A0A087XXD5_POEFO Loading...

Soluble scavenger receptor cysteine-rich domain-containing protein SSC5D

Binds to extracellular matrix proteins. Binds to pathogen-associated molecular patterns (PAMPs) present on the cell walls of Gram-positive and Gram-negative bacteria and fungi, behaving as a pattern recognition receptor (PRR). Induces bacterial and fungal aggregation and subsequent inhibition of PAMP-induced cytokine release. Does not possess intrinsic bactericidal activity. May play a role in the innate defense and homeostasis of certain epithelial surfaces.

AlphaFold DB , UniProt , Accession A0A087XXD5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 952 aa.

						>A0A087XXD5_POEFO|A0A087XXD5
MESQHFRFLLIAGLLSLPLLTECDKIRLVGPSRCAGRVEIYHNDVWGTVCDDHWSVANAEVVCRELNCGMVMEAKKSAFFGEGTNEIWLDDVQCNGKETSITKCEHKPFGINNCGHSEDAGVVCSEHIRILNGTSRCNGRVELFQDGQWKRVCSSDWGKEEADVVCREISCGAPVVQAATQYFGEGQGLHGVKANCVGNETSISNCVMQDFRETCIDATISCMNSKPIRLVNGTNRCSGRVEVYYEGQWGTVCDDKWGMQEAAVTCREMNCGNALAVKYKAFYGRGQDQVWLDDIDCTGHEKSLSDCPHRGFGEHDCDHHEDAGVVCSENVRLINGTDSCSGRVEVFHNGRWGKICSNSWGGTEATVLCKELNCGTPKKNQDVFTFGDSPLAGFISRCSGNVSSITQCVVDESVGRCEGVSIACAGNPPIRVVNGTDRCSGRVEVLHDGQWGTVCDDEWDIRDAQVVCRALDCGTAQTAKTSAFFGQGQGDIWLDDVNCIGNESSLLHCRRPPFGENNCGHGEDAGVICSANLRLINGTDTCSGRVEVYNGGRWSSVYNINFGMNEAAVVCRDMNCGDAVKASGSFGDSGELRGLKMSCSGTERSVTQCTVREYTRSRNDGTEEASVQCSGNVKLSDGPHRCAGRVEFFDKGQWGTVCGESWDINDATVVCRQLNCDRAHKITKMTEYGLGSGQTWIDQIECSGRESTLSQCPQRPYRDRTCNTTAKAGVICTGSLEVRLAKGKDECSGRVEVRHGETWQTVCDAAWTESKAEVICQLLECGHTLNAPGAAHFGQGNGTVVEASDSCFGNLTSLQKCSVNGFSRSTCGHEHDAGAICADLFTCDSFHAAQLRLVGGSGQCSGRVEIFYKGQWGTVCDDDWQMSNADVVCRQIGCGHAVSAPTSAHFGRGSGPIWLDNVECTGQEVALTHCQHRGFGENNCGHGEDAGVICLG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	30.6	Very low	245 Å²	245	177.7 Å²	177.7	100%	1.207	85%	0.853	S	S	*	*				0	106.4	0	-66	178	-158.2	0	0	104.8	S3	M1-S3 PolarHBondContact O-N 3.2Å
2	E	33.2	Very low	30.5	Very low	202 Å²	202	171.3 Å²	171.3	94%	0.944	85%	0.851	S	S	*	*			trans	-51.8	103.4	-157.7	-67.3	161.2	138.3	0	0	112.6
3	S	27.7	Very low	30.2	Very low	117 Å²	117	164.1 Å²	164.1	82%	0.818	85%	0.847	S	S	*	*				71.5	97.2	74.7	-154.3	0	0	0	0	115.9	M1	M1-S3 PolarHBondContact O-N 3.2Å
4	Q	33.4	Very low	30.6	Very low	161 Å²	161	164.4 Å²	164.4	75%	0.752	85%	0.85	S	S	*	*			trans	-74.9	160.8	156.6	-77.8	-176.8	-26.4	0	0	112.2
5	H	31.2	Very low	30.6	Very low	161 Å²	161	165 Å²	165	75%	0.745	85%	0.854	S	S	*	*			trans	80.7	117.7	160.3	-63.2	-58.2	0	0	0	119.8
6	F	28.1	Very low	30.7	Very low	200 Å²	200	161.5 Å²	161.5	88%	0.877	85%	0.848	S	S	*	*				-165.8	150.3	109.3	-124.6	-99.3	0	0	0	113.7
7	R	29.7	Very low	30.6	Very low	219 Å²	219	161.5 Å²	161.5	83%	0.826	85%	0.848	S	S	*	*			trans	-63.4	152.8	-176.7	-63.3	170.9	168.6	-172	-4.8	114.5
8	F	27.1	Very low	30.7	Very low	205 Å²	205	159.1 Å²	159.1	90%	0.899	84%	0.843	S	S	*	*			trans	-156	127.9	134.5	-118	-83.9	0	0	0	111.9
9	L	30.8	Very low	30.7	Very low	149 Å²	149	160.1 Å²	160.1	78%	0.78	85%	0.848	S	S	*	*			trans	-125.6	116.2	169.2	-123.7	163.4	0	0	0	105.3
10	L	27.7	Very low	30.7	Very low	152 Å²	152	160.4 Å²	160.4	80%	0.796	85%	0.849	S	S	*	*			trans	-170.6	89	155.7	-109.3	148.6	0	0	0	111.6
11	I	31.9	Very low	30.9	Very low	144 Å²	144	158.6 Å²	158.6	74%	0.738	84%	0.844	S	S	*	*			trans	5.8	123	131.9	-46.9	173.2	0	0	0	116.5
12	A	29.2	Very low	31.2	Very low	100 Å²	100	155 Å²	155	83%	0.826	83%	0.825	S	S	*	*				151.9	123.4	116.9	0	0	0	0	0	112.1
13	G	27.5	Very low	31.6	Very low	78 Å²	78	150.9 Å²	150.9	80%	0.804	82%	0.817	S	S	*	*			trans	160.5	50.8	167.3	0	0	0	0	0	115.1	L15	G13-L15 PolarHBondContact O-N 3.45Å
14	L	35.1	Very low	32.9	Very low	168 Å²	168	151.4 Å²	151.4	88%	0.88	81%	0.811	S	S	*	*			trans	-57.2	111.7	172.5	-85.8	143	0	0	0	111.5
15	L	30	Very low	35.1	Very low	174 Å²	174	149.8 Å²	149.8	91%	0.911	80%	0.801	S	S	*	*			trans	-129.8	96	150.1	-88.8	164.4	0	0	0	106.3	G13 L17	G13-L15 PolarHBondContact O-N 3.45Å; L15-L17 PolarHBondContact O-N 3.15Å
16	S	33.2	Very low	37.9	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	77%	0.768	S	S	*	*			trans	-71.2	109.2	175.6	46.6	0	0	0	0	110.4
17	L	28.6	Very low	40.9	Very low	162 Å²	162	137.6 Å²	137.6	85%	0.848	74%	0.743	S	S	*	*			trans	-114.3	140.1	151.6	-88.1	157.9	0	0	0	107.3	L15 L19	L15-L17 PolarHBondContact O-N 3.15Å; L17-L19 PolarHBondContact O-N 3.1Å
18	P	32.8	Very low	43.9	Very low	118 Å²	118	128.6 Å²	128.6	77%	0.766	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.5	-163.1	30.4	-32.9	0	0	0	110.3	L20	P18-L20 PolarHBondContact O-N 2.92Å
19	L	30.2	Very low	47	Very low	177 Å²	177	121.3 Å²	121.3	93%	0.927	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-64.5	129.4	167.1	-86.1	156.7	0	0	0	108.6	L17	L17-L19 PolarHBondContact O-N 3.1Å
20	L	31.1	Very low	49.7	Very low	166 Å²	166	116.3 Å²	116.3	87%	0.869	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-51.5	136.1	169.4	-78.9	126.1	0	0	0	110.7	P18	P18-L20 PolarHBondContact O-N 2.92Å
21	T	34.7	Very low	52.2	Low	123 Å²	123	114 Å²	114	76%	0.755	66%	0.662	S	S	*	*			trans	-43.9	130.6	174.8	48.4	0	0	0	0	113.3	C23	T21-C23 PolarHBondContact O-N 3.24Å
22	E	42.3	Very low	54.6	Low	171 Å²	171	108.9 Å²	108.9	80%	0.799	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-54.1	134.4	154.5	-71.1	-167.2	155.9	0	0	108	D24	E22-D24 PolarHBondContact O-N 3.12Å
23	C	42.2	Very low	57.2	Low	115 Å²	115	108.7 Å²	108.7	78%	0.777	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.3	126.4	176.6	-66.7	0	0	0	0	109.9	T21 K25	T21-C23 PolarHBondContact O-N 3.24Å; C23-K25 PolarHBondContact O-N 3.03Å
24	D	54.7	Low	60.1	Low	128 Å²	128	105 Å²	105	68%	0.684	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-53.6	121.3	178.6	-61.9	-43.4	0	0	0	110.4	E22 I26	E22-D24 PolarHBondContact O-N 3.12Å; D24-I26 PolarHBondContact O-N 2.98Å
25	K	79.1	Confident	62.7	Low	127 Å²	127	97.4 Å²	97.4	55%	0.552	54%	0.54	S	S	*	.	S	Bend	trans	-84.3	6.3	-179.2	-68.3	-178.4	179.2	174.8	0	113.4	C23 I40 Y41	C23-K25 PolarHBondContact O-N 3.03Å; K25-I40 CarbonylContact O-C 3.51Å; K25-I40 WeakPolarHBondContact O-CA 3.36Å; K25-I40 WeakPolarHBondContact O-CG2 3.26Å; K25-Y41 PolarHBondContact O-N 3.48Å
26	I	89.8	Confident	65.6	Low	8 Å²	8	89.1 Å²	89.1	4%	0.041	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146	-176.9	-173.8	170.4	0	0	0	109.7	D24 V38 E39 I40 V62 E65 L66 I101	D24-I26 PolarHBondContact O-N 2.98Å; I26-V38 HydrophobicContact CD1-CG1 3.96Å; I26-V38 HydrophobicContact CG1-CG1 4.2Å; I26-E39 CarbonylContact C-O 3.59Å; I26-E39 WeakPolarHBondContact CA-O 3.25Å; I26-I40 HydrophobicContact CG1-CG1 4.44Å; I26-V62 HydrophobicContact CD1-CB 4.36Å; I26-V62 HydrophobicContact CD1-CG1 3.85Å; I26-V62 HydrophobicContact CD1-CG2 4.1Å; I26-E65 HydrophobicContact CG2-CG 3.79Å; I26-L66 HydrophobicContact CG2-CD2 3.86Å; I26-L66 HydrophobicContact CG2-CG 4.31Å; I26-I101 HydrophobicContact CD1-CG2 3.84Å
27	R	91	Very high	68.6	Low	97 Å²	97	85 Å²	85	37%	0.366	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.8	173.4	72.6	-175.6	-175.4	-173.1	-0.3	111.5	V29 E39 W46	R27-V29 HydrophobicContact CG-CG2 4.49Å; R27-E39 HydrophobicContact CG-CB 3.92Å; R27-E39 IonicContact CZ-OE2 2.7Å; R27-E39 PolarHBondContact N-O 3.1Å; R27-E39 IonicContact NE-OE2 3.17Å; R27-E39 PolarHBondContact NE-OE2 3.3Å; R27-E39 IonicContact NH2-OE2 3.7Å; R27-E39 PolarHBondContact NH2-OE2 3.25Å; R27-E39 PolarHBondContact O-N 3.44Å; R27-W46 HydrophobicContact CB-CH2 4.03Å; R27-W46 HydrophobicContact CB-CZ3 3.99Å; R27-W46 HydrophobicContact CG-CD2 4.47Å; R27-W46 HydrophobicContact CG-CE3 3.84Å; R27-W46 HydrophobicContact CG-CH2 3.93Å; R27-W46 HydrophobicContact CG-CZ3 3.55Å
28	L	92.3	Very high	71.8	Confident	29 Å²	29	77.2 Å²	77.2	15%	0.152	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.5	167.4	-58.3	-179.9	0	0	0	110.5	R37 V38 V62 L66 V122	L28-R37 WeakPolarHBondContact CA-O 3.34Å; L28-V38 HydrophobicContact CD2-CB 4.45Å; L28-V38 HydrophobicContact CD2-CG2 3.92Å; L28-V62 HydrophobicContact CD2-CG1 4.08Å; L28-L66 HydrophobicContact CD1-CD1 3.64Å; L28-L66 HydrophobicContact CD2-CD1 3.82Å; L28-L66 HydrophobicContact CG-CD1 3.42Å; L28-L66 VanDerWaalsContact CG-CD1 3.42Å; L28-V122 HydrophobicContact CD1-CG2 3.68Å; L28-V122 HydrophobicContact CD2-CG2 3.5Å; L28-V122 HydrophobicContact CG-CG2 4.25Å
29	V	92.3	Very high	74.8	Confident	53 Å²	53	72 Å²	72	32%	0.321	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	104.4	169.2	-178.3	0	0	0	0	107.9	R27 G36 R37 E39	R27-V29 HydrophobicContact CG-CG2 4.49Å; V29-G36 WeakPolarHBondContact O-CA 2.85Å; V29-R37 PolarHBondContact N-O 2.76Å; V29-R37 PolarHBondContact O-N 2.73Å; V29-E39 VanDerWaalsContact CG2-CD 3.43Å; V29-E39 HydrophobicContact CG2-CG 4.28Å; V29-E39 WeakPolarHBondContact CG2-OE1 3.17Å; V29-E39 WeakPolarHBondContact CG2-OE2 3.17Å
30	G	89.1	Confident	77.7	Confident	43 Å²	43	63.8 Å²	63.8	44%	0.443	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-166.6	-173.2	0	0	0	0	0	114.3	S32 A35	G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 3.31Å; G30-A35 CarbonylContact C-O 3.52Å; G30-A35 WeakPolarHBondContact CA-O 3.45Å
31	P	79.3	Confident	80.5	Confident	105 Å²	105	60.1 Å²	60.1	68%	0.682	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-16.3	-170.4	28.7	-36.5	0	0	0	115	A35 F80	P31-A35 VanDerWaalsContact CD-O 3.29Å; P31-A35 WeakPolarHBondContact CD-O 3.4Å; P31-A35 HydrophobicContact CG-CB 4.28Å; P31-F80 HydrophobicContact CG-CD1 4.35Å; P31-F80 HydrophobicContact CG-CE1 3.89Å
32	S	83.3	Confident	82.9	Confident	36 Å²	36	56.6 Å²	56.6	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	174.2	176.5	86.7	0	0	0	0	112.4	G30 C34 A35 E126	G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 3.31Å; S32-C34 PolarHBondContact O-N 2.9Å; S32-C34 PolarHBondContact OG-N 3Å; S32-A35 PolarHBondContact N-O 3.47Å; S32-A35 PolarHBondContact O-N 2.97Å; S32-A35 VanDerWaalsContact O-O 3.05Å; S32-A35 PolarHBondContact OG-N 2.82Å; S32-E126 WeakPolarHBondContact CB-OE2 3.4Å; S32-E126 PolarHBondContact OG-OE2 2.79Å
33	R	83.4	Confident	84.9	Confident	95 Å²	95	54 Å²	54	36%	0.358	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.8	177.1	79.2	-174.4	-174.8	95.3	3.6	113.2	E126 F144	R33-E126 HydrophobicContact CG-CG 4.31Å; R33-E126 IonicContact NE-OE1 3.31Å; R33-E126 PolarHBondContact NH2-O 3.47Å; R33-F144 VanDerWaalsContact CZ-CE1 3.4Å; R33-F144 VanDerWaalsContact NH2-CE1 3.28Å
34	C	88.6	Confident	86.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	11.9	-175.4	-68.9	0	0	0	0	112.6	S32 C68 C124 E126	S32-C34 PolarHBondContact O-N 2.9Å; S32-C34 PolarHBondContact OG-N 3Å; C34-C68 WeakPolarHBondContact CA-SG 3.39Å; C34-C68 HydrophobicContact CB-CB 3.84Å; C34-C68 WeakPolarHBondContact CB-SG 3.24Å; C34-C68 WeakPolarHBondContact SG-CB 3.03Å; C34-C68 CovalentContact SG-SG 2.04Å; C34-C68 PolarHBondContact SG-SG 3.36Å; C34-C124 HydrophobicContact CB-CB 4.08Å; C34-C124 PolarHBondContact O-N 3.39Å; C34-E126 HydrophobicContact CB-CB 4.31Å
35	A	88.7	Confident	88.5	Confident	9 Å²	9	51.8 Å²	51.8	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.3	176.2	0	0	0	0	0	110.9	G30 P31 S32 F80 V122 V123	G30-A35 CarbonylContact C-O 3.52Å; G30-A35 WeakPolarHBondContact CA-O 3.45Å; P31-A35 VanDerWaalsContact CD-O 3.29Å; P31-A35 WeakPolarHBondContact CD-O 3.4Å; P31-A35 HydrophobicContact CG-CB 4.28Å; S32-A35 PolarHBondContact N-O 3.47Å; S32-A35 PolarHBondContact O-N 2.97Å; S32-A35 VanDerWaalsContact O-O 3.05Å; S32-A35 PolarHBondContact OG-N 2.82Å; A35-F80 HydrophobicContact CB-CZ 4.42Å; A35-V122 VanDerWaalsContact CA-O 3.31Å; A35-V122 WeakPolarHBondContact CA-O 3.46Å; A35-V123 HydrophobicContact CB-CG1 4.29Å; A35-V123 HydrophobicContact CB-CG2 4.35Å
