 VanDerWaalsContact C-N 3.3Å; D765-H767 WeakPolarHBondContact CB-CE1 3.44Å; D765-H767 VanDerWaalsContact CB-ND1 3.33Å; D765-H767 WeakPolarHBondContact CB-ND1 3.35Å; D765-H767 PolarHBondContact O-N 3.46Å; D765-H767 IonicContact OD2-CE1 2.64Å; D765-H767 PolarHBondContact OD2-CE1 3.2Å; D765-H767 IonicContact OD2-ND1 3.69Å; H767-Y787 PolarHBondContact N-OH 3.08Å; H767-Y787 WeakPolarHBondContact O-CE2 3.33Å; H767-Y787 PolarHBondContact O-OH 2.75Å
768	Q	92.3	Very high	87	Confident	71 Å²	71	70.5 Å²	70.5	33%	0.332	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-97.3	158.1	172	-72	-65.8	-23.1	0	0	110.9	F762 M785	F762-Q768 WeakPolarHBondContact CZ-O 3.3Å; Q768-M785 PolarHBondContact NE2-O 3.35Å
769	L	90.8	Very high	86.7	Confident	8 Å²	8	70.3 Å²	70.3	4%	0.042	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.2	151.2	175.1	-70.7	-179.1	0	0	0	110.7	P714 T738 W741 P750 L751 F762 A771 M785	P714-L769 HydrophobicContact CB-CD2 4.45Å; P714-L769 HydrophobicContact CG-CD2 4.04Å; T738-L769 HydrophobicContact CG2-CD1 4.43Å; W741-L769 HydrophobicContact CB-CD1 4.02Å; W741-L769 HydrophobicContact CD2-CD1 4.14Å; W741-L769 HydrophobicContact CG-CD1 3.8Å; P750-L769 HydrophobicContact CB-CD1 4.29Å; P750-L769 HydrophobicContact CB-CD2 4.03Å; L751-L769 HydrophobicContact CD1-CD2 4.24Å; L751-L769 HydrophobicContact CD2-CD2 4.12Å; L751-L769 HydrophobicContact CG-CD2 3.98Å; F762-L769 HydrophobicContact CZ-CD2 4.15Å; L769-A771 PolarHBondContact O-N 3.37Å; L769-M785 HydrophobicContact CD1-CE 3.69Å; L769-M785 HydrophobicContact CD1-SD 3.56Å; L769-M785 VanDerWaalsContact CD1-SD 3.56Å; L769-M785 HydrophobicContact CG-CE 3.77Å; L769-M785 HydrophobicContact CG-SD 4.03Å
770	P	87.6	Confident	86.6	Confident	83 Å²	83	70.3 Å²	70.3	54%	0.539	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-55.7	131.3	174.2	-23.4	33.4	0	0	0	110.7	W741	W741-P770 PolarHBondContact NE1-O 2.86Å
771	A	82.4	Confident	86.7	Confident	74 Å²	74	68.5 Å²	68.5	61%	0.612	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-58.5	130.5	-177.7	0	0	0	0	0	110.8	L769 A778	L769-A771 PolarHBondContact O-N 3.37Å; A771-A778 HydrophobicContact CB-CB 4.18Å
772	P	79.1	Confident	86.7	Confident	17 Å²	17	67 Å²	67	11%	0.11	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62.6	162.7	169.9	28.8	-35.9	0	0	0	110.2	C744 W774 A778 I781	C744-P772 HydrophobicContact CB-CB 4.2Å; P772-W774 PolarHBondContact O-N 3.05Å; P772-A778 HydrophobicContact CG-CB 3.93Å; P772-I781 HydrophobicContact CG-CD1 3.84Å
773	K	72.9	Confident	86.6	Confident	221 Å²	221	68.7 Å²	68.7	96%	0.961	35%	0.353	S	S	*	.	S	Bend	trans	-54.5	-25	177.6	-68.1	-173.1	177.4	-174.1	0	113.5
774	W	75	Confident	86.7	Confident	19 Å²	19	67.9 Å²	67.9	7%	0.072	35%	0.349	C	S	.	.			trans	-95.8	105.7	178.3	-172.4	11.4	0	0	0	111.1	I644 L648 P772 E776 L777 A778 L805 Y810	I644-W774 HydrophobicContact CD1-CE3 3.67Å; I644-W774 HydrophobicContact CD1-CZ3 3.81Å; I644-W774 HydrophobicContact CG1-CE3 3.99Å; I644-W774 HydrophobicContact CG1-CZ3 3.85Å; L648-W774 HydrophobicContact CD1-CH2 3.36Å; L648-W774 HydrophobicContact CD1-CZ3 3.69Å; L648-W774 HydrophobicContact CD2-CH2 3.47Å; L648-W774 VanDerWaalsContact CD2-CH2 3.47Å; L648-W774 HydrophobicContact CD2-CZ3 3.39Å; L648-W774 HydrophobicContact CG-CH2 3.7Å; L648-W774 HydrophobicContact CG-CZ3 3.55Å; P772-W774 PolarHBondContact O-N 3.05Å; W774-E776 PolarHBondContact NE1-OE2 3.31Å; W774-L777 HydrophobicContact CB-CB 4.27Å; W774-L777 HydrophobicContact CD2-CB 3.72Å; W774-L777 HydrophobicContact CD2-CD2 4.38Å; W774-L777 HydrophobicContact CE3-CB 3.65Å; W774-L777 HydrophobicContact CE3-CD2 3.48Å; W774-L777 VanDerWaalsContact CE3-CD2 3.48Å; W774-L777 HydrophobicContact CE3-CG 4.13Å; W774-L777 HydrophobicContact CG-CB 3.98Å; W774-L777 HydrophobicContact CZ3-CB 4.31Å; W774-L777 HydrophobicContact CZ3-CD2 3.84Å; W774-L777 HydrophobicContact CZ3-CG 4.48Å; W774-L777 PolarHBondContact O-N 3.48Å; W774-A778 PolarHBondContact O-N 3.11Å; W774-L805 HydrophobicContact CH2-CB 3.92Å; W774-L805 HydrophobicContact CH2-CD1 3.88Å; W774-L805 HydrophobicContact CH2-CG 4.39Å; W774-L805 HydrophobicContact CZ2-CB 3.81Å; W774-L805 HydrophobicContact CZ2-CD1 3.9Å; W774-L805 HydrophobicContact CZ2-CD2 4.07Å; W774-L805 HydrophobicContact CZ2-CG 4.13Å; W774-Y810 AromaticContact CE2-CZ 3.88Å; W774-Y810 HydrophobicContact CZ2-CE2 4.16Å; W774-Y810 AromaticContact NE1-CE2 3.86Å; W774-Y810 AromaticContact NE1-CZ 3.63Å; W774-Y810 PolarHBondContact NE1-OH 3.17Å
775	T	73.4	Confident	86.9	Confident	102 Å²	102	61 Å²	61	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-39.2	-173.3	48.3	0	0	0	0	113.9	L777 A778 N779	T775-L777 VanDerWaalsContact C-N 3.34Å; T775-L777 PolarHBondContact O-N 2.93Å; T775-A778 VanDerWaalsContact O-CB 3.24Å; T775-A778 WeakPolarHBondContact O-CB 3.49Å; T775-A778 PolarHBondContact O-N 3.47Å; T775-A778 VanDerWaalsContact O-N 3.16Å; T775-N779 PolarHBondContact O-N 3.03Å
776	E	72.7	Confident	86.9	Confident	94 Å²	94	58.8 Å²	58.8	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-40.6	-179.8	-58.9	165.5	143.7	0	0	111.1	W774 A778 N779 L780 L805	W774-E776 PolarHBondContact NE1-OE2 3.31Å; E776-A778 VanDerWaalsContact C-N 3.31Å; E776-A778 PolarHBondContact O-N 3.13Å; E776-N779 PolarHBondContact O-N 3.48Å; E776-L780 PolarHBondContact O-N 2.99Å; E776-L805 HydrophobicContact CB-CD2 3.54Å; E776-L805 HydrophobicContact CG-CD2 4.36Å
777	L	83.3	Confident	86.9	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-70.4	-29.1	174.5	-162.7	65.6	0	0	0	112.4	L740 C744 W774 T775 N779 L780 I781 L802 L805	L740-L777 HydrophobicContact CD1-CD1 4.3Å; L740-L777 HydrophobicContact CD1-CD2 4.16Å; L740-L777 HydrophobicContact CD2-CD1 3.75Å; L740-L777 HydrophobicContact CD2-CG 4.15Å; L740-L777 HydrophobicContact CG-CD1 4.24Å; L740-L777 HydrophobicContact CG-CD2 4.26Å; L740-L777 HydrophobicContact CG-CG 4.27Å; C744-L777 WeakPolarHBondContact SG-CD2 3.41Å; W774-L777 HydrophobicContact CB-CB 4.27Å; W774-L777 HydrophobicContact CD2-CB 3.72Å; W774-L777 HydrophobicContact CD2-CD2 4.38Å; W774-L777 HydrophobicContact CE3-CB 3.65Å; W774-L777 HydrophobicContact CE3-CD2 3.48Å; W774-L777 VanDerWaalsContact CE3-CD2 3.48Å; W774-L777 HydrophobicContact CE3-CG 4.13Å; W774-L777 HydrophobicContact CG-CB 3.98Å; W774-L777 HydrophobicContact CZ3-CB 4.31Å; W774-L777 HydrophobicContact CZ3-CD2 3.84Å; W774-L777 HydrophobicContact CZ3-CG 4.48Å; W774-L777 PolarHBondContact O-N 3.48Å; T775-L777 VanDerWaalsContact C-N 3.34Å; T775-L777 PolarHBondContact O-N 2.93Å; L777-N779 VanDerWaalsContact C-N 3.29Å; L777-N779 PolarHBondContact O-N 3.33Å; L777-L780 HydrophobicContact CD1-CD2 4.11Å; L777-L780 PolarHBondContact O-N 2.96Å; L777-I781 HydrophobicContact CG-CD1 4.26Å; L777-I781 VanDerWaalsContact O-CG1 3.31Å; L777-I781 WeakPolarHBondContact O-CG1 3.24Å; L777-I781 PolarHBondContact O-N 2.78Å; L777-L802 HydrophobicContact CD1-CD2 3.94Å; L777-L805 HydrophobicContact CD1-CD1 3.84Å
778	A	86.2	Confident	86.8	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-40.1	173.1	0	0	0	0	0	111.7	A771 P772 W774 T775 E776 I781 N782	A771-A778 HydrophobicContact CB-CB 4.18Å; P772-A778 HydrophobicContact CG-CB 3.93Å; W774-A778 PolarHBondContact O-N 3.11Å; T775-A778 VanDerWaalsContact O-CB 3.24Å; T775-A778 WeakPolarHBondContact O-CB 3.49Å; T775-A778 PolarHBondContact O-N 3.47Å; T775-A778 VanDerWaalsContact O-N 3.16Å; E776-A778 VanDerWaalsContact C-N 3.31Å; E776-A778 PolarHBondContact O-N 3.13Å; A778-I781 PolarHBondContact O-N 3.31Å; A778-N782 WeakPolarHBondContact O-CB 3.47Å; A778-N782 PolarHBondContact O-N 3.41Å; A778-N782 PolarHBondContact O-ND2 3.5Å
779	N	87.9	Confident	86.8	Confident	107 Å²	107	46.9 Å²	46.9	57%	0.572	26%	0.259	S	S	*	.	H	α-helix	trans	-63.9	-41.4	176.8	-68.7	-25	0	0	0	112	T775 E776 L777 N782 S783	T775-N779 PolarHBondContact O-N 3.03Å; E776-N779 PolarHBondContact O-N 3.48Å; L777-N779 VanDerWaalsContact C-N 3.29Å; L777-N779 PolarHBondContact O-N 3.33Å; N779-N782 PolarHBondContact O-N 2.97Å; N779-S783 WeakPolarHBondContact O-CB 3.4Å; N779-S783 PolarHBondContact O-N 3.4Å; N779-S783 PolarHBondContact O-OG 3.4Å
780	L	91.1	Very high	86.6	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-45	175.8	-178.8	61	0	0	0	111.4	L740 E776 L777 S783 C784 I798 D801 L802	L740-L780 HydrophobicContact CD2-CD2 4.11Å; L740-L780 HydrophobicContact CD2-CG 4.43Å; E776-L780 PolarHBondContact O-N 2.99Å; L777-L780 HydrophobicContact CD1-CD2 4.11Å; L777-L780 PolarHBondContact O-N 2.96Å; L780-S783 PolarHBondContact O-N 3.5Å; L780-C784 WeakPolarHBondContact O-CB 3.4Å; L780-C784 PolarHBondContact O-N 2.89Å; L780-C784 PolarHBondContact O-SG 2.64Å; L780-I798 HydrophobicContact CD1-CG1 4.19Å; L780-I798 HydrophobicContact CD1-CG2 4.48Å; L780-I798 HydrophobicContact CD2-CG2 4.4Å; L780-D801 HydrophobicContact CD1-CB 4.29Å; L780-L802 HydrophobicContact CD2-CD2 3.62Å; L780-L802 HydrophobicContact CD2-CG 3.75Å
781	I	93.6	Very high	86.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-49.8	176	-70.6	162.8	0	0	0	110.4	L740 W741 P772 L777 A778 S783 C784 M785	L740-I781 HydrophobicContact CB-CG1 4.08Å; L740-I781 HydrophobicContact CD2-CD1 4.44Å; L740-I781 HydrophobicContact CD2-CG1 3.74Å; L740-I781 HydrophobicContact CG-CD1 4.13Å; L740-I781 HydrophobicContact CG-CG1 3.87Å; W741-I781 HydrophobicContact CB-CD1 4.19Å; W741-I781 HydrophobicContact CB-CG2 4.34Å; P772-I781 HydrophobicContact CG-CD1 3.84Å; L777-I781 HydrophobicContact CG-CD1 4.26Å; L777-I781 VanDerWaalsContact O-CG1 3.31Å; L777-I781 WeakPolarHBondContact O-CG1 3.24Å; L777-I781 PolarHBondContact O-N 2.78Å; A778-I781 PolarHBondContact O-N 3.31Å; I781-S783 VanDerWaalsContact C-N 3.32Å; I781-S783 PolarHBondContact O-N 3.09Å; I781-C784 WeakPolarHBondContact O-CB 3.45Å; I781-C784 PolarHBondContact O-N 3.36Å; I781-M785 HydrophobicContact CG2-SD 3.97Å; I781-M785 WeakPolarHBondContact O-CB 3.49Å; I781-M785 WeakPolarHBondContact O-CG 3.42Å; I781-M785 PolarHBondContact O-N 2.93Å
782	N	93.1	Very high	87.2	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-38.6	179.9	-70	-18.8	0	0	0	112.1	A778 N779 C784 M785 D786	A778-N782 WeakPolarHBondContact O-CB 3.47Å; A778-N782 PolarHBondContact O-N 3.41Å; A778-N782 PolarHBondContact O-ND2 3.5Å; N779-N782 PolarHBondContact O-N 2.97Å; N782-C784 VanDerWaalsContact C-N 3.35Å; N782-M785 CarbonylContact O-C 3.5Å; N782-M785 VanDerWaalsContact O-C 3.22Å; N782-M785 PolarHBondContact O-N 3.47Å; N782-D786 PolarHBondContact O-N 3.09Å
783	S	92.5	Very high	87.9	Confident	58 Å²	58	45.5 Å²	45.5	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-37.6	176.3	-56.2	0	0	0	0	111.8	N779 L780 I781 M785 P793	N779-S783 WeakPolarHBondContact O-CB 3.4Å; N779-S783 PolarHBondContact O-N 3.4Å; N779-S783 PolarHBondContact O-OG 3.4Å; L780-S783 PolarHBondContact O-N 3.5Å; I781-S783 VanDerWaalsContact C-N 3.32Å; I781-S783 PolarHBondContact O-N 3.09Å; S783-M785 VanDerWaalsContact C-N 3.3Å; S783-P793 WeakPolarHBondContact O-CD 3.21Å
784	C	95.8	Very high	88.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-33.1	172.7	-67.8	0	0	0	0	112.1	K733 W734 L780 I781 N782 R792	K733-C784 WeakPolarHBondContact O-CB 3.24Å; W734-C784 WeakPolarHBondContact CA-O 3.37Å; W734-C784 PolarHBondContact N-O 3.47Å; L780-C784 WeakPolarHBondContact O-CB 3.4Å; L780-C784 PolarHBondContact O-N 2.89Å; L780-C784 PolarHBondContact O-SG 2.64Å; I781-C784 WeakPolarHBondContact O-CB 3.45Å; I781-C784 PolarHBondContact O-N 3.36Å; N782-C784 VanDerWaalsContact C-N 3.35Å; C784-R792 VanDerWaalsContact O-CD 3.3Å; C784-R792 WeakPolarHBondContact O-CD 3.38Å; C784-R792 WeakPolarHBondContact O-CG 3.41Å
785	M	95.6	Very high	89.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	34.2	180	-62.1	-174.8	67.7	0	0	113	W734 T738 Q768 L769 I781 N782 S783	W734-M785 HydrophobicContact CD2-CB 4.35Å; W734-M785 HydrophobicContact CD2-CG 4.35Å; W734-M785 HydrophobicContact CE3-CB 4.08Å; W734-M785 HydrophobicContact CH2-CB 4.35Å; W734-M785 HydrophobicContact CH2-CE 4.3Å; W734-M785 HydrophobicContact CZ2-CE 3.65Å; W734-M785 VanDerWaalsContact CZ3-C 3.43Å; W734-M785 HydrophobicContact CZ3-CB 4.09Å; W734-M785 WeakPolarHBondContact CZ3-O 3.48Å; T738-M785 WeakPolarHBondContact OG1-CE 3.15Å; Q768-M785 PolarHBondContact NE2-O 3.35Å; L769-M785 HydrophobicContact CD1-CE 3.69Å; L769-M785 HydrophobicContact CD1-SD 3.56Å; L769-M785 VanDerWaalsContact CD1-SD 3.56Å; L769-M785 HydrophobicContact CG-CE 3.77Å; L769-M785 HydrophobicContact CG-SD 4.03Å; I781-M785 HydrophobicContact CG2-SD 3.97Å; I781-M785 WeakPolarHBondContact O-CB 3.49Å; I781-M785 WeakPolarHBondContact O-CG 3.42Å; I781-M785 PolarHBondContact O-N 2.93Å; N782-M785 CarbonylContact O-C 3.5Å; N782-M785 VanDerWaalsContact O-C 3.22Å; N782-M785 PolarHBondContact O-N 3.47Å; S783-M785 VanDerWaalsContact C-N 3.3Å
786	D	94.1	Very high	90.6	Very high	41 Å²	41	30.7 Å²	30.7	22%	0.219	16%	0.164	C	C	.	.			trans	-68.3	132.6	169.8	-160.6	-52.6	0	0	0	109.8	W734 N782 E788 H791 R792	W734-D786 WeakPolarHBondContact CZ3-O 3.29Å; N782-D786 PolarHBondContact O-N 3.09Å; D786-E788 PolarHBondContact O-N 3.45Å; D786-E788 PolarHBondContact OD1-N 3Å; D786-H791 HydrophobicContact CB-CB 4.17Å; D786-H791 IonicContact OD1-ND1 2.79Å; D786-H791 IonicContact OD2-ND1 3.59Å; D786-R792 HydrophobicContact CB-CG 4.13Å; D786-R792 PolarHBondContact O-NE 2.79Å; D786-R792 PolarHBondContact O-NH2 2.9Å
787	Y	92.7	Very high	91.5	Very high	29 Å²	29	27.3 Å²	27.3	11%	0.114	15%	0.149	C	C	.	.	S	Bend	trans	-67.5	-21.9	178.9	-82	-97.2	0	0	0	112.2	P718 W734 F762 Y763 R766 H767 P789	P718-Y787 HydrophobicContact CB-CD1 4.1Å; P718-Y787 HydrophobicContact CB-CE1 4.17Å; P718-Y787 HydrophobicContact CG-CD1 3.62Å; P718-Y787 HydrophobicContact CG-CE1 3.94Å; P718-Y787 HydrophobicContact CG-CG 4.46Å; W734-Y787 HydrophobicContact CH2-CD1 4.41Å; W734-Y787 HydrophobicContact CH2-CD2 4.27Å; W734-Y787 HydrophobicContact CH2-CE1 4.15Å; W734-Y787 HydrophobicContact CH2-CE2 4.02Å; W734-Y787 HydrophobicContact CH2-CG 4.45Å; W734-Y787 AromaticContact CH2-CZ 3.94Å; W734-Y787 HydrophobicContact CZ3-CD2 4.36Å; W734-Y787 HydrophobicContact CZ3-CG 4.41Å; F762-Y787 PolarHBondContact O-OH 3.14Å; Y763-Y787 HydrophobicContact CD1-CE1 4.16Å; Y763-Y787 WeakPolarHBondContact CD1-OH 3.4Å; Y763-Y787 HydrophobicContact CG-CE1 4.45Å; R766-Y787 VanDerWaalsContact CA-CZ 3.44Å; R766-Y787 HydrophobicContact CB-CD1 4.32Å; R766-Y787 HydrophobicContact CB-CD2 4.15Å; R766-Y787 HydrophobicContact CB-CE1 4.24Å; R766-Y787 HydrophobicContact CB-CE2 4.05Å; R766-Y787 HydrophobicContact CB-CG 4.29Å; R766-Y787 HydrophobicContact CG-CD1 3.99Å; R766-Y787 HydrophobicContact CG-CE1 4.16Å; R766-Y787 HydrophobicContact CG-CG 4.22Å; H767-Y787 PolarHBondContact N-OH 3.08Å; H767-Y787 WeakPolarHBondContact O-CE2 3.33Å; H767-Y787 PolarHBondContact O-OH 2.75Å; Y787-P789 WeakPolarHBondContact O-CD 3.41Å
788	E	90.4	Very high	92	Very high	37 Å²	37	27.2 Å²	27.2	17%	0.173	15%	0.149	C	C	.	.	S	Bend	trans	-90.1	111.1	169.3	-178.7	53.5	-122.9	0	0	109.7	R496 D786 L790 H791	R496-E788 WeakPolarHBondContact CD-OE1 3.39Å; R496-E788 IonicContact CZ-OE1 3.82Å; R496-E788 IonicContact CZ-OE2 3.91Å; R496-E788 IonicContact NE-OE1 2.72Å; R496-E788 PolarHBondContact NE-OE1 2.85Å; R496-E788 VanDerWaalsContact NE-OE1 3.15Å; R496-E788 IonicContact NE-OE2 2.63Å; R496-E788 PolarHBondContact NE-OE2 2.75Å; R496-E788 IonicContact NH2-OE2 3.13Å; D786-E788 PolarHBondContact O-N 3.45Å; D786-E788 PolarHBondContact OD1-N 3Å; E788-L790 PolarHBondContact O-N 3.34Å; E788-L790 VanDerWaalsContact O-N 3.14Å; E788-H791 HydrophobicContact CB-CB 4.4Å; E788-H791 WeakPolarHBondContact O-CB 3.44Å; E788-H791 PolarHBondContact O-N 3.47Å
789	P	91.9	Very high	92.3	Very high	25 Å²	25	27 Å²	27	16%	0.162	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-59.6	-31.5	-172.1	-25.8	35.4	0	0	0	114.4	E719 A730 Y787 H791 R792	E719-P789 HydrophobicContact CB-CG 4.33Å; E719-P789 HydrophobicContact CG-CG 3.89Å; A730-P789 HydrophobicContact CB-CB 3.62Å; A730-P789 WeakPolarHBondContact CB-O 3.24Å; Y787-P789 WeakPolarHBondContact O-CD 3.41Å; P789-H791 VanDerWaalsContact C-N 3.26Å; P789-H791 PolarHBondContact O-N 2.89Å; P789-R792 PolarHBondContact O-N 2.81Å
790	L	87.5	Confident	92.4	Very high	84 Å²	84	22.8 Å²	22.8	44%	0.44	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-70.5	-20.9	179.9	-64.6	179.3	0	0	0	113.3	P499 E788 R792	P499-L790 HydrophobicContact CG-CB 3.97Å; P499-L790 VanDerWaalsContact CG-O 3.28Å; P499-L790 WeakPolarHBondContact CG-O 3.44Å; E788-L790 PolarHBondContact O-N 3.34Å; E788-L790 VanDerWaalsContact O-N 3.14Å; L790-R792 VanDerWaalsContact C-N 3.35Å
791	H	89.6	Confident	92.3	Very high	39 Å²	39	24.4 Å²	24.4	18%	0.181	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-83.4	-12	-179.7	-67.6	178	0	0	0	113.4	Y398 D786 E788 P789	Y398-H791 HydrophobicContact CE1-CB 3.82Å; Y398-H791 AromaticContact CE1-CD2 3.82Å; Y398-H791 AromaticContact CE1-CG 3.73Å; Y398-H791 AromaticContact CE2-CE1 3.84Å; Y398-H791 AromaticContact CE2-ND1 3.81Å; Y398-H791 AromaticContact CZ-CD2 3.91Å; Y398-H791 AromaticContact CZ-CG 3.53Å; Y398-H791 AromaticContact CZ-ND1 3.67Å; D786-H791 HydrophobicContact CB-CB 4.17Å; D786-H791 IonicContact OD1-ND1 2.79Å; D786-H791 IonicContact OD2-ND1 3.59Å; E788-H791 HydrophobicContact CB-CB 4.4Å; E788-H791 WeakPolarHBondContact O-CB 3.44Å; E788-H791 PolarHBondContact O-N 3.47Å; P789-H791 VanDerWaalsContact C-N 3.26Å; P789-H791 PolarHBondContact O-N 2.89Å
792	R	93.3	Very high	92	Very high	9 Å²	9	24.4 Å²	24.4	3%	0.034	13%	0.132	C	C	.	.	S	Bend	trans	-69.6	134.4	-177.9	-59.2	176.2	-169.6	150.6	8.2	110.7	E719 A730 K733 C784 D786 P789 L790	E719-R792 IonicContact OE1-CZ 2.59Å; E719-R792 IonicContact OE1-NH1 2.73Å; E719-R792 PolarHBondContact OE1-NH1 3.28Å; E719-R792 IonicContact OE1-NH2 2.78Å; E719-R792 PolarHBondContact OE1-NH2 3.48Å; E719-R792 IonicContact OE2-CZ 2.9Å; E719-R792 IonicContact OE2-NH1 2.63Å; E719-R792 IonicContact OE2-NH2 2.74Å; E719-R792 PolarHBondContact OE2-NH2 2.89Å; A730-R792 VanDerWaalsContact C-NH1 3.31Å; A730-R792 WeakPolarHBondContact O-CD 3.49Å; A730-R792 PolarHBondContact O-NH1 2.99Å; K733-R792 HydrophobicContact CB-CB 3.95Å; K733-R792 HydrophobicContact CD-CB 3.81Å; K733-R792 HydrophobicContact CG-CB 4.49Å; C784-R792 VanDerWaalsContact O-CD 3.3Å; C784-R792 WeakPolarHBondContact O-CD 3.38Å; C784-R792 WeakPolarHBondContact O-CG 3.41Å; D786-R792 HydrophobicContact CB-CG 4.13Å; D786-R792 PolarHBondContact O-NE 2.79Å; D786-R792 PolarHBondContact O-NH2 2.9Å; P789-R792 PolarHBondContact O-N 2.81Å; L790-R792 VanDerWaalsContact C-N 3.35Å
793	P	92.6	Very high	91.6	Very high	21 Å²	21	23 Å²	23	14%	0.136	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-66.3	149	-174.3	27.2	-34.9	0	0	0	112.6	K733 S783 T797 I798	K733-P793 WeakPolarHBondContact CD-O 3.3Å; K733-P793 WeakPolarHBondContact CE-O 3.42Å; S783-P793 WeakPolarHBondContact O-CD 3.21Å; P793-T797 HydrophobicContact CB-CG2 3.97Å; P793-I798 HydrophobicContact CB-CG1 4.24Å; P793-I798 HydrophobicContact CG-CD1 4.22Å; P793-I798 HydrophobicContact CG-CG1 3.88Å
794	S	93.3	Very high	91	Very high	18 Å²	18	23.3 Å²	23.3	13%	0.126	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-63.5	156.7	169.8	65.5	0	0	0	0	111.4	Q502 R796 T797 I798	Q502-S794 PolarHBondContact OE1-OG 3.1Å; S794-R796 PolarHBondContact O-N 3.32Å; S794-T797 WeakPolarHBondContact O-CA 3.31Å; S794-T797 WeakPolarHBondContact O-CB 3.48Å; S794-T797 PolarHBondContact O-N 3.11Å; S794-T797 PolarHBondContact OG-N 2.98Å; S794-T797 PolarHBondContact OG-OG1 3.36Å; S794-I798 WeakPolarHBondContact O-CG1 3.05Å; S794-I798 PolarHBondContact O-N 3.26Å
795	F	93.9	Very high	90.1	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-25.5	176.9	-78.1	-72.3	0	0	0	112.6	M658 H659 E662 D732 K733 F736 I798 I799	M658-F795 HydrophobicContact CB-CD1 3.49Å; M658-F795 VanDerWaalsContact CB-CD1 3.49Å; M658-F795 HydrophobicContact CB-CD2 3.85Å; M658-F795 HydrophobicContact CB-CE1 3.27Å; M658-F795 HydrophobicContact CB-CE2 3.63Å; M658-F795 HydrophobicContact CB-CG 3.79Å; M658-F795 HydrophobicContact CB-CZ 3.35Å; M658-F795 HydrophobicContact CE-CE2 4.25Å; M658-F795 HydrophobicContact CE-CZ 4.01Å; M658-F795 HydrophobicContact CG-CD1 4.43Å; M658-F795 HydrophobicContact CG-CE1 3.79Å; M658-F795 HydrophobicContact CG-CE2 4.49Å; M658-F795 HydrophobicContact CG-CZ 3.84Å; H659-F795 HydrophobicContact CB-CB 3.79Å; E662-F795 HydrophobicContact CB-CD2 3.96Å; E662-F795 WeakPolarHBondContact OE2-CB 3.31Å; E662-F795 PolarHBondContact OE2-N 3.12Å; D732-F795 HydrophobicContact CB-CE2 4.38Å; D732-F795 HydrophobicContact CB-CZ 4.46Å; K733-F795 HydrophobicContact CG-CE2 3.91Å; K733-F795 HydrophobicContact CG-CZ 4.07Å; F736-F795 HydrophobicContact CB-CE1 3.89Å; F736-F795 HydrophobicContact CB-CZ 4.08Å; F736-F795 HydrophobicContact CD1-CE1 4.25Å; F736-F795 AromaticContact CD2-CE1 3.9Å; F736-F795 HydrophobicContact CD2-CE1 3.9Å; F736-F795 AromaticContact CG-CE1 3.74Å; F736-F795 HydrophobicContact CG-CE1 3.74Å; F736-F795 HydrophobicContact CG-CZ 4.44Å; F795-I798 HydrophobicContact CD1-CB 4.42Å; F795-I798 HydrophobicContact CD1-CD1 3.62Å; F795-I798 HydrophobicContact CE1-CD1 3.77Å; F795-I798 HydrophobicContact CG-CD1 4.28Å; F795-I798 PolarHBondContact O-N 3.1Å; F795-I799 WeakPolarHBondContact O-CB 3.3Å; F795-I799 VanDerWaalsContact O-CG1 3.23Å; F795-I799 WeakPolarHBondContact O-CG1 3.32Å; F795-I799 PolarHBondContact O-N 3.21Å
796	R	90.9	Very high	88.6	Confident	9 Å²	9	26.4 Å²	26.4	3%	0.034	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-46.8	168.4	-175	177.3	-149.2	147	19.5	111.8	P320 V322 I323 Y372 S794 I799 R800	P320-R796 PolarHBondContact O-NH2 3.06Å; V322-R796 PolarHBondContact O-NH2 3.05Å; I323-R796 HydrophobicContact CD1-CB 4.48Å; I323-R796 HydrophobicContact CD1-CG 3.78Å; I323-R796 HydrophobicContact CG2-CG 4.37Å; Y372-R796 PolarHBondContact OH-NE 2.97Å; Y372-R796 VanDerWaalsContact OH-NE 3.12Å; Y372-R796 PolarHBondContact OH-NH1 3.11Å; S794-R796 PolarHBondContact O-N 3.32Å; R796-I799 PolarHBondContact O-N 3.32Å; R796-R800 PolarHBondContact O-N 2.66Å
797	T	91.8	Very high	86.6	Confident	23 Å²	23	27.3 Å²	27.3	14%	0.141	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-43.7	176.3	-54.6	0	0	0	0	110.9	H380 P793 S794 I799 R800 D801	H380-T797 PolarHBondContact CE1-OG1 3.44Å; P793-T797 HydrophobicContact CB-CG2 3.97Å; S794-T797 WeakPolarHBondContact O-CA 3.31Å; S794-T797 WeakPolarHBondContact O-CB 3.48Å; S794-T797 PolarHBondContact O-N 3.11Å; S794-T797 PolarHBondContact OG-N 2.98Å; S794-T797 PolarHBondContact OG-OG1 3.36Å; T797-I799 PolarHBondContact O-N 2.88Å; T797-R800 PolarHBondContact O-N 3.07Å; T797-D801 WeakPolarHBondContact O-CB 3.26Å; T797-D801 PolarHBondContact O-N 2.87Å
798	I	93.8	Very high	84.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-45.6	176.6	-65.7	169.5	0	0	0	111.2	A655 F736 L780 P793 S794 F795 D801 L802	A655-I798 HydrophobicContact CB-CG2 4.21Å; F736-I798 HydrophobicContact CD1-CD1 4.24Å; F736-I798 HydrophobicContact CD1-CG2 4.24Å; F736-I798 HydrophobicContact CE1-CD1 4.48Å; F736-I798 HydrophobicContact CE1-CG2 3.46Å; F736-I798 VanDerWaalsContact CE1-CG2 3.46Å; F736-I798 HydrophobicContact CZ-CG2 3.78Å; L780-I798 HydrophobicContact CD1-CG1 4.19Å; L780-I798 HydrophobicContact CD1-CG2 4.48Å; L780-I798 HydrophobicContact CD2-CG2 4.4Å; P793-I798 HydrophobicContact CB-CG1 4.24Å; P793-I798 HydrophobicContact CG-CD1 4.22Å; P793-I798 HydrophobicContact CG-CG1 3.88Å; S794-I798 WeakPolarHBondContact O-CG1 3.05Å; S794-I798 PolarHBondContact O-N 3.26Å; F795-I798 HydrophobicContact CD1-CB 4.42Å; F795-I798 HydrophobicContact CD1-CD1 3.62Å; F795-I798 HydrophobicContact CE1-CD1 3.77Å; F795-I798 HydrophobicContact CG-CD1 4.28Å; F795-I798 PolarHBondContact O-N 3.1Å; I798-D801 PolarHBondContact O-N 3.11Å; I798-L802 HydrophobicContact CG2-CD1 3.9Å; I798-L802 HydrophobicContact CG2-CG 4.37Å; I798-L802 WeakPolarHBondContact O-CB 3.06Å; I798-L802 VanDerWaalsContact O-CG 3.26Å; I798-L802 WeakPolarHBondContact O-CG 3.43Å; I798-L802 PolarHBondContact O-N 3.07Å
799	I	92	Very high	81.9	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-47.6	179	-69.9	162.7	0	0	0	110.7	I323 A655 W656 H659 F795 R796 T797 D801 L802 N803	I323-I799 HydrophobicContact CG2-CB 4.16Å; I323-I799 HydrophobicContact CG2-CG2 3.68Å; A655-I799 HydrophobicContact CB-CG1 3.76Å; W656-I799 HydrophobicContact CD2-CD1 3.78Å; W656-I799 HydrophobicContact CE3-CD1 3.81Å; W656-I799 HydrophobicContact CG-CD1 4.26Å; W656-I799 HydrophobicContact CH2-CG2 4.49Å; W656-I799 HydrophobicContact CZ2-CD1 4.48Å; W656-I799 HydrophobicContact CZ2-CG2 3.84Å; W656-I799 HydrophobicContact CZ3-CD1 4.17Å; H659-I799 HydrophobicContact CB-CD1 3.6Å; F795-I799 WeakPolarHBondContact O-CB 3.3Å; F795-I799 VanDerWaalsContact O-CG1 3.23Å; F795-I799 WeakPolarHBondContact O-CG1 3.32Å; F795-I799 PolarHBondContact O-N 3.21Å; R796-I799 PolarHBondContact O-N 3.32Å; T797-I799 PolarHBondContact O-N 2.88Å; I799-D801 VanDerWaalsContact C-N 3.34Å; I799-D801 PolarHBondContact O-N 3.13Å; I799-L802 PolarHBondContact O-N 3.05Å; I799-N803 WeakPolarHBondContact O-CB 3.34Å; I799-N803 PolarHBondContact O-N 3.05Å
800	R	90.5	Very high	79.9	Confident	18 Å²	18	34 Å²	34	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-56.3	-48.8	176	-179.9	-159.3	68.3	-174.6	1.6	111.4	D324 H380 Y381 R796 T797 L802 N803 S804	D324-R800 HydrophobicContact CB-CB 3.95Å; D324-R800 HydrophobicContact CB-CG 3.77Å; H380-R800 PolarHBondContact CE1-NH1 3.46Å; H380-R800 VanDerWaalsContact CE1-NH1 3.3Å; Y381-R800 VanDerWaalsContact CD1-NH1 3.29Å; Y381-R800 VanDerWaalsContact CE2-NH1 3.34Å; Y381-R800 WeakPolarHBondContact O-CD 3.24Å; Y381-R800 PolarHBondContact O-NH1 2.75Å; Y381-R800 PolarHBondContact OH-NH2 3.3Å; Y381-R800 VanDerWaalsContact OH-NH2 3.15Å; R796-R800 PolarHBondContact O-N 2.66Å; T797-R800 PolarHBondContact O-N 3.07Å; R800-L802 PolarHBondContact O-N 3.43Å; R800-N803 PolarHBondContact O-N 2.87Å; R800-S804 PolarHBondContact O-N 2.92Å
801	D	89.3	Confident	77.8	Confident	44 Å²	44	33.8 Å²	33.8	24%	0.235	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-42	-179.1	-66.5	-6.7	0	0	0	110.5	L780 T797 I798 I799 N803 S804 L805	L780-D801 HydrophobicContact CD1-CB 4.29Å; T797-D801 WeakPolarHBondContact O-CB 3.26Å; T797-D801 PolarHBondContact O-N 2.87Å; I798-D801 PolarHBondContact O-N 3.11Å; I799-D801 VanDerWaalsContact C-N 3.34Å; I799-D801 PolarHBondContact O-N 3.13Å; D801-N803 PolarHBondContact O-N 3.06Å; D801-S804 PolarHBondContact O-N 3.4Å; D801-S804 PolarHBondContact O-OG 3.35Å; D801-L805 WeakPolarHBondContact O-CG 3.33Å; D801-L805 PolarHBondContact O-N 3.06Å
802	L	87.9	Confident	75.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-36.9	173.3	-74.8	172.8	0	0	0	113.5	L648 A651 K652 A655 F736 L777 L780 I798 I799 R800 L805	L648-L802 HydrophobicContact CD2-CD2 4.42Å; A651-L802 HydrophobicContact CB-CD2 4.49Å; K652-L802 HydrophobicContact CG-CB 4.33Å; A655-L802 HydrophobicContact CB-CD1 3.78Å; F736-L802 HydrophobicContact CZ-CD1 4.15Å; L777-L802 HydrophobicContact CD1-CD2 3.94Å; L780-L802 HydrophobicContact CD2-CD2 3.62Å; L780-L802 HydrophobicContact CD2-CG 3.75Å; I798-L802 HydrophobicContact CG2-CD1 3.9Å; I798-L802 HydrophobicContact CG2-CG 4.37Å; I798-L802 WeakPolarHBondContact O-CB 3.06Å; I798-L802 VanDerWaalsContact O-CG 3.26Å; I798-L802 WeakPolarHBondContact O-CG 3.43Å; I798-L802 PolarHBondContact O-N 3.07Å; I799-L802 PolarHBondContact O-N 3.05Å; R800-L802 PolarHBondContact O-N 3.43Å; L802-L805 HydrophobicContact CD2-CD1 4.43Å; L802-L805 PolarHBondContact O-N 2.96Å
803	N	84.8	Confident	73.2	Confident	21 Å²	21	42 Å²	42	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-35.8	176.3	-79.2	-18	0	0	0	111.6	D324 K652 I799 R800 D801 L805 F806	D324-N803 VanDerWaalsContact CG-ND2 3.32Å; D324-N803 PolarHBondContact OD1-ND2 3.48Å; D324-N803 VanDerWaalsContact OD2-CB 3.3Å; D324-N803 WeakPolarHBondContact OD2-CB 3.31Å; D324-N803 PolarHBondContact OD2-ND2 3.14Å; K652-N803 WeakPolarHBondContact CE-OD1 3.29Å; K652-N803 PolarHBondContact NZ-OD1 3.38Å; I799-N803 WeakPolarHBondContact O-CB 3.34Å; I799-N803 PolarHBondContact O-N 3.05Å; R800-N803 PolarHBondContact O-N 2.87Å; D801-N803 PolarHBondContact O-N 3.06Å; N803-L805 PolarHBondContact O-N 2.8Å; N803-F806 PolarHBondContact O-N 2.94Å; N803-F806 VanDerWaalsContact O-N 3.15Å
804	S	79.9	Confident	70.9	Confident	66 Å²	66	44.8 Å²	44.8	46%	0.462	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-22.4	176.2	76.7	0	0	0	0	114.2	R800 D801 F806	R800-S804 PolarHBondContact O-N 2.92Å; D801-S804 PolarHBondContact O-N 3.4Å; D801-S804 PolarHBondContact O-OG 3.35Å; S804-F806 PolarHBondContact O-N 3.49Å
805	L	75.4	Confident	68.4	Low	19 Å²	19	50.3 Å²	50.3	10%	0.099	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.6	175.7	-64.2	176.6	0	0	0	113.5	W774 E776 L777 D801 L802 N803 T807	W774-L805 HydrophobicContact CH2-CB 3.92Å; W774-L805 HydrophobicContact CH2-CD1 3.88Å; W774-L805 HydrophobicContact CH2-CG 4.39Å; W774-L805 HydrophobicContact CZ2-CB 3.81Å; W774-L805 HydrophobicContact CZ2-CD1 3.9Å; W774-L805 HydrophobicContact CZ2-CD2 4.07Å; W774-L805 HydrophobicContact CZ2-CG 4.13Å; E776-L805 HydrophobicContact CB-CD2 3.54Å; E776-L805 HydrophobicContact CG-CD2 4.36Å; L777-L805 HydrophobicContact CD1-CD1 3.84Å; D801-L805 WeakPolarHBondContact O-CG 3.33Å; D801-L805 PolarHBondContact O-N 3.06Å; L802-L805 HydrophobicContact CD2-CD1 4.43Å; L802-L805 PolarHBondContact O-N 2.96Å; N803-L805 PolarHBondContact O-N 2.8Å; L805-T807 PolarHBondContact O-N 2.68Å
806	F	64.6	Low	65.6	Low	47 Å²	47	54.5 Å²	54.5	21%	0.206	30%	0.295	C	S	.	.			trans	-88.2	80	174.6	-84.3	-109.4	0	0	0	110.4	T645 L648 K652 N803 S804	T645-F806 HydrophobicContact CG2-CE1 4.38Å; L648-F806 HydrophobicContact CB-CE2 3.69Å; L648-F806 HydrophobicContact CB-CZ 3.73Å; L648-F806 HydrophobicContact CD1-CD2 4.33Å; L648-F806 HydrophobicContact CD1-CE2 3.75Å; L648-F806 HydrophobicContact CD1-CZ 4.08Å; L648-F806 HydrophobicContact CD2-CE2 4.28Å; L648-F806 HydrophobicContact CG-CE2 4.13Å; K652-F806 HydrophobicContact CD-CE2 3.92Å; K652-F806 HydrophobicContact CD-CZ 4.27Å; K652-F806 VanDerWaalsContact CE-CD2 3.41Å; N803-F806 PolarHBondContact O-N 2.94Å; N803-F806 VanDerWaalsContact O-N 3.15Å; S804-F806 PolarHBondContact O-N 3.49Å
807	T	52.7	Low	63	Low	59 Å²	59	60.8 Å²	60.8	36%	0.362	33%	0.33	S	S	.	.			trans	-100.1	147.4	167.8	60	0	0	0	0	110.8	L805 D809 Y810	L805-T807 PolarHBondContact O-N 2.68Å; T807-D809 PolarHBondContact O-N 3.05Å; T807-D809 VanDerWaalsContact O-N 3.13Å; T807-Y810 PolarHBondContact O-N 3.16Å; T807-Y810 VanDerWaalsContact O-N 3.14Å
808	P	44.9	Very low	60.2	Low	55 Å²	55	68.3 Å²	68.3	36%	0.357	37%	0.365	S	S	.	.	H	α-helix	trans	-54.9	-26.1	171.9	-22.6	32.3	0	0	0	113.2	Y810 E811 L812	P808-Y810 PolarHBondContact O-N 3.47Å; P808-E811 WeakPolarHBondContact O-CB 3.2Å; P808-E811 PolarHBondContact O-N 2.96Å; P808-L812 PolarHBondContact O-N 3.31Å; P808-L812 VanDerWaalsContact O-N 3.08Å
809	D	39.9	Very low	57.3	Low	101 Å²	101	74.3 Å²	74.3	54%	0.54	40%	0.401	S	S	.	.	H	α-helix	trans	-62.2	-29.1	179.3	-56.6	-35	0	0	0	112.7	T807 L813	T807-D809 PolarHBondContact O-N 3.05Å; T807-D809 VanDerWaalsContact O-N 3.13Å; D809-L813 WeakPolarHBondContact O-CB 3.46Å; D809-L813 VanDerWaalsContact O-CG 3.28Å; D809-L813 WeakPolarHBondContact O-CG 3.43Å; D809-L813 PolarHBondContact O-N 3.49Å