36	G	91.6	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	178.6	178.3	0	0	0	0	0	114.5	V29 G121 V122	V29-G36 WeakPolarHBondContact O-CA 2.85Å; G36-G121 VanDerWaalsContact O-CA 3.31Å; G36-G121 WeakPolarHBondContact O-CA 3.5Å; G36-V122 PolarHBondContact N-O 2.92Å; G36-V122 PolarHBondContact O-N 2.86Å
37	R	95.8	Very high	89.2	Confident	22 Å²	22	48.4 Å²	48.4	8%	0.083	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.3	170	-177.3	178.1	59.3	-106.4	-1.7	109.7	L28 V29 E39 T48 F80 G81 E82 D119	L28-R37 WeakPolarHBondContact CA-O 3.34Å; V29-R37 PolarHBondContact N-O 2.76Å; V29-R37 PolarHBondContact O-N 2.73Å; R37-E39 IonicContact CZ-OE1 2.69Å; R37-E39 IonicContact NE-OE1 3.34Å; R37-E39 PolarHBondContact NE-OE1 2.6Å; R37-E39 IonicContact NH2-OE1 2.8Å; R37-E39 PolarHBondContact NH2-OE1 3.26Å; R37-T48 HydrophobicContact CG-CG2 4.44Å; R37-F80 HydrophobicContact CB-CB 4.1Å; R37-G81 PolarHBondContact NH1-O 3.13Å; R37-E82 PolarHBondContact NH1-O 2.8Å; R37-D119 HydrophobicContact CG-CB 4.09Å
38	V	96.2	Very high	89.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.5	-178.7	-172.4	0	0	0	0	109.9	I26 L28 V49 W54 V62 A120 V122	I26-V38 HydrophobicContact CD1-CG1 3.96Å; I26-V38 HydrophobicContact CG1-CG1 4.2Å; L28-V38 HydrophobicContact CD2-CB 4.45Å; L28-V38 HydrophobicContact CD2-CG2 3.92Å; V38-V49 HydrophobicContact CB-CG2 4.27Å; V38-V49 HydrophobicContact CG1-CG2 3.95Å; V38-W54 HydrophobicContact CG2-CH2 4.25Å; V38-W54 HydrophobicContact CG2-CZ2 3.88Å; V38-V62 HydrophobicContact CG1-CG1 4.3Å; V38-V62 HydrophobicContact CG1-CG2 4.24Å; V38-V62 HydrophobicContact CG2-CG1 4.17Å; V38-V62 HydrophobicContact CG2-CG2 4.44Å; V38-A120 PolarHBondContact N-O 2.7Å; V38-V122 HydrophobicContact CG2-CG1 3.76Å; V38-V122 HydrophobicContact CG2-CG2 4.2Å
39	E	94.4	Very high	89.7	Confident	9 Å²	9	42.4 Å²	42.4	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.2	175	-69.3	-179.2	-172.6	0	0	110.6	I26 R27 V29 R37 W46 G47 T48	I26-E39 CarbonylContact C-O 3.59Å; I26-E39 WeakPolarHBondContact CA-O 3.25Å; R27-E39 HydrophobicContact CG-CB 3.92Å; R27-E39 IonicContact CZ-OE2 2.7Å; R27-E39 PolarHBondContact N-O 3.1Å; R27-E39 IonicContact NE-OE2 3.17Å; R27-E39 PolarHBondContact NE-OE2 3.3Å; R27-E39 IonicContact NH2-OE2 3.7Å; R27-E39 PolarHBondContact NH2-OE2 3.25Å; R27-E39 PolarHBondContact O-N 3.44Å; V29-E39 VanDerWaalsContact CG2-CD 3.43Å; V29-E39 HydrophobicContact CG2-CG 4.28Å; V29-E39 WeakPolarHBondContact CG2-OE1 3.17Å; V29-E39 WeakPolarHBondContact CG2-OE2 3.17Å; R37-E39 IonicContact CZ-OE1 2.69Å; R37-E39 IonicContact NE-OE1 3.34Å; R37-E39 PolarHBondContact NE-OE1 2.6Å; R37-E39 IonicContact NH2-OE1 2.8Å; R37-E39 PolarHBondContact NH2-OE1 3.26Å; E39-W46 HydrophobicContact CB-CE3 4.05Å; E39-W46 WeakPolarHBondContact O-CZ3 3.48Å; E39-G47 CarbonylContact C-O 3.44Å; E39-G47 VanDerWaalsContact CA-O 3.26Å; E39-G47 WeakPolarHBondContact CA-O 3.32Å; E39-T48 HydrophobicContact CG-CG2 4.02Å
40	I	92.6	Very high	89.8	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141	-177.8	-61.2	175.5	0	0	0	109.3	K25 I26 W46 G47 V49 L89 I101 T102	K25-I40 CarbonylContact O-C 3.51Å; K25-I40 WeakPolarHBondContact O-CA 3.36Å; K25-I40 WeakPolarHBondContact O-CG2 3.26Å; I26-I40 HydrophobicContact CG1-CG1 4.44Å; I40-W46 WeakPolarHBondContact O-CA 3.26Å; I40-G47 PolarHBondContact N-O 2.76Å; I40-G47 PolarHBondContact O-N 3.17Å; I40-V49 HydrophobicContact CD1-CG2 3.53Å; I40-V49 HydrophobicContact CG1-CG2 3.96Å; I40-L89 HydrophobicContact CD1-CD1 3.19Å; I40-L89 HydrophobicContact CD1-CG 3.72Å; I40-I101 HydrophobicContact CD1-CG2 3.54Å; I40-I101 HydrophobicContact CG1-CG2 4.27Å; I40-T102 HydrophobicContact CD1-CG2 4.4Å; I40-T102 HydrophobicContact CG2-CG2 4.12Å
41	Y	88.8	Confident	89.9	Confident	90 Å²	90	38.4 Å²	38.4	35%	0.353	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.4	176.8	-167.3	-113.3	0	0	0	110.6	K25 D44 W46	K25-Y41 PolarHBondContact O-N 3.48Å; Y41-D44 VanDerWaalsContact CE2-C 3.46Å; Y41-D44 WeakPolarHBondContact OH-CA 3.34Å; Y41-D44 PolarHBondContact OH-O 2.98Å; Y41-W46 AromaticContact CD2-CD1 3.74Å; Y41-W46 AromaticContact CD2-CD2 3.81Å; Y41-W46 HydrophobicContact CD2-CD2 3.81Å; Y41-W46 AromaticContact CD2-CE2 3.59Å; Y41-W46 HydrophobicContact CD2-CE3 4.48Å; Y41-W46 AromaticContact CD2-CG 3.92Å; Y41-W46 HydrophobicContact CD2-CG 3.92Å; Y41-W46 HydrophobicContact CD2-CZ2 4.12Å; Y41-W46 AromaticContact CD2-NE1 3.52Å; Y41-W46 AromaticContact CE2-NE1 3.91Å; Y41-W46 HydrophobicContact CG-CD2 4.4Å; Y41-W46 HydrophobicContact CG-CZ2 4.23Å
42	H	86	Confident	90.3	Very high	49 Å²	49	35.4 Å²	35.4	23%	0.227	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.5	179.7	-177.4	-101	0	0	0	110.4	D44 V45 W88 F109	H42-D44 VanDerWaalsContact C-N 3.33Å; H42-D44 PolarHBondContact O-N 3.34Å; H42-V45 PolarHBondContact N-O 2.03Å; H42-V45 VanDerWaalsContact N-O 3.08Å; H42-V45 PolarHBondContact O-N 2.78Å; H42-V45 VanDerWaalsContact O-N 3.11Å; H42-W88 HydrophobicContact CB-CD2 4.06Å; H42-W88 HydrophobicContact CB-CG 4.11Å; H42-W88 AromaticContact ND1-CD2 3.99Å; H42-W88 AromaticContact ND1-CE3 3.77Å; H42-W88 AromaticContact ND1-CZ3 3.86Å; H42-W88 WeakPolarHBondContact O-CZ2 3.48Å; H42-F109 HydrophobicContact CB-CD1 4.35Å; H42-F109 AromaticContact CD2-CD1 3.89Å; H42-F109 AromaticContact CE1-CG 3.9Å; H42-F109 AromaticContact CG-CD1 3.84Å; H42-F109 AromaticContact NE2-CG 3.88Å
43	N	84.3	Confident	90.2	Very high	116 Å²	116	39.1 Å²	39.1	62%	0.62	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	48.8	-177.1	-70.3	-19.1	0	0	0	114.2	V45	N43-V45 PolarHBondContact O-N 2.73Å; N43-V45 VanDerWaalsContact O-N 3.14Å
44	D	84.1	Confident	90.3	Very high	136 Å²	136	34.7 Å²	34.7	73%	0.727	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	9.3	-179.9	-60.6	-44.8	0	0	0	116.3	Y41 H42	Y41-D44 VanDerWaalsContact CE2-C 3.46Å; Y41-D44 WeakPolarHBondContact OH-CA 3.34Å; Y41-D44 PolarHBondContact OH-O 2.98Å; H42-D44 VanDerWaalsContact C-N 3.33Å; H42-D44 PolarHBondContact O-N 3.34Å
45	V	87.3	Confident	89.8	Confident	61 Å²	61	35.9 Å²	35.9	37%	0.37	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.9	-178.1	-177.5	0	0	0	0	111.3	H42 N43 N85 W88	H42-V45 PolarHBondContact N-O 2.03Å; H42-V45 VanDerWaalsContact N-O 3.08Å; H42-V45 PolarHBondContact O-N 2.78Å; H42-V45 VanDerWaalsContact O-N 3.11Å; N43-V45 PolarHBondContact O-N 2.73Å; N43-V45 VanDerWaalsContact O-N 3.14Å; V45-N85 HydrophobicContact CG1-CB 4.37Å; V45-W88 HydrophobicContact CB-CZ2 4.44Å; V45-W88 PolarHBondContact O-NE1 3.49Å
46	W	92.2	Very high	89	Confident	64 Å²	64	36.4 Å²	36.4	24%	0.242	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.8	170	-71	95.8	0	0	0	110.1	R27 E39 I40 Y41	R27-W46 HydrophobicContact CB-CH2 4.03Å; R27-W46 HydrophobicContact CB-CZ3 3.99Å; R27-W46 HydrophobicContact CG-CD2 4.47Å; R27-W46 HydrophobicContact CG-CE3 3.84Å; R27-W46 HydrophobicContact CG-CH2 3.93Å; R27-W46 HydrophobicContact CG-CZ3 3.55Å; E39-W46 HydrophobicContact CB-CE3 4.05Å; E39-W46 WeakPolarHBondContact O-CZ3 3.48Å; I40-W46 WeakPolarHBondContact O-CA 3.26Å; Y41-W46 AromaticContact CD2-CD1 3.74Å; Y41-W46 AromaticContact CD2-CD2 3.81Å; Y41-W46 HydrophobicContact CD2-CD2 3.81Å; Y41-W46 AromaticContact CD2-CE2 3.59Å; Y41-W46 HydrophobicContact CD2-CE3 4.48Å; Y41-W46 AromaticContact CD2-CG 3.92Å; Y41-W46 HydrophobicContact CD2-CG 3.92Å; Y41-W46 HydrophobicContact CD2-CZ2 4.12Å; Y41-W46 AromaticContact CD2-NE1 3.52Å; Y41-W46 AromaticContact CE2-NE1 3.91Å; Y41-W46 HydrophobicContact CG-CD2 4.4Å; Y41-W46 HydrophobicContact CG-CZ2 4.23Å
47	G	93	Very high	88.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.2	175	0	0	0	0	0	111.7	E39 I40 E86 W88	E39-G47 CarbonylContact C-O 3.44Å; E39-G47 VanDerWaalsContact CA-O 3.26Å; E39-G47 WeakPolarHBondContact CA-O 3.32Å; I40-G47 PolarHBondContact N-O 2.76Å; I40-G47 PolarHBondContact O-N 3.17Å; G47-E86 CarbonylContact C-O 3.55Å; G47-E86 WeakPolarHBondContact CA-O 3.45Å; G47-W88 VanDerWaalsContact N-CD1 3.34Å
48	T	95.8	Very high	87.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	176.5	-174.3	55.4	0	0	0	0	112.2	R37 E39 E86 I87 W88 H116 D119	R37-T48 HydrophobicContact CG-CG2 4.44Å; E39-T48 HydrophobicContact CG-CG2 4.02Å; T48-E86 PolarHBondContact N-O 2.62Å; T48-I87 CarbonylContact O-C 3.59Å; T48-I87 WeakPolarHBondContact OG1-CG1 3.24Å; T48-W88 PolarHBondContact O-N 2.67Å; T48-H116 PolarHBondContact OG1-CE1 2.87Å; T48-H116 PolarHBondContact OG1-ND1 2.98Å; T48-D119 WeakPolarHBondContact CB-OD1 3.03Å; T48-D119 WeakPolarHBondContact CG2-OD2 3.12Å; T48-D119 PolarHBondContact OG1-OD1 3.32Å
49	V	96.3	Very high	86.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.1	177	-179.9	0	0	0	0	108.2	V38 I40 W54 L89 V92 A120	V38-V49 HydrophobicContact CB-CG2 4.27Å; V38-V49 HydrophobicContact CG1-CG2 3.95Å; I40-V49 HydrophobicContact CD1-CG2 3.53Å; I40-V49 HydrophobicContact CG1-CG2 3.96Å; V49-W54 HydrophobicContact CB-CZ3 4.47Å; V49-W54 HydrophobicContact CG1-CE3 3.92Å; V49-W54 HydrophobicContact CG1-CH2 4.08Å; V49-W54 HydrophobicContact CG1-CZ3 3.45Å; V49-W54 VanDerWaalsContact CG1-CZ3 3.45Å; V49-L89 HydrophobicContact CB-CB 4.47Å; V49-L89 HydrophobicContact CG1-CB 3.95Å; V49-L89 HydrophobicContact CG2-CB 4.22Å; V49-L89 HydrophobicContact CG2-CD1 4.47Å; V49-V92 HydrophobicContact CG1-CG2 3.89Å; V49-A120 HydrophobicContact CB-CB 4.28Å; V49-A120 HydrophobicContact CG1-CB 4.3Å; V49-A120 VanDerWaalsContact O-CB 3.32Å; V49-A120 WeakPolarHBondContact O-CB 3.28Å; V49-A120 PolarHBondContact O-N 2.9Å
50	C	94.8	Very high	86.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-74.1	148.3	176.2	-174.2	0	0	0	0	111.8	D52 I87 L89 D90 C114 E118	C50-D52 PolarHBondContact SG-N 3.4Å; C50-I87 HydrophobicContact CB-CG2 3.99Å; C50-L89 PolarHBondContact N-O 2.68Å; C50-D90 HydrophobicContact CB-CB 4.29Å; C50-C114 HydrophobicContact CB-CB 3.75Å; C50-C114 WeakPolarHBondContact CB-SG 3.07Å; C50-C114 WeakPolarHBondContact SG-CB 3.45Å; C50-C114 CovalentContact SG-SG 2.02Å; C50-C114 PolarHBondContact SG-SG 2.82Å; C50-E118 CarbonylContact C-O 3.59Å
51	D	91.1	Very high	85.8	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.064	20%	0.197	C	C	.	.			trans	-87	-0.9	178.9	73.5	-5.6	0	0	0	114.9	H53 W54 K76 S77 E118 A120	D51-H53 PolarHBondContact O-N 2.98Å; D51-W54 VanDerWaalsContact CA-CB 3.5Å; D51-W54 HydrophobicContact CB-CB 4.06Å; D51-W54 WeakPolarHBondContact O-CB 3.39Å; D51-W54 PolarHBondContact O-N 2.95Å; D51-K76 HydrophobicContact CB-CB 4.09Å; D51-K76 HydrophobicContact CB-CD 4.31Å; D51-K76 HydrophobicContact CB-CG 3.99Å; D51-K76 WeakPolarHBondContact OD2-CA 3.39Å; D51-K76 VanDerWaalsContact OD2-CB 3.23Å; D51-K76 WeakPolarHBondContact OD2-CB 3.3Å; D51-S77 WeakPolarHBondContact OD2-CA 3.27Å; D51-S77 PolarHBondContact OD2-N 3.22Å; D51-E118 VanDerWaalsContact CB-O 3.28Å; D51-E118 WeakPolarHBondContact CB-O 3.39Å; D51-E118 PolarHBondContact N-O 3.23Å; D51-E118 VanDerWaalsContact OD1-CB 3.29Å; D51-E118 WeakPolarHBondContact OD1-CB 3.36Å; D51-A120 HydrophobicContact CB-CB 4.18Å
52	D	88.4	Confident	85.8	Confident	41 Å²	41	34.2 Å²	34.2	22%	0.219	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	121.6	167.1	-83.9	-4.8	0	0	0	109	C50 W54 D90 N113	C50-D52 PolarHBondContact SG-N 3.4Å; D52-W54 PolarHBondContact O-N 3.13Å; D52-D90 WeakPolarHBondContact CB-OD1 3.26Å; D52-N113 PolarHBondContact OD2-ND2 3.42Å
53	H	80.1	Confident	85.9	Confident	114 Å²	114	31.9 Å²	31.9	53%	0.528	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	13.5	-171.5	-60	87.3	0	0	0	115.8	D51 S55 N58 D91 Q93	D51-H53 PolarHBondContact O-N 2.98Å; H53-S55 PolarHBondContact O-N 3.44Å; H53-N58 PolarHBondContact O-OD1 3.19Å; H53-D91 IonicContact CE1-OD1 3.96Å; H53-D91 PolarHBondContact CE1-OD1 3.47Å; H53-D91 IonicContact CG-OD1 3.08Å; H53-D91 IonicContact ND1-OD1 3.38Å; H53-D91 PolarHBondContact ND1-OD1 2.77Å; H53-Q93 HydrophobicContact CB-CG 4.04Å