810	Y	49.1	Very low	54.9	Low	76 Å²	76	79.2 Å²	79.2	30%	0.298	43%	0.434	S	S	.	.	H	α-helix	trans	-73.3	-28.6	174.2	-112.9	-81.3	0	0	0	112.6	W774 T807 P808 V814	W774-Y810 AromaticContact CE2-CZ 3.88Å; W774-Y810 HydrophobicContact CZ2-CE2 4.16Å; W774-Y810 AromaticContact NE1-CE2 3.86Å; W774-Y810 AromaticContact NE1-CZ 3.63Å; W774-Y810 PolarHBondContact NE1-OH 3.17Å; T807-Y810 PolarHBondContact O-N 3.16Å; T807-Y810 VanDerWaalsContact O-N 3.14Å; P808-Y810 PolarHBondContact O-N 3.47Å; Y810-V814 WeakPolarHBondContact O-CG2 3.44Å; Y810-V814 PolarHBondContact O-N 3.44Å
811	E	43.8	Very low	52	Low	79 Å²	79	85.8 Å²	85.8	37%	0.369	47%	0.47	S	S	.	.	H	α-helix	trans	-72.9	-41.3	173	-67	-179	162.2	0	0	110.4	P808 V814 E815	P808-E811 WeakPolarHBondContact O-CB 3.2Å; P808-E811 PolarHBondContact O-N 2.96Å; E811-V814 PolarHBondContact O-N 3.03Å; E811-E815 PolarHBondContact O-N 3.44Å
812	L	43	Very low	49.2	Very low	105 Å²	105	93.8 Å²	93.8	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-37.4	176.5	-76.1	162.7	0	0	0	113.3	P808 V814 E815	P808-L812 PolarHBondContact O-N 3.31Å; P808-L812 VanDerWaalsContact O-N 3.08Å; L812-V814 VanDerWaalsContact C-N 3.31Å; L812-V814 PolarHBondContact O-N 3.44Å; L812-E815 PolarHBondContact O-N 3.23Å
813	L	43.2	Very low	46.3	Very low	117 Å²	117	100.8 Å²	100.8	61%	0.613	54%	0.54	S	S	*	.	H	α-helix	trans	-68.2	-31.8	175.4	-75	167.5	0	0	0	112.3	D809 S816	D809-L813 WeakPolarHBondContact O-CB 3.46Å; D809-L813 VanDerWaalsContact O-CG 3.28Å; D809-L813 WeakPolarHBondContact O-CG 3.43Å; D809-L813 PolarHBondContact O-N 3.49Å; L813-S816 PolarHBondContact O-OG 3.24Å
814	V	44.3	Very low	43.6	Very low	79 Å²	79	109.3 Å²	109.3	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-80.4	-26	178.5	176.4	0	0	0	0	111.9	Y810 E811 L812 S816 D817	Y810-V814 WeakPolarHBondContact O-CG2 3.44Å; Y810-V814 PolarHBondContact O-N 3.44Å; E811-V814 PolarHBondContact O-N 3.03Å; L812-V814 VanDerWaalsContact C-N 3.31Å; L812-V814 PolarHBondContact O-N 3.44Å; V814-S816 PolarHBondContact O-N 2.99Å; V814-D817 PolarHBondContact O-N 3.11Å
815	E	41.4	Very low	41.2	Very low	133 Å²	133	109.8 Å²	109.8	62%	0.621	59%	0.586	S	S	*	*	H	α-helix	trans	-66.2	-22.9	172.2	-78.6	-170.9	162	0	0	113.4	E811 L812 D817	E811-E815 PolarHBondContact O-N 3.44Å; L812-E815 PolarHBondContact O-N 3.23Å; E815-D817 PolarHBondContact O-N 3.39Å
816	S	35.1	Very low	39.1	Very low	92 Å²	92	116.3 Å²	116.3	64%	0.643	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-17	177.4	80.1	0	0	0	0	113.9	L813 V814	L813-S816 PolarHBondContact O-OG 3.24Å; V814-S816 PolarHBondContact O-N 2.99Å
817	D	35.4	Very low	37.3	Very low	141 Å²	141	117 Å²	117	75%	0.754	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-6.5	-174.4	-102.7	-10.6	0	0	0	115.6	V814 E815	V814-D817 PolarHBondContact O-N 3.11Å; E815-D817 PolarHBondContact O-N 3.39Å
818	M	34	Very low	36.6	Very low	180 Å²	180	117.9 Å²	117.9	89%	0.887	63%	0.633	S	S	*	*	S	Bend	trans	-160	126.9	164.6	-68.4	-151.4	108.1	0	0	113.8
819	V	31.6	Very low	35.8	Very low	126 Å²	126	119.9 Å²	119.9	76%	0.764	65%	0.646	S	S	*	*			trans	-108.8	161.1	-178.4	178.9	0	0	0	0	110.3
820	P	41.4	Very low	35.7	Very low	106 Å²	106	119.3 Å²	119.3	69%	0.688	64%	0.636	S	S	*	*			cis	-125.5	159.8	3.8	15.1	10.5	0	0	0	117.9
821	N	29.8	Very low	34.8	Very low	156 Å²	156	118.2 Å²	118.2	83%	0.834	64%	0.643	S	S	*	*			trans	51.4	105.6	149.3	-78.7	-4	0	0	0	118.6
822	R	30.4	Very low	34.1	Very low	211 Å²	211	119.1 Å²	119.1	80%	0.796	66%	0.658	S	S	*	*			trans	-133.6	112.7	147.4	-76	-171.1	174.8	-176.1	-1.2	111.4	R824	R822-R824 PolarHBondContact O-N 3.48Å
823	T	28	Very low	33.5	Very low	148 Å²	148	119.8 Å²	119.8	91%	0.908	67%	0.666	S	S	*	*			trans	-57.3	106.7	148.2	-3.2	0	0	0	0	108.1
824	R	28	Very low	33.2	Very low	200 Å²	200	118.3 Å²	118.3	76%	0.755	67%	0.665	S	S	*	*			trans	-160.3	135	163.6	-113.6	174.5	-169.2	-163.5	0.5	111	R822	R822-R824 PolarHBondContact O-N 3.48Å
825	G	28.4	Very low	32.6	Very low	76 Å²	76	119.3 Å²	119.3	78%	0.784	67%	0.665	S	S	*	*			trans	-55.5	134.8	-175.2	0	0	0	0	0	113.6	G827	G825-G827 VanDerWaalsContact C-N 3.29Å; G825-G827 PolarHBondContact O-N 3.32Å
826	F	31	Very low	32.4	Very low	156 Å²	156	121.5 Å²	121.5	68%	0.684	68%	0.675	S	S	*	*			trans	-63.4	88.5	165.2	-81.7	-92.5	0	0	0	109.2
827	G	27.7	Very low	32.9	Very low	61 Å²	61	120.5 Å²	120.5	63%	0.629	67%	0.666	S	S	*	*			trans	-134	96.5	170.5	0	0	0	0	0	107.4	G825	G825-G827 VanDerWaalsContact C-N 3.29Å; G825-G827 PolarHBondContact O-N 3.32Å
828	F	37.2	Very low	34.3	Very low	78 Å²	78	116.5 Å²	116.5	34%	0.342	65%	0.653	S	S	.	*			trans	-63.5	129.7	176.6	-74.2	-87.6	0	0	0	109.4	W830	F828-W830 VanDerWaalsContact C-CD1 3.5Å; F828-W830 VanDerWaalsContact C-N 3.26Å; F828-W830 HydrophobicContact CB-CG 4.49Å; F828-W830 AromaticContact CG-NE1 3.74Å; F828-W830 PolarHBondContact O-N 3.46Å
829	P	29.5	Very low	36.3	Very low	96 Å²	96	114.1 Å²	114.1	62%	0.623	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	4.7	-169.8	-18.7	31.5	0	0	0	117.7	A831	P829-A831 VanDerWaalsContact C-N 3.25Å
830	W	37.8	Very low	38.9	Very low	90 Å²	90	108.8 Å²	108.8	34%	0.341	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-7.3	179.1	62	-67.1	0	0	0	112.3	I350 E352 F828 S832	I350-W830 HydrophobicContact CB-CE3 3.4Å; I350-W830 VanDerWaalsContact CB-CE3 3.4Å; I350-W830 HydrophobicContact CB-CH2 3.78Å; I350-W830 HydrophobicContact CB-CZ3 2.92Å; I350-W830 HydrophobicContact CD1-CE3 3.35Å; I350-W830 HydrophobicContact CD1-CH2 4.37Å; I350-W830 HydrophobicContact CD1-CZ3 3.13Å; I350-W830 HydrophobicContact CG1-CE3 3.55Å; I350-W830 HydrophobicContact CG1-CH2 4.48Å; I350-W830 HydrophobicContact CG1-CZ3 3.31Å; I350-W830 HydrophobicContact CG2-CE3 3.99Å; I350-W830 HydrophobicContact CG2-CH2 3.34Å; I350-W830 HydrophobicContact CG2-CZ3 2.99Å; E352-W830 HydrophobicContact CG-CH2 3.77Å; E352-W830 HydrophobicContact CG-CZ2 3.7Å; E352-W830 WeakPolarHBondContact OE1-CZ2 3.29Å; E352-W830 WeakPolarHBondContact OE2-CZ2 3.39Å; F828-W830 VanDerWaalsContact C-CD1 3.5Å; F828-W830 VanDerWaalsContact C-N 3.26Å; F828-W830 HydrophobicContact CB-CG 4.49Å; F828-W830 AromaticContact CG-NE1 3.74Å; F828-W830 PolarHBondContact O-N 3.46Å; W830-S832 PolarHBondContact O-N 2.81Å
831	A	29.1	Very low	40.9	Very low	52 Å²	52	107.1 Å²	107.1	43%	0.43	59%	0.589	S	S	.	*			trans	-68.1	65.9	162.7	0	0	0	0	0	109.8	L283 P829 V833	L283-A831 HydrophobicContact CD1-CB 4.29Å; P829-A831 VanDerWaalsContact C-N 3.25Å; A831-V833 PolarHBondContact O-N 3.43Å
832	S	29.7	Very low	43.6	Very low	99 Å²	99	102.4 Å²	102.4	69%	0.692	56%	0.562	S	S	*	*			trans	-65.7	92.2	151.4	-175.3	0	0	0	0	105.7	W830 S834	W830-S832 PolarHBondContact O-N 2.81Å; S832-S834 PolarHBondContact O-N 3.22Å; S832-S834 PolarHBondContact O-OG 3.01Å
833	V	29.7	Very low	46.2	Very low	119 Å²	119	101.2 Å²	101.2	72%	0.721	56%	0.557	S	S	*	*			trans	-41.8	104.6	171	-179.9	0	0	0	0	108.2	A831 Q835	A831-V833 PolarHBondContact O-N 3.43Å; V833-Q835 HydrophobicContact CG1-CB 4.46Å; V833-Q835 PolarHBondContact O-N 2.86Å
834	S	37.2	Very low	49.1	Very low	85 Å²	85	95.1 Å²	95.1	59%	0.594	52%	0.519	S	S	*	.			trans	-95.1	85.5	169.5	-60.3	0	0	0	0	106.9	S832	S832-S834 PolarHBondContact O-N 3.22Å; S832-S834 PolarHBondContact O-OG 3.01Å
835	Q	32.9	Very low	52	Low	101 Å²	101	86.6 Å²	86.6	47%	0.472	49%	0.488	S	S	.	.			trans	-125.6	136.8	158.4	-77.1	-172.5	-6.3	0	0	107.5	V833	V833-Q835 HydrophobicContact CG1-CB 4.46Å; V833-Q835 PolarHBondContact O-N 2.86Å
836	E	35.5	Very low	54.9	Low	179 Å²	179	85.8 Å²	85.8	84%	0.836	47%	0.465	S	S	*	.	S	Bend	trans	-47.6	167.8	-172.5	-51.5	178.6	135.3	0	0	117.1
837	P	47.4	Very low	57.7	Low	70 Å²	70	79.2 Å²	79.2	46%	0.455	44%	0.436	S	S	.	.			cis	-94.8	135.3	-49.2	33.4	-22.2	0	0	0	109.5	Q839	P837-Q839 PolarHBondContact O-N 3.35Å
838	A	63.6	Low	60.6	Low	57 Å²	57	76.5 Å²	76.5	47%	0.471	41%	0.407	S	S	.	.			trans	-62.7	108.3	-176.7	0	0	0	0	0	111.4	F840 G911	A838-F840 HydrophobicContact CB-CD2 4.3Å; A838-F840 HydrophobicContact CB-CE2 3.8Å; A838-F840 WeakPolarHBondContact O-CD2 3.39Å; A838-F840 PolarHBondContact O-N 3.48Å; A838-G911 WeakPolarHBondContact O-CA 3.31Å
839	Q	75.4	Confident	63	Low	131 Å²	131	75.1 Å²	75.1	61%	0.612	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	111.5	165.9	-176.4	176.5	-9.6	0	0	108	P837	P837-Q839 PolarHBondContact O-N 3.35Å
840	F	86.1	Confident	65.7	Low	13 Å²	13	73.5 Å²	73.5	6%	0.057	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	142.7	174.9	-74	-109.9	0	0	0	109.3	A838 Y864 K910 V912 C913 I924	A838-F840 HydrophobicContact CB-CD2 4.3Å; A838-F840 HydrophobicContact CB-CE2 3.8Å; A838-F840 WeakPolarHBondContact O-CD2 3.39Å; A838-F840 PolarHBondContact O-N 3.48Å; F840-Y864 HydrophobicContact CB-CD2 4.45Å; F840-Y864 HydrophobicContact CB-CE2 4.01Å; F840-Y864 AromaticContact CD1-CD1 3.56Å; F840-Y864 HydrophobicContact CD1-CD1 3.56Å; F840-Y864 AromaticContact CD1-CD2 3.43Å; F840-Y864 HydrophobicContact CD1-CD2 3.43Å; F840-Y864 VanDerWaalsContact CD1-CD2 3.43Å; F840-Y864 AromaticContact CD1-CE1 3.74Å; F840-Y864 HydrophobicContact CD1-CE1 3.74Å; F840-Y864 AromaticContact CD1-CE2 3.6Å; F840-Y864 HydrophobicContact CD1-CE2 3.6Å; F840-Y864 AromaticContact CD1-CG 3.38Å; F840-Y864 HydrophobicContact CD1-CG 3.38Å; F840-Y864 AromaticContact CD1-CZ 3.76Å; F840-Y864 AromaticContact CE1-CD1 3.45Å; F840-Y864 HydrophobicContact CE1-CD1 3.45Å; F840-Y864 VanDerWaalsContact CE1-CD1 3.45Å; F840-Y864 HydrophobicContact CE1-CD2 4.13Å; F840-Y864 AromaticContact CE1-CE1 3.87Å; F840-Y864 HydrophobicContact CE1-CE1 3.87Å; F840-Y864 HydrophobicContact CE1-CE2 4.47Å; F840-Y864 AromaticContact CE1-CG 3.58Å; F840-Y864 HydrophobicContact CE1-CG 3.58Å; F840-Y864 HydrophobicContact CG-CD2 4.37Å; F840-Y864 HydrophobicContact CG-CE2 4.17Å; F840-K910 HydrophobicContact CE2-CB 4.29Å; F840-K910 WeakPolarHBondContact CE2-O 3.26Å; F840-K910 HydrophobicContact CZ-CB 4.14Å; F840-V912 PolarHBondContact N-O 3.1Å; F840-C913 HydrophobicContact CB-CB 3.89Å; F840-C913 WeakPolarHBondContact O-CA 3.45Å; F840-I924 HydrophobicContact CB-CG1 4.04Å; F840-I924 HydrophobicContact CD1-CG1 4.19Å; F840-I924 HydrophobicContact CD1-CG2 4.08Å; F840-I924 HydrophobicContact CD2-CB 4.19Å; F840-I924 HydrophobicContact CD2-CG1 3.87Å; F840-I924 HydrophobicContact CD2-CG2 4.4Å; F840-I924 HydrophobicContact CE1-CG2 3.87Å; F840-I924 HydrophobicContact CE2-CB 4.26Å; F840-I924 HydrophobicContact CE2-CG1 4.45Å; F840-I924 HydrophobicContact CE2-CG2 4.21Å; F840-I924 HydrophobicContact CG-CB 4.4Å; F840-I924 HydrophobicContact CG-CG1 3.77Å; F840-I924 HydrophobicContact CG-CG2 4.38Å; F840-I924 HydrophobicContact CZ-CB 4.5Å; F840-I924 HydrophobicContact CZ-CG2 3.95Å
841	E	85.1	Confident	68	Low	72 Å²	72	72.4 Å²	72.4	34%	0.336	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	177.5	-62.9	-176.2	174.1	0	0	110.2	R843 H844	E841-R843 VanDerWaalsContact C-N 3.26Å; E841-R843 HydrophobicContact CB-CG 4.15Å; E841-R843 PolarHBondContact O-N 3.24Å; E841-R843 IonicContact OE1-NH2 3.36Å; E841-R843 PolarHBondContact OE1-NH2 3.48Å; E841-R843 VanDerWaalsContact OE1-NH2 3.14Å; E841-R843 IonicContact OE2-CZ 3.64Å; E841-R843 IonicContact OE2-NE 2.81Å; E841-R843 PolarHBondContact OE2-NE 3.12Å; E841-R843 IonicContact OE2-NH2 3.49Å; E841-R843 PolarHBondContact OE2-NH2 2.88Å; E841-H844 PolarHBondContact O-N 3.29Å; E841-H844 IonicContact OE2-CE1 3.7Å; E841-H844 PolarHBondContact OE2-CE1 2.92Å; E841-H844 IonicContact OE2-ND1 3.76Å; E841-H844 PolarHBondContact OE2-ND1 3.32Å; E841-H844 IonicContact OE2-NE2 3.59Å
842	E	85.3	Confident	70.5	Confident	57 Å²	57	71.4 Å²	71.4	27%	0.266	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-57.2	-39.5	-175	-175.8	175.6	-144	0	0	112.9	H844 L845 C913 S915 R922	E842-H844 PolarHBondContact O-N 2.83Å; E842-L845 PolarHBondContact O-N 3.43Å; E842-C913 WeakPolarHBondContact CA-SG 3.37Å; E842-C913 VanDerWaalsContact CB-SG 3.58Å; E842-C913 PolarHBondContact N-SG 2.82Å; E842-S915 VanDerWaalsContact CD-OG 3.31Å; E842-S915 PolarHBondContact OE1-OG 2.93Å; E842-S915 WeakPolarHBondContact OE2-CA 3.43Å; E842-S915 WeakPolarHBondContact OE2-CB 3.37Å; E842-S915 PolarHBondContact OE2-OG 3.21Å; E842-R922 IonicContact OE1-CZ 2.83Å; E842-R922 IonicContact OE1-NE 2.72Å; E842-R922 IonicContact OE1-NH1 3.23Å; E842-R922 IonicContact OE1-NH2 3.4Å; E842-R922 PolarHBondContact OE1-NH2 3.19Å
843	R	85.4	Confident	72.7	Confident	185 Å²	185	72 Å²	72	70%	0.698	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-58.8	-20.2	178.9	57.3	171.3	175.2	-135.4	1.9	114	E841	E841-R843 VanDerWaalsContact C-N 3.26Å; E841-R843 HydrophobicContact CB-CG 4.15Å; E841-R843 PolarHBondContact O-N 3.24Å; E841-R843 IonicContact OE1-NH2 3.36Å; E841-R843 PolarHBondContact OE1-NH2 3.48Å; E841-R843 VanDerWaalsContact OE1-NH2 3.14Å; E841-R843 IonicContact OE2-CZ 3.64Å; E841-R843 IonicContact OE2-NE 2.81Å; E841-R843 PolarHBondContact OE2-NE 3.12Å; E841-R843 IonicContact OE2-NH2 3.49Å; E841-R843 PolarHBondContact OE2-NH2 2.88Å
844	H	88.9	Confident	74.4	Confident	21 Å²	21	68.1 Å²	68.1	10%	0.097	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-100.7	-3.9	179.1	-55.9	151	0	0	0	112.4	E841 E842 I846 R863 Y864 D865 P866	E841-H844 PolarHBondContact O-N 3.29Å; E841-H844 IonicContact OE2-CE1 3.7Å; E841-H844 PolarHBondContact OE2-CE1 2.92Å; E841-H844 IonicContact OE2-ND1 3.76Å; E841-H844 PolarHBondContact OE2-ND1 3.32Å; E841-H844 IonicContact OE2-NE2 3.59Å; E842-H844 PolarHBondContact O-N 2.83Å; H844-I846 PolarHBondContact O-N 2.8Å; H844-R863 VanDerWaalsContact O-O 3.13Å; H844-Y864 HydrophobicContact CB-CD2 3.83Å; H844-Y864 HydrophobicContact CB-CE2 3.57Å; H844-Y864 CarbonylContact O-C 3.39Å; H844-Y864 WeakPolarHBondContact O-CA 3.23Å; H844-D865 PolarHBondContact O-N 3.21Å; H844-P866 HydrophobicContact CB-CG 4.45Å
845	L	89.1	Confident	75.2	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.9	175.1	-71.2	172	0	0	0	110.2	E842 C862 Y864 V875 V877 C913 I924	E842-L845 PolarHBondContact O-N 3.43Å; L845-C862 HydrophobicContact CD2-CB 4.28Å; L845-Y864 HydrophobicContact CD2-CD2 3.75Å; L845-Y864 HydrophobicContact CD2-CG 4.28Å; L845-Y864 HydrophobicContact CG-CD2 4.06Å; L845-V875 HydrophobicContact CD2-CG2 4.1Å; L845-V877 HydrophobicContact CD2-CG2 4.19Å; L845-C913 HydrophobicContact CD1-CB 3.95Å; L845-I924 HydrophobicContact CD1-CD1 3.94Å; L845-I924 HydrophobicContact CD2-CD1 4.36Å
846	I	89.1	Confident	76.4	Confident	59 Å²	59	69 Å²	69	30%	0.303	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116	177.8	-53.8	172.2	0	0	0	108.5	H844 C862 R863 D865	H844-I846 PolarHBondContact O-N 2.8Å; I846-C862 CarbonylContact O-C 3.49Å; I846-C862 WeakPolarHBondContact O-CA 3.38Å; I846-C862 WeakPolarHBondContact O-CB 3.42Å; I846-R863 HydrophobicContact CB-CB 4.33Å; I846-R863 PolarHBondContact N-O 3.45Å; I846-R863 PolarHBondContact O-N 3.39Å; I846-D865 HydrophobicContact CD1-CB 3.8Å
847	F	89.8	Confident	78.3	Confident	18 Å²	18	60.8 Å²	60.8	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.9	175.8	174.9	-94.5	0	0	0	111.3	E563 H571 Q850 E860	E563-F847 HydrophobicContact CB-CE1 4.09Å; E563-F847 HydrophobicContact CG-CE1 3.69Å; E563-F847 HydrophobicContact CG-CZ 4.23Å; H571-F847 HydrophobicContact CB-CD1 3.74Å; H571-F847 HydrophobicContact CB-CE1 4.29Å; H571-F847 AromaticContact CD2-CD1 3.29Å; H571-F847 WeakPolarHBondContact CD2-CD1 3.48Å; H571-F847 AromaticContact CD2-CE1 3.65Å; H571-F847 AromaticContact CD2-CG 3.85Å; H571-F847 AromaticContact CG-CD1 3.46Å; H571-F847 VanDerWaalsContact CG-CD1 3.46Å; H571-F847 AromaticContact NE2-CD1 3.96Å; F847-Q850 HydrophobicContact CZ-CB 4.35Å; F847-E860 HydrophobicContact CD2-CB 4Å; F847-E860 HydrophobicContact CD2-CG 4.04Å; F847-E860 WeakPolarHBondContact CD2-OE2 3.34Å; F847-E860 HydrophobicContact CE2-CB 3.99Å; F847-E860 HydrophobicContact CE2-CG 3.79Å
848	L	88.6	Confident	80.1	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-44.7	177.1	-58	179.2	0	0	0	112.5	L573 L608 Y610 M861 R863 V874	L573-L848 HydrophobicContact CD1-CD2 4.15Å; L573-L848 HydrophobicContact CD2-CD2 4.05Å; L608-L848 HydrophobicContact CD2-CD1 3.84Å; Y610-L848 HydrophobicContact CE1-CD2 4.21Å; L848-M861 WeakPolarHBondContact CA-O 3.35Å; L848-M861 HydrophobicContact CB-CG 4.3Å; L848-M861 WeakPolarHBondContact CB-O 3.44Å; L848-M861 HydrophobicContact CB-SD 4.41Å; L848-M861 HydrophobicContact CD1-CE 4.04Å; L848-M861 HydrophobicContact CD1-CG 4.3Å; L848-M861 PolarHBondContact N-O 3.43Å; L848-R863 HydrophobicContact CD1-CB 4.11Å; L848-R863 HydrophobicContact CD2-CB 4.43Å; L848-R863 HydrophobicContact CG-CB 4.38Å; L848-V874 HydrophobicContact CD1-CG2 4.34Å
849	K	87	Confident	81.3	Confident	50 Å²	50	56.7 Å²	56.7	22%	0.217	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	147.4	-173.5	179.4	-177.9	173	-170.3	0	111.3	M861	K849-M861 HydrophobicContact CB-CB 4.15Å; K849-M861 HydrophobicContact CB-SD 4.19Å; K849-M861 PolarHBondContact N-O 2.84Å; K849-M861 WeakPolarHBondContact O-CB 3.45Å; K849-M861 PolarHBondContact O-N 3.44Å
850	Q	87.1	Confident	82.1	Confident	61 Å²	61	50.7 Å²	50.7	29%	0.285	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.2	167.7	-168.6	171.8	-3.2	0	0	111.7	F847	F847-Q850 HydrophobicContact CZ-CB 4.35Å
851	L	85.8	Confident	82.4	Confident	67 Å²	67	50.5 Å²	50.5	35%	0.351	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-38.1	-178.8	-63.6	177.9	0	0	0	112.5	V859 M861 A876 Y927	L851-V859 WeakPolarHBondContact CA-O 3.27Å; L851-V859 HydrophobicContact CB-CB 4.46Å; L851-V859 HydrophobicContact CB-CG1 4.3Å; L851-V859 WeakPolarHBondContact CB-O 3.26Å; L851-V859 HydrophobicContact CD1-CG1 4.22Å; L851-V859 PolarHBondContact N-O 3.38Å; L851-M861 HydrophobicContact CD1-CB 3.94Å; L851-M861 HydrophobicContact CD2-CB 3.93Å; L851-M861 HydrophobicContact CG-CB 3.84Å; L851-A876 HydrophobicContact CD1-CB 4.31Å; L851-Y927 HydrophobicContact CD1-CD2 3.8Å; L851-Y927 HydrophobicContact CD1-CE2 3.85Å; L851-Y927 HydrophobicContact CD2-CE2 3.8Å; L851-Y927 HydrophobicContact CG-CE2 4.49Å
852	G	81.4	Confident	82.7	Confident	32 Å²	32	47.1 Å²	47.1	33%	0.33	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	157.6	179.2	0	0	0	0	0	112	S858 V859	G852-S858 WeakPolarHBondContact O-CA 3.3Å; G852-V859 PolarHBondContact N-O 3.26Å; G852-V859 VanDerWaalsContact N-O 3.11Å; G852-V859 PolarHBondContact O-N 2.68Å
853	K	76	Confident	82.9	Confident	111 Å²	111	44.7 Å²	44.7	48%	0.483	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	120.9	175.4	-176.4	165.3	-177.5	161.9	0	109.4	D566 Q881	D566-K853 IonicContact OD1-NZ 3.37Å; D566-K853 PolarHBondContact OD1-NZ 3.23Å; K853-Q881 VanDerWaalsContact CE-NE2 3.31Å
854	G	65.2	Low	83.2	Confident	38 Å²	38	38 Å²	38	39%	0.392	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	-179.1	172.6	0	0	0	0	0	110.2	F856 G857 Q881	G854-F856 PolarHBondContact O-N 2.88Å; G854-G857 PolarHBondContact N-O 3.28Å; G854-G857 PolarHBondContact O-N 3.5Å; G854-G857 VanDerWaalsContact O-O 3.11Å; G854-Q881 PolarHBondContact O-OE1 3.34Å
855	N	54.7	Low	83.1	Confident	105 Å²	105	37.1 Å²	37.1	56%	0.561	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.7	-176.5	-71.2	-18.4	0	0	0	113.5	E1011	N855-E1011 WeakPolarHBondContact CB-OE2 3.3Å; N855-E1011 PolarHBondContact ND2-OE1 3.27Å; N855-E1011 PolarHBondContact ND2-OE2 3.01Å
856	F	58.8	Low	82.9	Confident	98 Å²	98	38.9 Å²	38.9	43%	0.43	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14	177.1	-59.7	-75.4	0	0	0	113.7	G854 L993 E1011	G854-F856 PolarHBondContact O-N 2.88Å; F856-L993 HydrophobicContact CE1-CD2 4.48Å; F856-L993 HydrophobicContact CZ-CD2 4.38Å; F856-E1011 HydrophobicContact CZ-CB 4.13Å
857	G	74.3	Confident	82.6	Confident	8 Å²	8	41 Å²	41	8%	0.082	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.8	171.4	-176	0	0	0	0	0	114.9	G854 K879	G854-G857 PolarHBondContact N-O 3.28Å; G854-G857 PolarHBondContact O-N 3.5Å; G854-G857 VanDerWaalsContact O-O 3.11Å; G857-K879 CarbonylContact C-O 3.53Å; G857-K879 WeakPolarHBondContact CA-O 3.29Å
858	S	85.5	Confident	82.2	Confident	2 Å²	2	47 Å²	47	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.2	170.6	57.6	0	0	0	0	110.7	D566 G852 K878 K879	D566-S858 WeakPolarHBondContact OD2-CB 3.49Å; D566-S858 PolarHBondContact OD2-OG 3.47Å; G852-S858 WeakPolarHBondContact O-CA 3.3Å; S858-K878 WeakPolarHBondContact O-CA 3.26Å; S858-K879 PolarHBondContact N-O 3.28Å; S858-K879 PolarHBondContact O-N 3.48Å
859	V	89.7	Confident	81.9	Confident	39 Å²	39	48.1 Å²	48.1	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	170.2	-173.8	0	0	0	0	107.6	L851 G852 A876 V877 K878	L851-V859 WeakPolarHBondContact CA-O 3.27Å; L851-V859 HydrophobicContact CB-CB 4.46Å; L851-V859 HydrophobicContact CB-CG1 4.3Å; L851-V859 WeakPolarHBondContact CB-O 3.26Å; L851-V859 HydrophobicContact CD1-CG1 4.22Å; L851-V859 PolarHBondContact N-O 3.38Å; G852-V859 PolarHBondContact N-O 3.26Å; G852-V859 VanDerWaalsContact N-O 3.11Å; G852-V859 PolarHBondContact O-N 2.68Å; V859-A876 HydrophobicContact CG1-CB 4.3Å; V859-V877 WeakPolarHBondContact CA-O 3.27Å; V859-K878 HydrophobicContact CG2-CB 4.21Å; V859-K878 HydrophobicContact CG2-CD 4.43Å; V859-K878 HydrophobicContact CG2-CG 4.06Å
860	E	91.1	Very high	81.7	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.023	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.3	-178	-59.2	175.1	-178.5	0	0	110.3	F847 A876 V877 K879	F847-E860 HydrophobicContact CD2-CB 4Å; F847-E860 HydrophobicContact CD2-CG 4.04Å; F847-E860 WeakPolarHBondContact CD2-OE2 3.34Å; F847-E860 HydrophobicContact CE2-CB 3.99Å; F847-E860 HydrophobicContact CE2-CG 3.79Å; E860-A876 CarbonylContact O-C 3.22Å; E860-A876 WeakPolarHBondContact O-CA 3.35Å; E860-V877 PolarHBondContact N-O 2.94Å; E860-V877 PolarHBondContact O-N 3.01Å; E860-K879 VanDerWaalsContact CD-CE 3.41Å; E860-K879 WeakPolarHBondContact OE1-CE 3.3Å; E860-K879 IonicContact OE1-NZ 2.84Å; E860-K879 PolarHBondContact OE1-NZ 2.95Å; E860-K879 WeakPolarHBondContact OE2-CE 3.32Å; E860-K879 IonicContact OE2-NZ 2.72Å; E860-K879 PolarHBondContact OE2-NZ 2.85Å
861	M	91.6	Very high	81.6	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.044	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.2	165.6	-176	-171.8	177.1	0	0	107.5	L608 L848 K849 L851 V874 Y927	L608-M861 HydrophobicContact CD1-CE 3.8Å; L608-M861 HydrophobicContact CD2-CE 3.66Å; L608-M861 HydrophobicContact CG-CE 4.35Å; L848-M861 WeakPolarHBondContact CA-O 3.35Å; L848-M861 HydrophobicContact CB-CG 4.3Å; L848-M861 WeakPolarHBondContact CB-O 3.44Å; L848-M861 HydrophobicContact CB-SD 4.41Å; L848-M861 HydrophobicContact CD1-CE 4.04Å; L848-M861 HydrophobicContact CD1-CG 4.3Å; L848-M861 PolarHBondContact N-O 3.43Å; K849-M861 HydrophobicContact CB-CB 4.15Å; K849-M861 HydrophobicContact CB-SD 4.19Å; K849-M861 PolarHBondContact N-O 2.84Å; K849-M861 WeakPolarHBondContact O-CB 3.45Å; K849-M861 PolarHBondContact O-N 3.44Å; L851-M861 HydrophobicContact CD1-CB 3.94Å; L851-M861 HydrophobicContact CD2-CB 3.93Å; L851-M861 HydrophobicContact CG-CB 3.84Å; M861-V874 HydrophobicContact CE-CG1 3.49Å; M861-V874 VanDerWaalsContact CE-CG1 3.49Å; M861-V874 HydrophobicContact CE-CG2 4.48Å; M861-V874 HydrophobicContact CG-CG1 3.81Å; M861-Y927 HydrophobicContact CE-CD1 4.31Å; M861-Y927 HydrophobicContact CE-CE1 3.8Å; M861-Y927 HydrophobicContact CG-CD2 4.36Å; M861-Y927 HydrophobicContact CG-CE2 4.3Å; M861-Y927 HydrophobicContact SD-CE1 4.33Å; M861-Y927 HydrophobicContact SD-CE2 4.31Å
862	C	91.9	Very high	81.5	Confident	1 Å²	1	43 Å²	43	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.1	178	-62.1	0	0	0	0	110.6	L845 I846 V874 V875 V877	L845-C862 HydrophobicContact CD2-CB 4.28Å; I846-C862 CarbonylContact O-C 3.49Å; I846-C862 WeakPolarHBondContact O-CA 3.38Å; I846-C862 WeakPolarHBondContact O-CB 3.42Å; C862-V874 CarbonylContact O-C 3.44Å; C862-V874 WeakPolarHBondContact O-CA 3.28Å; C862-V875 HydrophobicContact CB-CG2 4.2Å; C862-V875 PolarHBondContact N-O 3.46Å; C862-V875 PolarHBondContact O-N 2.93Å; C862-V877 HydrophobicContact CB-CG2 3.72Å
863	R	90.7	Very high	81.7	Confident	6 Å²	6	46.3 Å²	46.3	2%	0.023	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.7	162.4	-170.8	-178	-67.3	139.8	-3	108.3	Y610 E624 H844 I846 L848 D865 G872 E873	Y610-R863 PolarHBondContact OH-NH2 2.76Å; Y610-R863 VanDerWaalsContact OH-NH2 3.08Å; E624-R863 IonicContact OE1-CZ 3.99Å; E624-R863 IonicContact OE1-NE 3.09Å; E624-R863 IonicContact OE1-NH1 3.21Å; E624-R863 IonicContact OE1-NH2 3.95Å; E624-R863 PolarHBondContact OE1-NH2 2.82Å; E624-R863 IonicContact OE2-NH2 3.01Å; H844-R863 VanDerWaalsContact O-O 3.13Å; I846-R863 HydrophobicContact CB-CB 4.33Å; I846-R863 PolarHBondContact N-O 3.45Å; I846-R863 PolarHBondContact O-N 3.39Å; L848-R863 HydrophobicContact CD1-CB 4.11Å; L848-R863 HydrophobicContact CD2-CB 4.43Å; L848-R863 HydrophobicContact CG-CB 4.38Å; R863-D865 HydrophobicContact CG-CB 4.23Å; R863-G872 WeakPolarHBondContact CG-O 3.42Å; R863-E873 CarbonylContact C-O 3.57Å; R863-E873 WeakPolarHBondContact CA-O 3.49Å
864	Y	90.7	Very high	82.4	Confident	45 Å²	45	42.2 Å²	42.2	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	107	169.5	-178.3	-114.3	0	0	0	109.6	F840 H844 L845 P866 G872 E873	F840-Y864 HydrophobicContact CB-CD2 4.45Å; F840-Y864 HydrophobicContact CB-CE2 4.01Å; F840-Y864 AromaticContact CD1-CD1 3.56Å; F840-Y864 HydrophobicContact CD1-CD1 3.56Å; F840-Y864 AromaticContact CD1-CD2 3.43Å; F840-Y864 HydrophobicContact CD1-CD2 3.43Å; F840-Y864 VanDerWaalsContact CD1-CD2 3.43Å; F840-Y864 AromaticContact CD1-CE1 3.74Å; F840-Y864 HydrophobicContact CD1-CE1 3.74Å; F840-Y864 AromaticContact CD1-CE2 3.6Å; F840-Y864 HydrophobicContact CD1-CE2 3.6Å; F840-Y864 AromaticContact CD1-CG 3.38Å; F840-Y864 HydrophobicContact CD1-CG 3.38Å; F840-Y864 AromaticContact CD1-CZ 3.76Å; F840-Y864 AromaticContact CE1-CD1 3.45Å; F840-Y864 HydrophobicContact CE1-CD1 3.45Å; F840-Y864 VanDerWaalsContact CE1-CD1 3.45Å; F840-Y864 HydrophobicContact CE1-CD2 4.13Å; F840-Y864 AromaticContact CE1-CE1 3.87Å; F840-Y864 HydrophobicContact CE1-CE1 3.87Å; F840-Y864 HydrophobicContact CE1-CE2 4.47Å; F840-Y864 AromaticContact CE1-CG 3.58Å; F840-Y864 HydrophobicContact CE1-CG 3.58Å; F840-Y864 HydrophobicContact CG-CD2 4.37Å; F840-Y864 HydrophobicContact CG-CE2 4.17Å; H844-Y864 HydrophobicContact CB-CD2 3.83Å; H844-Y864 HydrophobicContact CB-CE2 3.57Å; H844-Y864 CarbonylContact O-C 3.39Å; H844-Y864 WeakPolarHBondContact O-CA 3.23Å; L845-Y864 HydrophobicContact CD2-CD2 3.75Å; L845-Y864 HydrophobicContact CD2-CG 4.28Å; L845-Y864 HydrophobicContact CG-CD2 4.06Å; Y864-P866 HydrophobicContact CD1-CG 3.99Å; Y864-P866 HydrophobicContact CE1-CG 3.43Å; Y864-P866 VanDerWaalsContact CE1-CG 3.43Å; Y864-P866 HydrophobicContact CE2-CG 4.36Å; Y864-G872 CarbonylContact O-C 3.58Å; Y864-G872 WeakPolarHBondContact O-CA 3.32Å; Y864-E873 PolarHBondContact N-O 2.98Å; Y864-E873 PolarHBondContact O-N 2.85Å; Y864-E873 VanDerWaalsContact O-N 3.1Å
865	D	87.3	Confident	83.6	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.011	21%	0.213	C	C	.	.			trans	-130.8	79.5	-168.6	-171.5	12.8	0	0	0	112.6	H844 I846 R863 L867 Q868 D869 S870	H844-D865 PolarHBondContact O-N 3.21Å; I846-D865 HydrophobicContact CD1-CB 3.8Å; R863-D865 HydrophobicContact CG-CB 4.23Å; D865-L867 PolarHBondContact O-N 3.5Å; D865-Q868 PolarHBondContact O-N 3.2Å; D865-Q868 PolarHBondContact OD1-N 3.43Å; D865-Q868 WeakPolarHBondContact OD2-CA 3.22Å; D865-D869 PolarHBondContact OD1-N 3.04Å; D865-D869 PolarHBondContact OD2-N 3.37Å; D865-D869 VanDerWaalsContact OD2-N 3.15Å; D865-S870 VanDerWaalsContact OD2-CA 3.24Å; D865-S870 WeakPolarHBondContact OD2-CA 3.26Å; D865-S870 PolarHBondContact OD2-N 3.43Å
866	P	84.7	Confident	85.5	Confident	57 Å²	57	35.8 Å²	35.8	37%	0.37	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.8	179.8	-24.8	35.6	0	0	0	114.7	H844 Y864	H844-P866 HydrophobicContact CB-CG 4.45Å; Y864-P866 HydrophobicContact CD1-CG 3.99Å; Y864-P866 HydrophobicContact CE1-CG 3.43Å; Y864-P866 VanDerWaalsContact CE1-CG 3.43Å; Y864-P866 HydrophobicContact CE2-CG 4.36Å
867	L	82.1	Confident	87.1	Confident	103 Å²	103	31.1 Å²	31.1	54%	0.539	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.2	-178	-61.4	176.7	0	0	0	112.6	D865 D869	D865-L867 PolarHBondContact O-N 3.5Å; L867-D869 HydrophobicContact CB-CB 4.48Å; L867-D869 WeakPolarHBondContact CB-OD2 3.44Å; L867-D869 PolarHBondContact O-N 2.75Å
868	Q	83.1	Confident	87.8	Confident	144 Å²	144	31.3 Å²	31.3	67%	0.673	17%	0.168	S	C	*	.	S	Bend	trans	52.8	36.3	-179.2	-55.8	-177.2	17	0	0	113	D865	D865-Q868 PolarHBondContact O-N 3.2Å; D865-Q868 PolarHBondContact OD1-N 3.43Å; D865-Q868 WeakPolarHBondContact OD2-CA 3.22Å
869	D	81.5	Confident	87.8	Confident	28 Å²	28	33 Å²	33	15%	0.15	18%	0.175	C	C	.	.	S	Bend	trans	-118.3	9.2	-175.2	63.2	13.3	0	0	0	112.8	I679 R680 D865 L867 T871	I679-D869 WeakPolarHBondContact CG2-O 3.31Å; R680-D869 VanDerWaalsContact CD-OD2 3.23Å; R680-D869 WeakPolarHBondContact CD-OD2 3.23Å; R680-D869 IonicContact CZ-OD2 3.58Å; R680-D869 IonicContact NE-OD2 2.64Å; R680-D869 IonicContact NH1-OD1 3.9Å; R680-D869 IonicContact NH1-OD2 3Å; R680-D869 PolarHBondContact NH1-OD2 3.04Å; D865-D869 PolarHBondContact OD1-N 3.04Å; D865-D869 PolarHBondContact OD2-N 3.37Å; D865-D869 VanDerWaalsContact OD2-N 3.15Å; L867-D869 HydrophobicContact CB-CB 4.48Å; L867-D869 WeakPolarHBondContact CB-OD2 3.44Å; L867-D869 PolarHBondContact O-N 2.75Å; D869-T871 VanDerWaalsContact CG-OG1 3.31Å; D869-T871 PolarHBondContact O-N 3.31Å; D869-T871 WeakPolarHBondContact OD1-CB 3.36Å; D869-T871 VanDerWaalsContact OD1-CG2 3.25Å; D869-T871 WeakPolarHBondContact OD1-CG2 3.37Å; D869-T871 PolarHBondContact OD1-N 2.87Å; D869-T871 PolarHBondContact OD1-OG1 3.23Å; D869-T871 PolarHBondContact OD2-OG1 3.17Å
870	S	82.9	Confident	87.3	Confident	41 Å²	41	33.1 Å²	33.1	29%	0.287	17%	0.174	S	C	.	.	S	Bend	trans	66.3	14.6	-175.8	-56.3	0	0	0	0	115.4	K693 D865	K693-S870 PolarHBondContact NZ-O 2.82Å; K693-S870 VanDerWaalsContact NZ-O 3.11Å; D865-S870 VanDerWaalsContact OD2-CA 3.24Å; D865-S870 WeakPolarHBondContact OD2-CA 3.26Å; D865-S870 PolarHBondContact OD2-N 3.43Å
871	T	84.9	Confident	86	Confident	17 Å²	17	35.3 Å²	35.3	10%	0.104	18%	0.184	C	C	.	.			trans	-91.1	-6.6	175	70.6	0	0	0	0	113.5	I679 R680 F691 D869	I679-T871 HydrophobicContact CB-CG2 4.2Å; I679-T871 HydrophobicContact CG2-CG2 3.69Å; R680-T871 HydrophobicContact CB-CG2 3.92Å; R680-T871 PolarHBondContact NH1-OG1 3.4Å; F691-T871 HydrophobicContact CB-CG2 3.55Å; F691-T871 HydrophobicContact CD1-CG2 3.54Å; F691-T871 HydrophobicContact CD2-CG2 3.96Å; F691-T871 HydrophobicContact CE1-CG2 4.17Å; F691-T871 HydrophobicContact CG-CG2 3.4Å; F691-T871 VanDerWaalsContact CG-CG2 3.4Å; D869-T871 VanDerWaalsContact CG-OG1 3.31Å; D869-T871 PolarHBondContact O-N 3.31Å; D869-T871 WeakPolarHBondContact OD1-CB 3.36Å; D869-T871 VanDerWaalsContact OD1-CG2 3.25Å; D869-T871 WeakPolarHBondContact OD1-CG2 3.37Å; D869-T871 PolarHBondContact OD1-N 2.87Å; D869-T871 PolarHBondContact OD1-OG1 3.23Å; D869-T871 PolarHBondContact OD2-OG1 3.17Å
872	G	84.1	Confident	84.7	Confident	12 Å²	12	40.1 Å²	40.1	12%	0.124	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-54.9	155.5	178.1	0	0	0	0	0	115.4	R863 Y864	R863-G872 WeakPolarHBondContact CG-O 3.42Å; Y864-G872 CarbonylContact O-C 3.58Å; Y864-G872 WeakPolarHBondContact O-CA 3.32Å
873	E	85.2	Confident	83.3	Confident	101 Å²	101	44.4 Å²	44.4	47%	0.472	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.4	-177.7	-163.2	-170.8	-167.9	0	0	111.6	R863 Y864 K910	R863-E873 CarbonylContact C-O 3.57Å; R863-E873 WeakPolarHBondContact CA-O 3.49Å; Y864-E873 PolarHBondContact N-O 2.98Å; Y864-E873 PolarHBondContact O-N 2.85Å; Y864-E873 VanDerWaalsContact O-N 3.1Å; E873-K910 IonicContact OE1-NZ 2.66Å; E873-K910 PolarHBondContact OE1-NZ 2.83Å; E873-K910 IonicContact OE2-NZ 3.24Å; E873-K910 PolarHBondContact OE2-NZ 2.99Å