54	W	87.2	Confident	86	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.011	16%	0.157	C	C	.	.			trans	-67.9	121.7	178.8	-167.9	-110.1	0	0	0	111.7	V38 V49 D51 D52 N58 V62 K76 V92 I101 A120 G121 V122	V38-W54 HydrophobicContact CG2-CH2 4.25Å; V38-W54 HydrophobicContact CG2-CZ2 3.88Å; V49-W54 HydrophobicContact CB-CZ3 4.47Å; V49-W54 HydrophobicContact CG1-CE3 3.92Å; V49-W54 HydrophobicContact CG1-CH2 4.08Å; V49-W54 HydrophobicContact CG1-CZ3 3.45Å; V49-W54 VanDerWaalsContact CG1-CZ3 3.45Å; D51-W54 VanDerWaalsContact CA-CB 3.5Å; D51-W54 HydrophobicContact CB-CB 4.06Å; D51-W54 WeakPolarHBondContact O-CB 3.39Å; D51-W54 PolarHBondContact O-N 2.95Å; D52-W54 PolarHBondContact O-N 3.13Å; W54-N58 HydrophobicContact CD2-CB 4Å; W54-N58 HydrophobicContact CE3-CB 3.68Å; W54-N58 HydrophobicContact CH2-CB 4.04Å; W54-N58 HydrophobicContact CZ2-CB 4.32Å; W54-N58 HydrophobicContact CZ3-CB 3.69Å; W54-V62 HydrophobicContact CH2-CG2 3.9Å; W54-V62 HydrophobicContact CZ2-CG2 4.24Å; W54-K76 WeakPolarHBondContact O-CE 3.48Å; W54-K76 PolarHBondContact O-NZ 3.43Å; W54-V92 HydrophobicContact CE3-CB 4.34Å; W54-V92 HydrophobicContact CZ3-CB 4.24Å; W54-V92 HydrophobicContact CZ3-CG1 4.45Å; W54-V92 HydrophobicContact CZ3-CG2 4.44Å; W54-I101 HydrophobicContact CH2-CD1 3.67Å; W54-I101 HydrophobicContact CH2-CG1 4.46Å; W54-I101 HydrophobicContact CZ3-CD1 3.76Å; W54-I101 HydrophobicContact CZ3-CG1 4.45Å; W54-A120 HydrophobicContact CD2-CB 3.56Å; W54-A120 HydrophobicContact CE3-CB 4.02Å; W54-A120 HydrophobicContact CG-CB 3.8Å; W54-A120 HydrophobicContact CH2-CB 4.44Å; W54-A120 HydrophobicContact CZ2-CB 4.03Å; W54-A120 HydrophobicContact CZ3-CB 4.44Å; W54-G121 PolarHBondContact NE1-O 2.81Å; W54-G121 VanDerWaalsContact NE1-O 3.15Å; W54-V122 HydrophobicContact CZ2-CG1 3.8Å
55	S	78	Confident	86.2	Confident	24 Å²	24	27.2 Å²	27.2	17%	0.168	14%	0.135	C	C	.	.			trans	-127.6	170.2	-172.5	70.4	0	0	0	0	111.3	H53 A57 N58 A59	H53-S55 PolarHBondContact O-N 3.44Å; S55-A57 PolarHBondContact O-N 2.03Å; S55-A57 PolarHBondContact OG-N 3.27Å; S55-N58 WeakPolarHBondContact CB-OD1 3.37Å; S55-N58 PolarHBondContact N-OD1 2.86Å; S55-N58 WeakPolarHBondContact O-CB 3.33Å; S55-N58 PolarHBondContact O-N 3.07Å; S55-N58 VanDerWaalsContact O-N 3.14Å; S55-N58 PolarHBondContact OG-N 2.86Å; S55-N58 PolarHBondContact OG-OD1 2.69Å; S55-A59 PolarHBondContact O-N 3.4Å; S55-A59 VanDerWaalsContact O-N 3.12Å
56	V	70.4	Confident	86.2	Confident	21 Å²	21	26.2 Å²	26.2	13%	0.127	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-30.5	171.2	174.9	0	0	0	0	111.8	N58 A59 E60 V71 A74 E246	V56-N58 VanDerWaalsContact C-N 3.34Å; V56-N58 PolarHBondContact O-N 3.38Å; V56-A59 PolarHBondContact O-N 2.87Å; V56-E60 WeakPolarHBondContact O-CB 3.45Å; V56-E60 PolarHBondContact O-N 3.4Å; V56-V71 HydrophobicContact CG1-CB 4.44Å; V56-V71 HydrophobicContact CG1-CG1 3.4Å; V56-V71 HydrophobicContact CG1-CG2 4.18Å; V56-A74 HydrophobicContact CG2-CB 4.21Å; V56-E246 HydrophobicContact CB-CG 4.14Å; V56-E246 HydrophobicContact CG2-CB 3.73Å; V56-E246 HydrophobicContact CG2-CG 3.83Å
57	A	72.4	Confident	85.9	Confident	31 Å²	31	27.1 Å²	27.1	26%	0.256	14%	0.137	S	C	.	.	H	α-helix	trans	-66.8	-34.8	175.9	0	0	0	0	0	112.3	S55 V61 C94	S55-A57 PolarHBondContact O-N 2.03Å; S55-A57 PolarHBondContact OG-N 3.27Å; A57-V61 PolarHBondContact O-N 3.4Å; A57-C94 VanDerWaalsContact CB-O 3.25Å; A57-C94 WeakPolarHBondContact CB-O 3.49Å
58	N	81.4	Confident	85.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-47.9	172.1	-54.4	110	0	0	0	111.2	H53 W54 S55 V56 E60 V61 V62 V92 C94 I101	H53-N58 PolarHBondContact O-OD1 3.19Å; W54-N58 HydrophobicContact CD2-CB 4Å; W54-N58 HydrophobicContact CE3-CB 3.68Å; W54-N58 HydrophobicContact CH2-CB 4.04Å; W54-N58 HydrophobicContact CZ2-CB 4.32Å; W54-N58 HydrophobicContact CZ3-CB 3.69Å; S55-N58 WeakPolarHBondContact CB-OD1 3.37Å; S55-N58 PolarHBondContact N-OD1 2.86Å; S55-N58 WeakPolarHBondContact O-CB 3.33Å; S55-N58 PolarHBondContact O-N 3.07Å; S55-N58 VanDerWaalsContact O-N 3.14Å; S55-N58 PolarHBondContact OG-N 2.86Å; S55-N58 PolarHBondContact OG-OD1 2.69Å; V56-N58 VanDerWaalsContact C-N 3.34Å; V56-N58 PolarHBondContact O-N 3.38Å; N58-E60 VanDerWaalsContact C-N 3.28Å; N58-E60 PolarHBondContact O-N 3.19Å; N58-V61 WeakPolarHBondContact O-CB 3.41Å; N58-V61 PolarHBondContact O-N 3.41Å; N58-V61 VanDerWaalsContact O-N 3.14Å; N58-V62 PolarHBondContact O-N 3.4Å; N58-V92 VanDerWaalsContact CG-O 3.27Å; N58-V92 PolarHBondContact ND2-O 2.78Å; N58-V92 PolarHBondContact OD1-O 3.06Å; N58-C94 WeakPolarHBondContact ND2-CB 3.37Å; N58-C94 PolarHBondContact ND2-N 2.85Å; N58-C94 PolarHBondContact ND2-SG 3.25Å; N58-I101 HydrophobicContact CB-CD1 4.13Å
59	A	83.9	Confident	84.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-33.9	179.3	0	0	0	0	0	112.6	S55 V56 V61 V62 C63 V71 A74 V122	S55-A59 PolarHBondContact O-N 3.4Å; S55-A59 VanDerWaalsContact O-N 3.12Å; V56-A59 PolarHBondContact O-N 2.87Å; A59-V61 VanDerWaalsContact C-N 3.35Å; A59-V61 PolarHBondContact O-N 2.94Å; A59-V62 WeakPolarHBondContact O-CB 3.46Å; A59-V62 PolarHBondContact O-N 3.23Å; A59-C63 WeakPolarHBondContact O-CB 3.23Å; A59-C63 PolarHBondContact O-N 2.04Å; A59-C63 PolarHBondContact O-SG 2.76Å; A59-V71 HydrophobicContact CB-CG2 3.49Å; A59-V71 VanDerWaalsContact CB-CG2 3.49Å; A59-A74 HydrophobicContact CB-CB 3.81Å; A59-V122 HydrophobicContact CB-CB 4.25Å; A59-V122 HydrophobicContact CB-CG1 3.5Å
60	E	79.2	Confident	83.7	Confident	47 Å²	47	28.9 Å²	28.9	22%	0.22	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-41.2	173.4	-176.7	67.5	-168.5	0	0	112	V56 N58 C63 R64 V71	V56-E60 WeakPolarHBondContact O-CB 3.45Å; V56-E60 PolarHBondContact O-N 3.4Å; N58-E60 VanDerWaalsContact C-N 3.28Å; N58-E60 PolarHBondContact O-N 3.19Å; E60-C63 PolarHBondContact O-N 3.36Å; E60-R64 WeakPolarHBondContact O-CB 3.29Å; E60-R64 PolarHBondContact O-N 2.88Å; E60-V71 HydrophobicContact CB-CB 4.46Å; E60-V71 HydrophobicContact CB-CG1 4.18Å; E60-V71 WeakPolarHBondContact OE2-CB 3.4Å; E60-V71 WeakPolarHBondContact OE2-CG1 3.38Å; E60-V71 PolarHBondContact OE2-N 3.41Å
61	V	87.8	Confident	82.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-43.5	174.8	176.2	0	0	0	0	110.6	A57 N58 A59 R64 E65 C94 E98 I101	A57-V61 PolarHBondContact O-N 3.4Å; N58-V61 WeakPolarHBondContact O-CB 3.41Å; N58-V61 PolarHBondContact O-N 3.41Å; N58-V61 VanDerWaalsContact O-N 3.14Å; A59-V61 VanDerWaalsContact C-N 3.35Å; A59-V61 PolarHBondContact O-N 2.94Å; V61-R64 PolarHBondContact O-N 3.22Å; V61-E65 VanDerWaalsContact O-CB 3.26Å; V61-E65 WeakPolarHBondContact O-CB 3.41Å; V61-E65 PolarHBondContact O-N 2.95Å; V61-C94 HydrophobicContact CG2-CB 3.82Å; V61-E98 HydrophobicContact CG1-CB 4.21Å; V61-E98 HydrophobicContact CG2-CB 4.01Å; V61-E98 WeakPolarHBondContact CG2-OE2 3.05Å; V61-I101 HydrophobicContact CG1-CB 4.3Å; V61-I101 VanDerWaalsContact CG1-N 3.28Å
62	V	89.1	Confident	81.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-49	177.1	177.7	0	0	0	0	111.7	I26 L28 V38 W54 N58 A59 R64 E65 L66 I101 V122	I26-V62 HydrophobicContact CD1-CB 4.36Å; I26-V62 HydrophobicContact CD1-CG1 3.85Å; I26-V62 HydrophobicContact CD1-CG2 4.1Å; L28-V62 HydrophobicContact CD2-CG1 4.08Å; V38-V62 HydrophobicContact CG1-CG1 4.3Å; V38-V62 HydrophobicContact CG1-CG2 4.24Å; V38-V62 HydrophobicContact CG2-CG1 4.17Å; V38-V62 HydrophobicContact CG2-CG2 4.44Å; W54-V62 HydrophobicContact CH2-CG2 3.9Å; W54-V62 HydrophobicContact CZ2-CG2 4.24Å; N58-V62 PolarHBondContact O-N 3.4Å; A59-V62 WeakPolarHBondContact O-CB 3.46Å; A59-V62 PolarHBondContact O-N 3.23Å; V62-R64 VanDerWaalsContact C-N 3.28Å; V62-R64 PolarHBondContact O-N 3.25Å; V62-E65 PolarHBondContact O-N 3.15Å; V62-L66 HydrophobicContact CG1-CD1 3.65Å; V62-L66 HydrophobicContact CG1-CG 4.48Å; V62-L66 WeakPolarHBondContact O-CB 3.37Å; V62-L66 WeakPolarHBondContact O-CG 3Å; V62-L66 PolarHBondContact O-N 2.98Å; V62-I101 HydrophobicContact CG2-CB 4.31Å; V62-I101 HydrophobicContact CG2-CD1 3.61Å; V62-I101 HydrophobicContact CG2-CG1 4.27Å; V62-V122 HydrophobicContact CB-CG1 4.23Å; V62-V122 HydrophobicContact CG1-CG1 4.22Å; V62-V122 HydrophobicContact CG1-CG2 3.9Å; V62-V122 HydrophobicContact CG2-CG1 4.5Å
63	C	86.4	Confident	81	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-41.5	179.2	-66.9	0	0	0	0	111.2	A59 E60 N67 C68 C124	A59-C63 WeakPolarHBondContact O-CB 3.23Å; A59-C63 PolarHBondContact O-N 2.04Å; A59-C63 PolarHBondContact O-SG 2.76Å; E60-C63 PolarHBondContact O-N 3.36Å; C63-N67 PolarHBondContact O-N 3.48Å; C63-C68 HydrophobicContact CB-CB 4.46Å; C63-C68 WeakPolarHBondContact O-CA 3.38Å; C63-C68 WeakPolarHBondContact O-CB 3.18Å; C63-C68 PolarHBondContact O-N 3.06Å; C63-C124 WeakPolarHBondContact CA-SG 3.43Å; C63-C124 HydrophobicContact CB-CB 3.75Å; C63-C124 WeakPolarHBondContact CB-SG 3.03Å; C63-C124 WeakPolarHBondContact SG-CB 3.05Å; C63-C124 CovalentContact SG-SG 2.02Å; C63-C124 PolarHBondContact SG-SG 2.87Å
64	R	86.4	Confident	80.8	Confident	99 Å²	99	26.9 Å²	26.9	37%	0.374	14%	0.14	S	C	.	.	H	α-helix	trans	-68.5	-45.9	175.8	179.6	172.7	58.6	-127.9	-8.1	112.6	E60 V61 V62 L66 N67 G96 K97 E98	E60-R64 WeakPolarHBondContact O-CB 3.29Å; E60-R64 PolarHBondContact O-N 2.88Å; V61-R64 PolarHBondContact O-N 3.22Å; V62-R64 VanDerWaalsContact C-N 3.28Å; V62-R64 PolarHBondContact O-N 3.25Å; R64-L66 PolarHBondContact O-N 3.5Å; R64-N67 PolarHBondContact O-N 3.49Å; R64-G96 VanDerWaalsContact CZ-O 3.31Å; R64-G96 PolarHBondContact NH1-O 2.96Å; R64-G96 PolarHBondContact NH2-O 2.69Å; R64-K97 VanDerWaalsContact NH2-CA 3.31Å; R64-K97 PolarHBondContact NH2-O 2.93Å; R64-E98 PolarHBondContact NH2-O 3.28Å
65	E	89.6	Confident	80.4	Confident	54 Å²	54	28.5 Å²	28.5	25%	0.252	15%	0.147	S	C	.	.	H	α-helix	trans	-60.4	-36.1	-178.9	-172	171.6	-172.7	0	0	111.6	I26 V61 V62 N67 S100 I101	I26-E65 HydrophobicContact CG2-CG 3.79Å; V61-E65 VanDerWaalsContact O-CB 3.26Å; V61-E65 WeakPolarHBondContact O-CB 3.41Å; V61-E65 PolarHBondContact O-N 2.95Å; V62-E65 PolarHBondContact O-N 3.15Å; E65-N67 VanDerWaalsContact C-N 3.28Å; E65-N67 PolarHBondContact O-N 2.84Å; E65-S100 VanDerWaalsContact OE1-CB 3.23Å; E65-S100 WeakPolarHBondContact OE1-CB 3.31Å; E65-S100 PolarHBondContact OE1-OG 3.29Å; E65-S100 WeakPolarHBondContact OE2-CA 3.03Å; E65-S100 PolarHBondContact OE2-OG 2.94Å; E65-I101 PolarHBondContact OE2-N 3.44Å
66	L	87.1	Confident	80.8	Confident	40 Å²	40	31.4 Å²	31.4	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.1	175.9	-66.8	167.3	0	0	0	114.4	I26 L28 V62 R64 C68	I26-L66 HydrophobicContact CG2-CD2 3.86Å; I26-L66 HydrophobicContact CG2-CG 4.31Å; L28-L66 HydrophobicContact CD1-CD1 3.64Å; L28-L66 HydrophobicContact CD2-CD1 3.82Å; L28-L66 HydrophobicContact CG-CD1 3.42Å; L28-L66 VanDerWaalsContact CG-CD1 3.42Å; V62-L66 HydrophobicContact CG1-CD1 3.65Å; V62-L66 HydrophobicContact CG1-CG 4.48Å; V62-L66 WeakPolarHBondContact O-CB 3.37Å; V62-L66 WeakPolarHBondContact O-CG 3Å; V62-L66 PolarHBondContact O-N 2.98Å; R64-L66 PolarHBondContact O-N 3.5Å; L66-C68 PolarHBondContact O-N 2.92Å
67	N	84.6	Confident	81.6	Confident	83 Å²	83	34.5 Å²	34.5	44%	0.444	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	37.6	-174.7	-172.7	36.9	0	0	0	112.9	C63 R64 E65 W149	C63-N67 PolarHBondContact O-N 3.48Å; R64-N67 PolarHBondContact O-N 3.49Å; E65-N67 VanDerWaalsContact C-N 3.28Å; E65-N67 PolarHBondContact O-N 2.84Å; N67-W149 PolarHBondContact OD1-NE1 3.2Å
68	C	84.4	Confident	82.4	Confident	7 Å²	7	33.7 Å²	33.7	5%	0.047	17%	0.173	C	C	.	.			trans	-85	176	166.6	-74.6	0	0	0	0	110.6	C34 C63 L66 C124	C34-C68 WeakPolarHBondContact CA-SG 3.39Å; C34-C68 HydrophobicContact CB-CB 3.84Å; C34-C68 WeakPolarHBondContact CB-SG 3.24Å; C34-C68 WeakPolarHBondContact SG-CB 3.03Å; C34-C68 CovalentContact SG-SG 2.04Å; C34-C68 PolarHBondContact SG-SG 3.36Å; C63-C68 HydrophobicContact CB-CB 4.46Å; C63-C68 WeakPolarHBondContact O-CA 3.38Å; C63-C68 WeakPolarHBondContact O-CB 3.18Å; C63-C68 PolarHBondContact O-N 3.06Å; L66-C68 PolarHBondContact O-N 2.92Å; C68-C124 HydrophobicContact CB-CB 3.79Å
69	G	79.3	Confident	82.7	Confident	6 Å²	6	39.5 Å²	39.5	6%	0.062	20%	0.199	C	C	.	.			trans	-76.2	-151.5	173.8	0	0	0	0	0	112.9	S125 I128	G69-S125 WeakPolarHBondContact CA-O 3.09Å; G69-S125 WeakPolarHBondContact CA-OG 3.19Å; G69-S125 PolarHBondContact N-O 2.76Å; G69-I128 WeakPolarHBondContact CA-O 3.3Å
70	M	75.1	Confident	82.8	Confident	25 Å²	25	41.7 Å²	41.7	12%	0.123	21%	0.208	C	C	.	.			trans	-65.6	147.5	-179.6	-55	-50.7	-56	0	0	111.5	M72 C124 S125 R129 I130 R136	M70-M72 PolarHBondContact O-N 2.82Å; M70-C124 CarbonylContact O-C 3.15Å; M70-C124 WeakPolarHBondContact O-CA 3.48Å; M70-S125 PolarHBondContact N-OG 3.42Å; M70-S125 PolarHBondContact O-N 2.77Å; M70-S125 PolarHBondContact O-OG 2.9Å; M70-R129 HydrophobicContact SD-CB 4.43Å; M70-I130 HydrophobicContact CG-CG1 4.42Å; M70-I130 HydrophobicContact SD-CB 4.3Å; M70-I130 PolarHBondContact SD-N 3.11Å; M70-R136 HydrophobicContact CE-CB 4.33Å
71	V	75.1	Confident	83.3	Confident	10 Å²	10	41 Å²	41	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.7	167.1	69.3	0	0	0	0	110.7	V56 A59 E60	V56-V71 HydrophobicContact CG1-CB 4.44Å; V56-V71 HydrophobicContact CG1-CG1 3.4Å; V56-V71 HydrophobicContact CG1-CG2 4.18Å; A59-V71 HydrophobicContact CB-CG2 3.49Å; A59-V71 VanDerWaalsContact CB-CG2 3.49Å; E60-V71 HydrophobicContact CB-CB 4.46Å; E60-V71 HydrophobicContact CB-CG1 4.18Å; E60-V71 WeakPolarHBondContact OE2-CB 3.4Å; E60-V71 WeakPolarHBondContact OE2-CG1 3.38Å; E60-V71 PolarHBondContact OE2-N 3.41Å
72	M	72.1	Confident	83.6	Confident	39 Å²	39	47.1 Å²	47.1	19%	0.192	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-46.4	174	-59.3	-58	-61.2	0	0	110.2	M70 V123 E168	M70-M72 PolarHBondContact O-N 2.82Å; M72-V123 WeakPolarHBondContact CA-O 3.31Å; M72-V123 HydrophobicContact CB-CB 4.42Å; M72-V123 HydrophobicContact CB-CG1 4.15Å; M72-V123 WeakPolarHBondContact CB-O 3.17Å; M72-V123 PolarHBondContact N-O 3.11Å; M72-E168 WeakPolarHBondContact CE-O 3.26Å
73	E	70.6	Confident	83.6	Confident	61 Å²	61	47.5 Å²	47.5	29%	0.285	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.2	-177.4	-53.4	178.8	150.6	0	0	110.9	K75 V122 V123	E73-K75 HydrophobicContact CB-CD 4.49Å; E73-K75 VanDerWaalsContact CD-NZ 3.31Å; E73-K75 IonicContact OE1-NZ 2.69Å; E73-K75 WeakPolarHBondContact OE2-CE 3.34Å; E73-K75 IonicContact OE2-NZ 3.19Å; E73-K75 PolarHBondContact OE2-NZ 3.39Å; E73-V122 CarbonylContact O-C 3.58Å; E73-V122 WeakPolarHBondContact O-CA 3.3Å; E73-V123 HydrophobicContact CB-CB 4.02Å; E73-V123 HydrophobicContact CB-CG2 4.22Å; E73-V123 HydrophobicContact CG-CB 4.45Å; E73-V123 PolarHBondContact N-O 3.21Å; E73-V123 PolarHBondContact O-N 2.86Å
74	A	75.8	Confident	83.3	Confident	14 Å²	14	52 Å²	52	12%	0.116	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.1	162	0	0	0	0	0	107.7	V56 A59	V56-A74 HydrophobicContact CG2-CB 4.21Å; A59-A74 HydrophobicContact CB-CB 3.81Å
75	K	78.8	Confident	83.3	Confident	37 Å²	37	52.4 Å²	52.4	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.8	-177.7	-67.7	-59.9	-169.8	-165.1	0	110.7	E73 F79 F80 G121 V123	E73-K75 HydrophobicContact CB-CD 4.49Å; E73-K75 VanDerWaalsContact CD-NZ 3.31Å; E73-K75 IonicContact OE1-NZ 2.69Å; E73-K75 WeakPolarHBondContact OE2-CE 3.34Å; E73-K75 IonicContact OE2-NZ 3.19Å; E73-K75 PolarHBondContact OE2-NZ 3.39Å; K75-F79 HydrophobicContact CB-CB 3.76Å; K75-F79 HydrophobicContact CB-CD1 4.23Å; K75-F79 HydrophobicContact CB-CG 4.12Å; K75-F79 HydrophobicContact CD-CB 4.3Å; K75-F79 HydrophobicContact CD-CD1 3.86Å; K75-F79 HydrophobicContact CD-CD2 4.04Å; K75-F79 HydrophobicContact CD-CE1 4.16Å; K75-F79 HydrophobicContact CD-CE2 4.33Å; K75-F79 HydrophobicContact CD-CG 3.8Å; K75-F79 HydrophobicContact CD-CZ 4.39Å; K75-F79 HydrophobicContact CG-CB 4.16Å; K75-F79 HydrophobicContact CG-CD1 3.72Å; K75-F79 HydrophobicContact CG-CE1 4.29Å; K75-F79 HydrophobicContact CG-CG 3.94Å; K75-F80 HydrophobicContact CB-CE2 4.18Å; K75-F80 HydrophobicContact CG-CE2 3.84Å; K75-F80 HydrophobicContact CG-CZ 4.38Å; K75-G121 PolarHBondContact N-O 3.23Å; K75-G121 PolarHBondContact O-N 2.98Å; K75-V123 HydrophobicContact CG-CG2 4.35Å
76	K	87.4	Confident	83.3	Confident	85 Å²	85	54.7 Å²	54.7	37%	0.37	29%	0.294	S	S	.	.			trans	-114.6	171	177.2	-62.7	-157.7	-178.2	-162.2	0	110.1	D51 W54 A78 F79	D51-K76 HydrophobicContact CB-CB 4.09Å; D51-K76 HydrophobicContact CB-CD 4.31Å; D51-K76 HydrophobicContact CB-CG 3.99Å; D51-K76 WeakPolarHBondContact OD2-CA 3.39Å; D51-K76 VanDerWaalsContact OD2-CB 3.23Å; D51-K76 WeakPolarHBondContact OD2-CB 3.3Å; W54-K76 WeakPolarHBondContact O-CE 3.48Å; W54-K76 PolarHBondContact O-NZ 3.43Å; K76-A78 PolarHBondContact O-N 3.39Å; K76-F79 PolarHBondContact O-N 3.11Å
77	S	88	Confident	83.6	Confident	86 Å²	86	53.3 Å²	53.3	60%	0.601	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	46.9	169.3	-45.5	0	0	0	0	113.2	D51 F79 S117	D51-S77 WeakPolarHBondContact OD2-CA 3.27Å; D51-S77 PolarHBondContact OD2-N 3.22Å; S77-F79 PolarHBondContact O-N 3.12Å; S77-F79 VanDerWaalsContact O-N 3.13Å; S77-S117 CarbonylContact C-O 3.5Å; S77-S117 WeakPolarHBondContact CA-O 3.22Å
78	A	88.6	Confident	84.1	Confident	14 Å²	14	50.5 Å²	50.5	12%	0.116	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.1	177.4	0	0	0	0	0	114	K76 F80 G81 E82 H116 S117 D119	K76-A78 PolarHBondContact O-N 3.39Å; A78-F80 PolarHBondContact O-N 2.81Å; A78-G81 CarbonylContact O-C 3.51Å; A78-G81 VanDerWaalsContact O-CA 3.29Å; A78-G81 WeakPolarHBondContact O-CA 3.34Å; A78-G81 PolarHBondContact O-N 2.71Å; A78-E82 HydrophobicContact CB-CG 3.84Å; A78-H116 VanDerWaalsContact CB-O 3.27Å; A78-H116 WeakPolarHBondContact CB-O 3.49Å; A78-S117 WeakPolarHBondContact CB-O 3.33Å; A78-S117 PolarHBondContact N-O 2.97Å; A78-D119 WeakPolarHBondContact CA-O 3.37Å; A78-D119 HydrophobicContact CB-CB 4.43Å; A78-D119 PolarHBondContact N-O 2.86Å; A78-D119 VanDerWaalsContact N-O 3.12Å
79	F	87.1	Confident	84.5	Confident	123 Å²	123	50.2 Å²	50.2	54%	0.539	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-36	-176.4	-179.1	-94	0	0	0	114.2	K75 K76 S77 G81	K75-F79 HydrophobicContact CB-CB 3.76Å; K75-F79 HydrophobicContact CB-CD1 4.23Å; K75-F79 HydrophobicContact CB-CG 4.12Å; K75-F79 HydrophobicContact CD-CB 4.3Å; K75-F79 HydrophobicContact CD-CD1 3.86Å; K75-F79 HydrophobicContact CD-CD2 4.04Å; K75-F79 HydrophobicContact CD-CE1 4.16Å; K75-F79 HydrophobicContact CD-CE2 4.33Å; K75-F79 HydrophobicContact CD-CG 3.8Å; K75-F79 HydrophobicContact CD-CZ 4.39Å; K75-F79 HydrophobicContact CG-CB 4.16Å; K75-F79 HydrophobicContact CG-CD1 3.72Å; K75-F79 HydrophobicContact CG-CE1 4.29Å; K75-F79 HydrophobicContact CG-CG 3.94Å; K76-F79 PolarHBondContact O-N 3.11Å; S77-F79 PolarHBondContact O-N 3.12Å; S77-F79 VanDerWaalsContact O-N 3.13Å; F79-G81 VanDerWaalsContact C-N 3.27Å; F79-G81 PolarHBondContact O-N 2.74Å
80	F	87.3	Confident	85.2	Confident	45 Å²	45	50 Å²	50	20%	0.197	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	18.4	177.7	-67.9	-69.2	0	0	0	113.7	P31 A35 R37 K75 A78 V123	P31-F80 HydrophobicContact CG-CD1 4.35Å; P31-F80 HydrophobicContact CG-CE1 3.89Å; A35-F80 HydrophobicContact CB-CZ 4.42Å; R37-F80 HydrophobicContact CB-CB 4.1Å; K75-F80 HydrophobicContact CB-CE2 4.18Å; K75-F80 HydrophobicContact CG-CE2 3.84Å; K75-F80 HydrophobicContact CG-CZ 4.38Å; A78-F80 PolarHBondContact O-N 2.81Å; F80-V123 HydrophobicContact CE2-CG2 4.24Å; F80-V123 HydrophobicContact CZ-CG2 3.73Å
81	G	89.3	Confident	85.9	Confident	34 Å²	34	50.2 Å²	50.2	35%	0.351	27%	0.267	S	S	.	.			trans	88.2	155.2	-170.4	0	0	0	0	0	112	R37 A78 F79	R37-G81 PolarHBondContact NH1-O 3.13Å; A78-G81 CarbonylContact O-C 3.51Å; A78-G81 VanDerWaalsContact O-CA 3.29Å; A78-G81 WeakPolarHBondContact O-CA 3.34Å; A78-G81 PolarHBondContact O-N 2.71Å; F79-G81 VanDerWaalsContact C-N 3.27Å; F79-G81 PolarHBondContact O-N 2.74Å
82	E	92.7	Very high	86.6	Confident	128 Å²	128	49.8 Å²	49.8	60%	0.598	26%	0.264	S	S	*	.			trans	-66.1	139.9	174.3	-63.4	-177.7	-170.2	0	0	110.4	R37 A78 H116	R37-E82 PolarHBondContact NH1-O 2.8Å; A78-E82 HydrophobicContact CB-CG 3.84Å; E82-H116 HydrophobicContact CB-CB 3.92Å; E82-H116 HydrophobicContact CG-CB 4.33Å
83	G	89.6	Confident	87.3	Confident	7 Å²	7	52.5 Å²	52.5	7%	0.072	28%	0.277	C	S	.	.			trans	-79	-171.9	171.5	0	0	0	0	0	112.4	H116 D119	G83-H116 PolarHBondContact O-CD2 2.83Å; G83-D119 VanDerWaalsContact CA-OD2 3.26Å; G83-D119 WeakPolarHBondContact CA-OD2 3.48Å; G83-D119 PolarHBondContact N-OD2 3.2Å
84	T	81.1	Confident	88	Confident	94 Å²	94	50.3 Å²	50.3	58%	0.577	27%	0.268	S	S	*	.			trans	-140.2	146	-179.1	59.4	0	0	0	0	108.2
85	N	84.9	Confident	88.1	Confident	108 Å²	108	55 Å²	55	58%	0.578	29%	0.291	S	S	*	.	S	Bend	trans	87.5	-145.8	179.9	-43.5	-61.4	0	0	0	113.6	V45 H116	V45-N85 HydrophobicContact CG1-CB 4.37Å; N85-H116 PolarHBondContact O-CE1 3.31Å; N85-H116 VanDerWaalsContact O-CE1 3.26Å; N85-H116 PolarHBondContact O-NE2 2.97Å
86	E	90.6	Very high	87.8	Confident	102 Å²	102	53.8 Å²	53.8	48%	0.477	29%	0.289	S	S	.	.			trans	-78.4	150	-173.9	-65.9	-64.6	151.6	0	0	111.8	G47 T48 W88	G47-E86 CarbonylContact C-O 3.55Å; G47-E86 WeakPolarHBondContact CA-O 3.45Å; T48-E86 PolarHBondContact N-O 2.62Å; E86-W88 HydrophobicContact CB-CD2 4.16Å; E86-W88 HydrophobicContact CB-CE3 4.34Å; E86-W88 HydrophobicContact CB-CH2 4.05Å; E86-W88 HydrophobicContact CB-CZ2 3.9Å; E86-W88 HydrophobicContact CB-CZ3 4.28Å; E86-W88 HydrophobicContact CG-CH2 3.95Å; E86-W88 HydrophobicContact CG-CZ2 4.07Å; E86-W88 HydrophobicContact CG-CZ3 4.44Å
87	I	93.4	Very high	87.3	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.2	165.7	-60.5	166.9	0	0	0	106.7	T48 C50 N112 C114	T48-I87 CarbonylContact O-C 3.59Å; T48-I87 WeakPolarHBondContact OG1-CG1 3.24Å; C50-I87 HydrophobicContact CB-CG2 3.99Å; I87-N112 HydrophobicContact CG2-CB 4.25Å; I87-N112 PolarHBondContact O-ND2 3.05Å; I87-C114 HydrophobicContact CD1-CB 4.01Å; I87-C114 WeakPolarHBondContact CD1-O 3.46Å
88	W	94.4	Very high	87.3	Confident	25 Å²	25	55.5 Å²	55.5	10%	0.095	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-35.9	-169.2	-79.6	136.6	0	0	0	113.9	H42 V45 G47 T48 E86 F109 G110	H42-W88 HydrophobicContact CB-CD2 4.06Å; H42-W88 HydrophobicContact CB-CG 4.11Å; H42-W88 AromaticContact ND1-CD2 3.99Å; H42-W88 AromaticContact ND1-CE3 3.77Å; H42-W88 AromaticContact ND1-CZ3 3.86Å; H42-W88 WeakPolarHBondContact O-CZ2 3.48Å; V45-W88 HydrophobicContact CB-CZ2 4.44Å; V45-W88 PolarHBondContact O-NE1 3.49Å; G47-W88 VanDerWaalsContact N-CD1 3.34Å; T48-W88 PolarHBondContact O-N 2.67Å; E86-W88 HydrophobicContact CB-CD2 4.16Å; E86-W88 HydrophobicContact CB-CE3 4.34Å; E86-W88 HydrophobicContact CB-CH2 4.05Å; E86-W88 HydrophobicContact CB-CZ2 3.9Å; E86-W88 HydrophobicContact CB-CZ3 4.28Å; E86-W88 HydrophobicContact CG-CH2 3.95Å; E86-W88 HydrophobicContact CG-CZ2 4.07Å; E86-W88 HydrophobicContact CG-CZ3 4.44Å; W88-F109 HydrophobicContact CB-CD1 4.19Å; W88-F109 HydrophobicContact CE3-CB 4.47Å; W88-F109 VanDerWaalsContact O-CA 3.3Å; W88-F109 WeakPolarHBondContact O-CA 3.45Å; W88-G110 PolarHBondContact O-N 3.37Å