874	V	89.7	Confident	82.4	Confident	25 Å²	25	47.3 Å²	47.3	15%	0.152	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.4	171.3	-179.2	0	0	0	0	110.2	L608 L848 M861 C862 Y927	L608-V874 HydrophobicContact CD2-CG2 4.44Å; L848-V874 HydrophobicContact CD1-CG2 4.34Å; M861-V874 HydrophobicContact CE-CG1 3.49Å; M861-V874 VanDerWaalsContact CE-CG1 3.49Å; M861-V874 HydrophobicContact CE-CG2 4.48Å; M861-V874 HydrophobicContact CG-CG1 3.81Å; C862-V874 CarbonylContact O-C 3.44Å; C862-V874 WeakPolarHBondContact O-CA 3.28Å; V874-Y927 HydrophobicContact CG1-CD1 3.6Å; V874-Y927 HydrophobicContact CG1-CE1 4.31Å; V874-Y927 HydrophobicContact CG1-CG 3.9Å
875	V	92.1	Very high	81.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.6	-176.5	-63.1	0	0	0	0	111.1	L845 C862 V877 K910 I924	L845-V875 HydrophobicContact CD2-CG2 4.1Å; C862-V875 HydrophobicContact CB-CG2 4.2Å; C862-V875 PolarHBondContact N-O 3.46Å; C862-V875 PolarHBondContact O-N 2.93Å; V875-V877 HydrophobicContact CG2-CG2 3.89Å; V875-K910 HydrophobicContact CG1-CD 3.9Å; V875-I924 HydrophobicContact CB-CG2 3.71Å; V875-I924 HydrophobicContact CG1-CG2 3.94Å; V875-I924 HydrophobicContact CG2-CG2 3.85Å
876	A	93.3	Very high	80.8	Confident	8 Å²	8	51.6 Å²	51.6	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.5	167.3	0	0	0	0	0	109.2	L851 V859 E860 M925	L851-A876 HydrophobicContact CD1-CB 4.31Å; V859-A876 HydrophobicContact CG1-CB 4.3Å; E860-A876 CarbonylContact O-C 3.22Å; E860-A876 WeakPolarHBondContact O-CA 3.35Å; A876-M925 HydrophobicContact CB-CB 4.37Å; A876-M925 HydrophobicContact CB-CE 4.42Å; A876-M925 PolarHBondContact N-O 2.94Å; A876-M925 PolarHBondContact O-N 3.39Å
877	V	92.1	Very high	80.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.8	-177.2	-177.5	0	0	0	0	108.8	L845 V859 E860 C862 V875 K879 R922 L923 I924	L845-V877 HydrophobicContact CD2-CG2 4.19Å; V859-V877 WeakPolarHBondContact CA-O 3.27Å; E860-V877 PolarHBondContact N-O 2.94Å; E860-V877 PolarHBondContact O-N 3.01Å; C862-V877 HydrophobicContact CB-CG2 3.72Å; V875-V877 HydrophobicContact CG2-CG2 3.89Å; V877-K879 HydrophobicContact CG1-CG 4.12Å; V877-R922 HydrophobicContact CG1-CB 3.95Å; V877-R922 HydrophobicContact CG1-CG 4.49Å; V877-L923 WeakPolarHBondContact CA-O 3.32Å; V877-I924 HydrophobicContact CB-CD1 4.25Å; V877-I924 HydrophobicContact CG1-CD1 3.86Å; V877-I924 HydrophobicContact CG2-CD1 3.71Å
878	K	90.4	Very high	80.2	Confident	13 Å²	13	50 Å²	50	6%	0.057	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.7	173.2	-172.9	171.9	178	-172.6	0	109.5	S858 V859 F891 E894 R922 L923 M925 D990	S858-K878 WeakPolarHBondContact O-CA 3.26Å; V859-K878 HydrophobicContact CG2-CB 4.21Å; V859-K878 HydrophobicContact CG2-CD 4.43Å; V859-K878 HydrophobicContact CG2-CG 4.06Å; K878-F891 HydrophobicContact CB-CZ 4.47Å; K878-F891 HydrophobicContact CD-CE2 4.1Å; K878-F891 HydrophobicContact CG-CE2 3.99Å; K878-F891 HydrophobicContact CG-CZ 4.34Å; K878-E894 IonicContact NZ-OE1 2.79Å; K878-E894 PolarHBondContact NZ-OE1 2.98Å; K878-E894 IonicContact NZ-OE2 2.79Å; K878-E894 PolarHBondContact NZ-OE2 3.37Å; K878-R922 WeakPolarHBondContact O-CA 3.37Å; K878-L923 HydrophobicContact CB-CB 4.31Å; K878-L923 PolarHBondContact N-O 3.43Å; K878-L923 PolarHBondContact O-N 3.28Å; K878-M925 HydrophobicContact CB-CE 3.85Å; K878-D990 IonicContact NZ-OD1 3.04Å; K878-D990 PolarHBondContact NZ-OD1 3.08Å
879	K	85.6	Confident	80.1	Confident	38 Å²	38	49.1 Å²	49.1	17%	0.165	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.2	179.7	-54.7	-178	-174	167.3	0	110	G857 S858 E860 V877 R922	G857-K879 CarbonylContact C-O 3.53Å; G857-K879 WeakPolarHBondContact CA-O 3.29Å; S858-K879 PolarHBondContact N-O 3.28Å; S858-K879 PolarHBondContact O-N 3.48Å; E860-K879 VanDerWaalsContact CD-CE 3.41Å; E860-K879 WeakPolarHBondContact OE1-CE 3.3Å; E860-K879 IonicContact OE1-NZ 2.84Å; E860-K879 PolarHBondContact OE1-NZ 2.95Å; E860-K879 WeakPolarHBondContact OE2-CE 3.32Å; E860-K879 IonicContact OE2-NZ 2.72Å; E860-K879 PolarHBondContact OE2-NZ 2.85Å; V877-K879 HydrophobicContact CG1-CG 4.12Å; K879-R922 VanDerWaalsContact CE-CZ 3.49Å; K879-R922 HydrophobicContact CG-CG 4.06Å
880	L	77.9	Confident	80	Confident	40 Å²	40	49.9 Å²	49.9	21%	0.209	27%	0.268	C	S	.	.			trans	-73.3	135.3	169.8	-83.2	159.9	0	0	0	110.9	H887 L888 F891	L880-H887 HydrophobicContact CD2-CB 4.07Å; L880-L888 HydrophobicContact CD1-CD2 3.79Å; L880-L888 HydrophobicContact CD1-CG 4.43Å; L880-F891 HydrophobicContact CD1-CB 3.49Å; L880-F891 VanDerWaalsContact CD1-CB 3.49Å; L880-F891 HydrophobicContact CD1-CD1 3.55Å; L880-F891 HydrophobicContact CD1-CD2 4.45Å; L880-F891 HydrophobicContact CD1-CE1 4.38Å; L880-F891 HydrophobicContact CD1-CG 3.59Å; L880-F891 HydrophobicContact CD2-CB 4.26Å; L880-F891 HydrophobicContact CD2-CG 4.43Å; L880-F891 HydrophobicContact CG-CB 4.02Å; L880-F891 HydrophobicContact CG-CD1 3.98Å; L880-F891 HydrophobicContact CG-CD2 4.2Å; L880-F891 HydrophobicContact CG-CE1 4.49Å; L880-F891 HydrophobicContact CG-CG 3.82Å
881	Q	65.3	Low	80.1	Confident	51 Å²	51	48.2 Å²	48.2	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-88	-26	177.5	-163.9	170.7	-14.9	0	0	112.7	Y567 K853 G854	Y567-Q881 PolarHBondContact OH-O 2.98Å; K853-Q881 VanDerWaalsContact CE-NE2 3.31Å; G854-Q881 PolarHBondContact O-OE1 3.34Å
882	H	64.1	Low	80.1	Confident	111 Å²	111	52 Å²	52	51%	0.514	27%	0.272	S	S	.	.	S	Bend	trans	-130.9	119.8	-179.8	-61.5	-63.9	0	0	0	111.4	T884 H887	H882-T884 PolarHBondContact O-N 3.43Å; H882-H887 PolarHBondContact O-ND1 3.01Å
883	S	61.9	Low	80.2	Confident	91 Å²	91	55.7 Å²	55.7	64%	0.636	28%	0.282	S	S	*	.			trans	-95.8	64.5	-175.3	61	0	0	0	0	112.7
884	T	71.4	Confident	80.4	Confident	66 Å²	66	51.3 Å²	51.3	41%	0.405	26%	0.262	S	S	.	.			trans	-76.6	153.4	159.8	67.8	0	0	0	0	108.6	H882 E886 H887 L888	H882-T884 PolarHBondContact O-N 3.43Å; T884-E886 PolarHBondContact O-N 2.81Å; T884-E886 VanDerWaalsContact O-N 3.15Å; T884-H887 PolarHBondContact O-N 2.9Å; T884-H887 PolarHBondContact OG1-N 2.93Å; T884-H887 VanDerWaalsContact OG1-N 3.16Å; T884-H887 PolarHBondContact OG1-ND1 2.99Å; T884-L888 PolarHBondContact O-N 3.39Å; T884-L888 VanDerWaalsContact O-N 3.12Å
885	A	73.7	Confident	80.3	Confident	65 Å²	65	50.4 Å²	50.4	54%	0.537	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-25.3	176.8	0	0	0	0	0	112.5	R889	A885-R889 WeakPolarHBondContact O-CG 3.47Å; A885-R889 PolarHBondContact O-N 2.82Å; A885-R889 PolarHBondContact O-NH1 3Å
886	E	71.9	Confident	80.2	Confident	73 Å²	73	55.7 Å²	55.7	34%	0.341	28%	0.28	S	S	.	.	H	α-helix	trans	-76.6	-47.7	178.3	-168.5	177.8	162.1	0	0	112.4	T884 L888 R889 D890 E1008	T884-E886 PolarHBondContact O-N 2.81Å; T884-E886 VanDerWaalsContact O-N 3.15Å; E886-L888 PolarHBondContact O-N 3.47Å; E886-R889 PolarHBondContact O-N 2.8Å; E886-R889 VanDerWaalsContact O-N 3.12Å; E886-D890 PolarHBondContact O-N 3.04Å; E886-E1008 VanDerWaalsContact OE1-CD 3.24Å
887	H	75.5	Confident	79.9	Confident	80 Å²	80	55.5 Å²	55.5	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-34.9	174.9	-63	160.3	0	0	0	112.2	L880 H882 T884 D890 F891	L880-H887 HydrophobicContact CD2-CB 4.07Å; H882-H887 PolarHBondContact O-ND1 3.01Å; T884-H887 PolarHBondContact O-N 2.9Å; T884-H887 PolarHBondContact OG1-N 2.93Å; T884-H887 VanDerWaalsContact OG1-N 3.16Å; T884-H887 PolarHBondContact OG1-ND1 2.99Å; H887-D890 PolarHBondContact O-N 2.85Å; H887-F891 WeakPolarHBondContact O-CB 3.37Å; H887-F891 PolarHBondContact O-N 3.34Å
888	L	78.6	Confident	79.8	Confident	45 Å²	45	55.5 Å²	55.5	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-46.1	173.6	-75.8	167.5	0	0	0	111.9	L880 T884 E886 D890 F891 E892	L880-L888 HydrophobicContact CD1-CD2 3.79Å; L880-L888 HydrophobicContact CD1-CG 4.43Å; T884-L888 PolarHBondContact O-N 3.39Å; T884-L888 VanDerWaalsContact O-N 3.12Å; E886-L888 PolarHBondContact O-N 3.47Å; L888-D890 VanDerWaalsContact C-N 3.33Å; L888-D890 PolarHBondContact O-N 3.45Å; L888-F891 PolarHBondContact O-N 2.88Å; L888-E892 WeakPolarHBondContact O-CG 3.43Å; L888-E892 PolarHBondContact O-N 2.83Å
889	R	81	Confident	79.7	Confident	127 Å²	127	58 Å²	58	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-38.9	176.8	-74.4	-172.2	-56.2	-92.4	4.8	112.5	A885 E886 F891 R893	A885-R889 WeakPolarHBondContact O-CG 3.47Å; A885-R889 PolarHBondContact O-N 2.82Å; A885-R889 PolarHBondContact O-NH1 3Å; E886-R889 PolarHBondContact O-N 2.8Å; E886-R889 VanDerWaalsContact O-N 3.12Å; R889-F891 VanDerWaalsContact C-N 3.34Å; R889-R893 WeakPolarHBondContact O-CB 3.37Å; R889-R893 PolarHBondContact O-N 3.48Å
890	D	79.3	Confident	79.7	Confident	43 Å²	43	58.4 Å²	58.4	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-37.3	177.5	-82.2	-4.6	0	0	0	111.7	E886 H887 L888 R893 E894 K995	E886-D890 PolarHBondContact O-N 3.04Å; H887-D890 PolarHBondContact O-N 2.85Å; L888-D890 VanDerWaalsContact C-N 3.33Å; L888-D890 PolarHBondContact O-N 3.45Å; D890-R893 WeakPolarHBondContact O-CB 3.42Å; D890-R893 PolarHBondContact O-N 2.85Å; D890-R893 IonicContact OD1-CZ 2.6Å; D890-R893 IonicContact OD1-NH1 2.68Å; D890-R893 PolarHBondContact OD1-NH1 2.93Å; D890-R893 IonicContact OD1-NH2 2.76Å; D890-R893 PolarHBondContact OD1-NH2 2.95Å; D890-E894 PolarHBondContact O-N 3.12Å; D890-K995 IonicContact OD1-NZ 2.72Å
891	F	83.8	Confident	80.1	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-71.7	-39.1	174.9	-167.5	-120	0	0	0	113.3	K878 L880 H887 L888 R889 R893 E894 I895 L921 L923	K878-F891 HydrophobicContact CB-CZ 4.47Å; K878-F891 HydrophobicContact CD-CE2 4.1Å; K878-F891 HydrophobicContact CG-CE2 3.99Å; K878-F891 HydrophobicContact CG-CZ 4.34Å; L880-F891 HydrophobicContact CD1-CB 3.49Å; L880-F891 VanDerWaalsContact CD1-CB 3.49Å; L880-F891 HydrophobicContact CD1-CD1 3.55Å; L880-F891 HydrophobicContact CD1-CD2 4.45Å; L880-F891 HydrophobicContact CD1-CE1 4.38Å; L880-F891 HydrophobicContact CD1-CG 3.59Å; L880-F891 HydrophobicContact CD2-CB 4.26Å; L880-F891 HydrophobicContact CD2-CG 4.43Å; L880-F891 HydrophobicContact CG-CB 4.02Å; L880-F891 HydrophobicContact CG-CD1 3.98Å; L880-F891 HydrophobicContact CG-CD2 4.2Å; L880-F891 HydrophobicContact CG-CE1 4.49Å; L880-F891 HydrophobicContact CG-CG 3.82Å; H887-F891 WeakPolarHBondContact O-CB 3.37Å; H887-F891 PolarHBondContact O-N 3.34Å; L888-F891 PolarHBondContact O-N 2.88Å; R889-F891 VanDerWaalsContact C-N 3.34Å; F891-R893 PolarHBondContact O-N 3Å; F891-E894 WeakPolarHBondContact CD2-OE2 3.43Å; F891-E894 WeakPolarHBondContact O-CB 3.47Å; F891-E894 PolarHBondContact O-N 3.24Å; F891-I895 HydrophobicContact CD1-CD1 3.91Å; F891-I895 HydrophobicContact CE1-CD1 3.87Å; F891-I895 HydrophobicContact CZ-CD1 4.43Å; F891-I895 WeakPolarHBondContact O-CD1 3.44Å; F891-I895 VanDerWaalsContact O-CG1 3.32Å; F891-I895 WeakPolarHBondContact O-CG1 3.29Å; F891-I895 PolarHBondContact O-N 3Å; F891-L921 HydrophobicContact CD1-CB 4.33Å; F891-L921 HydrophobicContact CD1-CD2 4.08Å; F891-L921 HydrophobicContact CD1-CG 4.03Å; F891-L921 HydrophobicContact CE1-CB 4.4Å; F891-L921 HydrophobicContact CE1-CG 4.03Å; F891-L921 WeakPolarHBondContact CE1-O 3.32Å; F891-L923 HydrophobicContact CE1-CB 4.32Å; F891-L923 HydrophobicContact CE2-CB 4.17Å; F891-L923 HydrophobicContact CZ-CB 3.59Å
892	E	86.1	Confident	81	Confident	96 Å²	96	61.2 Å²	61.2	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-40.3	169.3	-75.6	174.2	164.2	0	0	111	L888 I895 E896 L921	L888-E892 WeakPolarHBondContact O-CG 3.43Å; L888-E892 PolarHBondContact O-N 2.83Å; E892-I895 WeakPolarHBondContact O-CB 3.35Å; E892-I895 PolarHBondContact O-N 3.15Å; E892-E896 WeakPolarHBondContact O-CG 3.47Å; E892-E896 PolarHBondContact O-N 2.99Å; E892-L921 HydrophobicContact CG-CD2 3.59Å
893	R	85.8	Confident	82	Confident	91 Å²	91	58.6 Å²	58.6	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-43.1	174.5	-162.8	-173.7	-54.6	112.1	2.9	111.9	R889 D890 F891 I895 E896 I897	R889-R893 WeakPolarHBondContact O-CB 3.37Å; R889-R893 PolarHBondContact O-N 3.48Å; D890-R893 WeakPolarHBondContact O-CB 3.42Å; D890-R893 PolarHBondContact O-N 2.85Å; D890-R893 IonicContact OD1-CZ 2.6Å; D890-R893 IonicContact OD1-NH1 2.68Å; D890-R893 PolarHBondContact OD1-NH1 2.93Å; D890-R893 IonicContact OD1-NH2 2.76Å; D890-R893 PolarHBondContact OD1-NH2 2.95Å; F891-R893 PolarHBondContact O-N 3Å; R893-I895 VanDerWaalsContact C-N 3.26Å; R893-I895 PolarHBondContact O-N 3.5Å; R893-E896 PolarHBondContact O-N 3.15Å; R893-I897 HydrophobicContact CG-CD1 4Å; R893-I897 HydrophobicContact CG-CG1 4.41Å; R893-I897 WeakPolarHBondContact O-CB 3.19Å; R893-I897 WeakPolarHBondContact O-CG1 3.47Å; R893-I897 PolarHBondContact O-N 3.25Å
894	E	88.4	Confident	83.1	Confident	9 Å²	9	58.8 Å²	58.8	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-55.2	-45	174.6	178.7	176.4	-173.5	0	0	111.1	K878 D890 F891 I897 L898 L923 F991 G992	K878-E894 IonicContact NZ-OE1 2.79Å; K878-E894 PolarHBondContact NZ-OE1 2.98Å; K878-E894 IonicContact NZ-OE2 2.79Å; K878-E894 PolarHBondContact NZ-OE2 3.37Å; D890-E894 PolarHBondContact O-N 3.12Å; F891-E894 WeakPolarHBondContact CD2-OE2 3.43Å; F891-E894 WeakPolarHBondContact O-CB 3.47Å; F891-E894 PolarHBondContact O-N 3.24Å; E894-I897 PolarHBondContact O-N 3.04Å; E894-L898 WeakPolarHBondContact O-CB 3.24Å; E894-L898 PolarHBondContact O-N 3.43Å; E894-L923 HydrophobicContact CG-CD2 4.44Å; E894-F991 HydrophobicContact CG-CB 3.85Å; E894-F991 PolarHBondContact OE1-N 3.31Å; E894-G992 PolarHBondContact OE1-N 3.45Å; E894-G992 WeakPolarHBondContact OE2-CA 3.47Å
895	I	88.8	Confident	84.3	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-51	177.4	-72	162.3	0	0	0	111.1	F891 E892 R893 I897 L898 K899 Y909 V912 L921 L923	F891-I895 HydrophobicContact CD1-CD1 3.91Å; F891-I895 HydrophobicContact CE1-CD1 3.87Å; F891-I895 HydrophobicContact CZ-CD1 4.43Å; F891-I895 WeakPolarHBondContact O-CD1 3.44Å; F891-I895 VanDerWaalsContact O-CG1 3.32Å; F891-I895 WeakPolarHBondContact O-CG1 3.29Å; F891-I895 PolarHBondContact O-N 3Å; E892-I895 WeakPolarHBondContact O-CB 3.35Å; E892-I895 PolarHBondContact O-N 3.15Å; R893-I895 VanDerWaalsContact C-N 3.26Å; R893-I895 PolarHBondContact O-N 3.5Å; I895-I897 VanDerWaalsContact C-N 3.3Å; I895-I897 PolarHBondContact O-N 3.08Å; I895-L898 PolarHBondContact O-N 3.2Å; I895-K899 WeakPolarHBondContact O-CB 3.42Å; I895-K899 PolarHBondContact O-N 3.46Å; I895-Y909 HydrophobicContact CG2-CE2 4.16Å; I895-V912 HydrophobicContact CB-CG1 4.49Å; I895-V912 HydrophobicContact CD1-CG1 3.87Å; I895-V912 HydrophobicContact CG1-CG1 4.18Å; I895-V912 HydrophobicContact CG2-CG1 3.51Å; I895-L921 HydrophobicContact CD1-CD1 4.02Å; I895-L921 HydrophobicContact CD1-CD2 3.4Å; I895-L921 VanDerWaalsContact CD1-CD2 3.4Å; I895-L921 HydrophobicContact CD1-CG 3.62Å; I895-L923 HydrophobicContact CD1-CB 4.35Å; I895-L923 HydrophobicContact CG1-CB 3.99Å; I895-L923 HydrophobicContact CG1-CD1 4.1Å; I895-L923 HydrophobicContact CG1-CD2 4.27Å; I895-L923 HydrophobicContact CG1-CG 4.33Å
896	E	88.8	Confident	85.3	Confident	110 Å²	110	52.9 Å²	52.9	51%	0.514	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-36.3	-179	-72.3	-56	130.2	0	0	112.3	E892 R893 S900	E892-E896 WeakPolarHBondContact O-CG 3.47Å; E892-E896 PolarHBondContact O-N 2.99Å; R893-E896 PolarHBondContact O-N 3.15Å; E896-S900 PolarHBondContact O-N 3.03Å
897	I	88.5	Confident	86.3	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-60.5	171.7	-68.2	168.1	0	0	0	108.8	R893 E894 I895 K899 S900 L901 Y968 F991 T994	R893-I897 HydrophobicContact CG-CD1 4Å; R893-I897 HydrophobicContact CG-CG1 4.41Å; R893-I897 WeakPolarHBondContact O-CB 3.19Å; R893-I897 WeakPolarHBondContact O-CG1 3.47Å; R893-I897 PolarHBondContact O-N 3.25Å; E894-I897 PolarHBondContact O-N 3.04Å; I895-I897 VanDerWaalsContact C-N 3.3Å; I895-I897 PolarHBondContact O-N 3.08Å; I897-K899 VanDerWaalsContact C-N 3.29Å; I897-K899 PolarHBondContact O-N 3.31Å; I897-S900 PolarHBondContact O-N 3.49Å; I897-S900 PolarHBondContact O-OG 2.58Å; I897-L901 HydrophobicContact CG2-CD1 3.92Å; I897-L901 WeakPolarHBondContact O-CG 3.4Å; I897-L901 PolarHBondContact O-N 3.39Å; I897-Y968 HydrophobicContact CB-CE1 4.32Å; I897-Y968 HydrophobicContact CD1-CD1 4.49Å; I897-Y968 HydrophobicContact CD1-CE1 4.4Å; I897-Y968 HydrophobicContact CG1-CD1 4.23Å; I897-Y968 HydrophobicContact CG1-CE1 3.73Å; I897-Y968 HydrophobicContact CG2-CD1 4.05Å; I897-Y968 HydrophobicContact CG2-CE1 3.98Å; I897-F991 HydrophobicContact CG2-CD1 3.97Å; I897-T994 HydrophobicContact CD1-CG2 3.95Å; I897-T994 HydrophobicContact CG2-CG2 3.98Å
898	L	89.6	Confident	87	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-37.6	-173.6	-168.3	59.6	0	0	0	112.8	E894 I895 S900 L901 I906 V907 L923 M925 F991	E894-L898 WeakPolarHBondContact O-CB 3.24Å; E894-L898 PolarHBondContact O-N 3.43Å; I895-L898 PolarHBondContact O-N 3.2Å; L898-S900 PolarHBondContact O-N 3.02Å; L898-L901 HydrophobicContact CD1-CD1 4.42Å; L898-L901 PolarHBondContact O-N 2.8Å; L898-L901 VanDerWaalsContact O-N 3.15Å; L898-I906 HydrophobicContact CD1-CG2 4.09Å; L898-V907 WeakPolarHBondContact CD1-O 3.3Å; L898-L923 HydrophobicContact CD2-CD1 4.36Å; L898-L923 HydrophobicContact CD2-CD2 4.07Å; L898-M925 HydrophobicContact CD2-CG 3.97Å; L898-M925 HydrophobicContact CD2-SD 3.9Å; L898-F991 HydrophobicContact CD1-CD2 3.62Å; L898-F991 HydrophobicContact CD1-CE2 3.48Å; L898-F991 VanDerWaalsContact CD1-CE2 3.48Å; L898-F991 HydrophobicContact CD1-CG 4.37Å; L898-F991 HydrophobicContact CD1-CZ 4.16Å
899	K	87.4	Confident	87.5	Confident	64 Å²	64	51.5 Å²	51.5	28%	0.278	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-33.4	175.2	-179.9	-177.5	171	-164	0	112.9	I895 I897 L901 H902 Y909	I895-K899 WeakPolarHBondContact O-CB 3.42Å; I895-K899 PolarHBondContact O-N 3.46Å; I897-K899 VanDerWaalsContact C-N 3.29Å; I897-K899 PolarHBondContact O-N 3.31Å; K899-L901 VanDerWaalsContact C-N 3.34Å; K899-H902 PolarHBondContact O-CE1 2.89Å; K899-Y909 HydrophobicContact CB-CD1 4.11Å; K899-Y909 HydrophobicContact CB-CD2 4.2Å; K899-Y909 HydrophobicContact CB-CE1 4.15Å; K899-Y909 HydrophobicContact CB-CE2 4.26Å; K899-Y909 HydrophobicContact CB-CG 4.12Å; K899-Y909 HydrophobicContact CD-CE1 4.29Å; K899-Y909 HydrophobicContact CG-CD1 4.05Å; K899-Y909 HydrophobicContact CG-CE1 3.83Å
900	S	85.9	Confident	87.9	Confident	47 Å²	47	47.7 Å²	47.7	33%	0.329	22%	0.221	S	C	.	.	H	α-helix	trans	-81	-11.4	179.4	75.2	0	0	0	0	114.1	E896 I897 L898 H902 Y968	E896-S900 PolarHBondContact O-N 3.03Å; I897-S900 PolarHBondContact O-N 3.49Å; I897-S900 PolarHBondContact O-OG 2.58Å; L898-S900 PolarHBondContact O-N 3.02Å; S900-H902 PolarHBondContact O-ND1 3.41Å; S900-Y968 PolarHBondContact OG-OH 2.94Å
901	L	85.9	Confident	88.4	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.037	21%	0.21	C	C	.	.			trans	-96.3	126.4	-172.2	-60.5	174.7	0	0	0	111.6	I897 L898 K899 I906 Y962 L963 Y968 F991	I897-L901 HydrophobicContact CG2-CD1 3.92Å; I897-L901 WeakPolarHBondContact O-CG 3.4Å; I897-L901 PolarHBondContact O-N 3.39Å; L898-L901 HydrophobicContact CD1-CD1 4.42Å; L898-L901 PolarHBondContact O-N 2.8Å; L898-L901 VanDerWaalsContact O-N 3.15Å; K899-L901 VanDerWaalsContact C-N 3.34Å; L901-I906 HydrophobicContact CB-CD1 4.4Å; L901-I906 HydrophobicContact CB-CG2 4.2Å; L901-I906 HydrophobicContact CD1-CD1 4.4Å; L901-I906 HydrophobicContact CD1-CG2 4.32Å; L901-Y962 HydrophobicContact CB-CE1 4.35Å; L901-Y962 HydrophobicContact CD2-CE1 3.81Å; L901-L963 HydrophobicContact CD1-CD2 3.58Å; L901-L963 HydrophobicContact CD2-CD2 3.63Å; L901-L963 HydrophobicContact CG-CD2 4.24Å; L901-Y968 HydrophobicContact CD2-CD2 3.8Å; L901-Y968 HydrophobicContact CD2-CE2 3.78Å; L901-F991 HydrophobicContact CD1-CD1 3.93Å; L901-F991 HydrophobicContact CD1-CE1 3.4Å; L901-F991 HydrophobicContact CD1-CZ 3.8Å
902	H	83.6	Confident	88.7	Confident	143 Å²	143	46.1 Å²	46.1	66%	0.662	21%	0.213	S	C	*	.			trans	-134.6	96.2	179.2	-62.4	87.6	0	0	0	109.3	K899 S900 Y962	K899-H902 PolarHBondContact O-CE1 2.89Å; S900-H902 PolarHBondContact O-ND1 3.41Å; H902-Y962 PolarHBondContact N-OH 2.86Å; H902-Y962 PolarHBondContact O-OH 3.02Å
903	H	85.6	Confident	88.8	Confident	56 Å²	56	41.5 Å²	41.5	26%	0.259	19%	0.192	S	C	.	.			trans	-155	145.5	-179.5	-172.5	-96.4	0	0	0	110.9	N905 I906 Y962	H903-N905 PolarHBondContact CE1-OD1 2.98Å; H903-N905 PolarHBondContact ND1-N 3.18Å; H903-N905 PolarHBondContact O-N 2.84Å; H903-I906 HydrophobicContact CB-CB 4.26Å; H903-I906 HydrophobicContact CB-CD1 3.89Å; H903-I906 HydrophobicContact CB-CG1 4.05Å; H903-I906 PolarHBondContact O-N 3Å; H903-I906 VanDerWaalsContact O-N 3.13Å; H903-Y962 HydrophobicContact CB-CD1 3.82Å; H903-Y962 HydrophobicContact CB-CD2 4.34Å; H903-Y962 HydrophobicContact CB-CE1 3.95Å; H903-Y962 HydrophobicContact CB-CE2 4.46Å; H903-Y962 HydrophobicContact CB-CG 4.01Å; H903-Y962 AromaticContact CD2-CD2 3.93Å; H903-Y962 AromaticContact CD2-CG 3.84Å
904	E	85.6	Confident	88.6	Confident	96 Å²	96	41.4 Å²	41.4	45%	0.449	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.8	-176.2	-60.6	-172.2	156.1	0	0	114	S516 R985 K987	S516-E904 PolarHBondContact OG-OE2 2.96Å; E904-R985 VanDerWaalsContact CB-NH1 3.3Å; E904-R985 IonicContact OE2-CZ 2.67Å; E904-R985 IonicContact OE2-NH1 3.82Å; E904-R985 PolarHBondContact OE2-NH1 2.81Å; E904-R985 IonicContact OE2-NH2 3.38Å; E904-R985 PolarHBondContact OE2-NH2 2.84Å; E904-K987 WeakPolarHBondContact O-CE 3.2Å
905	N	95.8	Very high	87.8	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.027	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	23.9	177.9	-54	115.3	0	0	0	113.2	H903 Q955 V986 K987 I988	H903-N905 PolarHBondContact CE1-OD1 2.98Å; H903-N905 PolarHBondContact ND1-N 3.18Å; H903-N905 PolarHBondContact O-N 2.84Å; N905-Q955 WeakPolarHBondContact CB-O 3.48Å; N905-Q955 WeakPolarHBondContact ND2-CB 3.46Å; N905-Q955 PolarHBondContact OD1-O 2.79Å; N905-V986 PolarHBondContact ND2-O 3.04Å; N905-K987 CarbonylContact O-C 3.52Å; N905-K987 WeakPolarHBondContact O-CA 3.37Å; N905-I988 WeakPolarHBondContact O-CG1 3.32Å; N905-I988 PolarHBondContact O-N 2.8Å
906	I	94.7	Very high	86.3	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-127.7	138.9	173.2	-65.3	178.2	0	0	0	108.7	L898 L901 H903 K908 Y962 L963 F991	L898-I906 HydrophobicContact CD1-CG2 4.09Å; L901-I906 HydrophobicContact CB-CD1 4.4Å; L901-I906 HydrophobicContact CB-CG2 4.2Å; L901-I906 HydrophobicContact CD1-CD1 4.4Å; L901-I906 HydrophobicContact CD1-CG2 4.32Å; H903-I906 HydrophobicContact CB-CB 4.26Å; H903-I906 HydrophobicContact CB-CD1 3.89Å; H903-I906 HydrophobicContact CB-CG1 4.05Å; H903-I906 PolarHBondContact O-N 3Å; H903-I906 VanDerWaalsContact O-N 3.13Å; I906-K908 PolarHBondContact O-N 3.24Å; I906-Y962 HydrophobicContact CD1-CD1 3.55Å; I906-Y962 HydrophobicContact CD1-CE1 3.9Å; I906-L963 HydrophobicContact CD1-CD1 4.5Å; I906-L963 HydrophobicContact CD1-CD2 3.78Å; I906-L963 HydrophobicContact CD1-CG 3.94Å; I906-F991 HydrophobicContact CG2-CE2 4.05Å; I906-F991 HydrophobicContact CG2-CZ 3.7Å
907	V	93.3	Very high	84.7	Confident	4 Å²	4	44 Å²	44	2%	0.024	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.9	130.2	177.6	174.5	0	0	0	0	110.4	L898 Y909 M925 E926 L928 L979 K987 I988	L898-V907 WeakPolarHBondContact CD1-O 3.3Å; V907-Y909 PolarHBondContact O-N 3.12Å; V907-M925 HydrophobicContact CG1-CB 4.03Å; V907-M925 HydrophobicContact CG1-CG 4.38Å; V907-M925 HydrophobicContact CG1-SD 4.22Å; V907-E926 HydrophobicContact CG1-CG 4.07Å; V907-L928 HydrophobicContact CG2-CD1 4.22Å; V907-L979 HydrophobicContact CG2-CD1 3.74Å; V907-L979 HydrophobicContact CG2-CG 4.41Å; V907-K987 HydrophobicContact CG2-CB 4.09Å; V907-I988 WeakPolarHBondContact CG2-O 3.35Å; V907-I988 PolarHBondContact N-O 3.42Å
908	K	90.1	Very high	83.3	Confident	120 Å²	120	54 Å²	54	52%	0.522	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-72.7	125.6	-178.8	-66.8	176.2	179.3	178.1	0	111.9	I906 M925 E926	I906-K908 PolarHBondContact O-N 3.24Å; K908-M925 WeakPolarHBondContact O-CA 3.33Å; K908-E926 HydrophobicContact CB-CB 4.28Å; K908-E926 HydrophobicContact CB-CG 3.97Å; K908-E926 WeakPolarHBondContact CB-OE1 3.37Å; K908-E926 WeakPolarHBondContact CG-OE1 3.23Å; K908-E926 PolarHBondContact N-OE1 2.99Å; K908-E926 PolarHBondContact O-N 3.34Å; K908-E926 VanDerWaalsContact O-N 3.13Å
909	Y	90.3	Very high	81.7	Confident	44 Å²	44	63.4 Å²	63.4	17%	0.173	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.7	162	174.5	-99.8	0	0	0	110.2	I895 K899 V907 G911 V912 L923	I895-Y909 HydrophobicContact CG2-CE2 4.16Å; K899-Y909 HydrophobicContact CB-CD1 4.11Å; K899-Y909 HydrophobicContact CB-CD2 4.2Å; K899-Y909 HydrophobicContact CB-CE1 4.15Å; K899-Y909 HydrophobicContact CB-CE2 4.26Å; K899-Y909 HydrophobicContact CB-CG 4.12Å; K899-Y909 HydrophobicContact CD-CE1 4.29Å; K899-Y909 HydrophobicContact CG-CD1 4.05Å; K899-Y909 HydrophobicContact CG-CE1 3.83Å; V907-Y909 PolarHBondContact O-N 3.12Å; Y909-G911 WeakPolarHBondContact CE2-O 3.24Å; Y909-G911 VanDerWaalsContact OH-CA 3.32Å; Y909-G911 WeakPolarHBondContact OH-CA 3.33Å; Y909-V912 HydrophobicContact CE2-CG1 4.19Å; Y909-L923 HydrophobicContact CD2-CD1 3.65Å; Y909-L923 HydrophobicContact CE2-CD1 3.82Å
910	K	88.1	Confident	81.1	Confident	47 Å²	47	64.4 Å²	64.4	20%	0.204	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-37.7	171.8	-71.5	-169.5	167.7	-174.2	0	113	F840 E873 V875 I924	F840-K910 HydrophobicContact CE2-CB 4.29Å; F840-K910 WeakPolarHBondContact CE2-O 3.26Å; F840-K910 HydrophobicContact CZ-CB 4.14Å; E873-K910 IonicContact OE1-NZ 2.66Å; E873-K910 PolarHBondContact OE1-NZ 2.83Å; E873-K910 IonicContact OE2-NZ 3.24Å; E873-K910 PolarHBondContact OE2-NZ 2.99Å; V875-K910 HydrophobicContact CG1-CD 3.9Å; K910-I924 HydrophobicContact CB-CB 4.4Å; K910-I924 HydrophobicContact CB-CG2 4.13Å; K910-I924 WeakPolarHBondContact CB-O 3.32Å; K910-I924 PolarHBondContact N-O 3.44Å
911	G	89.9	Confident	81	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-171	-176	0	0	0	0	0	113.3	A838 Y909 I924	A838-G911 WeakPolarHBondContact O-CA 3.31Å; Y909-G911 WeakPolarHBondContact CE2-O 3.24Å; Y909-G911 VanDerWaalsContact OH-CA 3.32Å; Y909-G911 WeakPolarHBondContact OH-CA 3.33Å; G911-I924 PolarHBondContact N-O 2.9Å; G911-I924 WeakPolarHBondContact O-CB 3.5Å; G911-I924 PolarHBondContact O-N 3.05Å
912	V	90.2	Very high	81.2	Confident	16 Å²	16	64.2 Å²	64.2	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.1	173.9	-69	0	0	0	0	110.8	F840 I895 Y909 Y914 L921 R922	F840-V912 PolarHBondContact N-O 3.1Å; I895-V912 HydrophobicContact CB-CG1 4.49Å; I895-V912 HydrophobicContact CD1-CG1 3.87Å; I895-V912 HydrophobicContact CG1-CG1 4.18Å; I895-V912 HydrophobicContact CG2-CG1 3.51Å; Y909-V912 HydrophobicContact CE2-CG1 4.19Å; V912-Y914 HydrophobicContact CG2-CE2 3.87Å; V912-L921 HydrophobicContact CB-CD1 3.97Å; V912-L921 HydrophobicContact CG1-CD1 4.21Å; V912-R922 CarbonylContact C-O 3.56Å; V912-R922 VanDerWaalsContact CA-O 3.3Å; V912-R922 WeakPolarHBondContact CA-O 3.33Å
913	C	87.7	Confident	81.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.6	174.8	171.1	0	0	0	0	110.2	F840 E842 L845 R922 I924	F840-C913 HydrophobicContact CB-CB 3.89Å; F840-C913 WeakPolarHBondContact O-CA 3.45Å; E842-C913 WeakPolarHBondContact CA-SG 3.37Å; E842-C913 VanDerWaalsContact CB-SG 3.58Å; E842-C913 PolarHBondContact N-SG 2.82Å; L845-C913 HydrophobicContact CD1-CB 3.95Å; C913-R922 HydrophobicContact CB-CB 4.15Å; C913-R922 PolarHBondContact N-O 3.34Å; C913-R922 PolarHBondContact O-N 2.8Å; C913-I924 HydrophobicContact CB-CD1 4.15Å; C913-I924 HydrophobicContact CB-CG1 4.44Å
914	Y	82.6	Confident	81.8	Confident	89 Å²	89	54.7 Å²	54.7	35%	0.349	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.1	174.3	-62.6	-88.9	0	0	0	110.3	V912 R918 L921	V912-Y914 HydrophobicContact CG2-CE2 3.87Å; Y914-R918 HydrophobicContact CD1-CB 4.42Å; Y914-R918 HydrophobicContact CD1-CG 4.47Å; Y914-L921 HydrophobicContact CD1-CD1 4.03Å; Y914-L921 HydrophobicContact CE1-CD1 3.62Å; Y914-L921 HydrophobicContact CE2-CD1 4.45Å
915	S	70.9	Confident	82.2	Confident	19 Å²	19	51.1 Å²	51.1	13%	0.133	25%	0.253	C	S	.	.			trans	-81.6	166.4	169.8	-168	0	0	0	0	112.6	E842 G917 R918 N920	E842-S915 VanDerWaalsContact CD-OG 3.31Å; E842-S915 PolarHBondContact OE1-OG 2.93Å; E842-S915 WeakPolarHBondContact OE2-CA 3.43Å; E842-S915 WeakPolarHBondContact OE2-CB 3.37Å; E842-S915 PolarHBondContact OE2-OG 3.21Å; S915-G917 PolarHBondContact O-N 2.99Å; S915-R918 PolarHBondContact O-N 3.17Å; S915-N920 PolarHBondContact N-O 3.11Å
916	A	56.8	Low	81.9	Confident	95 Å²	95	51.9 Å²	51.9	79%	0.785	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	120.2	-179.1	0	0	0	0	0	111.8
917	G	56	Low	81.8	Confident	65 Å²	65	53.5 Å²	53.5	67%	0.67	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	10.3	-175.8	0	0	0	0	0	116	S915 R919	S915-G917 PolarHBondContact O-N 2.99Å; G917-R919 PolarHBondContact O-N 3.23Å; G917-R919 VanDerWaalsContact O-N 3.13Å
918	R	58.3	Low	81.6	Confident	213 Å²	213	54 Å²	54	80%	0.804	27%	0.265	S	S	*	.	S	Bend	trans	58.3	18.1	-179.3	-63.7	-172	178.6	-177.7	-0.7	115.1	Y914 S915	Y914-R918 HydrophobicContact CD1-CB 4.42Å; Y914-R918 HydrophobicContact CD1-CG 4.47Å; S915-R918 PolarHBondContact O-N 3.17Å
919	R	58.1	Low	81.2	Confident	199 Å²	199	49.5 Å²	49.5	75%	0.751	25%	0.248	S	C	*	.			trans	-86.6	-22.2	-174.3	-75.6	179.2	169.9	147.7	-1.8	114.7	G917	G917-R919 PolarHBondContact O-N 3.23Å; G917-R919 VanDerWaalsContact O-N 3.13Å
920	N	73.9	Confident	81	Confident	85 Å²	85	49.1 Å²	49.1	46%	0.455	25%	0.248	S	C	.	.			trans	-121.4	104	179.2	-54	-37.9	0	0	0	109.8	S915	S915-N920 PolarHBondContact N-O 3.11Å
921	L	84.1	Confident	81.1	Confident	11 Å²	11	48.3 Å²	48.3	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	174.7	180	56.9	0	0	0	109.6	F891 E892 I895 V912 Y914	F891-L921 HydrophobicContact CD1-CB 4.33Å; F891-L921 HydrophobicContact CD1-CD2 4.08Å; F891-L921 HydrophobicContact CD1-CG 4.03Å; F891-L921 HydrophobicContact CE1-CB 4.4Å; F891-L921 HydrophobicContact CE1-CG 4.03Å; F891-L921 WeakPolarHBondContact CE1-O 3.32Å; E892-L921 HydrophobicContact CG-CD2 3.59Å; I895-L921 HydrophobicContact CD1-CD1 4.02Å; I895-L921 HydrophobicContact CD1-CD2 3.4Å; I895-L921 VanDerWaalsContact CD1-CD2 3.4Å; I895-L921 HydrophobicContact CD1-CG 3.62Å; V912-L921 HydrophobicContact CB-CD1 3.97Å; V912-L921 HydrophobicContact CG1-CD1 4.21Å; Y914-L921 HydrophobicContact CD1-CD1 4.03Å; Y914-L921 HydrophobicContact CE1-CD1 3.62Å; Y914-L921 HydrophobicContact CE2-CD1 4.45Å
922	R	88.9	Confident	81.2	Confident	39 Å²	39	49 Å²	49	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.3	175.2	-48.3	179.6	176.5	-173.9	-4.2	109.6	E842 V877 K878 K879 V912 C913	E842-R922 IonicContact OE1-CZ 2.83Å; E842-R922 IonicContact OE1-NE 2.72Å; E842-R922 IonicContact OE1-NH1 3.23Å; E842-R922 IonicContact OE1-NH2 3.4Å; E842-R922 PolarHBondContact OE1-NH2 3.19Å; V877-R922 HydrophobicContact CG1-CB 3.95Å; V877-R922 HydrophobicContact CG1-CG 4.49Å; K878-R922 WeakPolarHBondContact O-CA 3.37Å; K879-R922 VanDerWaalsContact CE-CZ 3.49Å; K879-R922 HydrophobicContact CG-CG 4.06Å; V912-R922 CarbonylContact C-O 3.56Å; V912-R922 VanDerWaalsContact CA-O 3.3Å; V912-R922 WeakPolarHBondContact CA-O 3.33Å; C913-R922 HydrophobicContact CB-CB 4.15Å; C913-R922 PolarHBondContact N-O 3.34Å; C913-R922 PolarHBondContact O-N 2.8Å