89	L	93.9	Very high	87.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.6	-177.7	-67	-169.9	0	0	0	111	I40 V49 C50 V92 I101 H106 F109	I40-L89 HydrophobicContact CD1-CD1 3.19Å; I40-L89 HydrophobicContact CD1-CG 3.72Å; V49-L89 HydrophobicContact CB-CB 4.47Å; V49-L89 HydrophobicContact CG1-CB 3.95Å; V49-L89 HydrophobicContact CG2-CB 4.22Å; V49-L89 HydrophobicContact CG2-CD1 4.47Å; C50-L89 PolarHBondContact N-O 2.68Å; L89-V92 HydrophobicContact CB-CG2 3.63Å; L89-V92 HydrophobicContact CD1-CG2 4.11Å; L89-V92 HydrophobicContact CG-CG2 4.48Å; L89-I101 HydrophobicContact CD1-CG1 4.2Å; L89-I101 HydrophobicContact CD1-CG2 4.35Å; L89-H106 HydrophobicContact CD2-CB 4.49Å; L89-F109 HydrophobicContact CD2-CD1 3.78Å; L89-F109 HydrophobicContact CD2-CE1 3.44Å; L89-F109 VanDerWaalsContact CD2-CE1 3.44Å; L89-F109 HydrophobicContact CD2-CE2 4.43Å; L89-F109 HydrophobicContact CD2-CG 4.4Å; L89-F109 HydrophobicContact CD2-CZ 3.8Å; L89-F109 HydrophobicContact CG-CE1 4.21Å
90	D	93.4	Very high	87.1	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.287	C	S	.	.			trans	-145.8	151.3	179.7	-176.1	24.2	0	0	0	109.7	C50 D52 V92 K107 N112 N113	C50-D90 HydrophobicContact CB-CB 4.29Å; D52-D90 WeakPolarHBondContact CB-OD1 3.26Å; D90-V92 VanDerWaalsContact C-N 3.26Å; D90-V92 PolarHBondContact O-N 3.44Å; D90-K107 HydrophobicContact CB-CB 4.4Å; D90-K107 HydrophobicContact CB-CD 4.04Å; D90-K107 PolarHBondContact O-N 3.4Å; D90-K107 WeakPolarHBondContact OD2-CD 3.33Å; D90-K107 IonicContact OD2-NZ 3.1Å; D90-K107 PolarHBondContact OD2-NZ 2.88Å; D90-N112 HydrophobicContact CB-CB 3.63Å; D90-N112 VanDerWaalsContact OD2-CA 3.26Å; D90-N112 WeakPolarHBondContact OD2-CA 3.35Å; D90-N113 PolarHBondContact OD2-N 3.27Å; D90-N113 PolarHBondContact OD2-OD1 2.81Å
91	D	90.4	Very high	87.2	Confident	30 Å²	30	52 Å²	52	16%	0.16	28%	0.278	C	S	.	.	S	Bend	trans	48.3	45.1	-172.1	-71.1	-31.9	0	0	0	113	H53 Q93 K107	H53-D91 IonicContact CE1-OD1 3.96Å; H53-D91 PolarHBondContact CE1-OD1 3.47Å; H53-D91 IonicContact CG-OD1 3.08Å; H53-D91 IonicContact ND1-OD1 3.38Å; H53-D91 PolarHBondContact ND1-OD1 2.77Å; D91-Q93 PolarHBondContact O-N 3.22Å; D91-K107 HydrophobicContact CB-CD 4.37Å; D91-K107 HydrophobicContact CB-CG 4.42Å; D91-K107 WeakPolarHBondContact OD2-CE 3.39Å; D91-K107 IonicContact OD2-NZ 2.89Å; D91-K107 PolarHBondContact OD2-NZ 2.8Å
92	V	88.7	Confident	87.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.			trans	-71.6	119.3	-177.2	-168.4	0	0	0	0	109.3	V49 W54 N58 L89 D90 I101 C104 E105 H106	V49-V92 HydrophobicContact CG1-CG2 3.89Å; W54-V92 HydrophobicContact CE3-CB 4.34Å; W54-V92 HydrophobicContact CZ3-CB 4.24Å; W54-V92 HydrophobicContact CZ3-CG1 4.45Å; W54-V92 HydrophobicContact CZ3-CG2 4.44Å; N58-V92 VanDerWaalsContact CG-O 3.27Å; N58-V92 PolarHBondContact ND2-O 2.78Å; N58-V92 PolarHBondContact OD1-O 3.06Å; L89-V92 HydrophobicContact CB-CG2 3.63Å; L89-V92 HydrophobicContact CD1-CG2 4.11Å; L89-V92 HydrophobicContact CG-CG2 4.48Å; D90-V92 VanDerWaalsContact C-N 3.26Å; D90-V92 PolarHBondContact O-N 3.44Å; V92-I101 HydrophobicContact CG1-CD1 3.96Å; V92-I101 HydrophobicContact CG1-CG1 4.01Å; V92-C104 HydrophobicContact CG1-CB 3.87Å; V92-E105 CarbonylContact C-O 3.52Å; V92-E105 WeakPolarHBondContact CA-O 2.82Å; V92-H106 HydrophobicContact CG2-CB 4.15Å
93	Q	87.5	Confident	87	Confident	96 Å²	96	53.1 Å²	53.1	45%	0.449	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-125.9	101.4	-179.2	-68.1	-179.5	64	0	0	110	H53 D91 E105	H53-Q93 HydrophobicContact CB-CG 4.04Å; D91-Q93 PolarHBondContact O-N 3.22Å; Q93-E105 HydrophobicContact CB-CB 4.46Å; Q93-E105 PolarHBondContact N-O 3.4Å; Q93-E105 PolarHBondContact O-N 3.18Å
94	C	84.4	Confident	87	Confident	15 Å²	15	53.1 Å²	53.1	10%	0.101	27%	0.274	C	S	.	.			trans	-102.3	148.7	177.6	-57.7	0	0	0	0	110.1	A57 N58 V61 G96 E98 C104	A57-C94 VanDerWaalsContact CB-O 3.25Å; A57-C94 WeakPolarHBondContact CB-O 3.49Å; N58-C94 WeakPolarHBondContact ND2-CB 3.37Å; N58-C94 PolarHBondContact ND2-N 2.85Å; N58-C94 PolarHBondContact ND2-SG 3.25Å; V61-C94 HydrophobicContact CG2-CB 3.82Å; C94-G96 VanDerWaalsContact C-N 3.31Å; C94-E98 WeakPolarHBondContact CA-OE1 3.44Å; C94-E98 WeakPolarHBondContact CB-OE2 3.29Å; C94-C104 HydrophobicContact CB-CB 3.97Å; C94-C104 WeakPolarHBondContact CB-SG 3.47Å; C94-C104 WeakPolarHBondContact SG-CB 3.31Å; C94-C104 CovalentContact SG-SG 2.02Å; C94-C104 PolarHBondContact SG-SG 2.87Å
95	N	78.9	Confident	87.5	Confident	114 Å²	114	55.6 Å²	55.6	61%	0.61	28%	0.279	S	S	*	.			trans	-86.9	-1.5	166.6	67.7	40.7	0	0	0	113.1	K97 E98	N95-K97 VanDerWaalsContact OD1-CB 3.31Å; N95-K97 WeakPolarHBondContact OD1-CB 3.36Å; N95-K97 PolarHBondContact OD1-N 2.95Å; N95-E98 PolarHBondContact N-OE1 3.21Å; N95-E98 PolarHBondContact N-OE2 2.84Å; N95-E98 PolarHBondContact ND2-OE1 3.47Å; N95-E98 VanDerWaalsContact ND2-OE1 3.11Å; N95-E98 VanDerWaalsContact OD1-CD 3.27Å; N95-E98 PolarHBondContact OD1-OE1 3.42Å; N95-E98 VanDerWaalsContact OD1-OE1 3.13Å; N95-E98 PolarHBondContact OD1-OE2 2.97Å; N95-E98 VanDerWaalsContact OD1-OE2 3.12Å
96	G	73.2	Confident	87.9	Confident	11 Å²	11	52.6 Å²	52.6	11%	0.113	26%	0.261	C	S	.	.	S	Bend	trans	88.8	-2.6	177.1	0	0	0	0	0	114.3	R64 C94 E98	R64-G96 VanDerWaalsContact CZ-O 3.31Å; R64-G96 PolarHBondContact NH1-O 2.96Å; R64-G96 PolarHBondContact NH2-O 2.69Å; C94-G96 VanDerWaalsContact C-N 3.31Å; G96-E98 PolarHBondContact N-OE2 2.62Å
97	K	75.4	Confident	87.9	Confident	178 Å²	178	50.5 Å²	50.5	77%	0.774	25%	0.25	S	S	*	.			trans	-110.6	-2.7	-178.3	-59.7	179.1	-178.4	171.9	0	113.8	R64 N95	R64-K97 VanDerWaalsContact NH2-CA 3.31Å; R64-K97 PolarHBondContact NH2-O 2.93Å; N95-K97 VanDerWaalsContact OD1-CB 3.31Å; N95-K97 WeakPolarHBondContact OD1-CB 3.36Å; N95-K97 PolarHBondContact OD1-N 2.95Å
98	E	88.3	Confident	87.8	Confident	28 Å²	28	54.4 Å²	54.4	13%	0.131	28%	0.276	C	S	.	.			trans	-64.5	140.6	-178.3	-64	81.9	178.2	0	0	112.5	V61 R64 C94 N95 G96 S100	V61-E98 HydrophobicContact CG1-CB 4.21Å; V61-E98 HydrophobicContact CG2-CB 4.01Å; V61-E98 WeakPolarHBondContact CG2-OE2 3.05Å; R64-E98 PolarHBondContact NH2-O 3.28Å; C94-E98 WeakPolarHBondContact CA-OE1 3.44Å; C94-E98 WeakPolarHBondContact CB-OE2 3.29Å; N95-E98 PolarHBondContact N-OE1 3.21Å; N95-E98 PolarHBondContact N-OE2 2.84Å; N95-E98 PolarHBondContact ND2-OE1 3.47Å; N95-E98 VanDerWaalsContact ND2-OE1 3.11Å; N95-E98 VanDerWaalsContact OD1-CD 3.27Å; N95-E98 PolarHBondContact OD1-OE1 3.42Å; N95-E98 VanDerWaalsContact OD1-OE1 3.13Å; N95-E98 PolarHBondContact OD1-OE2 2.97Å; N95-E98 VanDerWaalsContact OD1-OE2 3.12Å; G96-E98 PolarHBondContact N-OE2 2.62Å; E98-S100 PolarHBondContact O-N 3.01Å
99	T	83.8	Confident	87.7	Confident	96 Å²	96	56.5 Å²	56.5	59%	0.589	29%	0.286	S	S	*	.	S	Bend	trans	-70.8	-15.4	-179.8	53.4	0	0	0	0	114.7	K103	T99-K103 VanDerWaalsContact OG1-CD 3.28Å; T99-K103 WeakPolarHBondContact OG1-CD 3.35Å; T99-K103 WeakPolarHBondContact OG1-CE 3.35Å; T99-K103 PolarHBondContact OG1-NZ 3.01Å
100	S	87.9	Confident	87.4	Confident	13 Å²	13	57.5 Å²	57.5	9%	0.091	30%	0.297	C	S	.	.	S	Bend	trans	-158.4	149.7	177.5	170.9	0	0	0	0	109.3	E65 E98 T102 K103	E65-S100 VanDerWaalsContact OE1-CB 3.23Å; E65-S100 WeakPolarHBondContact OE1-CB 3.31Å; E65-S100 PolarHBondContact OE1-OG 3.29Å; E65-S100 WeakPolarHBondContact OE2-CA 3.03Å; E65-S100 PolarHBondContact OE2-OG 2.94Å; E98-S100 PolarHBondContact O-N 3.01Å; S100-T102 PolarHBondContact O-N 3.42Å; S100-T102 PolarHBondContact OG-N 2.87Å; S100-T102 PolarHBondContact OG-OG1 3.41Å; S100-K103 PolarHBondContact O-N 2.02Å
101	I	89.3	Confident	87.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-58.9	-31.4	177.9	-168	89.6	0	0	0	111.6	I26 I40 W54 N58 V61 V62 E65 L89 V92 K103 C104	I26-I101 HydrophobicContact CD1-CG2 3.84Å; I40-I101 HydrophobicContact CD1-CG2 3.54Å; I40-I101 HydrophobicContact CG1-CG2 4.27Å; W54-I101 HydrophobicContact CH2-CD1 3.67Å; W54-I101 HydrophobicContact CH2-CG1 4.46Å; W54-I101 HydrophobicContact CZ3-CD1 3.76Å; W54-I101 HydrophobicContact CZ3-CG1 4.45Å; N58-I101 HydrophobicContact CB-CD1 4.13Å; V61-I101 HydrophobicContact CG1-CB 4.3Å; V61-I101 VanDerWaalsContact CG1-N 3.28Å; V62-I101 HydrophobicContact CG2-CB 4.31Å; V62-I101 HydrophobicContact CG2-CD1 3.61Å; V62-I101 HydrophobicContact CG2-CG1 4.27Å; E65-I101 PolarHBondContact OE2-N 3.44Å; L89-I101 HydrophobicContact CD1-CG1 4.2Å; L89-I101 HydrophobicContact CD1-CG2 4.35Å; V92-I101 HydrophobicContact CG1-CD1 3.96Å; V92-I101 HydrophobicContact CG1-CG1 4.01Å; I101-K103 PolarHBondContact O-N 2.81Å; I101-K103 VanDerWaalsContact O-N 3.15Å; I101-C104 WeakPolarHBondContact O-CB 3.41Å; I101-C104 PolarHBondContact O-N 3.35Å
102	T	89.1	Confident	87.4	Confident	45 Å²	45	63.5 Å²	63.5	28%	0.276	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-71.8	-3.3	178.4	60.8	0	0	0	0	114.3	I40 S100 H106 F109	I40-T102 HydrophobicContact CD1-CG2 4.4Å; I40-T102 HydrophobicContact CG2-CG2 4.12Å; S100-T102 PolarHBondContact O-N 3.42Å; S100-T102 PolarHBondContact OG-N 2.87Å; S100-T102 PolarHBondContact OG-OG1 3.41Å; T102-H106 PolarHBondContact O-NE2 3.44Å; T102-F109 HydrophobicContact CG2-CE1 4.35Å; T102-F109 HydrophobicContact CG2-CZ 3.96Å
103	K	89.6	Confident	87.5	Confident	141 Å²	141	68.5 Å²	68.5	61%	0.613	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-105.9	-3.2	174.9	-65.2	-177.3	-176.7	175.9	0	113	T99 S100 I101	T99-K103 VanDerWaalsContact OG1-CD 3.28Å; T99-K103 WeakPolarHBondContact OG1-CD 3.35Å; T99-K103 WeakPolarHBondContact OG1-CE 3.35Å; T99-K103 PolarHBondContact OG1-NZ 3.01Å; S100-K103 PolarHBondContact O-N 2.02Å; I101-K103 PolarHBondContact O-N 2.81Å; I101-K103 VanDerWaalsContact O-N 3.15Å
104	C	88.8	Confident	87.6	Confident	7 Å²	7	64.7 Å²	64.7	5%	0.047	34%	0.339	C	S	.	.	S	Bend	trans	-70.3	161.8	171	-58.2	0	0	0	0	109.9	V92 C94 I101 H106	V92-C104 HydrophobicContact CG1-CB 3.87Å; C94-C104 HydrophobicContact CB-CB 3.97Å; C94-C104 WeakPolarHBondContact CB-SG 3.47Å; C94-C104 WeakPolarHBondContact SG-CB 3.31Å; C94-C104 CovalentContact SG-SG 2.02Å; C94-C104 PolarHBondContact SG-SG 2.87Å; I101-C104 WeakPolarHBondContact O-CB 3.41Å; I101-C104 PolarHBondContact O-N 3.35Å; C104-H106 PolarHBondContact O-CD2 3Å; C104-H106 PolarHBondContact O-N 2.77Å
105	E	91.8	Very high	88	Confident	146 Å²	146	65.5 Å²	65.5	68%	0.682	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-65.6	129.8	169.5	-174.4	171.9	177.8	0	0	108.4	V92 Q93	V92-E105 CarbonylContact C-O 3.52Å; V92-E105 WeakPolarHBondContact CA-O 2.82Å; Q93-E105 HydrophobicContact CB-CB 4.46Å; Q93-E105 PolarHBondContact N-O 3.4Å; Q93-E105 PolarHBondContact O-N 3.18Å
106	H	93.2	Very high	88.7	Confident	44 Å²	44	62.1 Å²	62.1	20%	0.204	33%	0.329	C	S	.	.			trans	-159.6	160.4	-179.6	61.4	73.6	0	0	0	109.7	L89 V92 T102 C104 F109	L89-H106 HydrophobicContact CD2-CB 4.49Å; V92-H106 HydrophobicContact CG2-CB 4.15Å; T102-H106 PolarHBondContact O-NE2 3.44Å; C104-H106 PolarHBondContact O-CD2 3Å; C104-H106 PolarHBondContact O-N 2.77Å; H106-F109 AromaticContact CE1-CD2 4Å; H106-F109 AromaticContact CE1-CE2 3.58Å; H106-F109 AromaticContact NE2-CE2 3.99Å
107	K	90.7	Very high	89.6	Confident	59 Å²	59	64.5 Å²	64.5	26%	0.257	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-61.6	155.1	170.6	-80.8	166.8	172.3	151	0	111.3	D90 D91 F109 N113	D90-K107 HydrophobicContact CB-CB 4.4Å; D90-K107 HydrophobicContact CB-CD 4.04Å; D90-K107 PolarHBondContact O-N 3.4Å; D90-K107 WeakPolarHBondContact OD2-CD 3.33Å; D90-K107 IonicContact OD2-NZ 3.1Å; D90-K107 PolarHBondContact OD2-NZ 2.88Å; D91-K107 HydrophobicContact CB-CD 4.37Å; D91-K107 HydrophobicContact CB-CG 4.42Å; D91-K107 WeakPolarHBondContact OD2-CE 3.39Å; D91-K107 IonicContact OD2-NZ 2.89Å; D91-K107 PolarHBondContact OD2-NZ 2.8Å; K107-F109 PolarHBondContact O-N 2.76Å; K107-N113 PolarHBondContact NZ-OD1 2.89Å
108	P	92.1	Very high	90.5	Very high	93 Å²	93	59 Å²	59	60%	0.604	32%	0.322	S	S	*	.	S	Bend	trans	-52.3	142.8	176.1	-26	34.7	0	0	0	112.6	G110 I111	P108-G110 PolarHBondContact O-N 3.46Å; P108-I111 HydrophobicContact CB-CG1 4.2Å; P108-I111 WeakPolarHBondContact O-CB 3.45Å; P108-I111 PolarHBondContact O-N 2.59Å