923	L	90.6	Very high	81.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.8	175.6	166.7	57.1	0	0	0	109.4	V877 K878 F891 E894 I895 L898 Y909 M925	V877-L923 WeakPolarHBondContact CA-O 3.32Å; K878-L923 HydrophobicContact CB-CB 4.31Å; K878-L923 PolarHBondContact N-O 3.43Å; K878-L923 PolarHBondContact O-N 3.28Å; F891-L923 HydrophobicContact CE1-CB 4.32Å; F891-L923 HydrophobicContact CE2-CB 4.17Å; F891-L923 HydrophobicContact CZ-CB 3.59Å; E894-L923 HydrophobicContact CG-CD2 4.44Å; I895-L923 HydrophobicContact CD1-CB 4.35Å; I895-L923 HydrophobicContact CG1-CB 3.99Å; I895-L923 HydrophobicContact CG1-CD1 4.1Å; I895-L923 HydrophobicContact CG1-CD2 4.27Å; I895-L923 HydrophobicContact CG1-CG 4.33Å; L898-L923 HydrophobicContact CD2-CD1 4.36Å; L898-L923 HydrophobicContact CD2-CD2 4.07Å; Y909-L923 HydrophobicContact CD2-CD1 3.65Å; Y909-L923 HydrophobicContact CE2-CD1 3.82Å; L923-M925 HydrophobicContact CD1-CG 4.12Å; L923-M925 HydrophobicContact CD2-CG 4.31Å; L923-M925 HydrophobicContact CD2-SD 3.99Å; L923-M925 HydrophobicContact CG-CG 3.91Å; L923-M925 HydrophobicContact CG-SD 4.15Å
924	I	92.4	Very high	81.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.2	179.1	-43.5	-60.8	0	0	0	109.3	F840 L845 V875 V877 K910 G911 C913	F840-I924 HydrophobicContact CB-CG1 4.04Å; F840-I924 HydrophobicContact CD1-CG1 4.19Å; F840-I924 HydrophobicContact CD1-CG2 4.08Å; F840-I924 HydrophobicContact CD2-CB 4.19Å; F840-I924 HydrophobicContact CD2-CG1 3.87Å; F840-I924 HydrophobicContact CD2-CG2 4.4Å; F840-I924 HydrophobicContact CE1-CG2 3.87Å; F840-I924 HydrophobicContact CE2-CB 4.26Å; F840-I924 HydrophobicContact CE2-CG1 4.45Å; F840-I924 HydrophobicContact CE2-CG2 4.21Å; F840-I924 HydrophobicContact CG-CB 4.4Å; F840-I924 HydrophobicContact CG-CG1 3.77Å; F840-I924 HydrophobicContact CG-CG2 4.38Å; F840-I924 HydrophobicContact CZ-CB 4.5Å; F840-I924 HydrophobicContact CZ-CG2 3.95Å; L845-I924 HydrophobicContact CD1-CD1 3.94Å; L845-I924 HydrophobicContact CD2-CD1 4.36Å; V875-I924 HydrophobicContact CB-CG2 3.71Å; V875-I924 HydrophobicContact CG1-CG2 3.94Å; V875-I924 HydrophobicContact CG2-CG2 3.85Å; V877-I924 HydrophobicContact CB-CD1 4.25Å; V877-I924 HydrophobicContact CG1-CD1 3.86Å; V877-I924 HydrophobicContact CG2-CD1 3.71Å; K910-I924 HydrophobicContact CB-CB 4.4Å; K910-I924 HydrophobicContact CB-CG2 4.13Å; K910-I924 WeakPolarHBondContact CB-O 3.32Å; K910-I924 PolarHBondContact N-O 3.44Å; G911-I924 PolarHBondContact N-O 2.9Å; G911-I924 WeakPolarHBondContact O-CB 3.5Å; G911-I924 PolarHBondContact O-N 3.05Å; C913-I924 HydrophobicContact CB-CD1 4.15Å; C913-I924 HydrophobicContact CB-CG1 4.44Å
925	M	92.5	Very high	82.1	Confident	21 Å²	21	52 Å²	52	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	166.3	-176.7	-60.2	170.9	-67.2	0	0	110.9	A876 K878 L898 V907 K908 L923	A876-M925 HydrophobicContact CB-CB 4.37Å; A876-M925 HydrophobicContact CB-CE 4.42Å; A876-M925 PolarHBondContact N-O 2.94Å; A876-M925 PolarHBondContact O-N 3.39Å; K878-M925 HydrophobicContact CB-CE 3.85Å; L898-M925 HydrophobicContact CD2-CG 3.97Å; L898-M925 HydrophobicContact CD2-SD 3.9Å; V907-M925 HydrophobicContact CG1-CB 4.03Å; V907-M925 HydrophobicContact CG1-CG 4.38Å; V907-M925 HydrophobicContact CG1-SD 4.22Å; K908-M925 WeakPolarHBondContact O-CA 3.33Å; L923-M925 HydrophobicContact CD1-CG 4.12Å; L923-M925 HydrophobicContact CD2-CG 4.31Å; L923-M925 HydrophobicContact CD2-SD 3.99Å; L923-M925 HydrophobicContact CG-CG 3.91Å; L923-M925 HydrophobicContact CG-SD 4.15Å
926	E	91	Very high	83.1	Confident	21 Å²	21	51.4 Å²	51.4	10%	0.098	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	143.6	167.3	68.1	-179.5	152.5	0	0	112.1	V907 K908 L928 K987	V907-E926 HydrophobicContact CG1-CG 4.07Å; K908-E926 HydrophobicContact CB-CB 4.28Å; K908-E926 HydrophobicContact CB-CG 3.97Å; K908-E926 WeakPolarHBondContact CB-OE1 3.37Å; K908-E926 WeakPolarHBondContact CG-OE1 3.23Å; K908-E926 PolarHBondContact N-OE1 2.99Å; K908-E926 PolarHBondContact O-N 3.34Å; K908-E926 VanDerWaalsContact O-N 3.13Å; E926-L928 HydrophobicContact CG-CD2 4.24Å; E926-L928 HydrophobicContact CG-CG 4.37Å; E926-K987 VanDerWaalsContact CD-NZ 3.28Å; E926-K987 VanDerWaalsContact OE1-CD 3.28Å; E926-K987 WeakPolarHBondContact OE1-CD 3.49Å; E926-K987 IonicContact OE1-NZ 3.45Å; E926-K987 PolarHBondContact OE1-NZ 2.64Å; E926-K987 IonicContact OE2-NZ 3.07Å; E926-K987 PolarHBondContact OE2-NZ 2.78Å
927	Y	91.1	Very high	84.7	Confident	35 Å²	35	46.9 Å²	46.9	14%	0.137	23%	0.229	C	C	.	.			trans	-91.3	125.8	174.4	170.8	-116.6	0	0	0	110.4	L851 M861 V874 P929	L851-Y927 HydrophobicContact CD1-CD2 3.8Å; L851-Y927 HydrophobicContact CD1-CE2 3.85Å; L851-Y927 HydrophobicContact CD2-CE2 3.8Å; L851-Y927 HydrophobicContact CG-CE2 4.49Å; M861-Y927 HydrophobicContact CE-CD1 4.31Å; M861-Y927 HydrophobicContact CE-CE1 3.8Å; M861-Y927 HydrophobicContact CG-CD2 4.36Å; M861-Y927 HydrophobicContact CG-CE2 4.3Å; M861-Y927 HydrophobicContact SD-CE1 4.33Å; M861-Y927 HydrophobicContact SD-CE2 4.31Å; V874-Y927 HydrophobicContact CG1-CD1 3.6Å; V874-Y927 HydrophobicContact CG1-CE1 4.31Å; V874-Y927 HydrophobicContact CG1-CG 3.9Å; Y927-P929 HydrophobicContact CE1-CB 4.16Å
928	L	89.6	Confident	86.3	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.073	21%	0.214	C	C	.	.			trans	-110.3	112.7	179.3	-61.3	177.6	0	0	0	110.2	V907 E926 F930 G931 L979 E981 K987	V907-L928 HydrophobicContact CG2-CD1 4.22Å; E926-L928 HydrophobicContact CG-CD2 4.24Å; E926-L928 HydrophobicContact CG-CG 4.37Å; L928-F930 PolarHBondContact O-N 2.89Å; L928-G931 PolarHBondContact O-N 3.17Å; L928-L979 HydrophobicContact CB-CB 4.44Å; L928-L979 HydrophobicContact CD1-CB 3.4Å; L928-L979 VanDerWaalsContact CD1-CB 3.4Å; L928-L979 HydrophobicContact CD1-CD1 3.83Å; L928-L979 HydrophobicContact CD1-CG 4.26Å; L928-E981 HydrophobicContact CD2-CB 3.9Å; L928-E981 HydrophobicContact CD2-CG 4Å; L928-K987 HydrophobicContact CD1-CB 4.31Å; L928-K987 HydrophobicContact CD1-CD 4.24Å
929	P	82.2	Confident	87.6	Confident	27 Å²	27	41 Å²	41	18%	0.175	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.9	-165.6	25.8	-34.1	0	0	0	114.4	Q600 Y927 G931	Q600-P929 VanDerWaalsContact O-CG 3.27Å; Q600-P929 WeakPolarHBondContact O-CG 3.11Å; Y927-P929 HydrophobicContact CE1-CB 4.16Å; P929-G931 VanDerWaalsContact C-N 3.27Å; P929-G931 PolarHBondContact O-N 3.04Å
930	F	85.4	Confident	88.7	Confident	36 Å²	36	32 Å²	32	16%	0.158	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.7	179.6	-65.5	-85.6	0	0	0	113.5	Q600 L928 Y936 V980	Q600-F930 HydrophobicContact CB-CE1 3.94Å; Q600-F930 HydrophobicContact CB-CE2 4.45Å; Q600-F930 HydrophobicContact CB-CZ 3.8Å; Q600-F930 HydrophobicContact CG-CD1 4.3Å; Q600-F930 HydrophobicContact CG-CE1 3.81Å; Q600-F930 HydrophobicContact CG-CZ 4.22Å; L928-F930 PolarHBondContact O-N 2.89Å; F930-Y936 HydrophobicContact CB-CD2 4.15Å; F930-Y936 HydrophobicContact CB-CE2 4.47Å; F930-Y936 AromaticContact CD1-CD2 3.98Å; F930-Y936 HydrophobicContact CD1-CD2 3.98Å; F930-Y936 AromaticContact CD1-CE2 3.58Å; F930-Y936 HydrophobicContact CD1-CE2 3.58Å; F930-Y936 HydrophobicContact CE1-CE2 4.12Å; F930-Y936 HydrophobicContact CG-CD2 4.46Å; F930-Y936 HydrophobicContact CG-CE2 4.31Å; F930-V980 HydrophobicContact CB-CB 3.58Å; F930-V980 HydrophobicContact CB-CG1 3.7Å; F930-V980 WeakPolarHBondContact CB-O 3.46Å; F930-V980 HydrophobicContact CD2-CG1 4.27Å; F930-V980 HydrophobicContact CG-CB 4.42Å; F930-V980 HydrophobicContact CG-CG1 4.01Å
931	G	89.7	Confident	89.2	Confident	29 Å²	29	32.6 Å²	32.6	30%	0.299	16%	0.159	S	C	.	.			trans	69	-149.3	177.2	0	0	0	0	0	113.3	L928 P929 L979 V980	L928-G931 PolarHBondContact O-N 3.17Å; P929-G931 VanDerWaalsContact C-N 3.27Å; P929-G931 PolarHBondContact O-N 3.04Å; G931-L979 CarbonylContact O-C 3.51Å; G931-L979 WeakPolarHBondContact O-CA 3.44Å; G931-V980 PolarHBondContact O-N 2.85Å
932	S	93.3	Very high	88.9	Confident	15 Å²	15	39.4 Å²	39.4	11%	0.105	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-72.3	145.1	-177.6	78.5	0	0	0	0	112.4	R934 D935 Y936 R976 I978	S932-R934 PolarHBondContact O-N 3.37Å; S932-D935 PolarHBondContact O-N 2.91Å; S932-D935 VanDerWaalsContact OG-CG 3.29Å; S932-D935 PolarHBondContact OG-N 3.47Å; S932-D935 PolarHBondContact OG-OD2 2.91Å; S932-Y936 WeakPolarHBondContact O-CB 3.4Å; S932-Y936 PolarHBondContact O-N 3.3Å; S932-R976 WeakPolarHBondContact CB-O 3.44Å; S932-I978 CarbonylContact C-O 3.6Å; S932-I978 WeakPolarHBondContact CA-O 3.29Å
933	L	95.3	Very high	88.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-34.1	176.1	-178.7	58.7	0	0	0	110.8	Y936 L937 Y952 I956 T975 I978 V980 V986 L1043	L933-Y936 HydrophobicContact CD1-CD1 4.21Å; L933-Y936 PolarHBondContact O-N 3.5Å; L933-L937 HydrophobicContact CD1-CD1 4.19Å; L933-L937 HydrophobicContact CD1-CD2 4.26Å; L933-L937 HydrophobicContact CD1-CG 3.88Å; L933-L937 HydrophobicContact CG-CD1 3.9Å; L933-L937 HydrophobicContact CG-CG 4.11Å; L933-L937 WeakPolarHBondContact O-CB 3.49Å; L933-L937 WeakPolarHBondContact O-CG 3.34Å; L933-L937 PolarHBondContact O-N 2.98Å; L933-Y952 HydrophobicContact CD1-CD2 3.85Å; L933-Y952 HydrophobicContact CD1-CE2 3.89Å; L933-Y952 HydrophobicContact CD2-CD2 4.49Å; L933-I956 HydrophobicContact CD2-CD1 4.3Å; L933-T975 PolarHBondContact N-O 2.93Å; L933-I978 HydrophobicContact CB-CB 3.92Å; L933-I978 HydrophobicContact CB-CG2 3.98Å; L933-I978 WeakPolarHBondContact CB-O 3.33Å; L933-I978 HydrophobicContact CD2-CB 4.13Å; L933-I978 HydrophobicContact CD2-CG2 3.76Å; L933-I978 PolarHBondContact N-O 3.15Å; L933-V980 HydrophobicContact CB-CG2 4.03Å; L933-V980 HydrophobicContact CD1-CG2 3.79Å; L933-V986 HydrophobicContact CD1-CG1 4.32Å; L933-V986 HydrophobicContact CD2-CG1 4.4Å; L933-L1043 HydrophobicContact CD2-CD2 3.68Å; L933-L1043 HydrophobicContact CG-CD2 4.41Å
934	R	94.1	Very high	87.8	Confident	88 Å²	88	42 Å²	42	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-53.6	-55.2	171.9	-174.8	-173.3	179.8	-176.8	3.2	111.9	S932 Y936 I938 T975 R976	S932-R934 PolarHBondContact O-N 3.37Å; R934-Y936 VanDerWaalsContact C-N 3.3Å; R934-Y936 PolarHBondContact O-N 3.37Å; R934-I938 HydrophobicContact CG-CD1 4.24Å; R934-I938 WeakPolarHBondContact O-CD1 3.08Å; R934-I938 VanDerWaalsContact O-CG1 3.3Å; R934-I938 WeakPolarHBondContact O-CG1 3.42Å; R934-I938 PolarHBondContact O-N 2.82Å; R934-T975 PolarHBondContact N-O 3.47Å; R934-T975 VanDerWaalsContact N-O 3.09Å; R934-R976 HydrophobicContact CB-CB 4.41Å
935	D	90.8	Very high	87.4	Confident	80 Å²	80	46.3 Å²	46.3	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-33.4	-178.7	-65	-40.6	0	0	0	111.6	S932 K939	S932-D935 PolarHBondContact O-N 2.91Å; S932-D935 VanDerWaalsContact OG-CG 3.29Å; S932-D935 PolarHBondContact OG-N 3.47Å; S932-D935 PolarHBondContact OG-OD2 2.91Å; D935-K939 WeakPolarHBondContact O-CB 3.3Å; D935-K939 WeakPolarHBondContact O-CD 3.31Å; D935-K939 WeakPolarHBondContact O-CG 3.14Å; D935-K939 PolarHBondContact O-N 3.33Å; D935-K939 VanDerWaalsContact O-N 3.17Å
936	Y	90.3	Very high	87.1	Confident	6 Å²	6	46.9 Å²	46.9	2%	0.024	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-48.3	176.7	-174.1	-97.2	0	0	0	111.7	F930 S932 L933 R934 I938 K939 H940 I944 V980	F930-Y936 HydrophobicContact CB-CD2 4.15Å; F930-Y936 HydrophobicContact CB-CE2 4.47Å; F930-Y936 AromaticContact CD1-CD2 3.98Å; F930-Y936 HydrophobicContact CD1-CD2 3.98Å; F930-Y936 AromaticContact CD1-CE2 3.58Å; F930-Y936 HydrophobicContact CD1-CE2 3.58Å; F930-Y936 HydrophobicContact CE1-CE2 4.12Å; F930-Y936 HydrophobicContact CG-CD2 4.46Å; F930-Y936 HydrophobicContact CG-CE2 4.31Å; S932-Y936 WeakPolarHBondContact O-CB 3.4Å; S932-Y936 PolarHBondContact O-N 3.3Å; L933-Y936 HydrophobicContact CD1-CD1 4.21Å; L933-Y936 PolarHBondContact O-N 3.5Å; R934-Y936 VanDerWaalsContact C-N 3.3Å; R934-Y936 PolarHBondContact O-N 3.37Å; Y936-I938 PolarHBondContact O-N 3.37Å; Y936-K939 PolarHBondContact O-N 2.63Å; Y936-H940 AromaticContact CD2-CD2 3.35Å; Y936-H940 WeakPolarHBondContact CD2-CD2 3.47Å; Y936-H940 AromaticContact CD2-NE2 3.76Å; Y936-H940 AromaticContact CE2-CD2 3.35Å; Y936-H940 WeakPolarHBondContact CE2-CD2 3.39Å; Y936-H940 AromaticContact CE2-NE2 3.63Å; Y936-H940 AromaticContact CG-CD2 3.81Å; Y936-H940 AromaticContact CZ-CD2 3.83Å; Y936-H940 WeakPolarHBondContact O-CB 3.41Å; Y936-H940 PolarHBondContact O-CD2 3.12Å; Y936-H940 PolarHBondContact O-N 3.09Å; Y936-I944 HydrophobicContact CD1-CD1 3.88Å; Y936-I944 HydrophobicContact CE1-CD1 3.59Å; Y936-V980 HydrophobicContact CD1-CG2 4.13Å; Y936-V980 HydrophobicContact CD2-CG1 4.29Å; Y936-V980 HydrophobicContact CD2-CG2 4.44Å; Y936-V980 HydrophobicContact CE2-CG1 4.31Å; Y936-V980 HydrophobicContact CG-CG1 4.43Å; Y936-V980 HydrophobicContact CG-CG2 3.91Å
937	L	91.3	Very high	86.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-44.8	178.4	-71.3	168.9	0	0	0	112	L933 K939 H940 K941 I944 L949 L1043 Y1046	L933-L937 HydrophobicContact CD1-CD1 4.19Å; L933-L937 HydrophobicContact CD1-CD2 4.26Å; L933-L937 HydrophobicContact CD1-CG 3.88Å; L933-L937 HydrophobicContact CG-CD1 3.9Å; L933-L937 HydrophobicContact CG-CG 4.11Å; L933-L937 WeakPolarHBondContact O-CB 3.49Å; L933-L937 WeakPolarHBondContact O-CG 3.34Å; L933-L937 PolarHBondContact O-N 2.98Å; L937-K939 VanDerWaalsContact C-N 3.27Å; L937-K939 PolarHBondContact O-N 2.99Å; L937-H940 PolarHBondContact O-N 3.28Å; L937-K941 PolarHBondContact O-N 2.72Å; L937-I944 HydrophobicContact CD2-CD1 3.84Å; L937-I944 HydrophobicContact CD2-CG2 4.31Å; L937-L949 HydrophobicContact CD2-CD2 3.62Å; L937-L1043 HydrophobicContact CD1-CD2 3.87Å; L937-Y1046 HydrophobicContact CD2-CD1 4.42Å
938	I	89.9	Confident	86.7	Confident	66 Å²	66	47.3 Å²	47.3	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-39.4	177.7	-66.4	166.5	0	0	0	110.9	R934 Y936 S1047	R934-I938 HydrophobicContact CG-CD1 4.24Å; R934-I938 WeakPolarHBondContact O-CD1 3.08Å; R934-I938 VanDerWaalsContact O-CG1 3.3Å; R934-I938 WeakPolarHBondContact O-CG1 3.42Å; R934-I938 PolarHBondContact O-N 2.82Å; Y936-I938 PolarHBondContact O-N 3.37Å; I938-S1047 WeakPolarHBondContact CD1-O 3.27Å; I938-S1047 WeakPolarHBondContact CG1-O 3.42Å
939	K	84.4	Confident	86.9	Confident	90 Å²	90	46.7 Å²	46.7	39%	0.391	23%	0.234	S	C	.	.	H	α-helix	trans	-81	-19.1	-178.7	-72.2	171.6	-171.5	167.3	0	114.2	Q531 D935 Y936 L937	Q531-K939 VanDerWaalsContact CD-O 3.26Å; Q531-K939 PolarHBondContact OE1-O 3.37Å; D935-K939 WeakPolarHBondContact O-CB 3.3Å; D935-K939 WeakPolarHBondContact O-CD 3.31Å; D935-K939 WeakPolarHBondContact O-CG 3.14Å; D935-K939 PolarHBondContact O-N 3.33Å; D935-K939 VanDerWaalsContact O-N 3.17Å; Y936-K939 PolarHBondContact O-N 2.63Å; L937-K939 VanDerWaalsContact C-N 3.27Å; L937-K939 PolarHBondContact O-N 2.99Å
940	H	82.3	Confident	87.4	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.046	23%	0.226	C	C	.	.	H	α-helix	trans	-127.3	19.6	-170.5	-63.1	-71.2	0	0	0	113.3	Y936 L937 D942 R943 I944	Y936-H940 AromaticContact CD2-CD2 3.35Å; Y936-H940 WeakPolarHBondContact CD2-CD2 3.47Å; Y936-H940 AromaticContact CD2-NE2 3.76Å; Y936-H940 AromaticContact CE2-CD2 3.35Å; Y936-H940 WeakPolarHBondContact CE2-CD2 3.39Å; Y936-H940 AromaticContact CE2-NE2 3.63Å; Y936-H940 AromaticContact CG-CD2 3.81Å; Y936-H940 AromaticContact CZ-CD2 3.83Å; Y936-H940 WeakPolarHBondContact O-CB 3.41Å; Y936-H940 PolarHBondContact O-CD2 3.12Å; Y936-H940 PolarHBondContact O-N 3.09Å; L937-H940 PolarHBondContact O-N 3.28Å; H940-D942 VanDerWaalsContact C-N 3.25Å; H940-D942 PolarHBondContact O-N 3.45Å; H940-D942 VanDerWaalsContact O-N 3.13Å; H940-R943 PolarHBondContact O-N 3.18Å; H940-I944 HydrophobicContact CB-CD1 3.76Å; H940-I944 HydrophobicContact CB-CG1 4.2Å; H940-I944 WeakPolarHBondContact O-CG1 3.45Å; H940-I944 PolarHBondContact O-N 3.1Å
941	K	83.8	Confident	87.6	Confident	97 Å²	97	44.7 Å²	44.7	42%	0.422	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-45.5	-46.3	-178	-178.5	173	-178.2	178.7	0	113.2	L937 R943 I944 Y1046	L937-K941 PolarHBondContact O-N 2.72Å; K941-R943 VanDerWaalsContact C-N 3.25Å; K941-R943 PolarHBondContact O-N 3.27Å; K941-I944 PolarHBondContact O-N 2.92Å; K941-Y1046 HydrophobicContact CB-CD1 4.14Å; K941-Y1046 HydrophobicContact CB-CG 4.37Å; K941-Y1046 HydrophobicContact CD-CG 4.25Å; K941-Y1046 HydrophobicContact CG-CD1 3.82Å; K941-Y1046 HydrophobicContact CG-CD2 4.16Å; K941-Y1046 HydrophobicContact CG-CE1 4.28Å; K941-Y1046 HydrophobicContact CG-CG 3.73Å
942	D	78.4	Confident	87.9	Confident	154 Å²	154	43.3 Å²	43.3	82%	0.824	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-73	-12.8	-175.2	-55.1	-38.3	0	0	0	114.4	H940	H940-D942 VanDerWaalsContact C-N 3.25Å; H940-D942 PolarHBondContact O-N 3.45Å; H940-D942 VanDerWaalsContact O-N 3.13Å
943	R	73.3	Confident	88.1	Confident	90 Å²	90	42.6 Å²	42.6	34%	0.34	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-108.4	-8.1	-178.7	-58.5	-167.8	-162.8	155.2	13.3	113.9	H528 Q531 H940 K941	H528-R943 PolarHBondContact O-NE 2.99Å; H528-R943 VanDerWaalsContact O-NE 3.1Å; H528-R943 PolarHBondContact O-NH2 3.03Å; Q531-R943 PolarHBondContact O-NH2 2.86Å; H940-R943 PolarHBondContact O-N 3.18Å; K941-R943 VanDerWaalsContact C-N 3.25Å; K941-R943 PolarHBondContact O-N 3.27Å
944	I	83.4	Confident	88.1	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	20%	0.204	C	C	.	.			trans	-104.1	106.9	-175.4	-64.6	173.7	0	0	0	107.2	Y936 L937 H940 K941 K948 L949 Y1046	Y936-I944 HydrophobicContact CD1-CD1 3.88Å; Y936-I944 HydrophobicContact CE1-CD1 3.59Å; L937-I944 HydrophobicContact CD2-CD1 3.84Å; L937-I944 HydrophobicContact CD2-CG2 4.31Å; H940-I944 HydrophobicContact CB-CD1 3.76Å; H940-I944 HydrophobicContact CB-CG1 4.2Å; H940-I944 WeakPolarHBondContact O-CG1 3.45Å; H940-I944 PolarHBondContact O-N 3.1Å; K941-I944 PolarHBondContact O-N 2.92Å; I944-K948 HydrophobicContact CG1-CD 4.21Å; I944-K948 HydrophobicContact CG2-CB 4.08Å; I944-K948 HydrophobicContact CG2-CD 4.41Å; I944-K948 HydrophobicContact CG2-CG 4.22Å; I944-L949 HydrophobicContact CG2-CD2 3.49Å; I944-L949 VanDerWaalsContact CG2-CD2 3.49Å; I944-L949 HydrophobicContact CG2-CG 3.83Å; I944-Y1046 HydrophobicContact CB-CE1 4Å; I944-Y1046 HydrophobicContact CG2-CE1 4.07Å; I944-Y1046 VanDerWaalsContact O-CE1 3.24Å; I944-Y1046 WeakPolarHBondContact O-CE1 3.31Å; I944-Y1046 PolarHBondContact O-OH 2.88Å
945	D	84.1	Confident	88.2	Confident	90 Å²	90	38.9 Å²	38.9	48%	0.481	19%	0.19	S	C	.	.			trans	-82.3	174.4	174.3	69.6	5.2	0	0	0	111.6	M947 K948 L949	D945-M947 PolarHBondContact O-N 3.39Å; D945-M947 WeakPolarHBondContact OD1-CB 3.42Å; D945-M947 PolarHBondContact OD1-N 3.02Å; D945-M947 VanDerWaalsContact OD1-N 3.1Å; D945-K948 PolarHBondContact O-N 3.1Å; D945-K948 WeakPolarHBondContact OD1-CB 3.49Å; D945-K948 PolarHBondContact OD1-N 3.32Å; D945-L949 WeakPolarHBondContact O-CG 3.37Å; D945-L949 PolarHBondContact O-N 3.31Å
946	S	85.6	Confident	88.5	Confident	32 Å²	32	35.1 Å²	35.1	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-28.2	177.3	-54.7	0	0	0	0	113	L949 L950	S946-L949 PolarHBondContact O-N 3.45Å; S946-L950 VanDerWaalsContact O-CG 3.22Å; S946-L950 WeakPolarHBondContact O-CG 3.43Å; S946-L950 PolarHBondContact O-N 3.14Å
947	M	85.3	Confident	88.9	Confident	37 Å²	37	34.9 Å²	34.9	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-42.1	-179	-68.3	-61.8	-75.5	0	0	111.3	D945 L950 H951 R1123 K1126 D1127	D945-M947 PolarHBondContact O-N 3.39Å; D945-M947 WeakPolarHBondContact OD1-CB 3.42Å; D945-M947 PolarHBondContact OD1-N 3.02Å; D945-M947 VanDerWaalsContact OD1-N 3.1Å; M947-L950 PolarHBondContact O-N 3.46Å; M947-L950 HydrophobicContact SD-CD1 4.32Å; M947-H951 WeakPolarHBondContact O-CB 2.94Å; M947-H951 PolarHBondContact O-N 3.01Å; M947-R1123 HydrophobicContact CE-CB 4.44Å; M947-R1123 HydrophobicContact CE-CG 3.36Å; M947-R1123 WeakPolarHBondContact CE-O 3.47Å; M947-R1123 HydrophobicContact SD-CG 3.91Å; M947-K1126 HydrophobicContact CE-CB 4.39Å; M947-K1126 HydrophobicContact SD-CB 3.63Å; M947-K1126 HydrophobicContact SD-CD 4.07Å; M947-K1126 HydrophobicContact SD-CG 4.48Å; M947-D1127 VanDerWaalsContact CE-CG 3.44Å; M947-D1127 WeakPolarHBondContact CE-OD1 3.1Å; M947-D1127 WeakPolarHBondContact CE-OD2 3.19Å
948	K	88	Confident	89	Confident	29 Å²	29	36.9 Å²	36.9	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-39.4	174.5	-166.4	161.7	-177.7	172.3	0	111.7	I944 D945 H951 Y952 E983	I944-K948 HydrophobicContact CG1-CD 4.21Å; I944-K948 HydrophobicContact CG2-CB 4.08Å; I944-K948 HydrophobicContact CG2-CD 4.41Å; I944-K948 HydrophobicContact CG2-CG 4.22Å; D945-K948 PolarHBondContact O-N 3.1Å; D945-K948 WeakPolarHBondContact OD1-CB 3.49Å; D945-K948 PolarHBondContact OD1-N 3.32Å; K948-H951 WeakPolarHBondContact O-CB 3.43Å; K948-H951 PolarHBondContact O-N 2.88Å; K948-Y952 WeakPolarHBondContact CE-OH 3.27Å; K948-Y952 HydrophobicContact CG-CE1 4.34Å; K948-Y952 HydrophobicContact CG-CE2 4.01Å; K948-Y952 PolarHBondContact O-N 3.15Å; K948-E983 WeakPolarHBondContact CE-O 3.5Å; K948-E983 IonicContact NZ-OE2 3.68Å; K948-E983 PolarHBondContact NZ-OE2 3.21Å
949	L	93.8	Very high	89.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-44.1	172.4	-63.5	179.6	0	0	0	112.3	L937 I944 D945 S946 H951 Y952 A953 L1043 F1044 Y1046	L937-L949 HydrophobicContact CD2-CD2 3.62Å; I944-L949 HydrophobicContact CG2-CD2 3.49Å; I944-L949 VanDerWaalsContact CG2-CD2 3.49Å; I944-L949 HydrophobicContact CG2-CG 3.83Å; D945-L949 WeakPolarHBondContact O-CG 3.37Å; D945-L949 PolarHBondContact O-N 3.31Å; S946-L949 PolarHBondContact O-N 3.45Å; L949-H951 VanDerWaalsContact C-N 3.29Å; L949-H951 PolarHBondContact O-N 3.29Å; L949-Y952 PolarHBondContact O-N 3.15Å; L949-A953 WeakPolarHBondContact O-CB 3.37Å; L949-A953 PolarHBondContact O-N 3.3Å; L949-L1043 WeakPolarHBondContact CD1-O 3.23Å; L949-L1043 HydrophobicContact CD2-CB 4.28Å; L949-L1043 WeakPolarHBondContact CD2-O 3.34Å; L949-F1044 HydrophobicContact CB-CE2 4.37Å; L949-F1044 HydrophobicContact CB-CZ 4.24Å; L949-F1044 HydrophobicContact CD1-CD1 4.05Å; L949-F1044 HydrophobicContact CD1-CE1 4.19Å; L949-F1044 HydrophobicContact CD1-CG 4.3Å; L949-Y1046 HydrophobicContact CD1-CE1 4.2Å; L949-Y1046 HydrophobicContact CD1-CE2 4.38Å; L949-Y1046 HydrophobicContact CD2-CE1 4.45Å
950	L	92.3	Very high	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-35	175.5	-70.3	170.2	0	0	0	112.2	S946 M947 A953 S954 F1044 I1094 V1119 V1122 R1123	S946-L950 VanDerWaalsContact O-CG 3.22Å; S946-L950 WeakPolarHBondContact O-CG 3.43Å; S946-L950 PolarHBondContact O-N 3.14Å; M947-L950 PolarHBondContact O-N 3.46Å; M947-L950 HydrophobicContact SD-CD1 4.32Å; L950-A953 PolarHBondContact O-N 3.32Å; L950-S954 PolarHBondContact O-N 2.92Å; L950-F1044 HydrophobicContact CD2-CZ 4.07Å; L950-F1044 HydrophobicContact CG-CZ 4.28Å; L950-I1094 HydrophobicContact CD2-CD1 3.33Å; L950-I1094 HydrophobicContact CD2-CG1 3.81Å; L950-V1119 HydrophobicContact CB-CG1 4.33Å; L950-V1119 HydrophobicContact CD2-CG1 4.17Å; L950-V1119 VanDerWaalsContact O-CG1 3.23Å; L950-V1119 WeakPolarHBondContact O-CG1 3.34Å; L950-V1122 HydrophobicContact CD1-CG1 4.07Å; L950-V1122 HydrophobicContact CD2-CG1 4.42Å; L950-R1123 HydrophobicContact CB-CB 4.36Å; L950-R1123 HydrophobicContact CB-CG 4.2Å; L950-R1123 HydrophobicContact CD1-CB 4.29Å; L950-R1123 HydrophobicContact CD1-CG 4.42Å
951	H	90.6	Very high	90.7	Very high	22 Å²	22	32 Å²	32	10%	0.102	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-47	174.6	-168.1	68.7	0	0	0	111.5	M947 K948 L949 A953 S954 Q955 M984	M947-H951 WeakPolarHBondContact O-CB 2.94Å; M947-H951 PolarHBondContact O-N 3.01Å; K948-H951 WeakPolarHBondContact O-CB 3.43Å; K948-H951 PolarHBondContact O-N 2.88Å; L949-H951 VanDerWaalsContact C-N 3.29Å; L949-H951 PolarHBondContact O-N 3.29Å; H951-A953 PolarHBondContact O-N 3.49Å; H951-S954 PolarHBondContact O-N 3.16Å; H951-Q955 PolarHBondContact NE2-NE2 3.45Å; H951-Q955 WeakPolarHBondContact O-CG 3.39Å; H951-Q955 PolarHBondContact O-N 3.22Å; H951-M984 PolarHBondContact NE2-O 2.91Å; H951-M984 VanDerWaalsContact NE2-O 3.15Å
952	Y	96.3	Very high	91.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-42.8	173.4	-61.6	-25.2	0	0	0	112.2	L933 K948 L949 S954 Q955 I956 E983 V986	L933-Y952 HydrophobicContact CD1-CD2 3.85Å; L933-Y952 HydrophobicContact CD1-CE2 3.89Å; L933-Y952 HydrophobicContact CD2-CD2 4.49Å; K948-Y952 WeakPolarHBondContact CE-OH 3.27Å; K948-Y952 HydrophobicContact CG-CE1 4.34Å; K948-Y952 HydrophobicContact CG-CE2 4.01Å; K948-Y952 PolarHBondContact O-N 3.15Å; L949-Y952 PolarHBondContact O-N 3.15Å; Y952-S954 VanDerWaalsContact C-N 3.35Å; Y952-S954 PolarHBondContact O-N 3.04Å; Y952-Q955 PolarHBondContact O-N 2.91Å; Y952-I956 WeakPolarHBondContact O-CD1 3.5Å; Y952-I956 VanDerWaalsContact O-CG1 3.23Å; Y952-I956 WeakPolarHBondContact O-CG1 3.45Å; Y952-I956 PolarHBondContact O-N 2.96Å; Y952-E983 WeakPolarHBondContact CE1-O 3.47Å; Y952-E983 PolarHBondContact OH-O 3.24Å; Y952-V986 HydrophobicContact CD1-CG1 3.52Å; Y952-V986 HydrophobicContact CD1-CG2 4.32Å; Y952-V986 HydrophobicContact CE1-CG1 3.78Å; Y952-V986 HydrophobicContact CG-CG1 3.95Å
953	A	97.1	Very high	92	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-45.7	176.2	0	0	0	0	0	112.1	L949 L950 H951 I956 C957 F1036 L1040 L1043 V1119	L949-A953 WeakPolarHBondContact O-CB 3.37Å; L949-A953 PolarHBondContact O-N 3.3Å; L950-A953 PolarHBondContact O-N 3.32Å; H951-A953 PolarHBondContact O-N 3.49Å; A953-I956 PolarHBondContact O-N 3.04Å; A953-C957 PolarHBondContact O-N 3.02Å; A953-C957 PolarHBondContact O-SG 3.49Å; A953-F1036 HydrophobicContact CB-CZ 4.26Å; A953-L1040 HydrophobicContact CB-CD2 3.72Å; A953-L1043 HydrophobicContact CB-CD1 3.87Å; A953-V1119 HydrophobicContact CB-CG1 4.15Å
954	S	95.6	Very high	92.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-45.4	176.6	173.2	0	0	0	0	112.4	L950 H951 Y952 I956 C957 K958 E1120	L950-S954 PolarHBondContact O-N 2.92Å; H951-S954 PolarHBondContact O-N 3.16Å; Y952-S954 VanDerWaalsContact C-N 3.35Å; Y952-S954 PolarHBondContact O-N 3.04Å; S954-I956 VanDerWaalsContact C-N 3.35Å; S954-I956 PolarHBondContact O-N 2.83Å; S954-C957 WeakPolarHBondContact O-CB 3.47Å; S954-C957 PolarHBondContact O-N 3.47Å; S954-K958 WeakPolarHBondContact O-CG 3.28Å; S954-K958 PolarHBondContact O-N 2.8Å; S954-K958 WeakPolarHBondContact OG-CE 3.45Å; S954-E1120 WeakPolarHBondContact CB-OE1 3.4Å; S954-E1120 PolarHBondContact OG-OE1 3.21Å
955	Q	95.9	Very high	93.2	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-42.1	177.8	-75.3	-176.4	-9	0	0	112.5	N905 H951 Y952 K958 G959 M984 V986	N905-Q955 WeakPolarHBondContact CB-O 3.48Å; N905-Q955 WeakPolarHBondContact ND2-CB 3.46Å; N905-Q955 PolarHBondContact OD1-O 2.79Å; H951-Q955 PolarHBondContact NE2-NE2 3.45Å; H951-Q955 WeakPolarHBondContact O-CG 3.39Å; H951-Q955 PolarHBondContact O-N 3.22Å; Y952-Q955 PolarHBondContact O-N 2.91Å; Q955-K958 PolarHBondContact O-N 2.82Å; Q955-G959 PolarHBondContact O-N 3.15Å; Q955-M984 PolarHBondContact NE2-O 3.4Å; Q955-V986 HydrophobicContact CB-CG2 3.88Å
956	I	98.1	Very high	93.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-44.2	174.8	-64.7	161.6	0	0	0	110	L933 Y952 A953 S954 K958 G959 M960 L973 I978 V986 F1036 V1039	L933-I956 HydrophobicContact CD2-CD1 4.3Å; Y952-I956 WeakPolarHBondContact O-CD1 3.5Å; Y952-I956 VanDerWaalsContact O-CG1 3.23Å; Y952-I956 WeakPolarHBondContact O-CG1 3.45Å; Y952-I956 PolarHBondContact O-N 2.96Å; A953-I956 PolarHBondContact O-N 3.04Å; S954-I956 VanDerWaalsContact C-N 3.35Å; S954-I956 PolarHBondContact O-N 2.83Å; I956-K958 PolarHBondContact O-N 3.29Å; I956-G959 PolarHBondContact O-N 2.96Å; I956-M960 HydrophobicContact CG2-CG 4.41Å; I956-M960 WeakPolarHBondContact O-CB 3.35Å; I956-M960 WeakPolarHBondContact O-CG 3.32Å; I956-M960 PolarHBondContact O-N 2.85Å; I956-L973 HydrophobicContact CG2-CD1 4.03Å; I956-L973 HydrophobicContact CG2-CD2 4.48Å; I956-I978 HydrophobicContact CD1-CD1 4.44Å; I956-I978 HydrophobicContact CD1-CG1 4.07Å; I956-I978 HydrophobicContact CD1-CG2 4.24Å; I956-I978 HydrophobicContact CG1-CD1 4.17Å; I956-I978 HydrophobicContact CG1-CG1 4.31Å; I956-I978 HydrophobicContact CG1-CG2 4.25Å; I956-I978 HydrophobicContact CG2-CD1 4.41Å; I956-V986 HydrophobicContact CG1-CG2 4Å; I956-F1036 HydrophobicContact CB-CE2 4.28Å; I956-F1036 HydrophobicContact CG2-CD2 3.93Å; I956-F1036 HydrophobicContact CG2-CE2 4.03Å; I956-V1039 HydrophobicContact CD1-CG1 3.98Å
957	C	97.8	Very high	93.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-42.3	175	-67.3	0	0	0	0	112.7	A953 S954 M960 D961 F1036 F1112 I1116	A953-C957 PolarHBondContact O-N 3.02Å; A953-C957 PolarHBondContact O-SG 3.49Å; S954-C957 WeakPolarHBondContact O-CB 3.47Å; S954-C957 PolarHBondContact O-N 3.47Å; C957-M960 PolarHBondContact O-N 3.13Å; C957-D961 WeakPolarHBondContact O-CB 3.47Å; C957-D961 PolarHBondContact O-N 3.03Å; C957-F1036 VanDerWaalsContact SG-CE1 3.53Å; C957-F1036 VanDerWaalsContact SG-CE2 3.52Å; C957-F1036 WeakPolarHBondContact SG-CZ 3.4Å; C957-F1112 HydrophobicContact CB-CD1 4.26Å; C957-I1116 HydrophobicContact CB-CD1 4.36Å; C957-I1116 HydrophobicContact CB-CG1 3.45Å; C957-I1116 VanDerWaalsContact CB-CG1 3.45Å
958	K	94	Very high	94.1	Very high	43 Å²	43	26.1 Å²	26.1	19%	0.187	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-45.9	177.8	-72.3	170.5	-175.7	173.3	0	111.6	S954 Q955 I956 M960 D961 Y962 I1116 E1120	S954-K958 WeakPolarHBondContact O-CG 3.28Å; S954-K958 PolarHBondContact O-N 2.8Å; S954-K958 WeakPolarHBondContact OG-CE 3.45Å; Q955-K958 PolarHBondContact O-N 2.82Å; I956-K958 PolarHBondContact O-N 3.29Å; K958-M960 PolarHBondContact O-N 3.05Å; K958-D961 PolarHBondContact O-N 3.27Å; K958-Y962 PolarHBondContact O-N 3.24Å; K958-Y962 VanDerWaalsContact O-N 3.08Å; K958-I1116 HydrophobicContact CB-CD1 4.42Å; K958-I1116 HydrophobicContact CG-CD1 3.83Å; K958-I1116 HydrophobicContact CG-CG1 4.12Å; K958-I1116 HydrophobicContact CG-CG2 4.35Å; K958-E1120 IonicContact NZ-OE1 2.73Å
959	G	96.4	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-41.5	174.7	0	0	0	0	0	113.1	Q955 I956 Y962 L963	Q955-G959 PolarHBondContact O-N 3.15Å; I956-G959 PolarHBondContact O-N 2.96Å; G959-Y962 WeakPolarHBondContact O-CB 3.18Å; G959-Y962 PolarHBondContact O-N 2.9Å; G959-L963 WeakPolarHBondContact O-CG 3.46Å; G959-L963 PolarHBondContact O-N 2.8Å
960	M	98	Very high	94.4	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-73.6	-31.5	178.4	-69	-57.8	-58.4	0	0	113.8	I956 C957 K958 L963 G964 H970 L973 I988 D1032 F1112	I956-M960 HydrophobicContact CG2-CG 4.41Å; I956-M960 WeakPolarHBondContact O-CB 3.35Å; I956-M960 WeakPolarHBondContact O-CG 3.32Å; I956-M960 PolarHBondContact O-N 2.85Å; C957-M960 PolarHBondContact O-N 3.13Å; K958-M960 PolarHBondContact O-N 3.05Å; M960-L963 HydrophobicContact CE-CD1 4.42Å; M960-L963 PolarHBondContact O-N 2.84Å; M960-L963 HydrophobicContact SD-CD1 3.77Å; M960-G964 PolarHBondContact O-N 3.31Å; M960-H970 HydrophobicContact CE-CB 3.87Å; M960-H970 HydrophobicContact SD-CB 4.27Å; M960-L973 HydrophobicContact CE-CD2 4.17Å; M960-L973 HydrophobicContact CG-CD1 4.14Å; M960-L973 HydrophobicContact CG-CD2 3.82Å; M960-L973 HydrophobicContact SD-CD1 3.81Å; M960-L973 HydrophobicContact SD-CD2 4Å; M960-L973 HydrophobicContact SD-CG 4.41Å; M960-I988 HydrophobicContact CG-CD1 3.84Å; M960-I988 HydrophobicContact SD-CD1 3.86Å; M960-D1032 HydrophobicContact CE-CB 3.68Å; M960-D1032 WeakPolarHBondContact CE-OD2 3.48Å; M960-F1112 HydrophobicContact CB-CD1 3.68Å; M960-F1112 HydrophobicContact CB-CD2 3.72Å; M960-F1112 HydrophobicContact CB-CE1 3.55Å; M960-F1112 HydrophobicContact CB-CE2 3.61Å; M960-F1112 HydrophobicContact CB-CG 3.77Å; M960-F1112 HydrophobicContact CB-CZ 3.52Å; M960-F1112 HydrophobicContact CE-CE2 3.99Å; M960-F1112 HydrophobicContact CE-CZ 4.03Å; M960-F1112 HydrophobicContact CG-CE1 3.97Å; M960-F1112 HydrophobicContact CG-CE2 4.32Å; M960-F1112 HydrophobicContact CG-CZ 3.86Å
961	D	97.4	Very high	94.4	Very high	60 Å²	60	25.3 Å²	25.3	32%	0.321	13%	0.134	S	C	.	.	H	α-helix	trans	-64.6	-42.6	172.2	-166.1	61	0	0	0	110.6	C957 K958 G964 G965 F1112 K1113 I1116	C957-D961 WeakPolarHBondContact O-CB 3.47Å; C957-D961 PolarHBondContact O-N 3.03Å; K958-D961 PolarHBondContact O-N 3.27Å; D961-G964 PolarHBondContact O-N 3.23Å; D961-G965 PolarHBondContact O-N 2.73Å; D961-F1112 HydrophobicContact CB-CB 3.84Å; D961-K1113 WeakPolarHBondContact OD1-CB 3.49Å; D961-K1113 PolarHBondContact OD1-N 2.87Å; D961-I1116 HydrophobicContact CB-CD1 3.91Å
962	Y	95.2	Very high	94.5	Very high	50 Å²	50	24.9 Å²	24.9	20%	0.196	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-48.1	172.2	174.8	-94.6	0	0	0	112.1	L901 H902 H903 I906 K958 G959 G964 G965 K966	L901-Y962 HydrophobicContact CB-CE1 4.35Å; L901-Y962 HydrophobicContact CD2-CE1 3.81Å; H902-Y962 PolarHBondContact N-OH 2.86Å; H902-Y962 PolarHBondContact O-OH 3.02Å; H903-Y962 HydrophobicContact CB-CD1 3.82Å; H903-Y962 HydrophobicContact CB-CD2 4.34Å; H903-Y962 HydrophobicContact CB-CE1 3.95Å; H903-Y962 HydrophobicContact CB-CE2 4.46Å; H903-Y962 HydrophobicContact CB-CG 4.01Å; H903-Y962 AromaticContact CD2-CD2 3.93Å; H903-Y962 AromaticContact CD2-CG 3.84Å; I906-Y962 HydrophobicContact CD1-CD1 3.55Å; I906-Y962 HydrophobicContact CD1-CE1 3.9Å; K958-Y962 PolarHBondContact O-N 3.24Å; K958-Y962 VanDerWaalsContact O-N 3.08Å; G959-Y962 WeakPolarHBondContact O-CB 3.18Å; G959-Y962 PolarHBondContact O-N 2.9Å; Y962-G964 PolarHBondContact O-N 2.99Å; Y962-G965 PolarHBondContact O-N 2.71Å; Y962-K966 HydrophobicContact CE1-CG 4.24Å; Y962-K966 HydrophobicContact CE2-CG 4.44Å; Y962-K966 WeakPolarHBondContact O-CG 3.45Å; Y962-K966 PolarHBondContact O-N 3.4Å
963	L	94.2	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-45.1	176.4	-71.5	177.7	0	0	0	112.2	L901 I906 G959 M960 G965 K966 R967 Y968 F991	L901-L963 HydrophobicContact CD1-CD2 3.58Å; L901-L963 HydrophobicContact CD2-CD2 3.63Å; L901-L963 HydrophobicContact CG-CD2 4.24Å; I906-L963 HydrophobicContact CD1-CD1 4.5Å; I906-L963 HydrophobicContact CD1-CD2 3.78Å; I906-L963 HydrophobicContact CD1-CG 3.94Å; G959-L963 WeakPolarHBondContact O-CG 3.46Å; G959-L963 PolarHBondContact O-N 2.8Å; M960-L963 HydrophobicContact CE-CD1 4.42Å; M960-L963 PolarHBondContact O-N 2.84Å; M960-L963 HydrophobicContact SD-CD1 3.77Å; L963-G965 VanDerWaalsContact C-N 3.35Å; L963-G965 PolarHBondContact O-N 3.26Å; L963-K966 CarbonylContact O-C 3.55Å; L963-K966 WeakPolarHBondContact O-CA 3.41Å; L963-K966 PolarHBondContact O-N 3.32Å; L963-K966 VanDerWaalsContact O-N 3.13Å; L963-R967 PolarHBondContact O-N 3.4Å; L963-R967 VanDerWaalsContact O-N 3.11Å; L963-Y968 HydrophobicContact CD2-CD2 4.45Å; L963-Y968 PolarHBondContact O-N 3.31Å; L963-F991 HydrophobicContact CD1-CE1 4.02Å; L963-F991 HydrophobicContact CD2-CE1 3.97Å
964	G	92.6	Very high	94.5	Very high	21 Å²	21	24.9 Å²	24.9	22%	0.216	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-42	176.9	0	0	0	0	0	112.5	M960 D961 Y962 K966 R967	M960-G964 PolarHBondContact O-N 3.31Å; D961-G964 PolarHBondContact O-N 3.23Å; Y962-G964 PolarHBondContact O-N 2.99Å; G964-K966 VanDerWaalsContact C-N 3.27Å; G964-K966 PolarHBondContact O-N 3.22Å; G964-R967 WeakPolarHBondContact O-CA 3.12Å; G964-R967 PolarHBondContact O-N 3.21Å
965	G	89.9	Confident	94.5	Very high	68 Å²	68	24.9 Å²	24.9	70%	0.701	13%	0.133	S	C	*	.	H	α-helix	trans	-63.5	-31.3	174.3	0	0	0	0	0	113.5	D961 Y962 L963 R967	D961-G965 PolarHBondContact O-N 2.73Å; Y962-G965 PolarHBondContact O-N 2.71Å; L963-G965 VanDerWaalsContact C-N 3.35Å; L963-G965 PolarHBondContact O-N 3.26Å; G965-R967 VanDerWaalsContact C-N 3.26Å; G965-R967 PolarHBondContact O-N 3.02Å
966	K	88	Confident	94.4	Very high	110 Å²	110	27.9 Å²	27.9	48%	0.478	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.1	171.7	-68	-72.1	-173.1	171.3	0	113.6	Y962 L963 G964 Y968	Y962-K966 HydrophobicContact CE1-CG 4.24Å; Y962-K966 HydrophobicContact CE2-CG 4.44Å; Y962-K966 WeakPolarHBondContact O-CG 3.45Å; Y962-K966 PolarHBondContact O-N 3.4Å; L963-K966 CarbonylContact O-C 3.55Å; L963-K966 WeakPolarHBondContact O-CA 3.41Å; L963-K966 PolarHBondContact O-N 3.32Å; L963-K966 VanDerWaalsContact O-N 3.13Å; G964-K966 VanDerWaalsContact C-N 3.27Å; G964-K966 PolarHBondContact O-N 3.22Å; K966-Y968 VanDerWaalsContact C-N 3.3Å; K966-Y968 HydrophobicContact CB-CD2 3.56Å; K966-Y968 HydrophobicContact CB-CE2 3.79Å; K966-Y968 PolarHBondContact O-N 3.42Å
967	R	91.4	Very high	94.2	Very high	96 Å²	96	28.6 Å²	28.6	36%	0.362	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	32.2	-178.8	-58.6	-170.2	70.2	95.4	-0	114.1	L963 G964 G965 L997 P998 K1001	L963-R967 PolarHBondContact O-N 3.4Å; L963-R967 VanDerWaalsContact O-N 3.11Å; G964-R967 WeakPolarHBondContact O-CA 3.12Å; G964-R967 PolarHBondContact O-N 3.21Å; G965-R967 VanDerWaalsContact C-N 3.26Å; G965-R967 PolarHBondContact O-N 3.02Å; R967-L997 HydrophobicContact CB-CB 4.16Å; R967-L997 PolarHBondContact NE-O 3.29Å; R967-L997 PolarHBondContact O-N 2.92Å; R967-P998 PolarHBondContact NH2-O 2.69Å; R967-K1001 PolarHBondContact NH2-O 3.45Å
968	Y	93.4	Very high	94.2	Very high	36 Å²	36	28.6 Å²	28.6	14%	0.141	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.8	170.2	-66.4	-69.9	0	0	0	111.1	I897 S900 L901 L963 K966 T994 V996	I897-Y968 HydrophobicContact CB-CE1 4.32Å; I897-Y968 HydrophobicContact CD1-CD1 4.49Å; I897-Y968 HydrophobicContact CD1-CE1 4.4Å; I897-Y968 HydrophobicContact CG1-CD1 4.23Å; I897-Y968 HydrophobicContact CG1-CE1 3.73Å; I897-Y968 HydrophobicContact CG2-CD1 4.05Å; I897-Y968 HydrophobicContact CG2-CE1 3.98Å; S900-Y968 PolarHBondContact OG-OH 2.94Å; L901-Y968 HydrophobicContact CD2-CD2 3.8Å; L901-Y968 HydrophobicContact CD2-CE2 3.78Å; L963-Y968 HydrophobicContact CD2-CD2 4.45Å; L963-Y968 PolarHBondContact O-N 3.31Å; K966-Y968 VanDerWaalsContact C-N 3.3Å; K966-Y968 HydrophobicContact CB-CD2 3.56Å; K966-Y968 HydrophobicContact CB-CE2 3.79Å; K966-Y968 PolarHBondContact O-N 3.42Å; Y968-T994 HydrophobicContact CD1-CG2 4.2Å; Y968-T994 HydrophobicContact CG-CG2 4.47Å; Y968-V996 HydrophobicContact CD1-CG2 3.8Å; Y968-V996 HydrophobicContact CE1-CB 4.48Å; Y968-V996 HydrophobicContact CE1-CG2 3.36Å
969	I	93.6	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.9	169.2	-51.1	158	0	0	0	107.6	R971 T994 K995 L997 F1027 D1032	I969-R971 HydrophobicContact CB-CG 4.32Å; I969-R971 HydrophobicContact CG2-CG 3.71Å; I969-T994 CarbonylContact O-C 3.52Å; I969-T994 VanDerWaalsContact O-CA 3.24Å; I969-T994 WeakPolarHBondContact O-CA 3.49Å; I969-T994 VanDerWaalsContact O-CG2 3.32Å; I969-T994 WeakPolarHBondContact O-CG2 3.45Å; I969-K995 PolarHBondContact N-O 3.01Å; I969-K995 PolarHBondContact O-N 3.35Å; I969-L997 HydrophobicContact CD1-CD1 3.85Å; I969-L997 HydrophobicContact CD1-CD2 3.5Å; I969-L997 VanDerWaalsContact CD1-CD2 3.5Å; I969-L997 HydrophobicContact CD1-CG 3.42Å; I969-L997 VanDerWaalsContact CD1-CG 3.42Å; I969-L997 HydrophobicContact CG1-CD1 3.68Å; I969-L997 HydrophobicContact CG1-CD2 4.29Å; I969-L997 HydrophobicContact CG1-CG 3.69Å; I969-F1027 HydrophobicContact CD1-CB 4.29Å; I969-F1027 VanDerWaalsContact CD1-O 3.24Å; I969-F1027 WeakPolarHBondContact CD1-O 3.39Å; I969-F1027 HydrophobicContact CG2-CB 4.28Å; I969-D1032 WeakPolarHBondContact CA-OD2 3.22Å; I969-D1032 VanDerWaalsContact CG2-OD2 3.23Å; I969-D1032 WeakPolarHBondContact CG2-OD2 3.42Å
970	H	94.4	Very high	94	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.			trans	-72.4	-44.1	-174.2	-170.6	-45.9	0	0	0	112.4	M960 D972 I988 G989 D990 T994 D1032	M960-H970 HydrophobicContact CE-CB 3.87Å; M960-H970 HydrophobicContact SD-CB 4.27Å; H970-D972 PolarHBondContact CE1-O 2.8Å; H970-D972 PolarHBondContact ND1-N 3.32Å; H970-D972 VanDerWaalsContact ND1-N 3.2Å; H970-D972 PolarHBondContact O-N 3.15Å; H970-I988 WeakPolarHBondContact CD2-CG2 3.41Å; H970-I988 WeakPolarHBondContact NE2-CG2 3.47Å; H970-G989 PolarHBondContact NE2-O 3.33Å; H970-D990 PolarHBondContact CE1-O 3.11Å; H970-T994 PolarHBondContact O-OG1 2.9Å; H970-D1032 PolarHBondContact N-OD2 2.85Å
971	R	93.4	Very high	93.4	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.042	16%	0.159	C	C	.	.	S	Bend	trans	62.7	1.7	-179.7	-54.2	177.9	47.8	-130	-5	116.1	I969 L993 V1006 Y1017 F1027 D1032	I969-R971 HydrophobicContact CB-CG 4.32Å; I969-R971 HydrophobicContact CG2-CG 3.71Å; R971-L993 HydrophobicContact CB-CB 4.12Å; R971-L993 WeakPolarHBondContact CD-O 2.78Å; R971-L993 PolarHBondContact NH1-O 3.43Å; R971-V1006 VanDerWaalsContact CZ-CG2 3.41Å; R971-V1006 VanDerWaalsContact NH2-CG2 3.34Å; R971-Y1017 VanDerWaalsContact O-CE1 3.31Å; R971-Y1017 WeakPolarHBondContact O-CE1 3.42Å; R971-F1027 HydrophobicContact CB-CD1 4.22Å; R971-F1027 HydrophobicContact CB-CE1 4.44Å; R971-F1027 HydrophobicContact CG-CB 4.13Å; R971-F1027 HydrophobicContact CG-CD1 3.64Å; R971-F1027 HydrophobicContact CG-CE1 4.29Å; R971-F1027 HydrophobicContact CG-CG 3.98Å; R971-D1032 PolarHBondContact N-OD1 2.96Å
972	D	92.5	Very high	92.4	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.07	15%	0.15	C	C	.	.			trans	-144.1	43.2	174.1	-159.2	9.2	0	0	0	112.9	H970 A974 R976 N977 L993 P1013	H970-D972 PolarHBondContact CE1-O 2.8Å; H970-D972 PolarHBondContact ND1-N 3.32Å; H970-D972 VanDerWaalsContact ND1-N 3.2Å; H970-D972 PolarHBondContact O-N 3.15Å; D972-A974 PolarHBondContact O-N 2.89Å; D972-R976 IonicContact OD1-CZ 2.86Å; D972-R976 IonicContact OD1-NH2 3.47Å; D972-R976 PolarHBondContact OD1-NH2 2.83Å; D972-R976 IonicContact OD2-NH2 3.36Å; D972-R976 PolarHBondContact OD2-NH2 3.49Å; D972-R976 VanDerWaalsContact OD2-NH2 3.08Å; D972-N977 PolarHBondContact O-ND2 3.24Å; D972-N977 PolarHBondContact OD1-ND2 3.15Å; D972-N977 PolarHBondContact OD2-ND2 3.41Å; D972-L993 HydrophobicContact CB-CD1 4.14Å; D972-P1013 HydrophobicContact CB-CG 4.47Å; D972-P1013 WeakPolarHBondContact OD1-CB 3.48Å; D972-P1013 VanDerWaalsContact OD1-CG 3.24Å; D972-P1013 WeakPolarHBondContact OD1-CG 3.45Å
973	L	96.9	Very high	91.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.			trans	-75.9	104.5	177.9	-174.4	66.5	0	0	0	110.2	I956 M960 I978 F1036 V1039 F1112	I956-L973 HydrophobicContact CG2-CD1 4.03Å; I956-L973 HydrophobicContact CG2-CD2 4.48Å; M960-L973 HydrophobicContact CE-CD2 4.17Å; M960-L973 HydrophobicContact CG-CD1 4.14Å; M960-L973 HydrophobicContact CG-CD2 3.82Å; M960-L973 HydrophobicContact SD-CD1 3.81Å; M960-L973 HydrophobicContact SD-CD2 4Å; M960-L973 HydrophobicContact SD-CG 4.41Å; L973-I978 HydrophobicContact CD1-CD1 3.91Å; L973-F1036 HydrophobicContact CD2-CB 3.85Å; L973-F1036 HydrophobicContact CD2-CD2 4.43Å; L973-V1039 HydrophobicContact CG-CG2 4.14Å; L973-F1112 HydrophobicContact CD2-CZ 4.34Å
974	A	95.9	Very high	90.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-151	156.4	179.1	0	0	0	0	0	110.7	D972 R976 N977 I978 W1016	D972-A974 PolarHBondContact O-N 2.89Å; A974-R976 HydrophobicContact CB-CG 4.13Å; A974-R976 PolarHBondContact O-N 3Å; A974-N977 PolarHBondContact O-N 3.28Å; A974-I978 PolarHBondContact O-N 2.92Å; A974-W1016 HydrophobicContact CB-CD2 4.36Å; A974-W1016 HydrophobicContact CB-CG 4.34Å; A974-W1016 HydrophobicContact CB-CZ2 4.45Å
975	T	96.3	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.8	-178.1	60.6	0	0	0	0	114.8	L933 R934 N977 I978 V1039 E1042 L1043 S1047	L933-T975 PolarHBondContact N-O 2.93Å; R934-T975 PolarHBondContact N-O 3.47Å; R934-T975 VanDerWaalsContact N-O 3.09Å; T975-N977 VanDerWaalsContact C-N 3.3Å; T975-I978 PolarHBondContact O-N 2.77Å; T975-V1039 HydrophobicContact CG2-CG1 4.16Å; T975-E1042 HydrophobicContact CG2-CB 3.46Å; T975-E1042 VanDerWaalsContact CG2-CB 3.46Å; T975-E1042 HydrophobicContact CG2-CG 4.28Å; T975-E1042 PolarHBondContact N-OE2 3.25Å; T975-E1042 VanDerWaalsContact OG1-CD 3.32Å; T975-E1042 PolarHBondContact OG1-OE1 3.38Å; T975-L1043 HydrophobicContact CG2-CD2 4.33Å; T975-S1047 PolarHBondContact OG1-OG 3.38Å
976	R	93.4	Very high	90.8	Very high	72 Å²	72	33.8 Å²	33.8	27%	0.272	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.2	173.8	69	-179.5	-172.6	-79.5	-7.2	113.8	S932 R934 D972 A974	S932-R976 WeakPolarHBondContact CB-O 3.44Å; R934-R976 HydrophobicContact CB-CB 4.41Å; D972-R976 IonicContact OD1-CZ 2.86Å; D972-R976 IonicContact OD1-NH2 3.47Å; D972-R976 PolarHBondContact OD1-NH2 2.83Å; D972-R976 IonicContact OD2-NH2 3.36Å; D972-R976 PolarHBondContact OD2-NH2 3.49Å; D972-R976 VanDerWaalsContact OD2-NH2 3.08Å; A974-R976 HydrophobicContact CB-CG 4.13Å; A974-R976 PolarHBondContact O-N 3Å
977	N	94.1	Very high	91.3	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.6	179.2	-65.9	-14.3	0	0	0	112.1	D972 A974 T975 G989 D990	D972-N977 PolarHBondContact O-ND2 3.24Å; D972-N977 PolarHBondContact OD1-ND2 3.15Å; D972-N977 PolarHBondContact OD2-ND2 3.41Å; A974-N977 PolarHBondContact O-N 3.28Å; T975-N977 VanDerWaalsContact C-N 3.3Å; N977-G989 WeakPolarHBondContact O-CA 3.22Å; N977-G989 PolarHBondContact O-N 3.34Å; N977-D990 HydrophobicContact CB-CB 4.26Å
978	I	97.2	Very high	91.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.6	166.4	-53.6	-53.8	0	0	0	107.5	S932 L933 I956 L973 A974 T975 V986 K987 I988	S932-I978 CarbonylContact C-O 3.6Å; S932-I978 WeakPolarHBondContact CA-O 3.29Å; L933-I978 HydrophobicContact CB-CB 3.92Å; L933-I978 HydrophobicContact CB-CG2 3.98Å; L933-I978 WeakPolarHBondContact CB-O 3.33Å; L933-I978 HydrophobicContact CD2-CB 4.13Å; L933-I978 HydrophobicContact CD2-CG2 3.76Å; L933-I978 PolarHBondContact N-O 3.15Å; I956-I978 HydrophobicContact CD1-CD1 4.44Å; I956-I978 HydrophobicContact CD1-CG1 4.07Å; I956-I978 HydrophobicContact CD1-CG2 4.24Å; I956-I978 HydrophobicContact CG1-CD1 4.17Å; I956-I978 HydrophobicContact CG1-CG1 4.31Å; I956-I978 HydrophobicContact CG1-CG2 4.25Å; I956-I978 HydrophobicContact CG2-CD1 4.41Å; L973-I978 HydrophobicContact CD1-CD1 3.91Å; A974-I978 PolarHBondContact O-N 2.92Å; T975-I978 PolarHBondContact O-N 2.77Å; I978-V986 HydrophobicContact CG2-CB 3.69Å; I978-V986 HydrophobicContact CG2-CG1 4.36Å; I978-V986 HydrophobicContact CG2-CG2 3.97Å; I978-K987 CarbonylContact C-O 3.41Å; I978-K987 WeakPolarHBondContact CA-O 3.34Å; I978-I988 HydrophobicContact CD1-CB 4.19Å; I978-I988 HydrophobicContact CD1-CG1 3.7Å; I978-I988 HydrophobicContact CD1-CG2 4.26Å
979	L	95.3	Very high	91.5	Very high	47 Å²	47	22.6 Å²	22.6	25%	0.246	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.3	178.6	-57.8	-176.8	0	0	0	110.6	V907 L928 G931 V986 K987	V907-L979 HydrophobicContact CG2-CD1 3.74Å; V907-L979 HydrophobicContact CG2-CG 4.41Å; L928-L979 HydrophobicContact CB-CB 4.44Å; L928-L979 HydrophobicContact CD1-CB 3.4Å; L928-L979 VanDerWaalsContact CD1-CB 3.4Å; L928-L979 HydrophobicContact CD1-CD1 3.83Å; L928-L979 HydrophobicContact CD1-CG 4.26Å; G931-L979 CarbonylContact O-C 3.51Å; G931-L979 WeakPolarHBondContact O-CA 3.44Å; L979-V986 CarbonylContact O-C 3.52Å; L979-V986 VanDerWaalsContact O-CA 3.29Å; L979-V986 WeakPolarHBondContact O-CA 3.26Å; L979-K987 PolarHBondContact N-O 2.87Å; L979-K987 PolarHBondContact O-N 2.86Å
980	V	91.3	Very high	91.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.1	-179.7	-177.8	0	0	0	0	109	F930 G931 L933 Y936 S982 V986	F930-V980 HydrophobicContact CB-CB 3.58Å; F930-V980 HydrophobicContact CB-CG1 3.7Å; F930-V980 WeakPolarHBondContact CB-O 3.46Å; F930-V980 HydrophobicContact CD2-CG1 4.27Å; F930-V980 HydrophobicContact CG-CB 4.42Å; F930-V980 HydrophobicContact CG-CG1 4.01Å; G931-V980 PolarHBondContact O-N 2.85Å; L933-V980 HydrophobicContact CB-CG2 4.03Å; L933-V980 HydrophobicContact CD1-CG2 3.79Å; Y936-V980 HydrophobicContact CD1-CG2 4.13Å; Y936-V980 HydrophobicContact CD2-CG1 4.29Å; Y936-V980 HydrophobicContact CD2-CG2 4.44Å; Y936-V980 HydrophobicContact CE2-CG1 4.31Å; Y936-V980 HydrophobicContact CG-CG1 4.43Å; Y936-V980 HydrophobicContact CG-CG2 3.91Å; V980-S982 WeakPolarHBondContact CG1-O 3.45Å; V980-V986 HydrophobicContact CG2-CG1 4.18Å
981	E	84.6	Confident	90.9	Very high	43 Å²	43	25.3 Å²	25.3	20%	0.201	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-38	175.2	177.2	178.5	-137.6	0	0	111.4	L928 R985 K987	L928-E981 HydrophobicContact CD2-CB 3.9Å; L928-E981 HydrophobicContact CD2-CG 4Å; E981-R985 HydrophobicContact CB-CB 4.42Å; E981-R985 PolarHBondContact N-O 2.99Å; E981-R985 WeakPolarHBondContact OE2-CD 3.28Å; E981-R985 WeakPolarHBondContact OE2-CG 3.47Å; E981-K987 VanDerWaalsContact CD-NZ 3.31Å; E981-K987 VanDerWaalsContact OE1-CE 3.26Å; E981-K987 WeakPolarHBondContact OE1-CE 3.4Å; E981-K987 IonicContact OE1-NZ 2.83Å; E981-K987 PolarHBondContact OE1-NZ 2.84Å; E981-K987 WeakPolarHBondContact OE2-CE 3.14Å; E981-K987 IonicContact OE2-NZ 3.37Å; E981-K987 PolarHBondContact OE2-NZ 3.42Å
982	S	77.4	Confident	90.5	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	172	174.4	65	0	0	0	0	109.6	V980 M984 R985	V980-S982 WeakPolarHBondContact CG1-O 3.45Å; S982-M984 PolarHBondContact O-N 2.58Å; S982-R985 PolarHBondContact N-O 3.44Å; S982-R985 PolarHBondContact O-N 3.11Å; S982-R985 VanDerWaalsContact O-O 3.07Å; S982-R985 WeakPolarHBondContact OG-CB 3.36Å; S982-R985 PolarHBondContact OG-N 3.06Å
983	E	77.9	Confident	90.1	Very high	90 Å²	90	26.4 Å²	26.4	42%	0.421	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-30.3	175.9	-66.7	-151.7	-176.3	0	0	113.7	K948 Y952	K948-E983 WeakPolarHBondContact CE-O 3.5Å; K948-E983 IonicContact NZ-OE2 3.68Å; K948-E983 PolarHBondContact NZ-OE2 3.21Å; Y952-E983 WeakPolarHBondContact CE1-O 3.47Å; Y952-E983 PolarHBondContact OH-O 3.24Å
984	M	79.4	Confident	89.7	Confident	100 Å²	100	26.5 Å²	26.5	49%	0.493	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	8.2	-178.1	-61.2	-57.3	-67.4	0	0	113.2	H951 Q955 S982	H951-M984 PolarHBondContact NE2-O 2.91Å; H951-M984 VanDerWaalsContact NE2-O 3.15Å; Q955-M984 PolarHBondContact NE2-O 3.4Å; S982-M984 PolarHBondContact O-N 2.58Å
985	R	86.1	Confident	89.4	Confident	53 Å²	53	27.3 Å²	27.3	20%	0.2	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	125.3	-172.8	-163.3	169.4	-78.2	-93.7	12.5	113.9	E904 E981 S982	E904-R985 VanDerWaalsContact CB-NH1 3.3Å; E904-R985 IonicContact OE2-CZ 2.67Å; E904-R985 IonicContact OE2-NH1 3.82Å; E904-R985 PolarHBondContact OE2-NH1 2.81Å; E904-R985 IonicContact OE2-NH2 3.38Å; E904-R985 PolarHBondContact OE2-NH2 2.84Å; E981-R985 HydrophobicContact CB-CB 4.42Å; E981-R985 PolarHBondContact N-O 2.99Å; E981-R985 WeakPolarHBondContact OE2-CD 3.28Å; E981-R985 WeakPolarHBondContact OE2-CG 3.47Å; S982-R985 PolarHBondContact N-O 3.44Å; S982-R985 PolarHBondContact O-N 3.11Å; S982-R985 VanDerWaalsContact O-O 3.07Å; S982-R985 WeakPolarHBondContact OG-CB 3.36Å; S982-R985 PolarHBondContact OG-N 3.06Å
986	V	95.3	Very high	89	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.7	173.7	-57.9	0	0	0	0	112.2	N905 L933 Y952 Q955 I956 I978 L979 V980	N905-V986 PolarHBondContact ND2-O 3.04Å; L933-V986 HydrophobicContact CD1-CG1 4.32Å; L933-V986 HydrophobicContact CD2-CG1 4.4Å; Y952-V986 HydrophobicContact CD1-CG1 3.52Å; Y952-V986 HydrophobicContact CD1-CG2 4.32Å; Y952-V986 HydrophobicContact CE1-CG1 3.78Å; Y952-V986 HydrophobicContact CG-CG1 3.95Å; Q955-V986 HydrophobicContact CB-CG2 3.88Å; I956-V986 HydrophobicContact CG1-CG2 4Å; I978-V986 HydrophobicContact CG2-CB 3.69Å; I978-V986 HydrophobicContact CG2-CG1 4.36Å; I978-V986 HydrophobicContact CG2-CG2 3.97Å; L979-V986 CarbonylContact O-C 3.52Å; L979-V986 VanDerWaalsContact O-CA 3.29Å; L979-V986 WeakPolarHBondContact O-CA 3.26Å; V980-V986 HydrophobicContact CG2-CG1 4.18Å
987	K	97.1	Very high	88.6	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.4	-179.3	-59.3	-165.9	-175	178.8	0	111.7	E904 N905 V907 E926 L928 I978 L979 E981	E904-K987 WeakPolarHBondContact O-CE 3.2Å; N905-K987 CarbonylContact O-C 3.52Å; N905-K987 WeakPolarHBondContact O-CA 3.37Å; V907-K987 HydrophobicContact CG2-CB 4.09Å; E926-K987 VanDerWaalsContact CD-NZ 3.28Å; E926-K987 VanDerWaalsContact OE1-CD 3.28Å; E926-K987 WeakPolarHBondContact OE1-CD 3.49Å; E926-K987 IonicContact OE1-NZ 3.45Å; E926-K987 PolarHBondContact OE1-NZ 2.64Å; E926-K987 IonicContact OE2-NZ 3.07Å; E926-K987 PolarHBondContact OE2-NZ 2.78Å; L928-K987 HydrophobicContact CD1-CB 4.31Å; L928-K987 HydrophobicContact CD1-CD 4.24Å; I978-K987 CarbonylContact C-O 3.41Å; I978-K987 WeakPolarHBondContact CA-O 3.34Å; L979-K987 PolarHBondContact N-O 2.87Å; L979-K987 PolarHBondContact O-N 2.86Å; E981-K987 VanDerWaalsContact CD-NZ 3.31Å; E981-K987 VanDerWaalsContact OE1-CE 3.26Å; E981-K987 WeakPolarHBondContact OE1-CE 3.4Å; E981-K987 IonicContact OE1-NZ 2.83Å; E981-K987 PolarHBondContact OE1-NZ 2.84Å; E981-K987 WeakPolarHBondContact OE2-CE 3.14Å; E981-K987 IonicContact OE2-NZ 3.37Å; E981-K987 PolarHBondContact OE2-NZ 3.42Å
988	I	97.2	Very high	88.1	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.3	175.7	-56.5	165.8	0	0	0	108.7	N905 V907 M960 H970 I978 F991	N905-I988 WeakPolarHBondContact O-CG1 3.32Å; N905-I988 PolarHBondContact O-N 2.8Å; V907-I988 WeakPolarHBondContact CG2-O 3.35Å; V907-I988 PolarHBondContact N-O 3.42Å; M960-I988 HydrophobicContact CG-CD1 3.84Å; M960-I988 HydrophobicContact SD-CD1 3.86Å; H970-I988 WeakPolarHBondContact CD2-CG2 3.41Å; H970-I988 WeakPolarHBondContact NE2-CG2 3.47Å; I978-I988 HydrophobicContact CD1-CB 4.19Å; I978-I988 HydrophobicContact CD1-CG1 3.7Å; I978-I988 HydrophobicContact CD1-CG2 4.26Å; I988-F991 HydrophobicContact CG2-CZ 4.43Å
989	G	92.1	Very high	87.1	Confident	4 Å²	4	38.2 Å²	38.2	4%	0.041	20%	0.2	C	C	.	.			trans	-129.6	-176.6	177.8	0	0	0	0	0	112.6	H970 N977	H970-G989 PolarHBondContact NE2-O 3.33Å; N977-G989 WeakPolarHBondContact O-CA 3.22Å; N977-G989 PolarHBondContact O-N 3.34Å
990	D	87.3	Confident	86.5	Confident	57 Å²	57	42.1 Å²	42.1	31%	0.305	22%	0.221	S	C	.	.			trans	58.3	88.1	-178.5	-158.6	4.2	0	0	0	115	K878 H970 N977	K878-D990 IonicContact NZ-OD1 3.04Å; K878-D990 PolarHBondContact NZ-OD1 3.08Å; H970-D990 PolarHBondContact CE1-O 3.11Å; N977-D990 HydrophobicContact CB-CB 4.26Å
991	F	88.9	Confident	86.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.009	24%	0.242	C	C	.	.			trans	-99	13.9	-175.5	-70.5	-98.2	0	0	0	112.7	E894 I897 L898 L901 I906 L963 I988 L993 T994	E894-F991 HydrophobicContact CG-CB 3.85Å; E894-F991 PolarHBondContact OE1-N 3.31Å; I897-F991 HydrophobicContact CG2-CD1 3.97Å; L898-F991 HydrophobicContact CD1-CD2 3.62Å; L898-F991 HydrophobicContact CD1-CE2 3.48Å; L898-F991 VanDerWaalsContact CD1-CE2 3.48Å; L898-F991 HydrophobicContact CD1-CG 4.37Å; L898-F991 HydrophobicContact CD1-CZ 4.16Å; L901-F991 HydrophobicContact CD1-CD1 3.93Å; L901-F991 HydrophobicContact CD1-CE1 3.4Å; L901-F991 HydrophobicContact CD1-CZ 3.8Å; I906-F991 HydrophobicContact CG2-CE2 4.05Å; I906-F991 HydrophobicContact CG2-CZ 3.7Å; L963-F991 HydrophobicContact CD1-CE1 4.02Å; L963-F991 HydrophobicContact CD2-CE1 3.97Å; I988-F991 HydrophobicContact CG2-CZ 4.43Å; F991-L993 PolarHBondContact O-N 2.91Å; F991-T994 WeakPolarHBondContact CA-OG1 3.3Å; F991-T994 HydrophobicContact CD1-CG2 4.15Å; F991-T994 WeakPolarHBondContact CD1-OG1 3.38Å; F991-T994 VanDerWaalsContact O-CB 3.3Å; F991-T994 WeakPolarHBondContact O-CB 3.13Å; F991-T994 PolarHBondContact O-N 3.45Å; F991-T994 PolarHBondContact O-OG1 3.37Å
992	G	83.5	Confident	86.1	Confident	22 Å²	22	52.6 Å²	52.6	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.1	-174.6	0	0	0	0	0	114.3	E894	E894-G992 PolarHBondContact OE1-N 3.45Å; E894-G992 WeakPolarHBondContact OE2-CA 3.47Å
993	L	84.8	Confident	86.6	Confident	25 Å²	25	56.6 Å²	56.6	13%	0.131	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-4	176	-62.6	-172.3	0	0	0	113.8	F856 R971 D972 F991	F856-L993 HydrophobicContact CE1-CD2 4.48Å; F856-L993 HydrophobicContact CZ-CD2 4.38Å; R971-L993 HydrophobicContact CB-CB 4.12Å; R971-L993 WeakPolarHBondContact CD-O 2.78Å; R971-L993 PolarHBondContact NH1-O 3.43Å; D972-L993 HydrophobicContact CB-CD1 4.14Å; F991-L993 PolarHBondContact O-N 2.91Å
994	T	89.4	Confident	87.1	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	27%	0.273	C	S	.	.			trans	-65.9	140.1	-173	-58.1	0	0	0	0	111.8	I897 Y968 I969 H970 F991	I897-T994 HydrophobicContact CD1-CG2 3.95Å; I897-T994 HydrophobicContact CG2-CG2 3.98Å; Y968-T994 HydrophobicContact CD1-CG2 4.2Å; Y968-T994 HydrophobicContact CG-CG2 4.47Å; I969-T994 CarbonylContact O-C 3.52Å; I969-T994 VanDerWaalsContact O-CA 3.24Å; I969-T994 WeakPolarHBondContact O-CA 3.49Å; I969-T994 VanDerWaalsContact O-CG2 3.32Å; I969-T994 WeakPolarHBondContact O-CG2 3.45Å; H970-T994 PolarHBondContact O-OG1 2.9Å; F991-T994 WeakPolarHBondContact CA-OG1 3.3Å; F991-T994 HydrophobicContact CD1-CG2 4.15Å; F991-T994 WeakPolarHBondContact CD1-OG1 3.38Å; F991-T994 VanDerWaalsContact O-CB 3.3Å; F991-T994 WeakPolarHBondContact O-CB 3.13Å; F991-T994 PolarHBondContact O-N 3.45Å; F991-T994 PolarHBondContact O-OG1 3.37Å
995	K	88.6	Confident	87.5	Confident	17 Å²	17	53.3 Å²	53.3	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.7	179	-61.2	-70.2	176.1	170.5	0	111.4	D890 I969 Y1004	D890-K995 IonicContact OD1-NZ 2.72Å; I969-K995 PolarHBondContact N-O 3.01Å; I969-K995 PolarHBondContact O-N 3.35Å; K995-Y1004 HydrophobicContact CB-CD1 4.01Å; K995-Y1004 HydrophobicContact CB-CD2 4.29Å; K995-Y1004 HydrophobicContact CB-CE1 4.15Å; K995-Y1004 HydrophobicContact CB-CE2 4.43Å; K995-Y1004 HydrophobicContact CB-CG 4.08Å; K995-Y1004 HydrophobicContact CD-CE1 3.89Å; K995-Y1004 HydrophobicContact CD-CE2 4.44Å; K995-Y1004 HydrophobicContact CG-CD1 3.89Å; K995-Y1004 HydrophobicContact CG-CE1 3.62Å; K995-Y1004 HydrophobicContact CG-CG 4.44Å
996	V	87.8	Confident	87.3	Confident	74 Å²	74	52 Å²	52	45%	0.448	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.5	172.3	-179.5	0	0	0	0	109.3	Y968 P998	Y968-V996 HydrophobicContact CD1-CG2 3.8Å; Y968-V996 HydrophobicContact CE1-CB 4.48Å; Y968-V996 HydrophobicContact CE1-CG2 3.36Å; V996-P998 WeakPolarHBondContact O-CD 3.46Å
997	L	86.1	Confident	86.1	Confident	10 Å²	10	63 Å²	63	5%	0.052	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-78.1	120.3	169.1	-83.8	166.5	0	0	0	110.7	R967 I969 Y1003 V1029	R967-L997 HydrophobicContact CB-CB 4.16Å; R967-L997 PolarHBondContact NE-O 3.29Å; R967-L997 PolarHBondContact O-N 2.92Å; I969-L997 HydrophobicContact CD1-CD1 3.85Å; I969-L997 HydrophobicContact CD1-CD2 3.5Å; I969-L997 VanDerWaalsContact CD1-CD2 3.5Å; I969-L997 HydrophobicContact CD1-CG 3.42Å; I969-L997 VanDerWaalsContact CD1-CG 3.42Å; I969-L997 HydrophobicContact CG1-CD1 3.68Å; I969-L997 HydrophobicContact CG1-CD2 4.29Å; I969-L997 HydrophobicContact CG1-CG 3.69Å; L997-Y1003 VanDerWaalsContact CD2-C 3.48Å; L997-V1029 HydrophobicContact CD1-CG2 4.01Å
998	P	83.1	Confident	84.4	Confident	49 Å²	49	68.2 Å²	68.2	32%	0.318	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-54.4	146.9	172	-24.4	35.1	0	0	0	111.6	R967 V996 D1000 K1001	R967-P998 PolarHBondContact NH2-O 2.69Å; V996-P998 WeakPolarHBondContact O-CD 3.46Å; P998-D1000 WeakPolarHBondContact CB-OD1 3.49Å; P998-D1000 PolarHBondContact O-N 3.38Å; P998-K1001 HydrophobicContact CB-CB 4.24Å; P998-K1001 HydrophobicContact CB-CD 4.37Å; P998-K1001 HydrophobicContact CB-CG 4.33Å; P998-K1001 HydrophobicContact CG-CB 4.48Å; P998-K1001 HydrophobicContact CG-CD 4.29Å; P998-K1001 PolarHBondContact O-N 3.14Å; P998-K1001 VanDerWaalsContact O-N 3.12Å; P998-K1001 VanDerWaalsContact O-O 3.12Å
999	Q	77.1	Confident	82.5	Confident	184 Å²	184	74.7 Å²	74.7	86%	0.86	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-33.2	-174.2	-75.9	180	-9.4	0	0	113.1
1000	D	81.5	Confident	81.1	Confident	130 Å²	130	77.2 Å²	77.2	70%	0.695	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0.2	-177.6	64.9	-45.9	0	0	0	114	P998	P998-D1000 WeakPolarHBondContact CB-OD1 3.49Å; P998-D1000 PolarHBondContact O-N 3.38Å
1001	K	83.6	Confident	80.1	Confident	104 Å²	104	80 Å²	80	45%	0.452	41%	0.409	S	S	.	.			trans	-127.9	143.3	-173.3	-62.9	-175.4	-176.6	176.3	0	112.9	R967 P998	R967-K1001 PolarHBondContact NH2-O 3.45Å; P998-K1001 HydrophobicContact CB-CB 4.24Å; P998-K1001 HydrophobicContact CB-CD 4.37Å; P998-K1001 HydrophobicContact CB-CG 4.33Å; P998-K1001 HydrophobicContact CG-CB 4.48Å; P998-K1001 HydrophobicContact CG-CD 4.29Å; P998-K1001 PolarHBondContact O-N 3.14Å; P998-K1001 VanDerWaalsContact O-N 3.12Å; P998-K1001 VanDerWaalsContact O-O 3.12Å
1002	E	83.9	Confident	79.6	Confident	159 Å²	159	82 Å²	82	74%	0.743	42%	0.424	S	S	*	.	S	Bend	trans	-91.6	-9.9	175.8	-61.8	-174.9	164.7	0	0	112.9	S1028	E1002-S1028 WeakPolarHBondContact O-CB 3.4Å
1003	Y	88.3	Confident	79.8	Confident	102 Å²	102	81.7 Å²	81.7	40%	0.4	42%	0.417	S	S	.	.			trans	-143.9	156.1	179.2	66.4	-91.2	0	0	0	111.9	L997 T1005 K1026 F1027	L997-Y1003 VanDerWaalsContact CD2-C 3.48Å; Y1003-T1005 WeakPolarHBondContact CE2-OG1 3.34Å; Y1003-K1026 HydrophobicContact CD2-CB 4.16Å; Y1003-K1026 HydrophobicContact CD2-CD 3.88Å; Y1003-K1026 HydrophobicContact CD2-CG 3.69Å; Y1003-K1026 HydrophobicContact CE2-CD 3.81Å; Y1003-K1026 HydrophobicContact CE2-CG 3.87Å; Y1003-K1026 HydrophobicContact CG-CD 4.35Å; Y1003-K1026 HydrophobicContact CG-CG 4.44Å; Y1003-F1027 CarbonylContact C-O 3.51Å; Y1003-F1027 WeakPolarHBondContact CA-O 3.4Å; Y1003-F1027 WeakPolarHBondContact CB-O 3.37Å
1004	Y	87.9	Confident	80.1	Confident	67 Å²	67	82.2 Å²	82.2	26%	0.263	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.5	171.7	179.9	-93.7	0	0	0	109.5	K995 V1006 K1026 F1027	K995-Y1004 HydrophobicContact CB-CD1 4.01Å; K995-Y1004 HydrophobicContact CB-CD2 4.29Å; K995-Y1004 HydrophobicContact CB-CE1 4.15Å; K995-Y1004 HydrophobicContact CB-CE2 4.43Å; K995-Y1004 HydrophobicContact CB-CG 4.08Å; K995-Y1004 HydrophobicContact CD-CE1 3.89Å; K995-Y1004 HydrophobicContact CD-CE2 4.44Å; K995-Y1004 HydrophobicContact CG-CD1 3.89Å; K995-Y1004 HydrophobicContact CG-CE1 3.62Å; K995-Y1004 HydrophobicContact CG-CG 4.44Å; Y1004-V1006 HydrophobicContact CD1-CG2 3.89Å; Y1004-V1006 HydrophobicContact CE1-CB 4.44Å; Y1004-V1006 HydrophobicContact CE1-CG2 3.68Å; Y1004-K1026 WeakPolarHBondContact O-CA 3.5Å; Y1004-F1027 PolarHBondContact N-O 3.18Å; Y1004-F1027 PolarHBondContact O-N 2.93Å
1005	T	87.4	Confident	80.3	Confident	54 Å²	54	83.5 Å²	83.5	33%	0.331	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.4	175.4	-58.1	0	0	0	0	110.2	Y1003 S1025	Y1003-T1005 WeakPolarHBondContact CE2-OG1 3.34Å; T1005-S1025 VanDerWaalsContact CA-O 3.32Å; T1005-S1025 WeakPolarHBondContact CA-O 3.42Å
1006	V	82	Confident	80.7	Confident	26 Å²	26	83.7 Å²	83.7	16%	0.158	43%	0.426	C	S	.	.			trans	-80.1	129.6	175.7	179.4	0	0	0	0	108.8	R971 Y1004 S1025 F1027	R971-V1006 VanDerWaalsContact CZ-CG2 3.41Å; R971-V1006 VanDerWaalsContact NH2-CG2 3.34Å; Y1004-V1006 HydrophobicContact CD1-CG2 3.89Å; Y1004-V1006 HydrophobicContact CE1-CB 4.44Å; Y1004-V1006 HydrophobicContact CE1-CG2 3.68Å; V1006-S1025 PolarHBondContact N-O 3.42Å; V1006-S1025 VanDerWaalsContact O-CB 3.32Å; V1006-S1025 WeakPolarHBondContact O-CB 3.49Å; V1006-F1027 HydrophobicContact CB-CD2 4.39Å; V1006-F1027 HydrophobicContact CB-CE2 4.02Å; V1006-F1027 HydrophobicContact CG2-CD2 3.48Å; V1006-F1027 VanDerWaalsContact CG2-CD2 3.48Å; V1006-F1027 HydrophobicContact CG2-CE2 3.39Å; V1006-F1027 HydrophobicContact CG2-CZ 4.39Å
1007	R	70.8	Confident	81.1	Confident	233 Å²	233	80.7 Å²	80.7	88%	0.879	41%	0.406	S	S	*	.			trans	-105.8	-17.1	-175.6	-63.1	-175.4	178.7	-171	-2	113.9
1008	E	61	Low	81.5	Confident	111 Å²	111	80.2 Å²	80.2	52%	0.519	40%	0.404	S	S	.	.	S	Bend	trans	-108.1	136.4	-174.2	-73.5	155.3	179.5	0	0	110.9	E886	E886-E1008 VanDerWaalsContact OE1-CD 3.24Å