109	F	91.2	Very high	90.8	Very high	68 Å²	68	57.7 Å²	57.7	30%	0.298	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	127.8	-175.7	-79	-89.9	0	0	0	113.2	H42 W88 L89 T102 H106 K107 I111	H42-F109 HydrophobicContact CB-CD1 4.35Å; H42-F109 AromaticContact CD2-CD1 3.89Å; H42-F109 AromaticContact CE1-CG 3.9Å; H42-F109 AromaticContact CG-CD1 3.84Å; H42-F109 AromaticContact NE2-CG 3.88Å; W88-F109 HydrophobicContact CB-CD1 4.19Å; W88-F109 HydrophobicContact CE3-CB 4.47Å; W88-F109 VanDerWaalsContact O-CA 3.3Å; W88-F109 WeakPolarHBondContact O-CA 3.45Å; L89-F109 HydrophobicContact CD2-CD1 3.78Å; L89-F109 HydrophobicContact CD2-CE1 3.44Å; L89-F109 VanDerWaalsContact CD2-CE1 3.44Å; L89-F109 HydrophobicContact CD2-CE2 4.43Å; L89-F109 HydrophobicContact CD2-CG 4.4Å; L89-F109 HydrophobicContact CD2-CZ 3.8Å; L89-F109 HydrophobicContact CG-CE1 4.21Å; T102-F109 HydrophobicContact CG2-CE1 4.35Å; T102-F109 HydrophobicContact CG2-CZ 3.96Å; H106-F109 AromaticContact CE1-CD2 4Å; H106-F109 AromaticContact CE1-CE2 3.58Å; H106-F109 AromaticContact NE2-CE2 3.99Å; K107-F109 PolarHBondContact O-N 2.76Å; F109-I111 VanDerWaalsContact C-N 3.25Å; F109-I111 PolarHBondContact O-N 3.29Å
110	G	88.1	Confident	91.3	Very high	22 Å²	22	53.1 Å²	53.1	23%	0.227	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	1.1	178.3	0	0	0	0	0	114.8	W88 P108	W88-G110 PolarHBondContact O-N 3.37Å; P108-G110 PolarHBondContact O-N 3.46Å
111	I	91.9	Very high	91.4	Very high	107 Å²	107	52.6 Å²	52.6	55%	0.549	28%	0.284	S	S	.	.			trans	-95.5	108.8	168.5	-55.7	-59.4	0	0	0	107.8	P108 F109	P108-I111 HydrophobicContact CB-CG1 4.2Å; P108-I111 WeakPolarHBondContact O-CB 3.45Å; P108-I111 PolarHBondContact O-N 2.59Å; F109-I111 VanDerWaalsContact C-N 3.25Å; F109-I111 PolarHBondContact O-N 3.29Å
112	N	90.7	Very high	91.4	Very high	50 Å²	50	52.6 Å²	52.6	27%	0.267	28%	0.284	S	S	.	.			trans	-145.8	161.5	178.6	67.1	81.9	0	0	0	110.7	I87 D90 C114	I87-N112 HydrophobicContact CG2-CB 4.25Å; I87-N112 PolarHBondContact O-ND2 3.05Å; D90-N112 HydrophobicContact CB-CB 3.63Å; D90-N112 VanDerWaalsContact OD2-CA 3.26Å; D90-N112 WeakPolarHBondContact OD2-CA 3.35Å; N112-C114 PolarHBondContact OD1-N 3.5Å; N112-C114 PolarHBondContact OD1-O 3.01Å
113	N	91	Very high	91	Very high	105 Å²	105	52 Å²	52	56%	0.561	28%	0.28	S	S	*	.			trans	-111.8	20.8	170.3	53.6	-90	0	0	0	112.6	D52 D90 K107	D52-N113 PolarHBondContact OD2-ND2 3.42Å; D90-N113 PolarHBondContact OD2-N 3.27Å; D90-N113 PolarHBondContact OD2-OD1 2.81Å; K107-N113 PolarHBondContact NZ-OD1 2.89Å
114	C	90.4	Very high	90.7	Very high	17 Å²	17	45.6 Å²	45.6	12%	0.115	25%	0.253	C	S	.	.			trans	-105.1	155.3	-167.5	-51	0	0	0	0	112.9	C50 I87 N112 E118	C50-C114 HydrophobicContact CB-CB 3.75Å; C50-C114 WeakPolarHBondContact CB-SG 3.07Å; C50-C114 WeakPolarHBondContact SG-CB 3.45Å; C50-C114 CovalentContact SG-SG 2.02Å; C50-C114 PolarHBondContact SG-SG 2.82Å; I87-C114 HydrophobicContact CD1-CB 4.01Å; I87-C114 WeakPolarHBondContact CD1-O 3.46Å; N112-C114 PolarHBondContact OD1-N 3.5Å; N112-C114 PolarHBondContact OD1-O 3.01Å; C114-E118 WeakPolarHBondContact CA-OE2 3.44Å; C114-E118 HydrophobicContact CB-CB 4.18Å
115	G	92	Very high	90.3	Very high	31 Å²	31	45.6 Å²	45.6	32%	0.32	25%	0.253	S	S	.	.			trans	-99.8	166.5	162.7	0	0	0	0	0	111.8	S117 E118	G115-S117 PolarHBondContact O-N 3.26Å; G115-S117 VanDerWaalsContact O-N 3.11Å; G115-E118 PolarHBondContact N-OE2 2.98Å; G115-E118 WeakPolarHBondContact O-CB 3.02Å; G115-E118 PolarHBondContact O-N 2.88Å
116	H	94.4	Very high	89.8	Confident	43 Å²	43	41.5 Å²	41.5	20%	0.199	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.4	-14.3	175.7	-75.5	-55	0	0	0	114.1	T48 A78 E82 G83 N85 E118 D119	T48-H116 PolarHBondContact OG1-CE1 2.87Å; T48-H116 PolarHBondContact OG1-ND1 2.98Å; A78-H116 VanDerWaalsContact CB-O 3.27Å; A78-H116 WeakPolarHBondContact CB-O 3.49Å; E82-H116 HydrophobicContact CB-CB 3.92Å; E82-H116 HydrophobicContact CG-CB 4.33Å; G83-H116 PolarHBondContact O-CD2 2.83Å; N85-H116 PolarHBondContact O-CE1 3.31Å; N85-H116 VanDerWaalsContact O-CE1 3.26Å; N85-H116 PolarHBondContact O-NE2 2.97Å; H116-E118 PolarHBondContact O-N 2.89Å; H116-D119 IonicContact CG-OD2 3.13Å; H116-D119 IonicContact ND1-OD1 2.71Å; H116-D119 PolarHBondContact ND1-OD1 2.87Å; H116-D119 VanDerWaalsContact ND1-OD1 3.16Å; H116-D119 IonicContact ND1-OD2 3.12Å; H116-D119 PolarHBondContact ND1-OD2 2.04Å; H116-D119 VanDerWaalsContact ND1-OD2 3.1Å; H116-D119 WeakPolarHBondContact O-CB 3.03Å; H116-D119 PolarHBondContact O-N 3Å
117	S	92.1	Very high	89.3	Confident	62 Å²	62	42.1 Å²	42.1	43%	0.434	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.2	-14.8	167.2	54	0	0	0	0	113.1	S77 A78 G115	S77-S117 CarbonylContact C-O 3.5Å; S77-S117 WeakPolarHBondContact CA-O 3.22Å; A78-S117 WeakPolarHBondContact CB-O 3.33Å; A78-S117 PolarHBondContact N-O 2.97Å; G115-S117 PolarHBondContact O-N 3.26Å; G115-S117 VanDerWaalsContact O-N 3.11Å
118	E	93.9	Very high	89.1	Confident	62 Å²	62	39.3 Å²	39.3	29%	0.29	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-107.4	17.2	-179.7	-68	166.4	135	0	0	111.1	C50 D51 C114 G115 H116 A120	C50-E118 CarbonylContact C-O 3.59Å; D51-E118 VanDerWaalsContact CB-O 3.28Å; D51-E118 WeakPolarHBondContact CB-O 3.39Å; D51-E118 PolarHBondContact N-O 3.23Å; D51-E118 VanDerWaalsContact OD1-CB 3.29Å; D51-E118 WeakPolarHBondContact OD1-CB 3.36Å; C114-E118 WeakPolarHBondContact CA-OE2 3.44Å; C114-E118 HydrophobicContact CB-CB 4.18Å; G115-E118 PolarHBondContact N-OE2 2.98Å; G115-E118 WeakPolarHBondContact O-CB 3.02Å; G115-E118 PolarHBondContact O-N 2.88Å; H116-E118 PolarHBondContact O-N 2.89Å; E118-A120 PolarHBondContact O-N 3.18Å
119	D	94.3	Very high	88.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-67.9	127.6	178.5	-74.5	-24.1	0	0	0	111.7	R37 T48 A78 G83 H116	R37-D119 HydrophobicContact CG-CB 4.09Å; T48-D119 WeakPolarHBondContact CB-OD1 3.03Å; T48-D119 WeakPolarHBondContact CG2-OD2 3.12Å; T48-D119 PolarHBondContact OG1-OD1 3.32Å; A78-D119 WeakPolarHBondContact CA-O 3.37Å; A78-D119 HydrophobicContact CB-CB 4.43Å; A78-D119 PolarHBondContact N-O 2.86Å; A78-D119 VanDerWaalsContact N-O 3.12Å; G83-D119 VanDerWaalsContact CA-OD2 3.26Å; G83-D119 WeakPolarHBondContact CA-OD2 3.48Å; G83-D119 PolarHBondContact N-OD2 3.2Å; H116-D119 IonicContact CG-OD2 3.13Å; H116-D119 IonicContact ND1-OD1 2.71Å; H116-D119 PolarHBondContact ND1-OD1 2.87Å; H116-D119 VanDerWaalsContact ND1-OD1 3.16Å; H116-D119 IonicContact ND1-OD2 3.12Å; H116-D119 PolarHBondContact ND1-OD2 2.04Å; H116-D119 VanDerWaalsContact ND1-OD2 3.1Å; H116-D119 WeakPolarHBondContact O-CB 3.03Å; H116-D119 PolarHBondContact O-N 3Å
120	A	93.9	Very high	88.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.			trans	-75.2	144	-179.9	0	0	0	0	0	112.7	V38 V49 D51 W54 E118	V38-A120 PolarHBondContact N-O 2.7Å; V49-A120 HydrophobicContact CB-CB 4.28Å; V49-A120 HydrophobicContact CG1-CB 4.3Å; V49-A120 VanDerWaalsContact O-CB 3.32Å; V49-A120 WeakPolarHBondContact O-CB 3.28Å; V49-A120 PolarHBondContact O-N 2.9Å; D51-A120 HydrophobicContact CB-CB 4.18Å; W54-A120 HydrophobicContact CD2-CB 3.56Å; W54-A120 HydrophobicContact CE3-CB 4.02Å; W54-A120 HydrophobicContact CG-CB 3.8Å; W54-A120 HydrophobicContact CH2-CB 4.44Å; W54-A120 HydrophobicContact CZ2-CB 4.03Å; W54-A120 HydrophobicContact CZ3-CB 4.44Å; E118-A120 PolarHBondContact O-N 3.18Å
121	G	90.8	Very high	87.9	Confident	2 Å²	2	35.9 Å²	35.9	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	167.1	176.4	0	0	0	0	0	112.6	G36 W54 K75	G36-G121 VanDerWaalsContact O-CA 3.31Å; G36-G121 WeakPolarHBondContact O-CA 3.5Å; W54-G121 PolarHBondContact NE1-O 2.81Å; W54-G121 VanDerWaalsContact NE1-O 3.15Å; K75-G121 PolarHBondContact N-O 3.23Å; K75-G121 PolarHBondContact O-N 2.98Å
122	V	89.5	Confident	87.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.3	176.4	-57.1	0	0	0	0	111.1	L28 A35 G36 V38 W54 A59 V62 E73	L28-V122 HydrophobicContact CD1-CG2 3.68Å; L28-V122 HydrophobicContact CD2-CG2 3.5Å; L28-V122 HydrophobicContact CG-CG2 4.25Å; A35-V122 VanDerWaalsContact CA-O 3.31Å; A35-V122 WeakPolarHBondContact CA-O 3.46Å; G36-V122 PolarHBondContact N-O 2.92Å; G36-V122 PolarHBondContact O-N 2.86Å; V38-V122 HydrophobicContact CG2-CG1 3.76Å; V38-V122 HydrophobicContact CG2-CG2 4.2Å; W54-V122 HydrophobicContact CZ2-CG1 3.8Å; A59-V122 HydrophobicContact CB-CB 4.25Å; A59-V122 HydrophobicContact CB-CG1 3.5Å; V62-V122 HydrophobicContact CB-CG1 4.23Å; V62-V122 HydrophobicContact CG1-CG1 4.22Å; V62-V122 HydrophobicContact CG1-CG2 3.9Å; V62-V122 HydrophobicContact CG2-CG1 4.5Å; E73-V122 CarbonylContact O-C 3.58Å; E73-V122 WeakPolarHBondContact O-CA 3.3Å
123	V	80.9	Confident	85.9	Confident	31 Å²	31	35.1 Å²	35.1	19%	0.188	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	164.6	-176.5	0	0	0	0	107	A35 M72 E73 K75 F80	A35-V123 HydrophobicContact CB-CG1 4.29Å; A35-V123 HydrophobicContact CB-CG2 4.35Å; M72-V123 WeakPolarHBondContact CA-O 3.31Å; M72-V123 HydrophobicContact CB-CB 4.42Å; M72-V123 HydrophobicContact CB-CG1 4.15Å; M72-V123 WeakPolarHBondContact CB-O 3.17Å; M72-V123 PolarHBondContact N-O 3.11Å; E73-V123 HydrophobicContact CB-CB 4.02Å; E73-V123 HydrophobicContact CB-CG2 4.22Å; E73-V123 HydrophobicContact CG-CB 4.45Å; E73-V123 PolarHBondContact N-O 3.21Å; E73-V123 PolarHBondContact O-N 2.86Å; K75-V123 HydrophobicContact CG-CG2 4.35Å; F80-V123 HydrophobicContact CE2-CG2 4.24Å; F80-V123 HydrophobicContact CZ-CG2 3.73Å
124	C	83.6	Confident	84.4	Confident	7 Å²	7	36.2 Å²	36.2	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	158.7	175	-34.7	0	0	0	0	110	C34 C63 C68 M70 E126	C34-C124 HydrophobicContact CB-CB 4.08Å; C34-C124 PolarHBondContact O-N 3.39Å; C63-C124 WeakPolarHBondContact CA-SG 3.43Å; C63-C124 HydrophobicContact CB-CB 3.75Å; C63-C124 WeakPolarHBondContact CB-SG 3.03Å; C63-C124 WeakPolarHBondContact SG-CB 3.05Å; C63-C124 CovalentContact SG-SG 2.02Å; C63-C124 PolarHBondContact SG-SG 2.87Å; C68-C124 HydrophobicContact CB-CB 3.79Å; M70-C124 CarbonylContact O-C 3.15Å; M70-C124 WeakPolarHBondContact O-CA 3.48Å; C124-E126 PolarHBondContact O-N 2.89Å
125	S	80.8	Confident	83	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.049	22%	0.222	C	C	.	.			trans	-67.3	127.6	170.3	61.4	0	0	0	0	109.4	G69 M70 I128	G69-S125 WeakPolarHBondContact CA-O 3.09Å; G69-S125 WeakPolarHBondContact CA-OG 3.19Å; G69-S125 PolarHBondContact N-O 2.76Å; M70-S125 PolarHBondContact N-OG 3.42Å; M70-S125 PolarHBondContact O-N 2.77Å; M70-S125 PolarHBondContact O-OG 2.9Å; S125-I128 PolarHBondContact OG-O 3.26Å
126	E	80.8	Confident	81.7	Confident	60 Å²	60	40.4 Å²	40.4	28%	0.28	22%	0.222	S	C	.	.	S	Bend	trans	-86.2	-31.2	-173.2	-175	166.8	-178.3	0	0	112.4	S32 R33 C34 C124	S32-E126 WeakPolarHBondContact CB-OE2 3.4Å; S32-E126 PolarHBondContact OG-OE2 2.79Å; R33-E126 HydrophobicContact CG-CG 4.31Å; R33-E126 IonicContact NE-OE1 3.31Å; R33-E126 PolarHBondContact NH2-O 3.47Å; C34-E126 HydrophobicContact CB-CB 4.31Å; C124-E126 PolarHBondContact O-N 2.89Å
127	H	82.8	Confident	80.8	Confident	57 Å²	57	38.5 Å²	38.5	26%	0.264	21%	0.214	S	C	.	.	S	Bend	trans	-113.9	-9.8	-168.7	-58.9	102.7	0	0	0	114.1	L143 F144	H127-L143 CarbonylContact O-C 2.99Å; H127-L143 VanDerWaalsContact O-CA 3.28Å; H127-L143 WeakPolarHBondContact O-CA 3.43Å; H127-L143 WeakPolarHBondContact O-CD1 3.27Å; H127-F144 PolarHBondContact O-N 2.79Å