1009	P	56.5	Low	82	Confident	137 Å²	137	78.9 Å²	78.9	89%	0.89	40%	0.395	S	S	*	.			trans	-74.1	125	174.9	27.8	-30	0	0	0	110.7
1010	G	63.6	Low	82.8	Confident	57 Å²	57	71 Å²	71	59%	0.588	36%	0.358	S	S	*	.			trans	-146.7	163.8	174.5	0	0	0	0	0	111.3	S1012	G1010-S1012 PolarHBondContact O-N 3.07Å; G1010-S1012 PolarHBondContact O-OG 2.87Å
1011	E	65.7	Low	83.4	Confident	114 Å²	114	65.1 Å²	65.1	53%	0.533	33%	0.327	S	S	.	.			trans	-60.7	128.8	175.6	-68.4	-173.2	166.2	0	0	110.2	N855 F856	N855-E1011 WeakPolarHBondContact CB-OE2 3.3Å; N855-E1011 PolarHBondContact ND2-OE1 3.27Å; N855-E1011 PolarHBondContact ND2-OE2 3.01Å; F856-E1011 HydrophobicContact CZ-CB 4.13Å
1012	S	79.1	Confident	83.8	Confident	46 Å²	46	61.2 Å²	61.2	32%	0.322	31%	0.311	S	S	.	.			trans	-135.2	144.5	-171.7	-78	0	0	0	0	110.2	G1010 I1014 Y1017	G1010-S1012 PolarHBondContact O-N 3.07Å; G1010-S1012 PolarHBondContact O-OG 2.87Å; S1012-I1014 PolarHBondContact O-N 2.88Å; S1012-Y1017 VanDerWaalsContact CB-CE2 3.45Å; S1012-Y1017 WeakPolarHBondContact CB-OH 3.33Å; S1012-Y1017 PolarHBondContact OG-OH 3.22Å
1013	P	88.4	Confident	84	Confident	14 Å²	14	56.7 Å²	56.7	9%	0.091	30%	0.295	C	S	.	.			trans	-74	67	176.1	35.8	-42.3	0	0	0	111	D972 F1015 W1016 Y1017	D972-P1013 HydrophobicContact CB-CG 4.47Å; D972-P1013 WeakPolarHBondContact OD1-CB 3.48Å; D972-P1013 VanDerWaalsContact OD1-CG 3.24Å; D972-P1013 WeakPolarHBondContact OD1-CG 3.45Å; P1013-F1015 PolarHBondContact O-N 2.88Å; P1013-W1016 HydrophobicContact CB-CB 4.47Å; P1013-W1016 HydrophobicContact CB-CE3 4.17Å; P1013-W1016 PolarHBondContact O-N 2.9Å; P1013-Y1017 HydrophobicContact CG-CD1 4.06Å; P1013-Y1017 HydrophobicContact CG-CE1 3.47Å; P1013-Y1017 VanDerWaalsContact CG-CE1 3.47Å
1014	I	90.5	Very high	84.1	Confident	37 Å²	37	56.6 Å²	56.6	19%	0.19	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-54.6	-30.4	-168.8	59.7	172.1	0	0	0	114	S1012 W1016 Y1017 L1022 I1070 V1071 L1074	S1012-I1014 PolarHBondContact O-N 2.88Å; I1014-W1016 VanDerWaalsContact C-N 3.26Å; I1014-W1016 PolarHBondContact O-N 2.85Å; I1014-Y1017 PolarHBondContact O-N 2.88Å; I1014-L1022 HydrophobicContact CB-CD2 4.03Å; I1014-L1022 HydrophobicContact CG2-CD2 4.24Å; I1014-I1070 HydrophobicContact CD1-CG2 3.93Å; I1014-V1071 HydrophobicContact CB-CG2 4.46Å; I1014-V1071 HydrophobicContact CD1-CG2 3.72Å; I1014-V1071 HydrophobicContact CG2-CG2 4.03Å; I1014-L1074 HydrophobicContact CB-CD2 4.46Å; I1014-L1074 WeakPolarHBondContact O-CD2 3.34Å
1015	F	94.3	Very high	84.2	Confident	29 Å²	29	55.8 Å²	55.8	13%	0.127	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-75.2	-10.7	178.6	-57.6	-72.8	0	0	0	114.3	P1013 P1053 P1054 F1057 M1058 I1070 L1074	P1013-F1015 PolarHBondContact O-N 2.88Å; F1015-P1053 HydrophobicContact CB-CB 4.39Å; F1015-P1054 HydrophobicContact CB-CG 4.48Å; F1015-P1054 HydrophobicContact CD2-CB 3.8Å; F1015-P1054 HydrophobicContact CD2-CG 3.67Å; F1015-P1054 HydrophobicContact CE2-CB 3.75Å; F1015-P1054 HydrophobicContact CE2-CG 4.11Å; F1015-P1054 HydrophobicContact CG-CB 4.31Å; F1015-P1054 HydrophobicContact CG-CG 4.17Å; F1015-P1054 HydrophobicContact CZ-CB 4.23Å; F1015-F1057 HydrophobicContact CB-CD2 4.42Å; F1015-F1057 HydrophobicContact CD1-CB 3.85Å; F1015-F1057 AromaticContact CD1-CD2 3.78Å; F1015-F1057 HydrophobicContact CD1-CD2 3.78Å; F1015-F1057 HydrophobicContact CD1-CG 4.11Å; F1015-F1057 HydrophobicContact CE1-CB 3.83Å; F1015-M1058 HydrophobicContact CZ-CG 4.22Å; F1015-M1058 HydrophobicContact CZ-SD 4.22Å; F1015-I1070 HydrophobicContact CE1-CG2 4.34Å; F1015-I1070 HydrophobicContact CZ-CG2 4.01Å; F1015-L1074 HydrophobicContact CD1-CD1 4.39Å; F1015-L1074 HydrophobicContact CD1-CD2 4.07Å; F1015-L1074 HydrophobicContact CE1-CD2 4.49Å
1016	W	96.1	Very high	84.5	Confident	21 Å²	21	56 Å²	56	8%	0.08	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-102.5	-8.5	173.8	-74.2	-106	0	0	0	112.3	A974 P1013 I1014 W1034 S1035 V1038 E1042 P1053 P1054	A974-W1016 HydrophobicContact CB-CD2 4.36Å; A974-W1016 HydrophobicContact CB-CG 4.34Å; A974-W1016 HydrophobicContact CB-CZ2 4.45Å; P1013-W1016 HydrophobicContact CB-CB 4.47Å; P1013-W1016 HydrophobicContact CB-CE3 4.17Å; P1013-W1016 PolarHBondContact O-N 2.9Å; I1014-W1016 VanDerWaalsContact C-N 3.26Å; I1014-W1016 PolarHBondContact O-N 2.85Å; W1016-W1034 VanDerWaalsContact O-CD1 3.32Å; W1016-S1035 WeakPolarHBondContact O-CA 3.44Å; W1016-S1035 PolarHBondContact O-OG 2.86Å; W1016-S1035 VanDerWaalsContact O-OG 3.05Å; W1016-V1038 VanDerWaalsContact CD1-CG1 3.47Å; W1016-V1038 HydrophobicContact CD2-CG1 4.23Å; W1016-V1038 HydrophobicContact CG-CB 4.3Å; W1016-V1038 HydrophobicContact CG-CG1 3.96Å; W1016-E1042 HydrophobicContact CZ2-CG 4.5Å; W1016-E1042 WeakPolarHBondContact CZ2-OE1 3.45Å; W1016-E1042 PolarHBondContact NE1-OE2 2.92Å; W1016-P1053 HydrophobicContact CH2-CB 4.38Å; W1016-P1053 HydrophobicContact CH2-CG 4.27Å; W1016-P1053 HydrophobicContact CZ2-CB 4.37Å; W1016-P1053 HydrophobicContact CZ2-CG 3.86Å; W1016-P1054 HydrophobicContact CH2-CG 3.96Å; W1016-P1054 HydrophobicContact CZ3-CG 3.99Å
1017	Y	95.1	Very high	85.1	Confident	10 Å²	10	55.1 Å²	55.1	4%	0.039	29%	0.292	C	S	.	.			trans	-79.4	146.9	-176.4	-78.6	3.4	0	0	0	113.3	R971 S1012 P1013 I1014 L1022 F1027 W1034	R971-Y1017 VanDerWaalsContact O-CE1 3.31Å; R971-Y1017 WeakPolarHBondContact O-CE1 3.42Å; S1012-Y1017 VanDerWaalsContact CB-CE2 3.45Å; S1012-Y1017 WeakPolarHBondContact CB-OH 3.33Å; S1012-Y1017 PolarHBondContact OG-OH 3.22Å; P1013-Y1017 HydrophobicContact CG-CD1 4.06Å; P1013-Y1017 HydrophobicContact CG-CE1 3.47Å; P1013-Y1017 VanDerWaalsContact CG-CE1 3.47Å; I1014-Y1017 PolarHBondContact O-N 2.88Å; Y1017-L1022 HydrophobicContact CD2-CD2 3.97Å; Y1017-L1022 HydrophobicContact CG-CD2 4.38Å; Y1017-F1027 HydrophobicContact CD1-CE1 4.15Å; Y1017-F1027 HydrophobicContact CD2-CE1 4.07Å; Y1017-F1027 HydrophobicContact CD2-CZ 4.05Å; Y1017-F1027 AromaticContact CE1-CE1 3.76Å; Y1017-F1027 HydrophobicContact CE1-CE1 3.76Å; Y1017-F1027 HydrophobicContact CE1-CZ 4.39Å; Y1017-F1027 AromaticContact CE2-CE1 3.71Å; Y1017-F1027 HydrophobicContact CE2-CE1 3.71Å; Y1017-F1027 AromaticContact CE2-CZ 3.52Å; Y1017-F1027 HydrophobicContact CE2-CZ 3.52Å; Y1017-F1027 HydrophobicContact CG-CE1 4.28Å; Y1017-F1027 AromaticContact CZ-CE1 3.53Å; Y1017-F1027 AromaticContact CZ-CZ 3.71Å; Y1017-W1034 PolarHBondContact O-NE1 2.91Å
1018	A	95.7	Very high	86.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.			trans	-71.2	156.7	170.4	0	0	0	0	0	111.6	E1020 S1021 L1022 W1034	A1018-E1020 VanDerWaalsContact C-N 3.32Å; A1018-E1020 WeakPolarHBondContact CB-OE1 3.35Å; A1018-E1020 VanDerWaalsContact CB-OE2 3.32Å; A1018-E1020 WeakPolarHBondContact CB-OE2 3.43Å; A1018-E1020 PolarHBondContact O-N 2.97Å; A1018-S1021 WeakPolarHBondContact O-CA 3.47Å; A1018-S1021 WeakPolarHBondContact O-CB 3.42Å; A1018-S1021 PolarHBondContact O-N 3.5Å; A1018-L1022 PolarHBondContact O-N 2.88Å; A1018-L1022 VanDerWaalsContact O-N 3.08Å; A1018-W1034 HydrophobicContact CB-CB 3.77Å; A1018-W1034 HydrophobicContact CB-CD2 3.97Å; A1018-W1034 HydrophobicContact CB-CE3 4.27Å; A1018-W1034 HydrophobicContact CB-CG 3.73Å
1019	P	93.9	Very high	87.9	Confident	21 Å²	21	41.8 Å²	41.8	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-53.8	-44.9	180	-27.3	34.9	0	0	0	113.3	S1021 L1022 T1023 W1034 L1078	P1019-S1021 VanDerWaalsContact C-N 3.25Å; P1019-S1021 PolarHBondContact O-N 2.85Å; P1019-L1022 PolarHBondContact O-N 3.33Å; P1019-L1022 VanDerWaalsContact O-N 3.14Å; P1019-T1023 PolarHBondContact O-N 2.9Å; P1019-T1023 PolarHBondContact O-OG1 3.11Å; P1019-W1034 HydrophobicContact CG-CE3 4.48Å; P1019-W1034 HydrophobicContact CG-CH2 3.66Å; P1019-W1034 HydrophobicContact CG-CZ2 4.27Å; P1019-W1034 HydrophobicContact CG-CZ3 3.77Å; P1019-L1078 HydrophobicContact CG-CB 4.42Å; P1019-L1078 HydrophobicContact CG-CD1 4.32Å
1020	E	94.1	Very high	89.9	Confident	20 Å²	20	36.4 Å²	36.4	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-27.2	179	71.8	-79.9	-169.9	0	0	113.1	A1018 E1024 S1025 K1026 P1106 R1109	A1018-E1020 VanDerWaalsContact C-N 3.32Å; A1018-E1020 WeakPolarHBondContact CB-OE1 3.35Å; A1018-E1020 VanDerWaalsContact CB-OE2 3.32Å; A1018-E1020 WeakPolarHBondContact CB-OE2 3.43Å; A1018-E1020 PolarHBondContact O-N 2.97Å; E1020-E1024 CarbonylContact O-C 3.57Å; E1020-E1024 WeakPolarHBondContact O-CA 3.32Å; E1020-E1024 WeakPolarHBondContact O-CB 3.49Å; E1020-E1024 PolarHBondContact O-N 2.83Å; E1020-S1025 PolarHBondContact O-N 3.13Å; E1020-K1026 PolarHBondContact O-N 2.77Å; E1020-P1106 HydrophobicContact CG-CG 4.27Å; E1020-R1109 IonicContact OE1-CZ 3.42Å; E1020-R1109 IonicContact OE1-NH1 3.99Å; E1020-R1109 PolarHBondContact OE1-NH1 2.87Å; E1020-R1109 IonicContact OE1-NH2 3.36Å; E1020-R1109 PolarHBondContact OE1-NH2 2.83Å; E1020-R1109 IonicContact OE2-CZ 2.68Å; E1020-R1109 IonicContact OE2-NH1 3.94Å; E1020-R1109 IonicContact OE2-NH2 3.14Å; E1020-R1109 PolarHBondContact OE2-NH2 3.37Å
1021	S	94.1	Very high	91.5	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-74.9	-32.2	174.8	-55.4	0	0	0	0	111.7	A1018 P1019 S1025 K1026 S1031	A1018-S1021 WeakPolarHBondContact O-CA 3.47Å; A1018-S1021 WeakPolarHBondContact O-CB 3.42Å; A1018-S1021 PolarHBondContact O-N 3.5Å; P1019-S1021 VanDerWaalsContact C-N 3.25Å; P1019-S1021 PolarHBondContact O-N 2.85Å; S1021-S1025 WeakPolarHBondContact O-CA 3.35Å; S1021-S1025 PolarHBondContact O-N 3.39Å; S1021-K1026 VanDerWaalsContact CA-O 3.24Å; S1021-K1026 WeakPolarHBondContact CA-O 3.12Å; S1021-K1026 WeakPolarHBondContact CB-O 3.44Å; S1021-K1026 PolarHBondContact N-O 2.85Å; S1021-K1026 PolarHBondContact OG-O 2.9Å; S1021-S1031 WeakPolarHBondContact OG-CB 3.28Å
1022	L	90.6	Very high	93	Very high	23 Å²	23	28.4 Å²	28.4	12%	0.12	16%	0.159	C	C	.	.	H	α-helix	trans	-78.5	-38.9	175.4	-65.3	169.9	0	0	0	112.5	I1014 Y1017 A1018 P1019 V1071 L1074 I1075 L1078	I1014-L1022 HydrophobicContact CB-CD2 4.03Å; I1014-L1022 HydrophobicContact CG2-CD2 4.24Å; Y1017-L1022 HydrophobicContact CD2-CD2 3.97Å; Y1017-L1022 HydrophobicContact CG-CD2 4.38Å; A1018-L1022 PolarHBondContact O-N 2.88Å; A1018-L1022 VanDerWaalsContact O-N 3.08Å; P1019-L1022 PolarHBondContact O-N 3.33Å; P1019-L1022 VanDerWaalsContact O-N 3.14Å; L1022-V1071 HydrophobicContact CD2-CG1 4.25Å; L1022-L1074 HydrophobicContact CD1-CD2 3.93Å; L1022-L1074 HydrophobicContact CD1-CG 4.17Å; L1022-I1075 HydrophobicContact CB-CD1 4Å; L1022-I1075 HydrophobicContact CB-CG1 3.75Å; L1022-I1075 HydrophobicContact CD1-CG1 4.24Å; L1022-L1078 HydrophobicContact CD1-CD1 3.89Å
1023	T	89.3	Confident	93.9	Very high	64 Å²	64	26.3 Å²	26.3	39%	0.393	15%	0.145	S	C	.	.	H	α-helix	trans	-89.8	-37.9	-174.2	55.5	0	0	0	0	113.9	P1019 I1075	P1019-T1023 PolarHBondContact O-N 2.9Å; P1019-T1023 PolarHBondContact O-OG1 3.11Å; T1023-I1075 HydrophobicContact CG2-CD1 3.89Å; T1023-I1075 HydrophobicContact CG2-CG1 4.03Å; T1023-I1075 HydrophobicContact CG2-CG2 3.64Å
1024	E	89.1	Confident	94.4	Very high	100 Å²	100	26 Å²	26	47%	0.467	14%	0.142	S	C	.	.	S	Bend	trans	-118.7	1.6	-171.4	-61.1	175.8	-132.2	0	0	112.7	E1020 K1026	E1020-E1024 CarbonylContact O-C 3.57Å; E1020-E1024 WeakPolarHBondContact O-CA 3.32Å; E1020-E1024 WeakPolarHBondContact O-CB 3.49Å; E1020-E1024 PolarHBondContact O-N 2.83Å; E1024-K1026 HydrophobicContact CB-CB 4.41Å; E1024-K1026 HydrophobicContact CB-CD 4.07Å; E1024-K1026 HydrophobicContact CB-CG 3.92Å; E1024-K1026 PolarHBondContact O-N 3.07Å; E1024-K1026 VanDerWaalsContact O-N 3.1Å; E1024-K1026 WeakPolarHBondContact OE2-CD 2.98Å; E1024-K1026 WeakPolarHBondContact OE2-CE 3.42Å; E1024-K1026 IonicContact OE2-NZ 2.85Å; E1024-K1026 PolarHBondContact OE2-NZ 3.11Å
1025	S	90.9	Very high	94.8	Very high	50 Å²	50	24.4 Å²	24.4	35%	0.35	13%	0.134	S	C	.	.			trans	53.1	28.4	-173.1	-58.9	0	0	0	0	113	T1005 V1006 E1020 S1021 F1027	T1005-S1025 VanDerWaalsContact CA-O 3.32Å; T1005-S1025 WeakPolarHBondContact CA-O 3.42Å; V1006-S1025 PolarHBondContact N-O 3.42Å; V1006-S1025 VanDerWaalsContact O-CB 3.32Å; V1006-S1025 WeakPolarHBondContact O-CB 3.49Å; E1020-S1025 PolarHBondContact O-N 3.13Å; S1021-S1025 WeakPolarHBondContact O-CA 3.35Å; S1021-S1025 PolarHBondContact O-N 3.39Å; S1025-F1027 WeakPolarHBondContact O-CD2 3.42Å; S1025-F1027 WeakPolarHBondContact O-CE2 3.46Å
1026	K	93.2	Very high	95	Very high	59 Å²	59	23 Å²	23	26%	0.257	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.3	178.7	-72.1	-178.7	-179.3	164.9	0	110.4	Y1003 Y1004 E1020 S1021 E1024	Y1003-K1026 HydrophobicContact CD2-CB 4.16Å; Y1003-K1026 HydrophobicContact CD2-CD 3.88Å; Y1003-K1026 HydrophobicContact CD2-CG 3.69Å; Y1003-K1026 HydrophobicContact CE2-CD 3.81Å; Y1003-K1026 HydrophobicContact CE2-CG 3.87Å; Y1003-K1026 HydrophobicContact CG-CD 4.35Å; Y1003-K1026 HydrophobicContact CG-CG 4.44Å; Y1004-K1026 WeakPolarHBondContact O-CA 3.5Å; E1020-K1026 PolarHBondContact O-N 2.77Å; S1021-K1026 VanDerWaalsContact CA-O 3.24Å; S1021-K1026 WeakPolarHBondContact CA-O 3.12Å; S1021-K1026 WeakPolarHBondContact CB-O 3.44Å; S1021-K1026 PolarHBondContact N-O 2.85Å; S1021-K1026 PolarHBondContact OG-O 2.9Å; E1024-K1026 HydrophobicContact CB-CB 4.41Å; E1024-K1026 HydrophobicContact CB-CD 4.07Å; E1024-K1026 HydrophobicContact CB-CG 3.92Å; E1024-K1026 PolarHBondContact O-N 3.07Å; E1024-K1026 VanDerWaalsContact O-N 3.1Å; E1024-K1026 WeakPolarHBondContact OE2-CD 2.98Å; E1024-K1026 WeakPolarHBondContact OE2-CE 3.42Å; E1024-K1026 IonicContact OE2-NZ 2.85Å; E1024-K1026 PolarHBondContact OE2-NZ 3.11Å
1027	F	94.1	Very high	95.1	Very high	6 Å²	6	22 Å²	22	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	179.2	-64.4	-92.2	0	0	0	109.4	I969 R971 Y1003 Y1004 V1006 Y1017 S1025 S1031	I969-F1027 HydrophobicContact CD1-CB 4.29Å; I969-F1027 VanDerWaalsContact CD1-O 3.24Å; I969-F1027 WeakPolarHBondContact CD1-O 3.39Å; I969-F1027 HydrophobicContact CG2-CB 4.28Å; R971-F1027 HydrophobicContact CB-CD1 4.22Å; R971-F1027 HydrophobicContact CB-CE1 4.44Å; R971-F1027 HydrophobicContact CG-CB 4.13Å; R971-F1027 HydrophobicContact CG-CD1 3.64Å; R971-F1027 HydrophobicContact CG-CE1 4.29Å; R971-F1027 HydrophobicContact CG-CG 3.98Å; Y1003-F1027 CarbonylContact C-O 3.51Å; Y1003-F1027 WeakPolarHBondContact CA-O 3.4Å; Y1003-F1027 WeakPolarHBondContact CB-O 3.37Å; Y1004-F1027 PolarHBondContact N-O 3.18Å; Y1004-F1027 PolarHBondContact O-N 2.93Å; V1006-F1027 HydrophobicContact CB-CD2 4.39Å; V1006-F1027 HydrophobicContact CB-CE2 4.02Å; V1006-F1027 HydrophobicContact CG2-CD2 3.48Å; V1006-F1027 VanDerWaalsContact CG2-CD2 3.48Å; V1006-F1027 HydrophobicContact CG2-CE2 3.39Å; V1006-F1027 HydrophobicContact CG2-CZ 4.39Å; Y1017-F1027 HydrophobicContact CD1-CE1 4.15Å; Y1017-F1027 HydrophobicContact CD2-CE1 4.07Å; Y1017-F1027 HydrophobicContact CD2-CZ 4.05Å; Y1017-F1027 AromaticContact CE1-CE1 3.76Å; Y1017-F1027 HydrophobicContact CE1-CE1 3.76Å; Y1017-F1027 HydrophobicContact CE1-CZ 4.39Å; Y1017-F1027 AromaticContact CE2-CE1 3.71Å; Y1017-F1027 HydrophobicContact CE2-CE1 3.71Å; Y1017-F1027 AromaticContact CE2-CZ 3.52Å; Y1017-F1027 HydrophobicContact CE2-CZ 3.52Å; Y1017-F1027 HydrophobicContact CG-CE1 4.28Å; Y1017-F1027 AromaticContact CZ-CE1 3.53Å; Y1017-F1027 AromaticContact CZ-CZ 3.71Å; S1025-F1027 WeakPolarHBondContact O-CD2 3.42Å; S1025-F1027 WeakPolarHBondContact O-CE2 3.46Å; F1027-S1031 WeakPolarHBondContact CA-OG 3.49Å
1028	S	95.8	Very high	95.2	Very high	18 Å²	18	21.7 Å²	21.7	13%	0.126	12%	0.123	C	C	.	.			trans	-146.9	172.9	-179.9	66.1	0	0	0	0	109.8	E1002 A1030 S1031 D1032	E1002-S1028 WeakPolarHBondContact O-CB 3.4Å; S1028-A1030 PolarHBondContact O-N 2.74Å; S1028-A1030 PolarHBondContact OG-N 2.59Å; S1028-S1031 PolarHBondContact N-OG 3.11Å; S1028-S1031 PolarHBondContact O-N 3.28Å; S1028-S1031 PolarHBondContact O-OG 2.82Å; S1028-S1031 PolarHBondContact OG-N 3.46Å; S1028-D1032 PolarHBondContact O-N 2.83Å
1029	V	96.1	Very high	95.3	Very high	46 Å²	46	21.7 Å²	21.7	28%	0.279	12%	0.123	S	C	.	.	H	α-helix	trans	-56	-35.6	170.3	-178.8	0	0	0	0	110.7	L997 S1031 D1032 V1033 F1112	L997-V1029 HydrophobicContact CD1-CG2 4.01Å; V1029-S1031 VanDerWaalsContact C-N 3.32Å; V1029-S1031 PolarHBondContact O-N 2.78Å; V1029-D1032 PolarHBondContact O-N 2.78Å; V1029-V1033 WeakPolarHBondContact O-CG2 3.38Å; V1029-V1033 PolarHBondContact O-N 3.13Å; V1029-V1033 VanDerWaalsContact O-N 3.08Å; V1029-F1112 HydrophobicContact CG1-CD2 4.11Å; V1029-F1112 HydrophobicContact CG1-CE2 4.3Å
1030	A	97.3	Very high	95.5	Very high	24 Å²	24	20.7 Å²	20.7	20%	0.198	12%	0.117	C	C	.	.	H	α-helix	trans	-68.8	-26.1	176.1	0	0	0	0	0	113.4	S1028 V1033 W1034 P1106 R1109	S1028-A1030 PolarHBondContact O-N 2.74Å; S1028-A1030 PolarHBondContact OG-N 2.59Å; A1030-V1033 PolarHBondContact O-N 2.87Å; A1030-W1034 PolarHBondContact O-N 3.13Å; A1030-P1106 HydrophobicContact CB-CB 3.96Å; A1030-R1109 VanDerWaalsContact O-CD 3.25Å; A1030-R1109 WeakPolarHBondContact O-CD 2.94Å; A1030-R1109 PolarHBondContact O-NH1 2.89Å
1031	S	97.4	Very high	95.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-72.2	-33.5	170.7	69	0	0	0	0	112	S1021 F1027 S1028 V1029 V1033 W1034 S1035	S1021-S1031 WeakPolarHBondContact OG-CB 3.28Å; F1027-S1031 WeakPolarHBondContact CA-OG 3.49Å; S1028-S1031 PolarHBondContact N-OG 3.11Å; S1028-S1031 PolarHBondContact O-N 3.28Å; S1028-S1031 PolarHBondContact O-OG 2.82Å; S1028-S1031 PolarHBondContact OG-N 3.46Å; V1029-S1031 VanDerWaalsContact C-N 3.32Å; V1029-S1031 PolarHBondContact O-N 2.78Å; S1031-V1033 VanDerWaalsContact C-N 3.31Å; S1031-V1033 PolarHBondContact O-N 3.49Å; S1031-W1034 WeakPolarHBondContact O-CB 3.42Å; S1031-W1034 PolarHBondContact O-N 2.65Å; S1031-S1035 PolarHBondContact O-N 2.94Å; S1031-S1035 PolarHBondContact O-OG 2.86Å
1032	D	98	Very high	95.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-29.7	172.5	-79.8	-20.8	0	0	0	112.1	M960 I969 H970 R971 S1028 V1029 W1034 S1035 F1036 F1112	M960-D1032 HydrophobicContact CE-CB 3.68Å; M960-D1032 WeakPolarHBondContact CE-OD2 3.48Å; I969-D1032 WeakPolarHBondContact CA-OD2 3.22Å; I969-D1032 VanDerWaalsContact CG2-OD2 3.23Å; I969-D1032 WeakPolarHBondContact CG2-OD2 3.42Å; H970-D1032 PolarHBondContact N-OD2 2.85Å; R971-D1032 PolarHBondContact N-OD1 2.96Å; S1028-D1032 PolarHBondContact O-N 2.83Å; V1029-D1032 PolarHBondContact O-N 2.78Å; D1032-W1034 VanDerWaalsContact C-N 3.29Å; D1032-W1034 PolarHBondContact O-N 2.87Å; D1032-S1035 WeakPolarHBondContact O-CB 3.39Å; D1032-S1035 PolarHBondContact O-N 2.85Å; D1032-F1036 PolarHBondContact O-N 3.23Å; D1032-F1112 HydrophobicContact CB-CE2 4.07Å; D1032-F1112 HydrophobicContact CB-CZ 4.21Å
1033	V	98.5	Very high	96.1	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-36.9	171.1	171	0	0	0	0	111.5	V1029 A1030 S1031 F1036 G1037 C1101 R1109 P1110 F1112 L1115	V1029-V1033 WeakPolarHBondContact O-CG2 3.38Å; V1029-V1033 PolarHBondContact O-N 3.13Å; V1029-V1033 VanDerWaalsContact O-N 3.08Å; A1030-V1033 PolarHBondContact O-N 2.87Å; S1031-V1033 VanDerWaalsContact C-N 3.31Å; S1031-V1033 PolarHBondContact O-N 3.49Å; V1033-F1036 WeakPolarHBondContact O-CB 3.48Å; V1033-F1036 PolarHBondContact O-N 2.83Å; V1033-G1037 PolarHBondContact O-N 3.43Å; V1033-G1037 VanDerWaalsContact O-N 3.08Å; V1033-C1101 HydrophobicContact CG1-CB 4.17Å; V1033-C1101 WeakPolarHBondContact O-CB 3.4Å; V1033-R1109 HydrophobicContact CG1-CB 3.98Å; V1033-P1110 HydrophobicContact CG1-CG 4.33Å; V1033-P1110 WeakPolarHBondContact CG1-O 3.4Å; V1033-P1110 WeakPolarHBondContact CG2-O 3.41Å; V1033-F1112 HydrophobicContact CG2-CD2 4.02Å; V1033-F1112 HydrophobicContact CG2-CE1 4.47Å; V1033-F1112 HydrophobicContact CG2-CE2 3.74Å; V1033-F1112 HydrophobicContact CG2-CG 4.49Å; V1033-F1112 HydrophobicContact CG2-CZ 4Å; V1033-L1115 HydrophobicContact CG1-CD1 4.13Å
1034	W	98.4	Very high	96.4	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.027	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-48.7	173	177.7	-72.9	0	0	0	111	W1016 Y1017 A1018 P1019 A1030 S1031 D1032 F1036 G1037 V1038 L1078 W1102	W1016-W1034 VanDerWaalsContact O-CD1 3.32Å; Y1017-W1034 PolarHBondContact O-NE1 2.91Å; A1018-W1034 HydrophobicContact CB-CB 3.77Å; A1018-W1034 HydrophobicContact CB-CD2 3.97Å; A1018-W1034 HydrophobicContact CB-CE3 4.27Å; A1018-W1034 HydrophobicContact CB-CG 3.73Å; P1019-W1034 HydrophobicContact CG-CE3 4.48Å; P1019-W1034 HydrophobicContact CG-CH2 3.66Å; P1019-W1034 HydrophobicContact CG-CZ2 4.27Å; P1019-W1034 HydrophobicContact CG-CZ3 3.77Å; A1030-W1034 PolarHBondContact O-N 3.13Å; S1031-W1034 WeakPolarHBondContact O-CB 3.42Å; S1031-W1034 PolarHBondContact O-N 2.65Å; D1032-W1034 VanDerWaalsContact C-N 3.29Å; D1032-W1034 PolarHBondContact O-N 2.87Å; W1034-F1036 PolarHBondContact O-N 2.92Å; W1034-G1037 WeakPolarHBondContact O-CA 3.32Å; W1034-G1037 PolarHBondContact O-N 3.43Å; W1034-V1038 PolarHBondContact O-N 3.2Å; W1034-L1078 HydrophobicContact CH2-CD2 4.1Å; W1034-L1078 HydrophobicContact CZ2-CD1 4.1Å; W1034-L1078 HydrophobicContact CZ2-CD2 3.8Å; W1034-W1102 HydrophobicContact CD2-CB 4.45Å; W1034-W1102 AromaticContact CD2-CD1 3.72Å; W1034-W1102 HydrophobicContact CD2-CG 4.45Å; W1034-W1102 AromaticContact CE2-CD1 3.74Å; W1034-W1102 VanDerWaalsContact CE3-CA 3.45Å; W1034-W1102 HydrophobicContact CE3-CB 4.1Å; W1034-W1102 AromaticContact CG-CD1 3.99Å; W1034-W1102 HydrophobicContact CH2-CB 4Å; W1034-W1102 HydrophobicContact CZ2-CB 4.36Å; W1034-W1102 HydrophobicContact CZ2-CG 4.45Å; W1034-W1102 VanDerWaalsContact CZ3-CA 3.47Å; W1034-W1102 HydrophobicContact CZ3-CB 3.87Å; W1034-W1102 WeakPolarHBondContact CZ3-O 3.4Å; W1034-W1102 PolarHBondContact O-NE1 2.88Å
1035	S	98.3	Very high	96.7	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-56.4	-39.5	175.7	-52.1	0	0	0	0	111.4	W1016 S1031 D1032 G1037 V1038 V1039	W1016-S1035 WeakPolarHBondContact O-CA 3.44Å; W1016-S1035 PolarHBondContact O-OG 2.86Å; W1016-S1035 VanDerWaalsContact O-OG 3.05Å; S1031-S1035 PolarHBondContact O-N 2.94Å; S1031-S1035 PolarHBondContact O-OG 2.86Å; D1032-S1035 WeakPolarHBondContact O-CB 3.39Å; D1032-S1035 PolarHBondContact O-N 2.85Å; S1035-G1037 VanDerWaalsContact C-N 3.34Å; S1035-G1037 PolarHBondContact O-N 3.28Å; S1035-V1038 CarbonylContact O-C 3.58Å; S1035-V1038 WeakPolarHBondContact O-CA 3.26Å; S1035-V1038 WeakPolarHBondContact O-CB 3.32Å; S1035-V1038 PolarHBondContact O-N 3.02Å; S1035-V1039 PolarHBondContact O-N 2.94Å
1036	F	98.6	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-37.5	174.3	177.7	-103.7	0	0	0	113	A953 I956 C957 L973 D1032 V1033 W1034 V1038 V1039 L1040 F1112 L1115	A953-F1036 HydrophobicContact CB-CZ 4.26Å; I956-F1036 HydrophobicContact CB-CE2 4.28Å; I956-F1036 HydrophobicContact CG2-CD2 3.93Å; I956-F1036 HydrophobicContact CG2-CE2 4.03Å; C957-F1036 VanDerWaalsContact SG-CE1 3.53Å; C957-F1036 VanDerWaalsContact SG-CE2 3.52Å; C957-F1036 WeakPolarHBondContact SG-CZ 3.4Å; L973-F1036 HydrophobicContact CD2-CB 3.85Å; L973-F1036 HydrophobicContact CD2-CD2 4.43Å; D1032-F1036 PolarHBondContact O-N 3.23Å; V1033-F1036 WeakPolarHBondContact O-CB 3.48Å; V1033-F1036 PolarHBondContact O-N 2.83Å; W1034-F1036 PolarHBondContact O-N 2.92Å; F1036-V1038 PolarHBondContact O-N 3.05Å; F1036-V1039 CarbonylContact O-C 3.54Å; F1036-V1039 WeakPolarHBondContact O-CA 3.32Å; F1036-V1039 WeakPolarHBondContact O-CB 3.18Å; F1036-V1039 PolarHBondContact O-N 3.01Å; F1036-V1039 VanDerWaalsContact O-N 3.11Å; F1036-L1040 HydrophobicContact CD1-CD1 4.19Å; F1036-L1040 HydrophobicContact CD1-CG 4.25Å; F1036-L1040 HydrophobicContact CE1-CD1 3.62Å; F1036-L1040 HydrophobicContact CE1-CD2 4.04Å; F1036-L1040 HydrophobicContact CE1-CG 3.7Å; F1036-L1040 HydrophobicContact CE2-CD2 4.38Å; F1036-L1040 HydrophobicContact CE2-CG 4.41Å; F1036-L1040 HydrophobicContact CZ-CD1 4.15Å; F1036-L1040 HydrophobicContact CZ-CD2 3.67Å; F1036-L1040 HydrophobicContact CZ-CG 3.77Å; F1036-L1040 PolarHBondContact O-N 2.72Å; F1036-F1112 HydrophobicContact CB-CE1 3.75Å; F1036-F1112 HydrophobicContact CB-CZ 4.09Å; F1036-F1112 HydrophobicContact CD1-CE1 4.37Å; F1036-F1112 HydrophobicContact CD2-CE1 4.26Å; F1036-F1112 AromaticContact CG-CE1 3.86Å; F1036-F1112 HydrophobicContact CG-CE1 3.86Å; F1036-L1115 HydrophobicContact CD1-CD1 3.76Å; F1036-L1115 HydrophobicContact CE1-CD1 4Å; F1036-L1115 HydrophobicContact CE1-CD2 4.43Å
1037	G	98.1	Very high	96.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.1	-38.5	171	0	0	0	0	0	112.2	V1033 W1034 S1035 L1040 Y1041 W1102	V1033-G1037 PolarHBondContact O-N 3.43Å; V1033-G1037 VanDerWaalsContact O-N 3.08Å; W1034-G1037 WeakPolarHBondContact O-CA 3.32Å; W1034-G1037 PolarHBondContact O-N 3.43Å; S1035-G1037 VanDerWaalsContact C-N 3.34Å; S1035-G1037 PolarHBondContact O-N 3.28Å; G1037-L1040 WeakPolarHBondContact O-CB 3.37Å; G1037-L1040 PolarHBondContact O-N 3.2Å; G1037-Y1041 PolarHBondContact O-N 3.4Å; G1037-Y1041 VanDerWaalsContact O-N 3.17Å; G1037-W1102 VanDerWaalsContact C-CZ2 3.45Å; G1037-W1102 WeakPolarHBondContact O-CZ2 3.44Å
1038	V	98.3	Very high	96.7	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.018	7%	0.066	C	C	.	.	H	α-helix	trans	-69.2	-38.8	173.6	-172.5	0	0	0	0	111.4	W1016 W1034 S1035 F1036 L1040 Y1041 E1042 P1053 L1084 W1102	W1016-V1038 VanDerWaalsContact CD1-CG1 3.47Å; W1016-V1038 HydrophobicContact CD2-CG1 4.23Å; W1016-V1038 HydrophobicContact CG-CB 4.3Å; W1016-V1038 HydrophobicContact CG-CG1 3.96Å; W1034-V1038 PolarHBondContact O-N 3.2Å; S1035-V1038 CarbonylContact O-C 3.58Å; S1035-V1038 WeakPolarHBondContact O-CA 3.26Å; S1035-V1038 WeakPolarHBondContact O-CB 3.32Å; S1035-V1038 PolarHBondContact O-N 3.02Å; F1036-V1038 PolarHBondContact O-N 3.05Å; V1038-L1040 PolarHBondContact O-N 2.89Å; V1038-Y1041 WeakPolarHBondContact O-CA 3.47Å; V1038-Y1041 WeakPolarHBondContact O-CB 3.42Å; V1038-Y1041 PolarHBondContact O-N 2.96Å; V1038-Y1041 VanDerWaalsContact O-N 3.11Å; V1038-E1042 WeakPolarHBondContact O-CG 3.48Å; V1038-E1042 PolarHBondContact O-N 3.39Å; V1038-P1053 HydrophobicContact CG1-CB 4.06Å; V1038-P1053 HydrophobicContact CG1-CG 3.63Å; V1038-L1084 HydrophobicContact CG1-CD1 4.14Å; V1038-W1102 HydrophobicContact CG2-CZ2 4.35Å
1039	V	98.3	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-43.2	172.5	169.7	0	0	0	0	111.6	I956 L973 T975 S1035 F1036 Y1041 E1042 L1043	I956-V1039 HydrophobicContact CD1-CG1 3.98Å; L973-V1039 HydrophobicContact CG-CG2 4.14Å; T975-V1039 HydrophobicContact CG2-CG1 4.16Å; S1035-V1039 PolarHBondContact O-N 2.94Å; F1036-V1039 CarbonylContact O-C 3.54Å; F1036-V1039 WeakPolarHBondContact O-CA 3.32Å; F1036-V1039 WeakPolarHBondContact O-CB 3.18Å; F1036-V1039 PolarHBondContact O-N 3.01Å; F1036-V1039 VanDerWaalsContact O-N 3.11Å; V1039-Y1041 VanDerWaalsContact C-N 3.25Å; V1039-Y1041 PolarHBondContact O-N 3.27Å; V1039-E1042 WeakPolarHBondContact O-CB 3.49Å; V1039-E1042 PolarHBondContact O-N 3.36Å; V1039-E1042 VanDerWaalsContact O-N 3.12Å; V1039-L1043 HydrophobicContact CG1-CD1 4.38Å; V1039-L1043 HydrophobicContact CG1-CG 4.28Å; V1039-L1043 WeakPolarHBondContact O-CG 3.46Å; V1039-L1043 PolarHBondContact O-N 2.66Å
1040	L	97.8	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.4	-43.6	173.5	-73.6	177.8	0	0	0	110.8	A953 F1036 G1037 V1038 L1043 F1044 M1097 M1098	A953-L1040 HydrophobicContact CB-CD2 3.72Å; F1036-L1040 HydrophobicContact CD1-CD1 4.19Å; F1036-L1040 HydrophobicContact CD1-CG 4.25Å; F1036-L1040 HydrophobicContact CE1-CD1 3.62Å; F1036-L1040 HydrophobicContact CE1-CD2 4.04Å; F1036-L1040 HydrophobicContact CE1-CG 3.7Å; F1036-L1040 HydrophobicContact CE2-CD2 4.38Å; F1036-L1040 HydrophobicContact CE2-CG 4.41Å; F1036-L1040 HydrophobicContact CZ-CD1 4.15Å; F1036-L1040 HydrophobicContact CZ-CD2 3.67Å; F1036-L1040 HydrophobicContact CZ-CG 3.77Å; F1036-L1040 PolarHBondContact O-N 2.72Å; G1037-L1040 WeakPolarHBondContact O-CB 3.37Å; G1037-L1040 PolarHBondContact O-N 3.2Å; V1038-L1040 PolarHBondContact O-N 2.89Å; L1040-L1043 HydrophobicContact CD2-CD1 4.43Å; L1040-L1043 PolarHBondContact O-N 3.33Å; L1040-F1044 WeakPolarHBondContact O-CD2 3.32Å; L1040-F1044 PolarHBondContact O-N 2.85Å; L1040-M1097 HydrophobicContact CD1-CG 4.48Å; L1040-M1097 HydrophobicContact CD1-SD 4.39Å; L1040-M1098 VanDerWaalsContact C-CE 3.48Å; L1040-M1098 HydrophobicContact CB-CE 3.78Å; L1040-M1098 HydrophobicContact CB-CG 3.77Å; L1040-M1098 HydrophobicContact CD1-CG 4.06Å; L1040-M1098 WeakPolarHBondContact O-CE 3.5Å
1041	Y	97.7	Very high	95.7	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-45.2	175.2	176.3	-90.9	0	0	0	112	G1037 V1038 V1039 L1043 F1044 T1045 C1051 P1053 L1084 P1085 P1087	G1037-Y1041 PolarHBondContact O-N 3.4Å; G1037-Y1041 VanDerWaalsContact O-N 3.17Å; V1038-Y1041 WeakPolarHBondContact O-CA 3.47Å; V1038-Y1041 WeakPolarHBondContact O-CB 3.42Å; V1038-Y1041 PolarHBondContact O-N 2.96Å; V1038-Y1041 VanDerWaalsContact O-N 3.11Å; V1039-Y1041 VanDerWaalsContact C-N 3.25Å; V1039-Y1041 PolarHBondContact O-N 3.27Å; Y1041-L1043 VanDerWaalsContact C-N 3.34Å; Y1041-L1043 PolarHBondContact O-N 2.97Å; Y1041-F1044 PolarHBondContact O-N 3.2Å; Y1041-T1045 HydrophobicContact CD1-CG2 4.34Å; Y1041-T1045 HydrophobicContact CD2-CG2 4.37Å; Y1041-T1045 HydrophobicContact CE1-CG2 3.92Å; Y1041-T1045 HydrophobicContact CE2-CG2 3.91Å; Y1041-T1045 WeakPolarHBondContact O-CB 3.28Å; Y1041-T1045 WeakPolarHBondContact O-CG2 3.41Å; Y1041-T1045 PolarHBondContact O-N 3.42Å; Y1041-T1045 PolarHBondContact O-OG1 3.3Å; Y1041-C1051 WeakPolarHBondContact CE1-O 3.12Å; Y1041-C1051 PolarHBondContact OH-O 2.99Å; Y1041-P1053 HydrophobicContact CD1-CG 4.15Å; Y1041-P1053 HydrophobicContact CE1-CG 4.36Å; Y1041-L1084 HydrophobicContact CD1-CD1 3.73Å; Y1041-L1084 HydrophobicContact CD2-CB 3.82Å; Y1041-L1084 HydrophobicContact CD2-CD1 4.31Å; Y1041-L1084 HydrophobicContact CE1-CD1 4.15Å; Y1041-L1084 HydrophobicContact CE1-CD2 4.25Å; Y1041-L1084 HydrophobicContact CE2-CB 3.89Å; Y1041-L1084 HydrophobicContact CG-CB 4.2Å; Y1041-L1084 HydrophobicContact CG-CD1 3.81Å; Y1041-P1085 HydrophobicContact CE2-CG 4.42Å; Y1041-P1085 WeakPolarHBondContact CE2-O 3.15Å; Y1041-P1087 HydrophobicContact CD2-CG 3.65Å; Y1041-P1087 HydrophobicContact CE2-CG 3.97Å; Y1041-P1087 HydrophobicContact CG-CG 4.49Å
1042	E	97.3	Very high	95.5	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-37.1	176	-67.2	-180	96.3	0	0	112.8	T975 W1016 V1038 V1039 T1045 Y1046 S1047 P1053	T975-E1042 HydrophobicContact CG2-CB 3.46Å; T975-E1042 VanDerWaalsContact CG2-CB 3.46Å; T975-E1042 HydrophobicContact CG2-CG 4.28Å; T975-E1042 PolarHBondContact N-OE2 3.25Å; T975-E1042 VanDerWaalsContact OG1-CD 3.32Å; T975-E1042 PolarHBondContact OG1-OE1 3.38Å; W1016-E1042 HydrophobicContact CZ2-CG 4.5Å; W1016-E1042 WeakPolarHBondContact CZ2-OE1 3.45Å; W1016-E1042 PolarHBondContact NE1-OE2 2.92Å; V1038-E1042 WeakPolarHBondContact O-CG 3.48Å; V1038-E1042 PolarHBondContact O-N 3.39Å; V1039-E1042 WeakPolarHBondContact O-CB 3.49Å; V1039-E1042 PolarHBondContact O-N 3.36Å; V1039-E1042 VanDerWaalsContact O-N 3.12Å; E1042-T1045 WeakPolarHBondContact CA-OG1 3.48Å; E1042-T1045 PolarHBondContact O-OG1 3.47Å; E1042-Y1046 PolarHBondContact O-N 3.38Å; E1042-S1047 PolarHBondContact O-N 2.79Å; E1042-S1047 PolarHBondContact O-OG 2.91Å; E1042-P1053 HydrophobicContact CG-CG 4.07Å