128	I	85.7	Confident	80.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147	-173.3	-170.4	155.3	0	0	0	112.1	G69 S125 V141 E142 V165 E168 I169 I203	G69-I128 WeakPolarHBondContact CA-O 3.3Å; S125-I128 PolarHBondContact OG-O 3.26Å; I128-V141 HydrophobicContact CD1-CG1 3.51Å; I128-V141 HydrophobicContact CG1-CG1 3.89Å; I128-E142 WeakPolarHBondContact CA-O 3.23Å; I128-V165 HydrophobicContact CD1-CB 4.08Å; I128-V165 HydrophobicContact CD1-CG1 3.56Å; I128-V165 HydrophobicContact CD1-CG2 3.45Å; I128-V165 VanDerWaalsContact CD1-CG2 3.45Å; I128-E168 HydrophobicContact CG2-CG 4.23Å; I128-I169 HydrophobicContact CG2-CG2 4.12Å; I128-I203 HydrophobicContact CB-CG2 4.19Å; I128-I203 HydrophobicContact CD1-CD1 4.45Å; I128-I203 HydrophobicContact CD1-CG2 3.84Å
129	R	84.7	Confident	79.5	Confident	50 Å²	50	33.5 Å²	33.5	19%	0.189	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.4	168.6	70.1	-176.1	-180	-174.4	1.4	111.9	M70 L131 E142 W149	M70-R129 HydrophobicContact SD-CB 4.43Å; R129-L131 HydrophobicContact CG-CD1 4.42Å; R129-L131 HydrophobicContact CG-CG 4.31Å; R129-E142 HydrophobicContact CG-CB 3.91Å; R129-E142 IonicContact CZ-OE2 3.96Å; R129-E142 PolarHBondContact N-O 2.67Å; R129-E142 IonicContact NE-OE2 3.89Å; R129-E142 PolarHBondContact NE-OE2 3.16Å; R129-E142 IonicContact NH2-OE2 3.21Å; R129-E142 PolarHBondContact NH2-OE2 3.35Å; R129-E142 PolarHBondContact O-N 3.1Å; R129-W149 HydrophobicContact CB-CH2 3.81Å; R129-W149 HydrophobicContact CB-CZ3 3.9Å; R129-W149 HydrophobicContact CG-CD2 4.43Å; R129-W149 HydrophobicContact CG-CE3 3.86Å; R129-W149 HydrophobicContact CG-CH2 3.82Å; R129-W149 HydrophobicContact CG-CZ2 4.37Å; R129-W149 HydrophobicContact CG-CZ3 3.53Å
130	I	83.1	Confident	79.2	Confident	12 Å²	12	34.3 Å²	34.3	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.1	-179.3	-50.4	-59.1	0	0	0	109.3	M70 N138 R140 V141 V165 I169 I220	M70-I130 HydrophobicContact CG-CG1 4.42Å; M70-I130 HydrophobicContact SD-CB 4.3Å; M70-I130 PolarHBondContact SD-N 3.11Å; I130-N138 WeakPolarHBondContact CG2-O 3.47Å; I130-R140 CarbonylContact C-O 3.57Å; I130-R140 VanDerWaalsContact CA-O 3.31Å; I130-R140 WeakPolarHBondContact CA-O 3.28Å; I130-V141 HydrophobicContact CD1-CB 4.42Å; I130-V141 HydrophobicContact CD1-CG1 4.43Å; I130-V141 HydrophobicContact CD1-CG2 3.84Å; I130-V165 HydrophobicContact CD1-CG1 4.33Å; I130-I169 HydrophobicContact CD1-CD1 4.31Å; I130-I169 HydrophobicContact CG1-CD1 4.02Å; I130-I220 HydrophobicContact CD1-CG2 3.87Å; I130-I220 HydrophobicContact CG2-CG2 4.42Å
131	L	79.4	Confident	78.9	Confident	50 Å²	50	34.3 Å²	34.3	26%	0.262	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152	-172.6	-63.1	174.8	0	0	0	112.4	R129 G133 R140 E142	R129-L131 HydrophobicContact CG-CD1 4.42Å; R129-L131 HydrophobicContact CG-CG 4.31Å; L131-G133 PolarHBondContact O-N 3.19Å; L131-G133 VanDerWaalsContact O-N 3.07Å; L131-R140 VanDerWaalsContact CD1-NH2 3.3Å; L131-R140 PolarHBondContact N-O 3.21Å; L131-R140 PolarHBondContact O-N 3.2Å; L131-E142 VanDerWaalsContact CD1-CD 3.42Å; L131-E142 HydrophobicContact CD1-CG 4.34Å; L131-E142 VanDerWaalsContact CD1-OE1 3.3Å; L131-E142 WeakPolarHBondContact CD1-OE1 3.43Å; L131-E142 WeakPolarHBondContact CD1-OE2 3.46Å
132	N	74.2	Confident	78.7	Confident	108 Å²	108	34.4 Å²	34.4	58%	0.578	19%	0.187	S	C	*	.	S	Bend	trans	58.6	16.3	173.1	-63.4	-11.8	0	0	0	116	R140 F183	N132-R140 PolarHBondContact ND2-NH1 3.13Å; N132-F183 HydrophobicContact CB-CB 4.1Å; N132-F183 WeakPolarHBondContact CB-O 3.39Å; N132-F183 PolarHBondContact ND2-O 2.86Å; N132-F183 WeakPolarHBondContact O-CD1 3.08Å
133	G	65.6	Low	78.6	Confident	32 Å²	32	34.5 Å²	34.5	33%	0.33	19%	0.188	S	C	.	.			trans	-80.9	170.7	170.9	0	0	0	0	0	113.7	L131 N138	L131-G133 PolarHBondContact O-N 3.19Å; L131-G133 VanDerWaalsContact O-N 3.07Å; G133-N138 VanDerWaalsContact CA-O 3.29Å; G133-N138 WeakPolarHBondContact CA-O 3.25Å; G133-N138 WeakPolarHBondContact CA-OD1 3.4Å
134	T	60.5	Low	78.7	Confident	129 Å²	129	34.5 Å²	34.5	79%	0.791	19%	0.185	S	C	*	.	S	Bend	trans	-86.6	-9.9	171.9	62.2	0	0	0	0	112.9	N138	T134-N138 PolarHBondContact N-OD1 3.14Å; T134-N138 PolarHBondContact OG1-ND2 2.82Å
135	S	61.2	Low	78.6	Confident	52 Å²	52	36.9 Å²	36.9	36%	0.364	20%	0.196	S	C	.	.	S	Bend	trans	-150.3	170	172.9	75.9	0	0	0	0	110.6	C137 N138	S135-C137 PolarHBondContact O-N 3.08Å; S135-C137 VanDerWaalsContact O-N 3.14Å; S135-C137 PolarHBondContact OG-N 2.94Å; S135-N138 PolarHBondContact N-OD1 3.11Å; S135-N138 PolarHBondContact O-N 3.3Å; S135-N138 PolarHBondContact O-OD1 3.17Å; S135-N138 VanDerWaalsContact O-OD1 3.08Å; S135-N138 PolarHBondContact OG-OD1 2.98Å
136	R	64.7	Low	78.5	Confident	83 Å²	83	42.8 Å²	42.8	31%	0.313	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.6	173.6	70	177.8	-179.4	174.1	-1.4	114.1	M70	M70-R136 HydrophobicContact CE-CB 4.33Å
137	C	74.3	Confident	78.3	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.027	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	7.9	-176.4	-60.7	0	0	0	0	113	S135 C171 S221 C222 N224	S135-C137 PolarHBondContact O-N 3.08Å; S135-C137 VanDerWaalsContact O-N 3.14Å; S135-C137 PolarHBondContact OG-N 2.94Å; C137-C171 WeakPolarHBondContact CA-SG 3.44Å; C137-C171 HydrophobicContact CB-CB 3.51Å; C137-C171 WeakPolarHBondContact CB-SG 3.43Å; C137-C171 WeakPolarHBondContact SG-CB 3.38Å; C137-C171 CovalentContact SG-SG 2.03Å; C137-C171 PolarHBondContact SG-SG 3.49Å; C137-S221 WeakPolarHBondContact O-CA 3.23Å; C137-C222 HydrophobicContact CB-CB 4.33Å; C137-C222 PolarHBondContact O-N 2.81Å; C137-N224 PolarHBondContact SG-O 3.25Å
138	N	77.1	Confident	78.3	Confident	19 Å²	19	45.6 Å²	45.6	10%	0.102	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.7	169.5	70.4	-1.4	0	0	0	111.7	I130 G133 T134 S135 I220	I130-N138 WeakPolarHBondContact CG2-O 3.47Å; G133-N138 VanDerWaalsContact CA-O 3.29Å; G133-N138 WeakPolarHBondContact CA-O 3.25Å; G133-N138 WeakPolarHBondContact CA-OD1 3.4Å; T134-N138 PolarHBondContact N-OD1 3.14Å; T134-N138 PolarHBondContact OG1-ND2 2.82Å; S135-N138 PolarHBondContact N-OD1 3.11Å; S135-N138 PolarHBondContact O-N 3.3Å; S135-N138 PolarHBondContact O-OD1 3.17Å; S135-N138 VanDerWaalsContact O-OD1 3.08Å; S135-N138 PolarHBondContact OG-OD1 2.98Å; N138-I220 CarbonylContact C-O 3.12Å; N138-I220 WeakPolarHBondContact CA-O 3.32Å; N138-I220 WeakPolarHBondContact CB-O 3.41Å
139	G	81.9	Confident	78.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.4	-169.6	176.1	0	0	0	0	0	114.2	T219 I220	G139-T219 CarbonylContact O-C 3.47Å; G139-T219 VanDerWaalsContact O-CA 3.23Å; G139-T219 WeakPolarHBondContact O-CA 3.41Å; G139-I220 PolarHBondContact N-O 2.62Å; G139-I220 PolarHBondContact O-N 3.12Å
140	R	87.2	Confident	78.3	Confident	17 Å²	17	44.9 Å²	44.9	6%	0.064	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.6	176.4	-179.3	178.4	71	-107.3	1.2	110.9	I130 L131 N132 E142 F183 D217	I130-R140 CarbonylContact C-O 3.57Å; I130-R140 VanDerWaalsContact CA-O 3.31Å; I130-R140 WeakPolarHBondContact CA-O 3.28Å; L131-R140 VanDerWaalsContact CD1-NH2 3.3Å; L131-R140 PolarHBondContact N-O 3.21Å; L131-R140 PolarHBondContact O-N 3.2Å; N132-R140 PolarHBondContact ND2-NH1 3.13Å; R140-E142 IonicContact CZ-OE1 3.14Å; R140-E142 IonicContact NE-OE1 3.54Å; R140-E142 PolarHBondContact NE-OE1 2.83Å; R140-E142 IonicContact NH2-OE1 2.62Å; R140-E142 PolarHBondContact NH2-OE1 2.83Å; R140-F183 HydrophobicContact CB-CB 4.31Å; R140-F183 PolarHBondContact NH1-O 3.4Å; R140-D217 WeakPolarHBondContact CD-OD2 3.07Å; R140-D217 HydrophobicContact CG-CB 3.81Å
141	V	87.6	Confident	78.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.1	179.1	-174.7	0	0	0	0	111.5	I128 I130 V152 W157 A218 I220	I128-V141 HydrophobicContact CD1-CG1 3.51Å; I128-V141 HydrophobicContact CG1-CG1 3.89Å; I130-V141 HydrophobicContact CD1-CB 4.42Å; I130-V141 HydrophobicContact CD1-CG1 4.43Å; I130-V141 HydrophobicContact CD1-CG2 3.84Å; V141-V152 HydrophobicContact CG1-CG2 4.25Å; V141-W157 HydrophobicContact CB-CH2 4.13Å; V141-W157 HydrophobicContact CB-CZ2 4.48Å; V141-W157 HydrophobicContact CG1-CH2 3.91Å; V141-W157 HydrophobicContact CG1-CZ3 4.48Å; V141-W157 HydrophobicContact CG2-CH2 3.87Å; V141-W157 HydrophobicContact CG2-CZ2 3.8Å; V141-A218 PolarHBondContact N-O 3.44Å; V141-I220 HydrophobicContact CG2-CB 3.99Å; V141-I220 HydrophobicContact CG2-CG2 3.93Å
142	E	88.1	Confident	78.8	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.7	169.7	-68.9	178.2	-166.7	0	0	110.7	I128 R129 L131 R140 W149 L189	I128-E142 WeakPolarHBondContact CA-O 3.23Å; R129-E142 HydrophobicContact CG-CB 3.91Å; R129-E142 IonicContact CZ-OE2 3.96Å; R129-E142 PolarHBondContact N-O 2.67Å; R129-E142 IonicContact NE-OE2 3.89Å; R129-E142 PolarHBondContact NE-OE2 3.16Å; R129-E142 IonicContact NH2-OE2 3.21Å; R129-E142 PolarHBondContact NH2-OE2 3.35Å; R129-E142 PolarHBondContact O-N 3.1Å; L131-E142 VanDerWaalsContact CD1-CD 3.42Å; L131-E142 HydrophobicContact CD1-CG 4.34Å; L131-E142 VanDerWaalsContact CD1-OE1 3.3Å; L131-E142 WeakPolarHBondContact CD1-OE1 3.43Å; L131-E142 WeakPolarHBondContact CD1-OE2 3.46Å; R140-E142 IonicContact CZ-OE1 3.14Å; R140-E142 IonicContact NE-OE1 3.54Å; R140-E142 PolarHBondContact NE-OE1 2.83Å; R140-E142 IonicContact NH2-OE1 2.62Å; R140-E142 PolarHBondContact NH2-OE1 2.83Å; E142-W149 HydrophobicContact CB-CE3 4.22Å; E142-L189 HydrophobicContact CG-CD1 4.47Å
143	L	86.8	Confident	79.2	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.4	-174.9	-175.9	87.6	0	0	0	110.5	H127 Q145 W149 K150 V152 V192 I203 M208	H127-L143 CarbonylContact O-C 2.99Å; H127-L143 VanDerWaalsContact O-CA 3.28Å; H127-L143 WeakPolarHBondContact O-CA 3.43Å; H127-L143 WeakPolarHBondContact O-CD1 3.27Å; L143-Q145 HydrophobicContact CD2-CB 4.39Å; L143-W149 CarbonylContact O-C 3.52Å; L143-W149 WeakPolarHBondContact O-CA 3.45Å; L143-K150 PolarHBondContact N-O 3.26Å; L143-K150 PolarHBondContact O-N 3.15Å; L143-V152 HydrophobicContact CB-CG2 3.96Å; L143-V192 HydrophobicContact CB-CG1 4.46Å; L143-V192 HydrophobicContact CD2-CG1 4.07Å; L143-I203 HydrophobicContact CD1-CB 4.32Å; L143-I203 HydrophobicContact CD1-CG1 4.19Å; L143-I203 HydrophobicContact CD1-CG2 3.29Å; L143-M208 HydrophobicContact CD1-CE 4.27Å; L143-M208 HydrophobicContact CD2-CE 3.73Å; L143-M208 HydrophobicContact CD2-SD 3.81Å
144	F	83.3	Confident	79.7	Confident	31 Å²	31	38.3 Å²	38.3	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.5	172.8	-166.6	-100	0	0	0	111.1	R33 H127 G147 W149	R33-F144 VanDerWaalsContact CZ-CE1 3.4Å; R33-F144 VanDerWaalsContact NH2-CE1 3.28Å; H127-F144 PolarHBondContact O-N 2.79Å; F144-G147 VanDerWaalsContact CZ-C 3.4Å; F144-W149 HydrophobicContact CB-CD2 4.05Å; F144-W149 HydrophobicContact CB-CE3 3.78Å; F144-W149 HydrophobicContact CB-CH2 3.94Å; F144-W149 HydrophobicContact CB-CZ2 4.22Å; F144-W149 HydrophobicContact CB-CZ3 3.71Å; F144-W149 AromaticContact CD2-CD1 3.86Å; F144-W149 AromaticContact CD2-CD2 3.72Å; F144-W149 HydrophobicContact CD2-CD2 3.72Å; F144-W149 AromaticContact CD2-CE2 3.66Å; F144-W149 HydrophobicContact CD2-CE3 4.32Å; F144-W149 AromaticContact CD2-CG 3.86Å; F144-W149 HydrophobicContact CD2-CG 3.86Å; F144-W149 HydrophobicContact CD2-CZ2 4.21Å; F144-W149 AromaticContact CD2-NE1 3.75Å; F144-W149 HydrophobicContact CG-CD2 4.38Å
145	Q	80.9	Confident	80.1	Confident	57 Å²	57	35.6 Å²	35.6	27%	0.266	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.9	178.3	-165.1	-174.1	28.2	0	0	110.1	L143 G147 Q148 K150	L143-Q145 HydrophobicContact CD2-CB 4.39Å; Q145-G147 PolarHBondContact O-N 2.86Å; Q145-Q148 PolarHBondContact N-O 3.17Å; Q145-Q148 PolarHBondContact O-N 3.34Å; Q145-Q148 VanDerWaalsContact O-N 3.1Å; Q145-K150 HydrophobicContact CB-CD 4.28Å
146	D	78.6	Confident	80.4	Confident	130 Å²	130	37.4 Å²	37.4	70%	0.695	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	31	178.6	-49.5	-48.7	0	0	0	114.1	Q148 K150	D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 2.67Å; D146-K150 IonicContact OD2-NZ 3.99Å; D146-K150 PolarHBondContact OD2-NZ 2.62Å