1043	L	96.5	Very high	95.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-51.5	176.1	-70.6	-179.7	0	0	0	110.8	L933 L937 L949 A953 T975 V1039 L1040 Y1041 T1045 Y1046	L933-L1043 HydrophobicContact CD2-CD2 3.68Å; L933-L1043 HydrophobicContact CG-CD2 4.41Å; L937-L1043 HydrophobicContact CD1-CD2 3.87Å; L949-L1043 WeakPolarHBondContact CD1-O 3.23Å; L949-L1043 HydrophobicContact CD2-CB 4.28Å; L949-L1043 WeakPolarHBondContact CD2-O 3.34Å; A953-L1043 HydrophobicContact CB-CD1 3.87Å; T975-L1043 HydrophobicContact CG2-CD2 4.33Å; V1039-L1043 HydrophobicContact CG1-CD1 4.38Å; V1039-L1043 HydrophobicContact CG1-CG 4.28Å; V1039-L1043 WeakPolarHBondContact O-CG 3.46Å; V1039-L1043 PolarHBondContact O-N 2.66Å; L1040-L1043 HydrophobicContact CD2-CD1 4.43Å; L1040-L1043 PolarHBondContact O-N 3.33Å; Y1041-L1043 VanDerWaalsContact C-N 3.34Å; Y1041-L1043 PolarHBondContact O-N 2.97Å; L1043-T1045 VanDerWaalsContact C-N 3.3Å; L1043-T1045 PolarHBondContact O-N 3.39Å; L1043-Y1046 PolarHBondContact O-N 2.99Å
1044	F	95.4	Very high	94.9	Very high	9 Å²	9	25.3 Å²	25.3	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-79.5	-10.4	-175.1	-78.8	-89.1	0	0	0	114.1	L949 L950 L1040 Y1041 P1087 C1090 P1091 I1094 M1098	L949-F1044 HydrophobicContact CB-CE2 4.37Å; L949-F1044 HydrophobicContact CB-CZ 4.24Å; L949-F1044 HydrophobicContact CD1-CD1 4.05Å; L949-F1044 HydrophobicContact CD1-CE1 4.19Å; L949-F1044 HydrophobicContact CD1-CG 4.3Å; L950-F1044 HydrophobicContact CD2-CZ 4.07Å; L950-F1044 HydrophobicContact CG-CZ 4.28Å; L1040-F1044 WeakPolarHBondContact O-CD2 3.32Å; L1040-F1044 PolarHBondContact O-N 2.85Å; Y1041-F1044 PolarHBondContact O-N 3.2Å; F1044-P1087 HydrophobicContact CB-CB 3.87Å; F1044-P1087 HydrophobicContact CB-CG 3.9Å; F1044-C1090 HydrophobicContact CB-CB 4.4Å; F1044-C1090 HydrophobicContact CD1-CB 4.22Å; F1044-C1090 HydrophobicContact CG-CB 4.47Å; F1044-P1091 HydrophobicContact CE1-CG 4.17Å; F1044-I1094 HydrophobicContact CD2-CG2 3.94Å; F1044-I1094 HydrophobicContact CE2-CB 4.5Å; F1044-I1094 HydrophobicContact CE2-CG2 3.57Å; F1044-I1094 HydrophobicContact CZ-CB 4.46Å; F1044-I1094 HydrophobicContact CZ-CG1 4.18Å; F1044-I1094 HydrophobicContact CZ-CG2 3.99Å; F1044-M1098 HydrophobicContact CB-CE 4.25Å; F1044-M1098 HydrophobicContact CD2-CE 4.03Å; F1044-M1098 HydrophobicContact CG-CE 4.36Å
1045	T	94.5	Very high	94.6	Very high	14 Å²	14	26.6 Å²	26.6	9%	0.086	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.1	165.3	52.7	0	0	0	0	112.9	Y1041 E1042 L1043 S1047 D1048 P1087	Y1041-T1045 HydrophobicContact CD1-CG2 4.34Å; Y1041-T1045 HydrophobicContact CD2-CG2 4.37Å; Y1041-T1045 HydrophobicContact CE1-CG2 3.92Å; Y1041-T1045 HydrophobicContact CE2-CG2 3.91Å; Y1041-T1045 WeakPolarHBondContact O-CB 3.28Å; Y1041-T1045 WeakPolarHBondContact O-CG2 3.41Å; Y1041-T1045 PolarHBondContact O-N 3.42Å; Y1041-T1045 PolarHBondContact O-OG1 3.3Å; E1042-T1045 WeakPolarHBondContact CA-OG1 3.48Å; E1042-T1045 PolarHBondContact O-OG1 3.47Å; L1043-T1045 VanDerWaalsContact C-N 3.3Å; L1043-T1045 PolarHBondContact O-N 3.39Å; T1045-S1047 PolarHBondContact O-N 3.48Å; T1045-D1048 WeakPolarHBondContact O-CB 3.27Å; T1045-D1048 PolarHBondContact O-N 3.06Å; T1045-D1048 VanDerWaalsContact O-N 3.08Å; T1045-P1087 HydrophobicContact CG2-CB 3.84Å; T1045-P1087 HydrophobicContact CG2-CG 4.1Å
1046	Y	93.6	Very high	94.3	Very high	44 Å²	44	27 Å²	27	17%	0.173	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	29.9	-174.8	-61.7	-94.8	0	0	0	113.2	L937 K941 I944 L949 E1042 L1043 D1048	L937-Y1046 HydrophobicContact CD2-CD1 4.42Å; K941-Y1046 HydrophobicContact CB-CD1 4.14Å; K941-Y1046 HydrophobicContact CB-CG 4.37Å; K941-Y1046 HydrophobicContact CD-CG 4.25Å; K941-Y1046 HydrophobicContact CG-CD1 3.82Å; K941-Y1046 HydrophobicContact CG-CD2 4.16Å; K941-Y1046 HydrophobicContact CG-CE1 4.28Å; K941-Y1046 HydrophobicContact CG-CG 3.73Å; I944-Y1046 HydrophobicContact CB-CE1 4Å; I944-Y1046 HydrophobicContact CG2-CE1 4.07Å; I944-Y1046 VanDerWaalsContact O-CE1 3.24Å; I944-Y1046 WeakPolarHBondContact O-CE1 3.31Å; I944-Y1046 PolarHBondContact O-OH 2.88Å; L949-Y1046 HydrophobicContact CD1-CE1 4.2Å; L949-Y1046 HydrophobicContact CD1-CE2 4.38Å; L949-Y1046 HydrophobicContact CD2-CE1 4.45Å; E1042-Y1046 PolarHBondContact O-N 3.38Å; L1043-Y1046 PolarHBondContact O-N 2.99Å; Y1046-D1048 PolarHBondContact O-N 2.97Å
1047	S	93	Very high	94	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.042	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	31.2	-174.5	-60.9	0	0	0	0	114.2	I938 T975 E1042 T1045 K1049	I938-S1047 WeakPolarHBondContact CD1-O 3.27Å; I938-S1047 WeakPolarHBondContact CG1-O 3.42Å; T975-S1047 PolarHBondContact OG1-OG 3.38Å; E1042-S1047 PolarHBondContact O-N 2.79Å; E1042-S1047 PolarHBondContact O-OG 2.91Å; T1045-S1047 PolarHBondContact O-N 3.48Å; S1047-K1049 PolarHBondContact O-N 2.88Å
1048	D	90.9	Very high	93.5	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.273	16%	0.164	S	C	.	.			trans	-56.4	131.3	177	-172	-29.6	0	0	0	110.2	T1045 Y1046 N1050 C1051 S1052	T1045-D1048 WeakPolarHBondContact O-CB 3.27Å; T1045-D1048 PolarHBondContact O-N 3.06Å; T1045-D1048 VanDerWaalsContact O-N 3.08Å; Y1046-D1048 PolarHBondContact O-N 2.97Å; D1048-N1050 PolarHBondContact O-N 2.89Å; D1048-N1050 WeakPolarHBondContact OD1-CB 3.4Å; D1048-N1050 PolarHBondContact OD1-N 3.33Å; D1048-C1051 CarbonylContact O-C 3.57Å; D1048-C1051 PolarHBondContact O-N 2.77Å; D1048-S1052 PolarHBondContact O-N 3.31Å
1049	K	88.9	Confident	93	Very high	142 Å²	142	38 Å²	38	62%	0.617	20%	0.198	S	C	*	.	S	Bend	trans	-64.3	-33.5	-176	-65.8	-178.4	-179.1	178.5	0	111.6	S1047 C1051 S1052	S1047-K1049 PolarHBondContact O-N 2.88Å; K1049-C1051 VanDerWaalsContact C-N 3.33Å; K1049-C1051 PolarHBondContact O-N 2.99Å; K1049-S1052 PolarHBondContact O-N 2.98Å; K1049-S1052 PolarHBondContact O-OG 2.79Å; K1049-S1052 VanDerWaalsContact O-OG 3.1Å
1050	N	89.3	Confident	92.4	Very high	139 Å²	139	43.6 Å²	43.6	74%	0.743	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-29.2	-175.2	-63.4	-33.9	0	0	0	112.5	D1048	D1048-N1050 PolarHBondContact O-N 2.89Å; D1048-N1050 WeakPolarHBondContact OD1-CB 3.4Å; D1048-N1050 PolarHBondContact OD1-N 3.33Å
1051	C	91	Very high	91.8	Very high	38 Å²	38	45.1 Å²	45.1	26%	0.257	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	26.6	175.7	59.1	0	0	0	0	112.4	Y1041 D1048 K1049 V1056	Y1041-C1051 WeakPolarHBondContact CE1-O 3.12Å; Y1041-C1051 PolarHBondContact OH-O 2.99Å; D1048-C1051 CarbonylContact O-C 3.57Å; D1048-C1051 PolarHBondContact O-N 2.77Å; K1049-C1051 VanDerWaalsContact C-N 3.33Å; K1049-C1051 PolarHBondContact O-N 2.99Å; C1051-V1056 HydrophobicContact CB-CG2 4.33Å
1052	S	92.6	Very high	90.6	Very high	22 Å²	22	46.9 Å²	46.9	15%	0.154	25%	0.249	C	C	.	.			trans	-62.4	152.4	174.2	64.8	0	0	0	0	111.2	D1048 K1049 P1054 A1055 V1056	D1048-S1052 PolarHBondContact O-N 3.31Å; K1049-S1052 PolarHBondContact O-N 2.98Å; K1049-S1052 PolarHBondContact O-OG 2.79Å; K1049-S1052 VanDerWaalsContact O-OG 3.1Å; S1052-P1054 VanDerWaalsContact C-CD 3.49Å; S1052-P1054 VanDerWaalsContact C-N 3.33Å; S1052-A1055 WeakPolarHBondContact O-CA 3.34Å; S1052-A1055 WeakPolarHBondContact O-CB 3.39Å; S1052-A1055 PolarHBondContact O-N 2.86Å; S1052-A1055 WeakPolarHBondContact OG-CB 3.23Å; S1052-V1056 PolarHBondContact O-N 3.23Å
1053	P	93.9	Very high	88.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-51	-45	-179.4	-24.3	31.2	0	0	0	113.7	F1015 W1016 V1038 Y1041 E1042 A1055 V1056 F1057 L1084	F1015-P1053 HydrophobicContact CB-CB 4.39Å; W1016-P1053 HydrophobicContact CH2-CB 4.38Å; W1016-P1053 HydrophobicContact CH2-CG 4.27Å; W1016-P1053 HydrophobicContact CZ2-CB 4.37Å; W1016-P1053 HydrophobicContact CZ2-CG 3.86Å; V1038-P1053 HydrophobicContact CG1-CB 4.06Å; V1038-P1053 HydrophobicContact CG1-CG 3.63Å; Y1041-P1053 HydrophobicContact CD1-CG 4.15Å; Y1041-P1053 HydrophobicContact CE1-CG 4.36Å; E1042-P1053 HydrophobicContact CG-CG 4.07Å; P1053-A1055 PolarHBondContact O-N 3Å; P1053-V1056 PolarHBondContact O-N 3.5Å; P1053-F1057 WeakPolarHBondContact O-CD2 3.26Å; P1053-F1057 PolarHBondContact O-N 2.86Å; P1053-F1057 VanDerWaalsContact O-N 3.08Å; P1053-L1084 HydrophobicContact CB-CD1 4.16Å; P1053-L1084 HydrophobicContact CB-CD2 4.4Å; P1053-L1084 HydrophobicContact CG-CD1 4.33Å
1054	P	91.6	Very high	86.9	Confident	36 Å²	36	60 Å²	60	23%	0.234	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-43.2	173.8	-22.4	34.4	0	0	0	113	F1015 W1016 S1052 V1056 M1058	F1015-P1054 HydrophobicContact CB-CG 4.48Å; F1015-P1054 HydrophobicContact CD2-CB 3.8Å; F1015-P1054 HydrophobicContact CD2-CG 3.67Å; F1015-P1054 HydrophobicContact CE2-CB 3.75Å; F1015-P1054 HydrophobicContact CE2-CG 4.11Å; F1015-P1054 HydrophobicContact CG-CB 4.31Å; F1015-P1054 HydrophobicContact CG-CG 4.17Å; F1015-P1054 HydrophobicContact CZ-CB 4.23Å; W1016-P1054 HydrophobicContact CH2-CG 3.96Å; W1016-P1054 HydrophobicContact CZ3-CG 3.99Å; S1052-P1054 VanDerWaalsContact C-CD 3.49Å; S1052-P1054 VanDerWaalsContact C-N 3.33Å; P1054-V1056 PolarHBondContact O-N 3.08Å; P1054-M1058 WeakPolarHBondContact O-CB 3.36Å; P1054-M1058 WeakPolarHBondContact O-CG 3.36Å; P1054-M1058 PolarHBondContact O-N 3.48Å
1055	A	90.8	Very high	85	Confident	34 Å²	34	66.6 Å²	66.6	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-46.4	-179.2	0	0	0	0	0	111.7	S1052 P1053 M1058 E1059	S1052-A1055 WeakPolarHBondContact O-CA 3.34Å; S1052-A1055 WeakPolarHBondContact O-CB 3.39Å; S1052-A1055 PolarHBondContact O-N 2.86Å; S1052-A1055 WeakPolarHBondContact OG-CB 3.23Å; P1053-A1055 PolarHBondContact O-N 3Å; A1055-M1058 PolarHBondContact O-N 3.45Å; A1055-E1059 WeakPolarHBondContact O-CB 3.48Å; A1055-E1059 PolarHBondContact O-N 2.96Å
1056	V	93.3	Very high	83.1	Confident	12 Å²	12	72.8 Å²	72.8	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-67.9	-44.1	-178.3	176.2	0	0	0	0	112.2	C1051 S1052 P1053 P1054 K1060 L1084 P1085	C1051-V1056 HydrophobicContact CB-CG2 4.33Å; S1052-V1056 PolarHBondContact O-N 3.23Å; P1053-V1056 PolarHBondContact O-N 3.5Å; P1054-V1056 PolarHBondContact O-N 3.08Å; V1056-K1060 PolarHBondContact O-N 3.18Å; V1056-L1084 HydrophobicContact CB-CD2 3.91Å; V1056-L1084 HydrophobicContact CG1-CD2 3.83Å; V1056-P1085 HydrophobicContact CG1-CG 4.34Å
1057	F	91.1	Very high	81.4	Confident	8 Å²	8	73.7 Å²	73.7	4%	0.035	40%	0.395	C	S	.	.	H	α-helix	trans	-66.8	-40.9	177	-79.3	-63.2	0	0	0	111.5	F1015 P1053 K1060 M1061 L1074 L1077 L1078 Y1082 L1084	F1015-F1057 HydrophobicContact CB-CD2 4.42Å; F1015-F1057 HydrophobicContact CD1-CB 3.85Å; F1015-F1057 AromaticContact CD1-CD2 3.78Å; F1015-F1057 HydrophobicContact CD1-CD2 3.78Å; F1015-F1057 HydrophobicContact CD1-CG 4.11Å; F1015-F1057 HydrophobicContact CE1-CB 3.83Å; P1053-F1057 WeakPolarHBondContact O-CD2 3.26Å; P1053-F1057 PolarHBondContact O-N 2.86Å; P1053-F1057 VanDerWaalsContact O-N 3.08Å; F1057-K1060 PolarHBondContact O-N 2.92Å; F1057-M1061 HydrophobicContact CB-CE 4.23Å; F1057-M1061 VanDerWaalsContact O-CG 3.29Å; F1057-M1061 WeakPolarHBondContact O-CG 3.35Å; F1057-M1061 PolarHBondContact O-N 3.11Å; F1057-M1061 VanDerWaalsContact O-N 3.09Å; F1057-L1074 HydrophobicContact CB-CD1 4.31Å; F1057-L1074 HydrophobicContact CD1-CD1 3.49Å; F1057-L1074 VanDerWaalsContact CD1-CD1 3.49Å; F1057-L1074 HydrophobicContact CD2-CD1 4.11Å; F1057-L1074 HydrophobicContact CE1-CD1 3.7Å; F1057-L1074 HydrophobicContact CE2-CD1 4.3Å; F1057-L1074 HydrophobicContact CG-CD1 3.72Å; F1057-L1074 HydrophobicContact CZ-CD1 4.12Å; F1057-L1077 HydrophobicContact CD1-CD1 4.45Å; F1057-L1078 HydrophobicContact CE1-CD2 4.24Å; F1057-L1078 HydrophobicContact CZ-CD2 4.27Å; F1057-Y1082 HydrophobicContact CD1-CD1 4.2Å; F1057-Y1082 AromaticContact CD1-CE1 3.98Å; F1057-Y1082 HydrophobicContact CD1-CE1 3.98Å; F1057-Y1082 AromaticContact CE1-CD1 3.88Å; F1057-Y1082 HydrophobicContact CE1-CD1 3.88Å; F1057-Y1082 AromaticContact CE1-CE1 3.93Å; F1057-Y1082 HydrophobicContact CE1-CE1 3.93Å; F1057-L1084 HydrophobicContact CD2-CD2 4.08Å; F1057-L1084 HydrophobicContact CE2-CD1 4.29Å; F1057-L1084 HydrophobicContact CE2-CD2 3.72Å; F1057-L1084 HydrophobicContact CE2-CG 3.89Å; F1057-L1084 HydrophobicContact CZ-CD2 4.13Å; F1057-L1084 HydrophobicContact CZ-CG 4.04Å
1058	M	87.5	Confident	79.6	Confident	71 Å²	71	82.4 Å²	82.4	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-38.4	178.5	-68.2	-71.3	-78.1	0	0	112.1	F1015 P1054 A1055 K1060 M1061 G1062 I1070	F1015-M1058 HydrophobicContact CZ-CG 4.22Å; F1015-M1058 HydrophobicContact CZ-SD 4.22Å; P1054-M1058 WeakPolarHBondContact O-CB 3.36Å; P1054-M1058 WeakPolarHBondContact O-CG 3.36Å; P1054-M1058 PolarHBondContact O-N 3.48Å; A1055-M1058 PolarHBondContact O-N 3.45Å; M1058-K1060 VanDerWaalsContact C-N 3.3Å; M1058-K1060 PolarHBondContact O-N 2.7Å; M1058-M1061 PolarHBondContact O-N 2.83Å; M1058-M1061 HydrophobicContact SD-SD 4.49Å; M1058-G1062 PolarHBondContact O-N 3.25Å; M1058-I1070 HydrophobicContact CE-CD1 4.23Å; M1058-I1070 HydrophobicContact SD-CD1 4.28Å; M1058-I1070 HydrophobicContact SD-CG2 4.22Å
1059	E	87.8	Confident	78.5	Confident	155 Å²	155	84.2 Å²	84.2	72%	0.724	44%	0.442	S	S	*	.	H	α-helix	trans	-58.7	-43.6	172.7	-175.9	-175.3	173.5	0	0	111.1	A1055 M1061 G1062	A1055-E1059 WeakPolarHBondContact O-CB 3.48Å; A1055-E1059 PolarHBondContact O-N 2.96Å; E1059-M1061 VanDerWaalsContact C-N 3.33Å; E1059-M1061 PolarHBondContact O-N 2.75Å; E1059-G1062 PolarHBondContact O-N 3.4Å
1060	K	86	Confident	78.2	Confident	118 Å²	118	79.1 Å²	79.1	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-68.4	-30	-179.7	-167.4	63.6	174.9	179.8	0	113.5	V1056 F1057 M1058 L1077 Y1082	V1056-K1060 PolarHBondContact O-N 3.18Å; F1057-K1060 PolarHBondContact O-N 2.92Å; M1058-K1060 VanDerWaalsContact C-N 3.3Å; M1058-K1060 PolarHBondContact O-N 2.7Å; K1060-L1077 HydrophobicContact CB-CD1 4.23Å; K1060-L1077 HydrophobicContact CG-CD1 4.05Å; K1060-L1077 HydrophobicContact CG-CD2 3.87Å; K1060-Y1082 HydrophobicContact CB-CE1 4.19Å; K1060-Y1082 HydrophobicContact CD-CE2 3.92Å; K1060-Y1082 HydrophobicContact CG-CD1 4.35Å; K1060-Y1082 HydrophobicContact CG-CD2 4.45Å; K1060-Y1082 HydrophobicContact CG-CE1 3.93Å; K1060-Y1082 HydrophobicContact CG-CE2 4.03Å
1061	M	84.6	Confident	77.8	Confident	33 Å²	33	74.7 Å²	74.7	16%	0.163	40%	0.399	C	S	.	.	H	α-helix	trans	-77.3	-21.3	177.7	-68.1	174.7	-164.9	0	0	113.5	F1057 M1058 E1059 I1070 H1073 L1074 L1077	F1057-M1061 HydrophobicContact CB-CE 4.23Å; F1057-M1061 VanDerWaalsContact O-CG 3.29Å; F1057-M1061 WeakPolarHBondContact O-CG 3.35Å; F1057-M1061 PolarHBondContact O-N 3.11Å; F1057-M1061 VanDerWaalsContact O-N 3.09Å; M1058-M1061 PolarHBondContact O-N 2.83Å; M1058-M1061 HydrophobicContact SD-SD 4.49Å; E1059-M1061 VanDerWaalsContact C-N 3.33Å; E1059-M1061 PolarHBondContact O-N 2.75Å; M1061-I1070 HydrophobicContact SD-CG2 4.33Å; M1061-H1073 HydrophobicContact CE-CB 4.19Å; M1061-H1073 HydrophobicContact CG-CB 3.89Å; M1061-H1073 HydrophobicContact SD-CB 3.76Å; M1061-L1074 VanDerWaalsContact CE-CA 3.48Å; M1061-L1074 HydrophobicContact CE-CB 3.64Å; M1061-L1074 HydrophobicContact CE-CD1 3.94Å; M1061-L1074 HydrophobicContact CE-CG 4.38Å; M1061-L1077 HydrophobicContact CE-CD1 3.93Å; M1061-L1077 HydrophobicContact CG-CD1 3.78Å
1062	G	72.7	Confident	77.5	Confident	40 Å²	40	79.7 Å²	79.7	41%	0.412	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-152	178.6	0	0	0	0	0	114.8	M1058 E1059 E1064	M1058-G1062 PolarHBondContact O-N 3.25Å; E1059-G1062 PolarHBondContact O-N 3.4Å; G1062-E1064 PolarHBondContact O-N 2.82Å
1063	N	60.9	Low	77.1	Confident	147 Å²	147	80.5 Å²	80.5	79%	0.786	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2.1	-168.4	-77.4	-31.6	0	0	0	115.7	K1065	N1063-K1065 VanDerWaalsContact C-N 3.32Å; N1063-K1065 PolarHBondContact O-N 3.4Å
1064	E	55.8	Low	76.8	Confident	138 Å²	138	80.5 Å²	80.5	65%	0.645	42%	0.415	S	S	*	.			trans	-79	77.4	178.6	-68.8	-175.1	168.2	0	0	111.1	G1062 Q1066 H1073	G1062-E1064 PolarHBondContact O-N 2.82Å; E1064-Q1066 PolarHBondContact O-N 3.47Å; E1064-H1073 IonicContact OE2-CE1 2.61Å; E1064-H1073 PolarHBondContact OE2-CE1 3.06Å; E1064-H1073 IonicContact OE2-NE2 3.28Å
1065	K	56.2	Low	76.7	Confident	149 Å²	149	80 Å²	80	65%	0.648	41%	0.41	S	S	*	.			trans	-95.6	54.2	-171.2	-62.1	176.6	-175.3	176.4	0	113.7	N1063	N1063-K1065 VanDerWaalsContact C-N 3.32Å; N1063-K1065 PolarHBondContact O-N 3.4Å
1066	Q	54	Low	76.6	Confident	144 Å²	144	81.4 Å²	81.4	67%	0.673	41%	0.413	S	S	*	.			trans	-102.5	123.2	165.8	-96.5	90	14.8	0	0	111.3	E1064 Q1068 M1069	E1064-Q1066 PolarHBondContact O-N 3.47Å; Q1066-Q1068 VanDerWaalsContact C-N 3.27Å; Q1066-Q1068 PolarHBondContact O-N 3.04Å; Q1066-M1069 PolarHBondContact O-N 2.79Å
1067	G	56.8	Low	76.5	Confident	63 Å²	63	81.8 Å²	81.8	65%	0.649	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.9	-165.7	0	0	0	0	0	117.3
1068	Q	54.9	Low	76.6	Confident	189 Å²	189	81.6 Å²	81.6	88%	0.883	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-18.1	177.2	-72.4	179.1	-12.5	0	0	113.7	Q1066	Q1066-Q1068 VanDerWaalsContact C-N 3.27Å; Q1066-Q1068 PolarHBondContact O-N 3.04Å
1069	M	69.4	Low	76.7	Confident	89 Å²	89	85.4 Å²	85.4	44%	0.438	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.1	179.6	-65.3	-60.1	-66.1	0	0	113.1	Q1066 V1071 Y1072 H1073	Q1066-M1069 PolarHBondContact O-N 2.79Å; M1069-V1071 VanDerWaalsContact C-N 3.35Å; M1069-V1071 PolarHBondContact O-N 3.01Å; M1069-Y1072 HydrophobicContact CE-CD1 3.9Å; M1069-Y1072 HydrophobicContact CE-CE1 4.49Å; M1069-Y1072 HydrophobicContact CE-CG 4.33Å; M1069-Y1072 WeakPolarHBondContact O-CB 3.47Å; M1069-Y1072 PolarHBondContact O-N 2.66Å; M1069-Y1072 VanDerWaalsContact O-N 3.09Å; M1069-H1073 PolarHBondContact O-CD2 2.56Å; M1069-H1073 PolarHBondContact O-N 3.2Å
1070	I	81.4	Confident	76.8	Confident	34 Å²	34	84.3 Å²	84.3	17%	0.174	42%	0.423	C	S	.	.	H	α-helix	trans	-58.2	-45.2	-176.6	-62	174.8	0	0	0	111.6	I1014 F1015 M1058 M1061 Y1072 H1073 L1074	I1014-I1070 HydrophobicContact CD1-CG2 3.93Å; F1015-I1070 HydrophobicContact CE1-CG2 4.34Å; F1015-I1070 HydrophobicContact CZ-CG2 4.01Å; M1058-I1070 HydrophobicContact CE-CD1 4.23Å; M1058-I1070 HydrophobicContact SD-CD1 4.28Å; M1058-I1070 HydrophobicContact SD-CG2 4.22Å; M1061-I1070 HydrophobicContact SD-CG2 4.33Å; I1070-Y1072 VanDerWaalsContact C-N 3.32Å; I1070-Y1072 PolarHBondContact O-N 3.18Å; I1070-H1073 PolarHBondContact O-N 3.08Å; I1070-L1074 VanDerWaalsContact O-CB 3.3Å; I1070-L1074 WeakPolarHBondContact O-CB 3.25Å; I1070-L1074 PolarHBondContact O-N 2.94Å
1071	V	81.9	Confident	77	Confident	46 Å²	46	81 Å²	81	28%	0.279	42%	0.422	S	S	.	.	H	α-helix	trans	-64.8	-39.1	178.5	177.8	0	0	0	0	110.9	I1014 L1022 M1069 L1074 I1075	I1014-V1071 HydrophobicContact CB-CG2 4.46Å; I1014-V1071 HydrophobicContact CD1-CG2 3.72Å; I1014-V1071 HydrophobicContact CG2-CG2 4.03Å; L1022-V1071 HydrophobicContact CD2-CG1 4.25Å; M1069-V1071 VanDerWaalsContact C-N 3.35Å; M1069-V1071 PolarHBondContact O-N 3.01Å; V1071-L1074 PolarHBondContact O-N 3.38Å; V1071-I1075 HydrophobicContact CG1-CD1 3.82Å; V1071-I1075 HydrophobicContact CG1-CG1 4.42Å; V1071-I1075 WeakPolarHBondContact O-CB 3.21Å; V1071-I1075 WeakPolarHBondContact O-CD1 3.22Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.48Å; V1071-I1075 PolarHBondContact O-N 3.2Å
1072	Y	83.4	Confident	77.5	Confident	144 Å²	144	82.2 Å²	82.2	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-63.9	-49.6	177.5	178.5	-93	0	0	0	111.8	M1069 I1070 L1074 I1075 D1076	M1069-Y1072 HydrophobicContact CE-CD1 3.9Å; M1069-Y1072 HydrophobicContact CE-CE1 4.49Å; M1069-Y1072 HydrophobicContact CE-CG 4.33Å; M1069-Y1072 WeakPolarHBondContact O-CB 3.47Å; M1069-Y1072 PolarHBondContact O-N 2.66Å; M1069-Y1072 VanDerWaalsContact O-N 3.09Å; I1070-Y1072 VanDerWaalsContact C-N 3.32Å; I1070-Y1072 PolarHBondContact O-N 3.18Å; Y1072-L1074 VanDerWaalsContact C-N 3.29Å; Y1072-L1074 PolarHBondContact O-N 2.73Å; Y1072-I1075 PolarHBondContact O-N 2.93Å; Y1072-D1076 PolarHBondContact O-N 2.86Å
1073	H	85.3	Confident	78.5	Confident	39 Å²	39	81.7 Å²	81.7	18%	0.181	41%	0.411	C	S	.	.	H	α-helix	trans	-63.4	-35.2	175.9	-69	-71.9	0	0	0	112	M1061 E1064 M1069 I1070 D1076 L1077	M1061-H1073 HydrophobicContact CE-CB 4.19Å; M1061-H1073 HydrophobicContact CG-CB 3.89Å; M1061-H1073 HydrophobicContact SD-CB 3.76Å; E1064-H1073 IonicContact OE2-CE1 2.61Å; E1064-H1073 PolarHBondContact OE2-CE1 3.06Å; E1064-H1073 IonicContact OE2-NE2 3.28Å; M1069-H1073 PolarHBondContact O-CD2 2.56Å; M1069-H1073 PolarHBondContact O-N 3.2Å; I1070-H1073 PolarHBondContact O-N 3.08Å; H1073-D1076 PolarHBondContact O-N 2.9Å; H1073-L1077 WeakPolarHBondContact O-CB 3.32Å; H1073-L1077 WeakPolarHBondContact O-CG 2.98Å; H1073-L1077 PolarHBondContact O-N 2.82Å
1074	L	88.3	Confident	80.2	Confident	1 Å²	1	75 Å²	75	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-63.6	-47.2	175	-174.1	59.2	0	0	0	111.1	I1014 F1015 L1022 F1057 M1061 I1070 V1071 Y1072 D1076 L1077 L1078	I1014-L1074 HydrophobicContact CB-CD2 4.46Å; I1014-L1074 WeakPolarHBondContact O-CD2 3.34Å; F1015-L1074 HydrophobicContact CD1-CD1 4.39Å; F1015-L1074 HydrophobicContact CD1-CD2 4.07Å; F1015-L1074 HydrophobicContact CE1-CD2 4.49Å; L1022-L1074 HydrophobicContact CD1-CD2 3.93Å; L1022-L1074 HydrophobicContact CD1-CG 4.17Å; F1057-L1074 HydrophobicContact CB-CD1 4.31Å; F1057-L1074 HydrophobicContact CD1-CD1 3.49Å; F1057-L1074 VanDerWaalsContact CD1-CD1 3.49Å; F1057-L1074 HydrophobicContact CD2-CD1 4.11Å; F1057-L1074 HydrophobicContact CE1-CD1 3.7Å; F1057-L1074 HydrophobicContact CE2-CD1 4.3Å; F1057-L1074 HydrophobicContact CG-CD1 3.72Å; F1057-L1074 HydrophobicContact CZ-CD1 4.12Å; M1061-L1074 VanDerWaalsContact CE-CA 3.48Å; M1061-L1074 HydrophobicContact CE-CB 3.64Å; M1061-L1074 HydrophobicContact CE-CD1 3.94Å; M1061-L1074 HydrophobicContact CE-CG 4.38Å; I1070-L1074 VanDerWaalsContact O-CB 3.3Å; I1070-L1074 WeakPolarHBondContact O-CB 3.25Å; I1070-L1074 PolarHBondContact O-N 2.94Å; V1071-L1074 PolarHBondContact O-N 3.38Å; Y1072-L1074 VanDerWaalsContact C-N 3.29Å; Y1072-L1074 PolarHBondContact O-N 2.73Å; L1074-D1076 VanDerWaalsContact C-N 3.3Å; L1074-D1076 PolarHBondContact O-N 2.79Å; L1074-L1077 PolarHBondContact O-N 3.1Å; L1074-L1078 HydrophobicContact CD1-CD1 4.41Å; L1074-L1078 HydrophobicContact CD1-CG 4.41Å; L1074-L1078 HydrophobicContact CG-CD1 4.19Å; L1074-L1078 WeakPolarHBondContact O-CB 3.36Å; L1074-L1078 VanDerWaalsContact O-CG 3.26Å; L1074-L1078 WeakPolarHBondContact O-CG 3.48Å; L1074-L1078 PolarHBondContact O-N 2.89Å
1075	I	88.8	Confident	82	Confident	25 Å²	25	71.4 Å²	71.4	13%	0.128	36%	0.364	C	S	.	.	H	α-helix	trans	-58.7	-44.6	175.9	-70.8	163.2	0	0	0	110.4	L1022 T1023 V1071 Y1072 L1078 K1079	L1022-I1075 HydrophobicContact CB-CD1 4Å; L1022-I1075 HydrophobicContact CB-CG1 3.75Å; L1022-I1075 HydrophobicContact CD1-CG1 4.24Å; T1023-I1075 HydrophobicContact CG2-CD1 3.89Å; T1023-I1075 HydrophobicContact CG2-CG1 4.03Å; T1023-I1075 HydrophobicContact CG2-CG2 3.64Å; V1071-I1075 HydrophobicContact CG1-CD1 3.82Å; V1071-I1075 HydrophobicContact CG1-CG1 4.42Å; V1071-I1075 WeakPolarHBondContact O-CB 3.21Å; V1071-I1075 WeakPolarHBondContact O-CD1 3.22Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.48Å; V1071-I1075 PolarHBondContact O-N 3.2Å; Y1072-I1075 PolarHBondContact O-N 2.93Å; I1075-L1078 PolarHBondContact O-N 2.72Å; I1075-K1079 HydrophobicContact CG2-CD 3.93Å; I1075-K1079 HydrophobicContact CG2-CG 4.34Å; I1075-K1079 WeakPolarHBondContact O-CB 3.44Å; I1075-K1079 VanDerWaalsContact O-CG 3.3Å; I1075-K1079 WeakPolarHBondContact O-CG 3.45Å; I1075-K1079 PolarHBondContact O-N 3.45Å
1076	D	89	Confident	83.8	Confident	64 Å²	64	67.2 Å²	67.2	34%	0.342	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-47.4	180	-172.8	40.7	0	0	0	111.9	Y1072 H1073 L1074 L1078 K1079 Q1080	Y1072-D1076 PolarHBondContact O-N 2.86Å; H1073-D1076 PolarHBondContact O-N 2.9Å; L1074-D1076 VanDerWaalsContact C-N 3.3Å; L1074-D1076 PolarHBondContact O-N 2.79Å; D1076-L1078 PolarHBondContact O-N 2.81Å; D1076-K1079 PolarHBondContact O-N 3.32Å; D1076-Q1080 VanDerWaalsContact O-CG 3.3Å; D1076-Q1080 WeakPolarHBondContact O-CG 3.47Å; D1076-Q1080 PolarHBondContact O-N 2.63Å; D1076-Q1080 PolarHBondContact OD1-NE2 2.99Å; D1076-Q1080 PolarHBondContact OD2-NE2 2.91Å
1077	L	91.9	Very high	85.6	Confident	20 Å²	20	60.9 Å²	60.9	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-56.8	-47.3	173.8	-74.9	175.4	0	0	0	112	F1057 K1060 M1061 H1073 L1074 K1079 Q1080 G1081 Y1082	F1057-L1077 HydrophobicContact CD1-CD1 4.45Å; K1060-L1077 HydrophobicContact CB-CD1 4.23Å; K1060-L1077 HydrophobicContact CG-CD1 4.05Å; K1060-L1077 HydrophobicContact CG-CD2 3.87Å; M1061-L1077 HydrophobicContact CE-CD1 3.93Å; M1061-L1077 HydrophobicContact CG-CD1 3.78Å; H1073-L1077 WeakPolarHBondContact O-CB 3.32Å; H1073-L1077 WeakPolarHBondContact O-CG 2.98Å; H1073-L1077 PolarHBondContact O-N 2.82Å; L1074-L1077 PolarHBondContact O-N 3.1Å; L1077-K1079 VanDerWaalsContact C-N 3.33Å; L1077-K1079 PolarHBondContact O-N 2.76Å; L1077-Q1080 PolarHBondContact O-N 2.86Å; L1077-G1081 PolarHBondContact O-N 2.8Å; L1077-Y1082 HydrophobicContact CB-CD1 4.32Å; L1077-Y1082 HydrophobicContact CD1-CD1 4.47Å; L1077-Y1082 HydrophobicContact CD2-CG 4.47Å; L1077-Y1082 VanDerWaalsContact O-CB 3.25Å; L1077-Y1082 WeakPolarHBondContact O-CB 3.41Å; L1077-Y1082 PolarHBondContact O-N 3Å
1078	L	92.9	Very high	87	Confident	5 Å²	5	66 Å²	66	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-36.5	-179.7	-68.1	178	0	0	0	112	P1019 L1022 W1034 F1057 L1074 I1075 D1076 G1081 R1083	P1019-L1078 HydrophobicContact CG-CB 4.42Å; P1019-L1078 HydrophobicContact CG-CD1 4.32Å; L1022-L1078 HydrophobicContact CD1-CD1 3.89Å; W1034-L1078 HydrophobicContact CH2-CD2 4.1Å; W1034-L1078 HydrophobicContact CZ2-CD1 4.1Å; W1034-L1078 HydrophobicContact CZ2-CD2 3.8Å; F1057-L1078 HydrophobicContact CE1-CD2 4.24Å; F1057-L1078 HydrophobicContact CZ-CD2 4.27Å; L1074-L1078 HydrophobicContact CD1-CD1 4.41Å; L1074-L1078 HydrophobicContact CD1-CG 4.41Å; L1074-L1078 HydrophobicContact CG-CD1 4.19Å; L1074-L1078 WeakPolarHBondContact O-CB 3.36Å; L1074-L1078 VanDerWaalsContact O-CG 3.26Å; L1074-L1078 WeakPolarHBondContact O-CG 3.48Å; L1074-L1078 PolarHBondContact O-N 2.89Å; I1075-L1078 PolarHBondContact O-N 2.72Å; D1076-L1078 PolarHBondContact O-N 2.81Å; L1078-G1081 PolarHBondContact O-N 2.98Å; L1078-G1081 VanDerWaalsContact O-N 3.15Å; L1078-R1083 PolarHBondContact O-NH1 2.6Å
1079	K	88.6	Confident	88.3	Confident	150 Å²	150	63.9 Å²	63.9	65%	0.652	33%	0.33	S	S	*	.	H	α-helix	trans	-67.3	-35.8	174.2	-79.5	179.4	177	179.6	0	112.6	I1075 D1076 L1077 G1081	I1075-K1079 HydrophobicContact CG2-CD 3.93Å; I1075-K1079 HydrophobicContact CG2-CG 4.34Å; I1075-K1079 WeakPolarHBondContact O-CB 3.44Å; I1075-K1079 VanDerWaalsContact O-CG 3.3Å; I1075-K1079 WeakPolarHBondContact O-CG 3.45Å; I1075-K1079 PolarHBondContact O-N 3.45Å; D1076-K1079 PolarHBondContact O-N 3.32Å; L1077-K1079 VanDerWaalsContact C-N 3.33Å; L1077-K1079 PolarHBondContact O-N 2.76Å; K1079-G1081 PolarHBondContact O-N 3.32Å
1080	Q	90	Very high	89.2	Confident	133 Å²	133	60.7 Å²	60.7	62%	0.621	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	0.8	172.4	-67.7	172.8	27.4	0	0	113	D1076 L1077 Y1082	D1076-Q1080 VanDerWaalsContact O-CG 3.3Å; D1076-Q1080 WeakPolarHBondContact O-CG 3.47Å; D1076-Q1080 PolarHBondContact O-N 2.63Å; D1076-Q1080 PolarHBondContact OD1-NE2 2.99Å; D1076-Q1080 PolarHBondContact OD2-NE2 2.91Å; L1077-Q1080 PolarHBondContact O-N 2.86Å; Q1080-Y1082 VanDerWaalsContact C-N 3.34Å
1081	G	90.8	Very high	89.6	Confident	47 Å²	47	59.6 Å²	59.6	49%	0.485	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	6.3	177.8	0	0	0	0	0	114	L1077 L1078 K1079	L1077-G1081 PolarHBondContact O-N 2.8Å; L1078-G1081 PolarHBondContact O-N 2.98Å; L1078-G1081 VanDerWaalsContact O-N 3.15Å; K1079-G1081 PolarHBondContact O-N 3.32Å
1082	Y	94.1	Very high	90	Very high	60 Å²	60	65.8 Å²	65.8	24%	0.235	34%	0.335	C	S	.	.			trans	-64.9	138.7	175.1	-175.2	-102.2	0	0	0	110.4	F1057 K1060 L1077 Q1080	F1057-Y1082 HydrophobicContact CD1-CD1 4.2Å; F1057-Y1082 AromaticContact CD1-CE1 3.98Å; F1057-Y1082 HydrophobicContact CD1-CE1 3.98Å; F1057-Y1082 AromaticContact CE1-CD1 3.88Å; F1057-Y1082 HydrophobicContact CE1-CD1 3.88Å; F1057-Y1082 AromaticContact CE1-CE1 3.93Å; F1057-Y1082 HydrophobicContact CE1-CE1 3.93Å; K1060-Y1082 HydrophobicContact CB-CE1 4.19Å; K1060-Y1082 HydrophobicContact CD-CE2 3.92Å; K1060-Y1082 HydrophobicContact CG-CD1 4.35Å; K1060-Y1082 HydrophobicContact CG-CD2 4.45Å; K1060-Y1082 HydrophobicContact CG-CE1 3.93Å; K1060-Y1082 HydrophobicContact CG-CE2 4.03Å; L1077-Y1082 HydrophobicContact CB-CD1 4.32Å; L1077-Y1082 HydrophobicContact CD1-CD1 4.47Å; L1077-Y1082 HydrophobicContact CD2-CG 4.47Å; L1077-Y1082 VanDerWaalsContact O-CB 3.25Å; L1077-Y1082 WeakPolarHBondContact O-CB 3.41Å; L1077-Y1082 PolarHBondContact O-N 3Å; Q1080-Y1082 VanDerWaalsContact C-N 3.34Å
1083	R	95.2	Very high	90.4	Very high	29 Å²	29	63.9 Å²	63.9	11%	0.109	33%	0.331	C	S	.	.			trans	-137.4	165.9	177.1	-63.6	-61.1	-178.4	-90.9	2.4	109.1	L1078 M1099 W1102 S1104	L1078-R1083 PolarHBondContact O-NH1 2.6Å; R1083-M1099 HydrophobicContact CB-CE 4.38Å; R1083-M1099 HydrophobicContact CB-SD 4.1Å; R1083-M1099 HydrophobicContact CG-CE 3.98Å; R1083-M1099 HydrophobicContact CG-SD 4.19Å; R1083-W1102 HydrophobicContact CB-CE3 3.92Å; R1083-W1102 HydrophobicContact CB-CZ3 4.25Å; R1083-W1102 HydrophobicContact CG-CB 4.46Å; R1083-W1102 HydrophobicContact CG-CE3 4.22Å; R1083-W1102 PolarHBondContact NE-O 2.82Å; R1083-W1102 PolarHBondContact NH2-O 2.87Å; R1083-S1104 PolarHBondContact NH2-OG 2.87Å; R1083-S1104 VanDerWaalsContact NH2-OG 3.09Å
1084	L	95.2	Very high	90.8	Very high	6 Å²	6	62 Å²	62	3%	0.031	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-59.3	142	172.3	-68.1	166	0	0	0	109.6	V1038 Y1041 P1053 V1056 F1057 W1102	V1038-L1084 HydrophobicContact CG1-CD1 4.14Å; Y1041-L1084 HydrophobicContact CD1-CD1 3.73Å; Y1041-L1084 HydrophobicContact CD2-CB 3.82Å; Y1041-L1084 HydrophobicContact CD2-CD1 4.31Å; Y1041-L1084 HydrophobicContact CE1-CD1 4.15Å; Y1041-L1084 HydrophobicContact CE1-CD2 4.25Å; Y1041-L1084 HydrophobicContact CE2-CB 3.89Å; Y1041-L1084 HydrophobicContact CG-CB 4.2Å; Y1041-L1084 HydrophobicContact CG-CD1 3.81Å; P1053-L1084 HydrophobicContact CB-CD1 4.16Å; P1053-L1084 HydrophobicContact CB-CD2 4.4Å; P1053-L1084 HydrophobicContact CG-CD1 4.33Å; V1056-L1084 HydrophobicContact CB-CD2 3.91Å; V1056-L1084 HydrophobicContact CG1-CD2 3.83Å; F1057-L1084 HydrophobicContact CD2-CD2 4.08Å; F1057-L1084 HydrophobicContact CE2-CD1 4.29Å; F1057-L1084 HydrophobicContact CE2-CD2 3.72Å; F1057-L1084 HydrophobicContact CE2-CG 3.89Å; F1057-L1084 HydrophobicContact CZ-CD2 4.13Å; F1057-L1084 HydrophobicContact CZ-CG 4.04Å; L1084-W1102 HydrophobicContact CB-CH2 3.74Å; L1084-W1102 HydrophobicContact CB-CZ2 4.38Å; L1084-W1102 HydrophobicContact CB-CZ3 4.19Å; L1084-W1102 HydrophobicContact CD1-CH2 4.19Å; L1084-W1102 HydrophobicContact CD1-CZ2 4.01Å; L1084-W1102 HydrophobicContact CG-CH2 4.47Å
1085	P	94	Very high	91.1	Very high	63 Å²	63	64.6 Å²	64.6	41%	0.409	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-67.9	162.9	-177.9	29.2	-35.1	0	0	0	111.3	Y1041 V1056 P1087	Y1041-P1085 HydrophobicContact CE2-CG 4.42Å; Y1041-P1085 WeakPolarHBondContact CE2-O 3.15Å; V1056-P1085 HydrophobicContact CG1-CG 4.34Å; P1085-P1087 WeakPolarHBondContact O-CD 3.39Å
1086	A	93.4	Very high	91.4	Very high	61 Å²	61	69.5 Å²	69.5	50%	0.504	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-62.2	126.1	172.2	0	0	0	0	0	110.3	H1095	A1086-H1095 VanDerWaalsContact CB-CD2 3.49Å; A1086-H1095 WeakPolarHBondContact CB-CD2 3.36Å
1087	P	93.1	Very high	91.8	Very high	10 Å²	10	66.5 Å²	66.5	7%	0.065	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.8	172.9	-19.2	30.5	0	0	0	111.4	Y1041 F1044 T1045 P1085 N1089 C1090 M1098	Y1041-P1087 HydrophobicContact CD2-CG 3.65Å; Y1041-P1087 HydrophobicContact CE2-CG 3.97Å; Y1041-P1087 HydrophobicContact CG-CG 4.49Å; F1044-P1087 HydrophobicContact CB-CB 3.87Å; F1044-P1087 HydrophobicContact CB-CG 3.9Å; T1045-P1087 HydrophobicContact CG2-CB 3.84Å; T1045-P1087 HydrophobicContact CG2-CG 4.1Å; P1085-P1087 WeakPolarHBondContact O-CD 3.39Å; P1087-N1089 PolarHBondContact O-N 3.2Å; P1087-C1090 HydrophobicContact CB-CB 4Å; P1087-C1090 HydrophobicContact CG-CB 4.25Å; P1087-C1090 WeakPolarHBondContact O-CB 3.39Å; P1087-C1090 PolarHBondContact O-N 2.85Å; P1087-M1098 HydrophobicContact CG-CE 4.1Å; P1087-M1098 HydrophobicContact CG-SD 4.47Å
1088	E	85.9	Confident	92.1	Very high	170 Å²	170	65.6 Å²	65.6	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	135.4	176.5	-162.6	176.3	-176.1	0	0	110.4	C1090	E1088-C1090 PolarHBondContact O-N 2.86Å; E1088-C1090 VanDerWaalsContact O-N 3.15Å
1089	N	81.6	Confident	92.3	Very high	145 Å²	145	69.1 Å²	69.1	78%	0.775	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	16	-176.3	-54.4	-47.9	0	0	0	115.8	P1087	P1087-N1089 PolarHBondContact O-N 3.2Å
1090	C	88.1	Confident	92.7	Very high	22 Å²	22	64.7 Å²	64.7	15%	0.149	33%	0.333	C	S	.	.			trans	-72.3	132.1	173.5	-175.6	0	0	0	0	111.7	F1044 P1087 E1088	F1044-C1090 HydrophobicContact CB-CB 4.4Å; F1044-C1090 HydrophobicContact CD1-CB 4.22Å; F1044-C1090 HydrophobicContact CG-CB 4.47Å; P1087-C1090 HydrophobicContact CB-CB 4Å; P1087-C1090 HydrophobicContact CG-CB 4.25Å; P1087-C1090 WeakPolarHBondContact O-CB 3.39Å; P1087-C1090 PolarHBondContact O-N 2.85Å; E1088-C1090 PolarHBondContact O-N 2.86Å; E1088-C1090 VanDerWaalsContact O-N 3.15Å
1091	P	90	Very high	93.1	Very high	12 Å²	12	58.4 Å²	58.4	8%	0.078	30%	0.303	C	S	.	.			trans	-58.7	140.4	173.2	-22.1	33.1	0	0	0	111.9	F1044 E1093 I1094 H1095	F1044-P1091 HydrophobicContact CE1-CG 4.17Å; P1091-E1093 PolarHBondContact O-N 3.46Å; P1091-I1094 HydrophobicContact CB-CB 4.34Å; P1091-I1094 HydrophobicContact CB-CG1 4Å; P1091-I1094 HydrophobicContact CG-CG1 4.15Å; P1091-I1094 PolarHBondContact O-N 2.98Å; P1091-H1095 PolarHBondContact O-N 3.16Å
1092	K	90.4	Very high	93.4	Very high	176 Å²	176	56.4 Å²	56.4	77%	0.765	28%	0.281	S	S	*	.	H	α-helix	trans	-60.2	-35.3	-177.1	-69.3	-178.2	-179.5	176.1	0	111.9	I1094 H1095 K1096	K1092-I1094 VanDerWaalsContact C-N 3.29Å; K1092-I1094 PolarHBondContact O-N 3.12Å; K1092-H1095 PolarHBondContact O-N 3.31Å; K1092-K1096 VanDerWaalsContact O-CB 3.32Å; K1092-K1096 WeakPolarHBondContact O-CB 3.43Å; K1092-K1096 PolarHBondContact O-N 3.12Å
1093	E	92.1	Very high	93.6	Very high	103 Å²	103	54.8 Å²	54.8	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-37.3	178.4	-61	67.3	-143.5	0	0	111	P1091 M1097 V1122	P1091-E1093 PolarHBondContact O-N 3.46Å; E1093-M1097 PolarHBondContact O-N 3.32Å; E1093-V1122 HydrophobicContact CB-CG1 4.48Å; E1093-V1122 HydrophobicContact CB-CG2 3.72Å; E1093-V1122 HydrophobicContact CG-CG2 4.3Å
1094	I	93.5	Very high	93.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-76.9	-42.9	178.5	-60.9	-57.7	0	0	0	111	L950 F1044 P1091 K1092 K1096 M1097 M1098 V1122	L950-I1094 HydrophobicContact CD2-CD1 3.33Å; L950-I1094 HydrophobicContact CD2-CG1 3.81Å; F1044-I1094 HydrophobicContact CD2-CG2 3.94Å; F1044-I1094 HydrophobicContact CE2-CB 4.5Å; F1044-I1094 HydrophobicContact CE2-CG2 3.57Å; F1044-I1094 HydrophobicContact CZ-CB 4.46Å; F1044-I1094 HydrophobicContact CZ-CG1 4.18Å; F1044-I1094 HydrophobicContact CZ-CG2 3.99Å; P1091-I1094 HydrophobicContact CB-CB 4.34Å; P1091-I1094 HydrophobicContact CB-CG1 4Å; P1091-I1094 HydrophobicContact CG-CG1 4.15Å; P1091-I1094 PolarHBondContact O-N 2.98Å; K1092-I1094 VanDerWaalsContact C-N 3.29Å; K1092-I1094 PolarHBondContact O-N 3.12Å; I1094-K1096 VanDerWaalsContact C-N 3.28Å; I1094-K1096 PolarHBondContact O-N 3.15Å; I1094-M1097 HydrophobicContact CD1-CE 4.28Å; I1094-M1097 WeakPolarHBondContact O-CA 3.01Å; I1094-M1097 WeakPolarHBondContact O-CB 3.48Å; I1094-M1097 PolarHBondContact O-N 3.22Å; I1094-M1097 VanDerWaalsContact O-N 3.07Å; I1094-M1098 HydrophobicContact CG2-CE 3.8Å; I1094-M1098 WeakPolarHBondContact O-CG 3.38Å; I1094-M1098 PolarHBondContact O-N 3.3Å; I1094-V1122 HydrophobicContact CD1-CB 4.36Å; I1094-V1122 HydrophobicContact CD1-CG1 4.05Å; I1094-V1122 HydrophobicContact CD1-CG2 4.38Å; I1094-V1122 HydrophobicContact CG1-CG1 4.23Å
1095	H	94.5	Very high	93.4	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-59.4	-41.1	172.1	179.9	-106.3	0	0	0	111.7	A1086 P1091 K1092 M1097 M1098 M1099	A1086-H1095 VanDerWaalsContact CB-CD2 3.49Å; A1086-H1095 WeakPolarHBondContact CB-CD2 3.36Å; P1091-H1095 PolarHBondContact O-N 3.16Å; K1092-H1095 PolarHBondContact O-N 3.31Å; H1095-M1097 VanDerWaalsContact C-N 3.3Å; H1095-M1097 PolarHBondContact O-N 3.15Å; H1095-M1098 WeakPolarHBondContact O-CB 3Å; H1095-M1098 PolarHBondContact O-N 3.35Å; H1095-M1099 WeakPolarHBondContact O-CG 3.34Å; H1095-M1099 PolarHBondContact O-N 3.37Å
1096	K	95.7	Very high	93.4	Very high	128 Å²	128	58.8 Å²	58.8	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-58.6	-43.4	172.6	-176.8	-177.6	178.9	-174.7	0	111.4	K1092 I1094 M1099 E1100	K1092-K1096 VanDerWaalsContact O-CB 3.32Å; K1092-K1096 WeakPolarHBondContact O-CB 3.43Å; K1092-K1096 PolarHBondContact O-N 3.12Å; I1094-K1096 VanDerWaalsContact C-N 3.28Å; I1094-K1096 PolarHBondContact O-N 3.15Å; K1096-M1099 PolarHBondContact O-N 2.82Å; K1096-E1100 WeakPolarHBondContact CE-OE1 3.3Å; K1096-E1100 WeakPolarHBondContact CG-OE1 3.41Å; K1096-E1100 WeakPolarHBondContact O-CG 3.19Å; K1096-E1100 PolarHBondContact O-N 3.45Å
1097	M	96.7	Very high	93.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.7	-160.3	-177.8	-62.8	0	0	112.2	L1040 E1093 I1094 H1095 M1099 E1100 C1101 L1115 R1118 V1119	L1040-M1097 HydrophobicContact CD1-CG 4.48Å; L1040-M1097 HydrophobicContact CD1-SD 4.39Å; E1093-M1097 PolarHBondContact O-N 3.32Å; I1094-M1097 HydrophobicContact CD1-CE 4.28Å; I1094-M1097 WeakPolarHBondContact O-CA 3.01Å; I1094-M1097 WeakPolarHBondContact O-CB 3.48Å; I1094-M1097 PolarHBondContact O-N 3.22Å; I1094-M1097 VanDerWaalsContact O-N 3.07Å; H1095-M1097 VanDerWaalsContact C-N 3.3Å; H1095-M1097 PolarHBondContact O-N 3.15Å; M1097-M1099 VanDerWaalsContact C-N 3.34Å; M1097-M1099 PolarHBondContact O-N 2.83Å; M1097-E1100 PolarHBondContact O-N 3.09Å; M1097-C1101 PolarHBondContact O-N 3Å; M1097-C1101 PolarHBondContact O-SG 2.92Å; M1097-C1101 VanDerWaalsContact O-SG 3.37Å; M1097-L1115 HydrophobicContact CG-CD2 3.43Å; M1097-L1115 VanDerWaalsContact CG-CD2 3.43Å; M1097-L1115 HydrophobicContact SD-CD2 3.45Å; M1097-L1115 WeakPolarHBondContact SD-CD2 3.2Å; M1097-R1118 HydrophobicContact CE-CB 3.46Å; M1097-R1118 VanDerWaalsContact CE-CB 3.46Å; M1097-V1119 HydrophobicContact CE-CG2 3.95Å; M1097-V1119 HydrophobicContact SD-CG2 3.67Å
1098	M	97.7	Very high	93.6	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56.5	-47.9	173.1	-65.8	167.3	-174.2	0	0	111	L1040 F1044 P1087 I1094 H1095 E1100 C1101 W1102	L1040-M1098 VanDerWaalsContact C-CE 3.48Å; L1040-M1098 HydrophobicContact CB-CE 3.78Å; L1040-M1098 HydrophobicContact CB-CG 3.77Å; L1040-M1098 HydrophobicContact CD1-CG 4.06Å; L1040-M1098 WeakPolarHBondContact O-CE 3.5Å; F1044-M1098 HydrophobicContact CB-CE 4.25Å; F1044-M1098 HydrophobicContact CD2-CE 4.03Å; F1044-M1098 HydrophobicContact CG-CE 4.36Å; P1087-M1098 HydrophobicContact CG-CE 4.1Å; P1087-M1098 HydrophobicContact CG-SD 4.47Å; I1094-M1098 HydrophobicContact CG2-CE 3.8Å; I1094-M1098 WeakPolarHBondContact O-CG 3.38Å; I1094-M1098 PolarHBondContact O-N 3.3Å; H1095-M1098 WeakPolarHBondContact O-CB 3Å; H1095-M1098 PolarHBondContact O-N 3.35Å; M1098-E1100 VanDerWaalsContact C-N 3.33Å; M1098-E1100 PolarHBondContact O-N 2.87Å; M1098-C1101 WeakPolarHBondContact O-CB 3.35Å; M1098-C1101 PolarHBondContact O-N 3.33Å; M1098-W1102 HydrophobicContact CB-CE3 4.18Å; M1098-W1102 HydrophobicContact CB-CH2 3.86Å; M1098-W1102 HydrophobicContact CB-CZ2 4.27Å; M1098-W1102 HydrophobicContact CB-CZ3 3.82Å; M1098-W1102 HydrophobicContact CG-CH2 4.36Å; M1098-W1102 VanDerWaalsContact O-CD2 3.23Å; M1098-W1102 VanDerWaalsContact O-CG 3.29Å; M1098-W1102 PolarHBondContact O-N 3.3Å; M1098-W1102 HydrophobicContact SD-CH2 4.36Å
1099	M	97.6	Very high	94.2	Very high	80 Å²	80	62.5 Å²	62.5	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-37.5	-179.9	-69.6	-59.2	-63.2	0	0	113	R1083 H1095 K1096 M1097 W1102 S1103	R1083-M1099 HydrophobicContact CB-CE 4.38Å; R1083-M1099 HydrophobicContact CB-SD 4.1Å; R1083-M1099 HydrophobicContact CG-CE 3.98Å; R1083-M1099 HydrophobicContact CG-SD 4.19Å; H1095-M1099 WeakPolarHBondContact O-CG 3.34Å; H1095-M1099 PolarHBondContact O-N 3.37Å; K1096-M1099 PolarHBondContact O-N 2.82Å; M1097-M1099 VanDerWaalsContact C-N 3.34Å; M1097-M1099 PolarHBondContact O-N 2.83Å; M1099-W1102 CarbonylContact O-C 3.56Å; M1099-W1102 PolarHBondContact O-N 3.06Å; M1099-W1102 HydrophobicContact SD-CE3 3.95Å; M1099-W1102 HydrophobicContact SD-CZ3 4.23Å; M1099-S1103 PolarHBondContact O-N 3.18Å
1100	E	97.3	Very high	94.9	Very high	57 Å²	57	56.6 Å²	56.6	27%	0.266	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-38.8	175.6	-70.1	169.1	-169.2	0	0	112.3	K1096 M1097 M1098 W1102 S1103 R1118	K1096-E1100 WeakPolarHBondContact CE-OE1 3.3Å; K1096-E1100 WeakPolarHBondContact CG-OE1 3.41Å; K1096-E1100 WeakPolarHBondContact O-CG 3.19Å; K1096-E1100 PolarHBondContact O-N 3.45Å; M1097-E1100 PolarHBondContact O-N 3.09Å; M1098-E1100 VanDerWaalsContact C-N 3.33Å; M1098-E1100 PolarHBondContact O-N 2.87Å; E1100-W1102 PolarHBondContact O-N 3.16Å; E1100-S1103 WeakPolarHBondContact O-CB 3.38Å; E1100-S1103 PolarHBondContact O-N 3.25Å; E1100-R1118 IonicContact OE1-NH2 3.27Å; E1100-R1118 IonicContact OE2-CZ 2.66Å; E1100-R1118 IonicContact OE2-NH1 3.76Å; E1100-R1118 PolarHBondContact OE2-NH1 2.84Å; E1100-R1118 IonicContact OE2-NH2 3.72Å; E1100-R1118 PolarHBondContact OE2-NH2 3.03Å
1101	C	98.3	Very high	95.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-34	169	-73.9	0	0	0	0	111.6	V1033 M1097 M1098 S1103 R1109	V1033-C1101 HydrophobicContact CG1-CB 4.17Å; V1033-C1101 WeakPolarHBondContact O-CB 3.4Å; M1097-C1101 PolarHBondContact O-N 3Å; M1097-C1101 PolarHBondContact O-SG 2.92Å; M1097-C1101 VanDerWaalsContact O-SG 3.37Å; M1098-C1101 WeakPolarHBondContact O-CB 3.35Å; M1098-C1101 PolarHBondContact O-N 3.33Å; C1101-S1103 VanDerWaalsContact C-N 3.33Å; C1101-S1103 PolarHBondContact O-N 3.26Å; C1101-R1109 VanDerWaalsContact O-CD 3.3Å; C1101-R1109 WeakPolarHBondContact O-CD 3.49Å
1102	W	97.9	Very high	95.7	Very high	6 Å²	6	59.2 Å²	59.2	2%	0.023	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	24.9	178.3	-55.1	-37.4	0	0	0	115.1	W1034 G1037 V1038 R1083 L1084 M1098 M1099 E1100 S1104	W1034-W1102 HydrophobicContact CD2-CB 4.45Å; W1034-W1102 AromaticContact CD2-CD1 3.72Å; W1034-W1102 HydrophobicContact CD2-CG 4.45Å; W1034-W1102 AromaticContact CE2-CD1 3.74Å; W1034-W1102 VanDerWaalsContact CE3-CA 3.45Å; W1034-W1102 HydrophobicContact CE3-CB 4.1Å; W1034-W1102 AromaticContact CG-CD1 3.99Å; W1034-W1102 HydrophobicContact CH2-CB 4Å; W1034-W1102 HydrophobicContact CZ2-CB 4.36Å; W1034-W1102 HydrophobicContact CZ2-CG 4.45Å; W1034-W1102 VanDerWaalsContact CZ3-CA 3.47Å; W1034-W1102 HydrophobicContact CZ3-CB 3.87Å; W1034-W1102 WeakPolarHBondContact CZ3-O 3.4Å; W1034-W1102 PolarHBondContact O-NE1 2.88Å; G1037-W1102 VanDerWaalsContact C-CZ2 3.45Å; G1037-W1102 WeakPolarHBondContact O-CZ2 3.44Å; V1038-W1102 HydrophobicContact CG2-CZ2 4.35Å; R1083-W1102 HydrophobicContact CB-CE3 3.92Å; R1083-W1102 HydrophobicContact CB-CZ3 4.25Å; R1083-W1102 HydrophobicContact CG-CB 4.46Å; R1083-W1102 HydrophobicContact CG-CE3 4.22Å; R1083-W1102 PolarHBondContact NE-O 2.82Å; R1083-W1102 PolarHBondContact NH2-O 2.87Å; L1084-W1102 HydrophobicContact CB-CH2 3.74Å; L1084-W1102 HydrophobicContact CB-CZ2 4.38Å; L1084-W1102 HydrophobicContact CB-CZ3 4.19Å; L1084-W1102 HydrophobicContact CD1-CH2 4.19Å; L1084-W1102 HydrophobicContact CD1-CZ2 4.01Å; L1084-W1102 HydrophobicContact CG-CH2 4.47Å; M1098-W1102 HydrophobicContact CB-CE3 4.18Å; M1098-W1102 HydrophobicContact CB-CH2 3.86Å; M1098-W1102 HydrophobicContact CB-CZ2 4.27Å; M1098-W1102 HydrophobicContact CB-CZ3 3.82Å; M1098-W1102 HydrophobicContact CG-CH2 4.36Å; M1098-W1102 VanDerWaalsContact O-CD2 3.23Å; M1098-W1102 VanDerWaalsContact O-CG 3.29Å; M1098-W1102 PolarHBondContact O-N 3.3Å; M1098-W1102 HydrophobicContact SD-CH2 4.36Å; M1099-W1102 CarbonylContact O-C 3.56Å; M1099-W1102 PolarHBondContact O-N 3.06Å; M1099-W1102 HydrophobicContact SD-CE3 3.95Å; M1099-W1102 HydrophobicContact SD-CZ3 4.23Å; E1100-W1102 PolarHBondContact O-N 3.16Å; W1102-S1104 PolarHBondContact O-N 3.42Å
1103	S	96.9	Very high	95.8	Very high	25 Å²	25	56.5 Å²	56.5	18%	0.175	29%	0.285	C	S	.	.			trans	-59	135	168.7	172	0	0	0	0	111	M1099 E1100 C1101 D1105 R1109	M1099-S1103 PolarHBondContact O-N 3.18Å; E1100-S1103 WeakPolarHBondContact O-CB 3.38Å; E1100-S1103 PolarHBondContact O-N 3.25Å; C1101-S1103 VanDerWaalsContact C-N 3.33Å; C1101-S1103 PolarHBondContact O-N 3.26Å; S1103-D1105 VanDerWaalsContact C-N 3.28Å; S1103-D1105 PolarHBondContact O-N 2.81Å; S1103-D1105 PolarHBondContact OG-N 3.49Å; S1103-D1105 PolarHBondContact OG-O 3.11Å; S1103-R1109 PolarHBondContact O-NE 3.35Å; S1103-R1109 PolarHBondContact O-NH2 3.01Å; S1103-R1109 VanDerWaalsContact O-NH2 3.09Å
1104	S	92.9	Very high	95.9	Very high	72 Å²	72	53.1 Å²	53.1	50%	0.503	27%	0.274	S	S	.	.	S	Bend	trans	-66	-31	174.6	-59.5	0	0	0	0	112.2	R1083 W1102 P1106	R1083-S1104 PolarHBondContact NH2-OG 2.87Å; R1083-S1104 VanDerWaalsContact NH2-OG 3.09Å; W1102-S1104 PolarHBondContact O-N 3.42Å; S1104-P1106 WeakPolarHBondContact O-CD 3.19Å
1105	D	94.1	Very high	96	Very high	70 Å²	70	53.1 Å²	53.1	37%	0.374	27%	0.274	S	S	.	.	S	Bend	trans	-86.5	117.3	170.8	-176.2	-10	0	0	0	109.6	S1103 K1107 L1108	S1103-D1105 VanDerWaalsContact C-N 3.28Å; S1103-D1105 PolarHBondContact O-N 2.81Å; S1103-D1105 PolarHBondContact OG-N 3.49Å; S1103-D1105 PolarHBondContact OG-O 3.11Å; D1105-K1107 PolarHBondContact O-N 2.83Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.37Å; D1105-K1107 PolarHBondContact OD1-N 3.43Å; D1105-L1108 HydrophobicContact CB-CB 4.41Å; D1105-L1108 HydrophobicContact CB-CD1 3.95Å; D1105-L1108 HydrophobicContact CB-CG 3.99Å; D1105-L1108 PolarHBondContact O-N 2.74Å
1106	P	94.2	Very high	95.8	Very high	41 Å²	41	51.8 Å²	51.8	27%	0.266	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-58.6	-29.7	178	-23	33.9	0	0	0	113.8	E1020 A1030 S1104 L1108 R1109	E1020-P1106 HydrophobicContact CG-CG 4.27Å; A1030-P1106 HydrophobicContact CB-CB 3.96Å; S1104-P1106 WeakPolarHBondContact O-CD 3.19Å; P1106-L1108 VanDerWaalsContact C-N 3.27Å; P1106-L1108 PolarHBondContact O-N 3.39Å; P1106-R1109 WeakPolarHBondContact O-CB 3.46Å; P1106-R1109 PolarHBondContact O-N 2.68Å
1107	K	94	Very high	95.4	Very high	180 Å²	180	51.6 Å²	51.6	78%	0.783	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-72.2	-22	-178.2	-64.6	-178.1	178.8	-178.4	0	113.2	D1105	D1105-K1107 PolarHBondContact O-N 2.83Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.37Å; D1105-K1107 PolarHBondContact OD1-N 3.43Å
1108	L	96.2	Very high	95.2	Very high	124 Å²	124	55 Å²	55	65%	0.649	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-87.4	-8.5	177.6	-61.5	-179.3	0	0	0	112.6	D1105 P1106	D1105-L1108 HydrophobicContact CB-CB 4.41Å; D1105-L1108 HydrophobicContact CB-CD1 3.95Å; D1105-L1108 HydrophobicContact CB-CG 3.99Å; D1105-L1108 PolarHBondContact O-N 2.74Å; P1106-L1108 VanDerWaalsContact C-N 3.27Å; P1106-L1108 PolarHBondContact O-N 3.39Å
1109	R	97.8	Very high	94.8	Very high	15 Å²	15	55 Å²	55	6%	0.057	28%	0.283	C	S	.	.	S	Bend	trans	-72.6	139.6	177.5	-61.8	179.2	-165.4	148.1	9.8	109.7	E1020 A1030 V1033 C1101 S1103 P1106	E1020-R1109 IonicContact OE1-CZ 3.42Å; E1020-R1109 IonicContact OE1-NH1 3.99Å; E1020-R1109 PolarHBondContact OE1-NH1 2.87Å; E1020-R1109 IonicContact OE1-NH2 3.36Å; E1020-R1109 PolarHBondContact OE1-NH2 2.83Å; E1020-R1109 IonicContact OE2-CZ 2.68Å; E1020-R1109 IonicContact OE2-NH1 3.94Å; E1020-R1109 IonicContact OE2-NH2 3.14Å; E1020-R1109 PolarHBondContact OE2-NH2 3.37Å; A1030-R1109 VanDerWaalsContact O-CD 3.25Å; A1030-R1109 WeakPolarHBondContact O-CD 2.94Å; A1030-R1109 PolarHBondContact O-NH1 2.89Å; V1033-R1109 HydrophobicContact CG1-CB 3.98Å; C1101-R1109 VanDerWaalsContact O-CD 3.3Å; C1101-R1109 WeakPolarHBondContact O-CD 3.49Å; S1103-R1109 PolarHBondContact O-NE 3.35Å; S1103-R1109 PolarHBondContact O-NH2 3.01Å; S1103-R1109 VanDerWaalsContact O-NH2 3.09Å; P1106-R1109 WeakPolarHBondContact O-CB 3.46Å; P1106-R1109 PolarHBondContact O-N 2.68Å
1110	P	97.4	Very high	94.1	Very high	20 Å²	20	52.2 Å²	52.2	13%	0.13	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.9	149.5	178.3	28.9	-35.5	0	0	0	111.4	V1033 L1115	V1033-P1110 HydrophobicContact CG1-CG 4.33Å; V1033-P1110 WeakPolarHBondContact CG1-O 3.4Å; V1033-P1110 WeakPolarHBondContact CG2-O 3.41Å; P1110-L1115 HydrophobicContact CB-CD2 4.12Å; P1110-L1115 HydrophobicContact CB-CG 4.08Å; P1110-L1115 HydrophobicContact CG-CD1 4.23Å; P1110-L1115 HydrophobicContact CG-CD2 3.62Å; P1110-L1115 HydrophobicContact CG-CG 3.91Å
1111	T	96.6	Very high	93.5	Very high	86 Å²	86	53.5 Å²	53.5	53%	0.528	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-74.4	157.1	172	62.2	0	0	0	0	110.9	K1113 A1114 L1115	T1111-K1113 VanDerWaalsContact C-N 3.3Å; T1111-K1113 PolarHBondContact O-N 2.84Å; T1111-A1114 WeakPolarHBondContact O-CB 3.24Å; T1111-A1114 PolarHBondContact O-N 2.89Å; T1111-A1114 WeakPolarHBondContact OG1-CB 3.31Å; T1111-A1114 PolarHBondContact OG1-N 3.15Å; T1111-L1115 WeakPolarHBondContact O-CG 3.38Å; T1111-L1115 PolarHBondContact O-N 3.22Å
1112	F	97.3	Very high	92.9	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-42.9	174.2	-78.4	-66.7	0	0	0	112.1	C957 M960 D961 L973 V1029 D1032 V1033 F1036 A1114 L1115 I1116	C957-F1112 HydrophobicContact CB-CD1 4.26Å; M960-F1112 HydrophobicContact CB-CD1 3.68Å; M960-F1112 HydrophobicContact CB-CD2 3.72Å; M960-F1112 HydrophobicContact CB-CE1 3.55Å; M960-F1112 HydrophobicContact CB-CE2 3.61Å; M960-F1112 HydrophobicContact CB-CG 3.77Å; M960-F1112 HydrophobicContact CB-CZ 3.52Å; M960-F1112 HydrophobicContact CE-CE2 3.99Å; M960-F1112 HydrophobicContact CE-CZ 4.03Å; M960-F1112 HydrophobicContact CG-CE1 3.97Å; M960-F1112 HydrophobicContact CG-CE2 4.32Å; M960-F1112 HydrophobicContact CG-CZ 3.86Å; D961-F1112 HydrophobicContact CB-CB 3.84Å; L973-F1112 HydrophobicContact CD2-CZ 4.34Å; V1029-F1112 HydrophobicContact CG1-CD2 4.11Å; V1029-F1112 HydrophobicContact CG1-CE2 4.3Å; D1032-F1112 HydrophobicContact CB-CE2 4.07Å; D1032-F1112 HydrophobicContact CB-CZ 4.21Å; V1033-F1112 HydrophobicContact CG2-CD2 4.02Å; V1033-F1112 HydrophobicContact CG2-CE1 4.47Å; V1033-F1112 HydrophobicContact CG2-CE2 3.74Å; V1033-F1112 HydrophobicContact CG2-CG 4.49Å; V1033-F1112 HydrophobicContact CG2-CZ 4Å; F1036-F1112 HydrophobicContact CB-CE1 3.75Å; F1036-F1112 HydrophobicContact CB-CZ 4.09Å; F1036-F1112 HydrophobicContact CD1-CE1 4.37Å; F1036-F1112 HydrophobicContact CD2-CE1 4.26Å; F1036-F1112 AromaticContact CG-CE1 3.86Å; F1036-F1112 HydrophobicContact CG-CE1 3.86Å; F1112-A1114 VanDerWaalsContact C-N 3.3Å; F1112-A1114 PolarHBondContact O-N 3.45Å; F1112-L1115 HydrophobicContact CD1-CD1 4.08Å; F1112-L1115 HydrophobicContact CE1-CD1 4.42Å; F1112-L1115 WeakPolarHBondContact O-CB 3.3Å; F1112-L1115 PolarHBondContact O-N 3.21Å; F1112-I1116 WeakPolarHBondContact O-CG1 3.33Å; F1112-I1116 PolarHBondContact O-N 3.25Å
1113	K	92.3	Very high	92	Very high	120 Å²	120	54.4 Å²	54.4	52%	0.522	29%	0.286	S	S	.	.	H	α-helix	trans	-50.9	-44.7	170.4	-168.9	171.3	-176.7	174.9	0	114.1	D961 T1111 Q1117	D961-K1113 WeakPolarHBondContact OD1-CB 3.49Å; D961-K1113 PolarHBondContact OD1-N 2.87Å; T1111-K1113 VanDerWaalsContact C-N 3.3Å; T1111-K1113 PolarHBondContact O-N 2.84Å; K1113-Q1117 PolarHBondContact O-N 3.44Å
1114	A	94.2	Very high	90.8	Very high	31 Å²	31	57.3 Å²	57.3	26%	0.256	30%	0.296	S	S	.	.	H	α-helix	trans	-70.3	-37.4	177.1	0	0	0	0	0	112.1	T1111 F1112 Q1117 R1118	T1111-A1114 WeakPolarHBondContact O-CB 3.24Å; T1111-A1114 PolarHBondContact O-N 2.89Å; T1111-A1114 WeakPolarHBondContact OG1-CB 3.31Å; T1111-A1114 PolarHBondContact OG1-N 3.15Å; F1112-A1114 VanDerWaalsContact C-N 3.3Å; F1112-A1114 PolarHBondContact O-N 3.45Å; A1114-Q1117 PolarHBondContact O-N 2.82Å; A1114-R1118 VanDerWaalsContact O-CG 3.29Å; A1114-R1118 WeakPolarHBondContact O-CG 3.24Å; A1114-R1118 PolarHBondContact O-N 3.45Å; A1114-R1118 VanDerWaalsContact O-N 3.14Å
1115	L	96.1	Very high	89.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-41	175.6	-70.6	168.1	0	0	0	111.9	V1033 F1036 M1097 P1110 T1111 F1112 Q1117 R1118 V1119	V1033-L1115 HydrophobicContact CG1-CD1 4.13Å; F1036-L1115 HydrophobicContact CD1-CD1 3.76Å; F1036-L1115 HydrophobicContact CE1-CD1 4Å; F1036-L1115 HydrophobicContact CE1-CD2 4.43Å; M1097-L1115 HydrophobicContact CG-CD2 3.43Å; M1097-L1115 VanDerWaalsContact CG-CD2 3.43Å; M1097-L1115 HydrophobicContact SD-CD2 3.45Å; M1097-L1115 WeakPolarHBondContact SD-CD2 3.2Å; P1110-L1115 HydrophobicContact CB-CD2 4.12Å; P1110-L1115 HydrophobicContact CB-CG 4.08Å; P1110-L1115 HydrophobicContact CG-CD1 4.23Å; P1110-L1115 HydrophobicContact CG-CD2 3.62Å; P1110-L1115 HydrophobicContact CG-CG 3.91Å; T1111-L1115 WeakPolarHBondContact O-CG 3.38Å; T1111-L1115 PolarHBondContact O-N 3.22Å; F1112-L1115 HydrophobicContact CD1-CD1 4.08Å; F1112-L1115 HydrophobicContact CE1-CD1 4.42Å; F1112-L1115 WeakPolarHBondContact O-CB 3.3Å; F1112-L1115 PolarHBondContact O-N 3.21Å; L1115-Q1117 PolarHBondContact O-N 3.19Å; L1115-R1118 PolarHBondContact O-N 2.82Å; L1115-V1119 WeakPolarHBondContact O-CB 3.23Å; L1115-V1119 VanDerWaalsContact O-CG2 3.3Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; L1115-V1119 PolarHBondContact O-N 3.23Å
1116	I	91.6	Very high	88.1	Confident	28 Å²	28	58.8 Å²	58.8	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-54	-55.4	174.8	-65.3	164.8	0	0	0	109.6	C957 K958 D961 F1112 R1118 V1119 E1120	C957-I1116 HydrophobicContact CB-CD1 4.36Å; C957-I1116 HydrophobicContact CB-CG1 3.45Å; C957-I1116 VanDerWaalsContact CB-CG1 3.45Å; K958-I1116 HydrophobicContact CB-CD1 4.42Å; K958-I1116 HydrophobicContact CG-CD1 3.83Å; K958-I1116 HydrophobicContact CG-CG1 4.12Å; K958-I1116 HydrophobicContact CG-CG2 4.35Å; D961-I1116 HydrophobicContact CB-CD1 3.91Å; F1112-I1116 WeakPolarHBondContact O-CG1 3.33Å; F1112-I1116 PolarHBondContact O-N 3.25Å; I1116-R1118 VanDerWaalsContact C-N 3.27Å; I1116-R1118 PolarHBondContact O-N 2.76Å; I1116-V1119 PolarHBondContact O-N 2.96Å; I1116-E1120 HydrophobicContact CG2-CG 4.25Å; I1116-E1120 WeakPolarHBondContact O-CB 3.37Å; I1116-E1120 WeakPolarHBondContact O-CG 3.37Å; I1116-E1120 PolarHBondContact O-N 3.07Å
1117	Q	87.1	Confident	85.6	Confident	125 Å²	125	62.1 Å²	62.1	58%	0.584	32%	0.316	S	S	*	.	H	α-helix	trans	-58	-40.8	-178	-68.5	178	-20.1	0	0	112.1	K1113 A1114 L1115 T1121	K1113-Q1117 PolarHBondContact O-N 3.44Å; A1114-Q1117 PolarHBondContact O-N 2.82Å; L1115-Q1117 PolarHBondContact O-N 3.19Å; Q1117-T1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-T1121 PolarHBondContact O-N 3.33Å; Q1117-T1121 PolarHBondContact O-OG1 3.23Å
1118	R	91.8	Very high	82.7	Confident	72 Å²	72	59.5 Å²	59.5	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-73.5	-41.8	-178.1	-68.1	171	62.2	-176	2.7	113	M1097 E1100 A1114 L1115 I1116 E1120 T1121 V1122	M1097-R1118 HydrophobicContact CE-CB 3.46Å; M1097-R1118 VanDerWaalsContact CE-CB 3.46Å; E1100-R1118 IonicContact OE1-NH2 3.27Å; E1100-R1118 IonicContact OE2-CZ 2.66Å; E1100-R1118 IonicContact OE2-NH1 3.76Å; E1100-R1118 PolarHBondContact OE2-NH1 2.84Å; E1100-R1118 IonicContact OE2-NH2 3.72Å; E1100-R1118 PolarHBondContact OE2-NH2 3.03Å; A1114-R1118 VanDerWaalsContact O-CG 3.29Å; A1114-R1118 WeakPolarHBondContact O-CG 3.24Å; A1114-R1118 PolarHBondContact O-N 3.45Å; A1114-R1118 VanDerWaalsContact O-N 3.14Å; L1115-R1118 PolarHBondContact O-N 2.82Å; I1116-R1118 VanDerWaalsContact C-N 3.27Å; I1116-R1118 PolarHBondContact O-N 2.76Å; R1118-E1120 VanDerWaalsContact C-N 3.32Å; R1118-T1121 PolarHBondContact O-N 3.01Å; R1118-V1122 WeakPolarHBondContact O-CG2 3.29Å; R1118-V1122 PolarHBondContact O-N 2.6Å
1119	V	89.3	Confident	82	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-43.4	175.6	172.5	0	0	0	0	109.9	L950 A953 M1097 L1115 I1116 V1122 R1123	L950-V1119 HydrophobicContact CB-CG1 4.33Å; L950-V1119 HydrophobicContact CD2-CG1 4.17Å; L950-V1119 VanDerWaalsContact O-CG1 3.23Å; L950-V1119 WeakPolarHBondContact O-CG1 3.34Å; A953-V1119 HydrophobicContact CB-CG1 4.15Å; M1097-V1119 HydrophobicContact CE-CG2 3.95Å; M1097-V1119 HydrophobicContact SD-CG2 3.67Å; L1115-V1119 WeakPolarHBondContact O-CB 3.23Å; L1115-V1119 VanDerWaalsContact O-CG2 3.3Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; L1115-V1119 PolarHBondContact O-N 3.23Å; I1116-V1119 PolarHBondContact O-N 2.96Å; V1119-V1122 PolarHBondContact O-N 3.49Å; V1119-R1123 WeakPolarHBondContact O-CB 3.44Å; V1119-R1123 PolarHBondContact O-N 3.33Å
1120	E	83.3	Confident	81.2	Confident	21 Å²	21	58.5 Å²	58.5	10%	0.098	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-43.5	174.7	-66.1	-71.1	148.5	0	0	111.4	S954 K958 I1116 R1118 V1122 R1123 E1124	S954-E1120 WeakPolarHBondContact CB-OE1 3.4Å; S954-E1120 PolarHBondContact OG-OE1 3.21Å; K958-E1120 IonicContact NZ-OE1 2.73Å; I1116-E1120 HydrophobicContact CG2-CG 4.25Å; I1116-E1120 WeakPolarHBondContact O-CB 3.37Å; I1116-E1120 WeakPolarHBondContact O-CG 3.37Å; I1116-E1120 PolarHBondContact O-N 3.07Å; R1118-E1120 VanDerWaalsContact C-N 3.32Å; E1120-V1122 PolarHBondContact O-N 3.01Å; E1120-R1123 VanDerWaalsContact CD-NH1 3.26Å; E1120-R1123 WeakPolarHBondContact O-CB 3.38Å; E1120-R1123 PolarHBondContact O-N 3.29Å; E1120-R1123 VanDerWaalsContact O-N 3.16Å; E1120-R1123 IonicContact OE1-CZ 2.8Å; E1120-R1123 IonicContact OE1-NH1 3.42Å; E1120-R1123 PolarHBondContact OE1-NH1 2.84Å; E1120-R1123 IonicContact OE1-NH2 3.92Å; E1120-R1123 PolarHBondContact OE1-NH2 2.83Å; E1120-R1123 IonicContact OE2-CZ 2.66Å; E1120-R1123 IonicContact OE2-NH1 3.79Å; E1120-R1123 PolarHBondContact OE2-NH1 3.45Å; E1120-R1123 IonicContact OE2-NH2 2.85Å; E1120-R1123 PolarHBondContact OE2-NH2 3.43Å; E1120-E1124 WeakPolarHBondContact O-CB 3.49Å; E1120-E1124 WeakPolarHBondContact O-CG 3.34Å; E1120-E1124 PolarHBondContact O-N 3.27Å
1121	T	85.4	Confident	80.3	Confident	84 Å²	84	60.6 Å²	60.6	52%	0.515	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-44.8	176.6	-56.7	0	0	0	0	112	Q1117 R1118 R1123 E1124 S1125	Q1117-T1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-T1121 PolarHBondContact O-N 3.33Å; Q1117-T1121 PolarHBondContact O-OG1 3.23Å; R1118-T1121 PolarHBondContact O-N 3.01Å; T1121-R1123 VanDerWaalsContact C-N 3.29Å; T1121-R1123 PolarHBondContact O-N 3.49Å; T1121-E1124 PolarHBondContact O-N 3.22Å; T1121-S1125 WeakPolarHBondContact O-CB 3.32Å; T1121-S1125 PolarHBondContact O-N 2.59Å; T1121-S1125 PolarHBondContact O-OG 3.18Å
1122	V	84.6	Confident	79.3	Confident	13 Å²	13	59.1 Å²	59.1	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-38.1	177.1	174.4	0	0	0	0	110.6	L950 E1093 I1094 R1118 V1119 E1120 S1125	L950-V1122 HydrophobicContact CD1-CG1 4.07Å; L950-V1122 HydrophobicContact CD2-CG1 4.42Å; E1093-V1122 HydrophobicContact CB-CG1 4.48Å; E1093-V1122 HydrophobicContact CB-CG2 3.72Å; E1093-V1122 HydrophobicContact CG-CG2 4.3Å; I1094-V1122 HydrophobicContact CD1-CB 4.36Å; I1094-V1122 HydrophobicContact CD1-CG1 4.05Å; I1094-V1122 HydrophobicContact CD1-CG2 4.38Å; I1094-V1122 HydrophobicContact CG1-CG1 4.23Å; R1118-V1122 WeakPolarHBondContact O-CG2 3.29Å; R1118-V1122 PolarHBondContact O-N 2.6Å; V1119-V1122 PolarHBondContact O-N 3.49Å; E1120-V1122 PolarHBondContact O-N 3.01Å; V1122-S1125 PolarHBondContact O-OG 2.9Å
1123	R	80.1	Confident	78.2	Confident	13 Å²	13	62.6 Å²	62.6	5%	0.049	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-50.9	175.8	-159.1	172.7	78.8	-135.2	-2	110.9	T517 M947 L950 V1119 E1120 T1121 S1125 K1126	T517-R1123 PolarHBondContact OG1-NH2 3.31Å; M947-R1123 HydrophobicContact CE-CB 4.44Å; M947-R1123 HydrophobicContact CE-CG 3.36Å; M947-R1123 WeakPolarHBondContact CE-O 3.47Å; M947-R1123 HydrophobicContact SD-CG 3.91Å; L950-R1123 HydrophobicContact CB-CB 4.36Å; L950-R1123 HydrophobicContact CB-CG 4.2Å; L950-R1123 HydrophobicContact CD1-CB 4.29Å; L950-R1123 HydrophobicContact CD1-CG 4.42Å; V1119-R1123 WeakPolarHBondContact O-CB 3.44Å; V1119-R1123 PolarHBondContact O-N 3.33Å; E1120-R1123 VanDerWaalsContact CD-NH1 3.26Å; E1120-R1123 WeakPolarHBondContact O-CB 3.38Å; E1120-R1123 PolarHBondContact O-N 3.29Å; E1120-R1123 VanDerWaalsContact O-N 3.16Å; E1120-R1123 IonicContact OE1-CZ 2.8Å; E1120-R1123 IonicContact OE1-NH1 3.42Å; E1120-R1123 PolarHBondContact OE1-NH1 2.84Å; E1120-R1123 IonicContact OE1-NH2 3.92Å; E1120-R1123 PolarHBondContact OE1-NH2 2.83Å; E1120-R1123 IonicContact OE2-CZ 2.66Å; E1120-R1123 IonicContact OE2-NH1 3.79Å; E1120-R1123 PolarHBondContact OE2-NH1 3.45Å; E1120-R1123 IonicContact OE2-NH2 2.85Å; E1120-R1123 PolarHBondContact OE2-NH2 3.43Å; T1121-R1123 VanDerWaalsContact C-N 3.29Å; T1121-R1123 PolarHBondContact O-N 3.49Å; R1123-S1125 VanDerWaalsContact C-N 3.29Å; R1123-S1125 PolarHBondContact O-N 3.28Å; R1123-K1126 PolarHBondContact O-N 3.13Å; R1123-K1126 VanDerWaalsContact O-N 3.1Å
1124	E	70.4	Confident	77.3	Confident	85 Å²	85	58.8 Å²	58.8	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-38.8	177.1	-72.1	178.2	179.8	0	0	112.2	K146 E1120 T1121 K1126 D1127	K146-E1124 IonicContact NZ-OE1 2.58Å; K146-E1124 PolarHBondContact NZ-OE1 2.64Å; K146-E1124 IonicContact NZ-OE2 3.08Å; K146-E1124 PolarHBondContact NZ-OE2 3.14Å; E1120-E1124 WeakPolarHBondContact O-CB 3.49Å; E1120-E1124 WeakPolarHBondContact O-CG 3.34Å; E1120-E1124 PolarHBondContact O-N 3.27Å; T1121-E1124 PolarHBondContact O-N 3.22Å; E1124-K1126 PolarHBondContact O-N 2.84Å; E1124-D1127 PolarHBondContact O-N 2.72Å
1125	S	71.9	Confident	76.1	Confident	81 Å²	81	60.8 Å²	60.8	57%	0.566	36%	0.356	S	S	*	.	H	α-helix	trans	-67.9	-13.7	179.5	70.4	0	0	0	0	115.2	T1121 V1122 R1123	T1121-S1125 WeakPolarHBondContact O-CB 3.32Å; T1121-S1125 PolarHBondContact O-N 2.59Å; T1121-S1125 PolarHBondContact O-OG 3.18Å; V1122-S1125 PolarHBondContact O-OG 2.9Å; R1123-S1125 VanDerWaalsContact C-N 3.29Å; R1123-S1125 PolarHBondContact O-N 3.28Å
1126	K	59.1	Low	74.5	Confident	93 Å²	93	65.5 Å²	65.5	40%	0.404	38%	0.384	S	S	.	.	H	α-helix	trans	-100.8	-10.9	177.6	-77	-169.4	169	-161.1	0	113.5	M947 R1123 E1124	M947-K1126 HydrophobicContact CE-CB 4.39Å; M947-K1126 HydrophobicContact SD-CB 3.63Å; M947-K1126 HydrophobicContact SD-CD 4.07Å; M947-K1126 HydrophobicContact SD-CG 4.48Å; R1123-K1126 PolarHBondContact O-N 3.13Å; R1123-K1126 VanDerWaalsContact O-N 3.1Å; E1124-K1126 PolarHBondContact O-N 2.84Å
1127	D	42	Very low	73.1	Confident	111 Å²	111	68.6 Å²	68.6	59%	0.594	40%	0.404	S	S	*	.	H	α-helix	trans	-87.7	-12.5	176.9	-82.7	-33.1	0	0	0	113.1	M947 E1124	M947-D1127 VanDerWaalsContact CE-CG 3.44Å; M947-D1127 WeakPolarHBondContact CE-OD1 3.1Å; M947-D1127 WeakPolarHBondContact CE-OD2 3.19Å; E1124-D1127 PolarHBondContact O-N 2.72Å
1128	G	32.5	Very low	71.9	Confident	125 Å²	125	63.5 Å²	63.5	100%	1.289	39%	0.388	S	S	*	.			trans	-96.7	0	171.2	0	0	0	0	0	111.9

Retrieved 1,128 of 1,128 residues in 244.9 ms (Link to these results)

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