147	G	76.9	Confident	81.1	Confident	57 Å²	57	35.5 Å²	35.5	59%	0.588	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	7.6	-180	0	0	0	0	0	114.7	F144 Q145	F144-G147 VanDerWaalsContact CZ-C 3.4Å; Q145-G147 PolarHBondContact O-N 2.86Å
148	Q	82.3	Confident	81.3	Confident	120 Å²	120	36.6 Å²	36.6	56%	0.561	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.6	179.2	-62.2	-168.8	-32.8	0	0	111.8	Q145 D146	Q145-Q148 PolarHBondContact N-O 3.17Å; Q145-Q148 PolarHBondContact O-N 3.34Å; Q145-Q148 VanDerWaalsContact O-N 3.1Å; D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 2.67Å
149	W	85.9	Confident	81.4	Confident	20 Å²	20	42.4 Å²	42.4	8%	0.076	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127	167.2	-69.9	103.1	0	0	0	109.2	N67 R129 E142 L143 F144 L189	N67-W149 PolarHBondContact OD1-NE1 3.2Å; R129-W149 HydrophobicContact CB-CH2 3.81Å; R129-W149 HydrophobicContact CB-CZ3 3.9Å; R129-W149 HydrophobicContact CG-CD2 4.43Å; R129-W149 HydrophobicContact CG-CE3 3.86Å; R129-W149 HydrophobicContact CG-CH2 3.82Å; R129-W149 HydrophobicContact CG-CZ2 4.37Å; R129-W149 HydrophobicContact CG-CZ3 3.53Å; E142-W149 HydrophobicContact CB-CE3 4.22Å; L143-W149 CarbonylContact O-C 3.52Å; L143-W149 WeakPolarHBondContact O-CA 3.45Å; F144-W149 HydrophobicContact CB-CD2 4.05Å; F144-W149 HydrophobicContact CB-CE3 3.78Å; F144-W149 HydrophobicContact CB-CH2 3.94Å; F144-W149 HydrophobicContact CB-CZ2 4.22Å; F144-W149 HydrophobicContact CB-CZ3 3.71Å; F144-W149 AromaticContact CD2-CD1 3.86Å; F144-W149 AromaticContact CD2-CD2 3.72Å; F144-W149 HydrophobicContact CD2-CD2 3.72Å; F144-W149 AromaticContact CD2-CE2 3.66Å; F144-W149 HydrophobicContact CD2-CE3 4.32Å; F144-W149 AromaticContact CD2-CG 3.86Å; F144-W149 HydrophobicContact CD2-CG 3.86Å; F144-W149 HydrophobicContact CD2-CZ2 4.21Å; F144-W149 AromaticContact CD2-NE1 3.75Å; F144-W149 HydrophobicContact CG-CD2 4.38Å; W149-L189 WeakPolarHBondContact O-CD2 2.93Å
150	K	85.8	Confident	81.5	Confident	14 Å²	14	46.9 Å²	46.9	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.8	176.9	-64.3	-174.3	-172.8	175.4	0	108.9	L143 Q145 D146 H190 V192 D210	L143-K150 PolarHBondContact N-O 3.26Å; L143-K150 PolarHBondContact O-N 3.15Å; Q145-K150 HydrophobicContact CB-CD 4.28Å; D146-K150 IonicContact OD2-NZ 3.99Å; D146-K150 PolarHBondContact OD2-NZ 2.62Å; K150-H190 WeakPolarHBondContact CA-O 3.38Å; K150-H190 WeakPolarHBondContact CB-O 3.29Å; K150-V192 HydrophobicContact CB-CB 4.42Å; K150-V192 HydrophobicContact CB-CG1 4.01Å; K150-V192 HydrophobicContact CD-CB 4.31Å; K150-D210 IonicContact NZ-OD1 2.77Å; K150-D210 PolarHBondContact NZ-OD1 2.92Å
151	R	85.9	Confident	81.5	Confident	25 Å²	25	46.5 Å²	46.5	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.8	175.5	65	-172.4	-61.4	-163	-0.6	110.1	L189 H190 G191 V192 C215 D217	R151-L189 HydrophobicContact CB-CB 4.19Å; R151-L189 WeakPolarHBondContact CD-O 3Å; R151-L189 HydrophobicContact CG-CB 4.31Å; R151-H190 PolarHBondContact N-O 2.7Å; R151-G191 CarbonylContact O-C 3.57Å; R151-G191 WeakPolarHBondContact O-CA 3.47Å; R151-V192 PolarHBondContact O-N 2.92Å; R151-C215 PolarHBondContact NH2-O 3.31Å; R151-D217 IonicContact CZ-OD1 3.34Å; R151-D217 IonicContact CZ-OD2 3.2Å; R151-D217 IonicContact NE-OD1 3.68Å; R151-D217 PolarHBondContact NE-OD1 3.14Å; R151-D217 IonicContact NE-OD2 2.87Å; R151-D217 IonicContact NH2-OD1 2.93Å; R151-D217 PolarHBondContact NH2-OD1 2.77Å; R151-D217 IonicContact NH2-OD2 3.6Å; R151-D217 PolarHBondContact NH2-OD2 3.27Å; R151-D217 VanDerWaalsContact NH2-OD2 3.12Å
152	V	86.3	Confident	81.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.1	179.9	-173.7	0	0	0	0	110	V141 L143 W157 V192 D217 A218	V141-V152 HydrophobicContact CG1-CG2 4.25Å; L143-V152 HydrophobicContact CB-CG2 3.96Å; V152-W157 HydrophobicContact CG1-CE3 3.65Å; V152-W157 HydrophobicContact CG1-CZ3 3.65Å; V152-V192 WeakPolarHBondContact CA-O 3.49Å; V152-V192 HydrophobicContact CG2-CG1 4.2Å; V152-D217 CarbonylContact O-C 3.13Å; V152-D217 WeakPolarHBondContact O-CA 3.01Å; V152-A218 HydrophobicContact CB-CB 4.03Å; V152-A218 HydrophobicContact CG1-CB 3.93Å; V152-A218 WeakPolarHBondContact O-CB 3.01Å; V152-A218 PolarHBondContact O-N 2.75Å
153	C	82.9	Confident	81.1	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-83.8	138	-177.3	-65	0	0	0	0	113.1	S155 V192 K193 F211 C215	C153-S155 VanDerWaalsContact C-N 3.34Å; C153-S155 PolarHBondContact O-N 2.86Å; C153-V192 PolarHBondContact N-O 2.87Å; C153-K193 HydrophobicContact CB-CG 4.16Å; C153-F211 VanDerWaalsContact SG-CD1 3.54Å; C153-C215 WeakPolarHBondContact CA-SG 3.26Å; C153-C215 HydrophobicContact CB-CB 3.59Å; C153-C215 WeakPolarHBondContact CB-SG 3.34Å; C153-C215 WeakPolarHBondContact SG-CB 3.45Å; C153-C215 CovalentContact SG-SG 2.03Å; C153-C215 PolarHBondContact SG-SG 3.36Å
154	S	76.2	Confident	81	Confident	36 Å²	36	49 Å²	49	25%	0.252	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-75.9	-12.5	-179	70.8	0	0	0	0	115.5	D156 W157 I216	S154-D156 PolarHBondContact O-N 2.84Å; S154-W157 PolarHBondContact O-N 3.22Å; S154-I216 PolarHBondContact N-O 3.43Å; S154-I216 WeakPolarHBondContact OG-CB 3.34Å; S154-I216 PolarHBondContact OG-O 3.12Å
155	S	69	Low	81	Confident	71 Å²	71	47.5 Å²	47.5	50%	0.497	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63	-26.9	-172.7	61.3	0	0	0	0	114.3	C153 K193	C153-S155 VanDerWaalsContact C-N 3.34Å; C153-S155 PolarHBondContact O-N 2.86Å; S155-K193 WeakPolarHBondContact OG-CE 3.48Å; S155-K193 PolarHBondContact OG-NZ 2.99Å; S155-K193 VanDerWaalsContact OG-NZ 3.13Å
156	D	67.4	Low	80.9	Confident	90 Å²	90	44.8 Å²	44.8	48%	0.481	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-127.3	18.8	179.1	-55.8	-69	0	0	0	110.9	S154 G158 K193	S154-D156 PolarHBondContact O-N 2.84Å; D156-G158 PolarHBondContact O-N 3.5Å; D156-K193 VanDerWaalsContact OD2-CD 3.26Å; D156-K193 WeakPolarHBondContact OD2-CD 3.13Å; D156-K193 WeakPolarHBondContact OD2-CE 3.27Å; D156-K193 IonicContact OD2-NZ 2.92Å; D156-K193 PolarHBondContact OD2-NZ 3.14Å
157	W	79.1	Confident	80.9	Confident	43 Å²	43	43.6 Å²	43.6	16%	0.163	23%	0.234	C	C	.	.			trans	-84.1	96.9	177.9	-175.3	-96.3	0	0	0	109.7	V141 V152 S154 E161 V165 I203 A218 T219 I220	V141-W157 HydrophobicContact CB-CH2 4.13Å; V141-W157 HydrophobicContact CB-CZ2 4.48Å; V141-W157 HydrophobicContact CG1-CH2 3.91Å; V141-W157 HydrophobicContact CG1-CZ3 4.48Å; V141-W157 HydrophobicContact CG2-CH2 3.87Å; V141-W157 HydrophobicContact CG2-CZ2 3.8Å; V152-W157 HydrophobicContact CG1-CE3 3.65Å; V152-W157 HydrophobicContact CG1-CZ3 3.65Å; S154-W157 PolarHBondContact O-N 3.22Å; W157-E161 HydrophobicContact CD2-CB 4.15Å; W157-E161 HydrophobicContact CE3-CB 3.82Å; W157-E161 HydrophobicContact CE3-CG 4.37Å; W157-E161 HydrophobicContact CH2-CB 4.48Å; W157-E161 HydrophobicContact CZ3-CB 4Å; W157-V165 HydrophobicContact CH2-CB 4.26Å; W157-V165 HydrophobicContact CH2-CG2 3.52Å; W157-V165 HydrophobicContact CZ2-CB 4.49Å; W157-V165 HydrophobicContact CZ2-CG2 4.21Å; W157-V165 HydrophobicContact CZ3-CG2 4.39Å; W157-I203 HydrophobicContact CH2-CD1 4.07Å; W157-I203 HydrophobicContact CZ3-CD1 3.78Å; W157-A218 HydrophobicContact CB-CB 4.13Å; W157-A218 HydrophobicContact CD2-CB 3.47Å; W157-A218 VanDerWaalsContact CD2-CB 3.47Å; W157-A218 HydrophobicContact CE3-CB 3.65Å; W157-A218 HydrophobicContact CG-CB 3.7Å; W157-A218 HydrophobicContact CZ2-CB 4.44Å; W157-A218 HydrophobicContact CZ3-CB 4.2Å; W157-T219 PolarHBondContact NE1-O 3.19Å; W157-I220 HydrophobicContact CZ2-CD1 4.28Å
158	G	77.4	Confident	81	Confident	28 Å²	28	42.2 Å²	42.2	29%	0.289	21%	0.212	S	C	.	.			trans	-100.1	-168.1	-176.6	0	0	0	0	0	113.8	D156 E160 E161 A162	D156-G158 PolarHBondContact O-N 3.5Å; G158-E160 VanDerWaalsContact C-N 3.28Å; G158-E161 VanDerWaalsContact CA-OE2 3.23Å; G158-E161 WeakPolarHBondContact CA-OE2 3.14Å; G158-E161 PolarHBondContact N-OE2 3.47Å; G158-A162 VanDerWaalsContact O-CB 3.24Å; G158-A162 WeakPolarHBondContact O-CB 3.37Å; G158-A162 PolarHBondContact O-N 3.36Å
159	K	79.3	Confident	80.4	Confident	141 Å²	141	37 Å²	37	61%	0.613	19%	0.188	S	C	*	.	H	α-helix	trans	-68.4	-34.8	177.4	-178.8	-174.7	173.2	-170.4	0	110.4	A162 D163 P174	K159-A162 PolarHBondContact O-N 3.08Å; K159-D163 VanDerWaalsContact O-CB 3.27Å; K159-D163 WeakPolarHBondContact O-CB 3.07Å; K159-D163 PolarHBondContact O-N 3Å; K159-P174 HydrophobicContact CG-CG 4.48Å
160	E	85.3	Confident	79.5	Confident	93 Å²	93	39 Å²	39	44%	0.435	21%	0.206	S	C	.	.	H	α-helix	trans	-67.6	-46.1	-175.9	-66.4	69.8	-160	0	0	111.1	G158 D163 V164	G158-E160 VanDerWaalsContact C-N 3.28Å; E160-D163 PolarHBondContact O-N 3.36Å; E160-V164 WeakPolarHBondContact O-CG2 3.49Å; E160-V164 PolarHBondContact O-N 2.84Å; E160-V164 VanDerWaalsContact O-N 3.13Å
161	E	86.6	Confident	78.6	Confident	9 Å²	9	38.5 Å²	38.5	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-44.6	172.7	-65.2	65.6	-142.9	0	0	111	W157 G158 D163 V164 V165 A194 C196	W157-E161 HydrophobicContact CD2-CB 4.15Å; W157-E161 HydrophobicContact CE3-CB 3.82Å; W157-E161 HydrophobicContact CE3-CG 4.37Å; W157-E161 HydrophobicContact CH2-CB 4.48Å; W157-E161 HydrophobicContact CZ3-CB 4Å; G158-E161 VanDerWaalsContact CA-OE2 3.23Å; G158-E161 WeakPolarHBondContact CA-OE2 3.14Å; G158-E161 PolarHBondContact N-OE2 3.47Å; E161-D163 VanDerWaalsContact C-N 3.31Å; E161-D163 PolarHBondContact O-N 3.29Å; E161-V164 PolarHBondContact O-N 3.28Å; E161-V165 WeakPolarHBondContact O-CG2 3.5Å; E161-V165 PolarHBondContact O-N 3.39Å; E161-A194 HydrophobicContact CG-CB 4.48Å; E161-A194 WeakPolarHBondContact CG-O 3.45Å; E161-C196 HydrophobicContact CG-CB 4.12Å; E161-C196 PolarHBondContact OE1-N 3.47Å
162	A	84.6	Confident	77.9	Confident	8 Å²	8	39.1 Å²	39.1	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-36.2	178.7	0	0	0	0	0	112.6	G158 K159 C166 P174 I220	G158-A162 VanDerWaalsContact O-CB 3.24Å; G158-A162 WeakPolarHBondContact O-CB 3.37Å; G158-A162 PolarHBondContact O-N 3.36Å; K159-A162 PolarHBondContact O-N 3.08Å; A162-C166 WeakPolarHBondContact O-CB 3.5Å; A162-C166 PolarHBondContact O-N 2.96Å; A162-C166 PolarHBondContact O-SG 3.26Å; A162-C166 VanDerWaalsContact O-SG 3.39Å; A162-P174 HydrophobicContact CB-CB 3.72Å; A162-P174 HydrophobicContact CB-CG 4.06Å; A162-I220 HydrophobicContact CB-CD1 3.43Å; A162-I220 VanDerWaalsContact CB-CD1 3.43Å
163	D	81.6	Confident	77.3	Confident	51 Å²	51	41 Å²	41	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-70	-44	177.1	-165.4	76.3	0	0	0	111.6	K159 E160 E161 V165 C166 R167 P174	K159-D163 VanDerWaalsContact O-CB 3.27Å; K159-D163 WeakPolarHBondContact O-CB 3.07Å; K159-D163 PolarHBondContact O-N 3Å; E160-D163 PolarHBondContact O-N 3.36Å; E161-D163 VanDerWaalsContact C-N 3.31Å; E161-D163 PolarHBondContact O-N 3.29Å; D163-V165 VanDerWaalsContact C-N 3.32Å; D163-V165 PolarHBondContact O-N 3.49Å; D163-C166 PolarHBondContact O-N 3.24Å; D163-R167 WeakPolarHBondContact O-CB 3.23Å; D163-R167 PolarHBondContact O-N 3.14Å; D163-P174 HydrophobicContact CB-CG 4.27Å; D163-P174 WeakPolarHBondContact OD1-CD 3.5Å
164	V	84.9	Confident	76.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-45.4	173.9	173.2	0	0	0	0	110.4	E160 E161 R167 E168 C196 E200 I203	E160-V164 WeakPolarHBondContact O-CG2 3.49Å; E160-V164 PolarHBondContact O-N 2.84Å; E160-V164 VanDerWaalsContact O-N 3.13Å; E161-V164 PolarHBondContact O-N 3.28Å; V164-R167 PolarHBondContact O-N 2.03Å; V164-E168 VanDerWaalsContact O-CB 3.24Å; V164-E168 WeakPolarHBondContact O-CB 3.17Å; V164-E168 PolarHBondContact O-N 3.28Å; V164-C196 HydrophobicContact CG2-CB 4.16Å; V164-E200 HydrophobicContact CG1-CB 4.19Å; V164-E200 HydrophobicContact CG2-CB 4.14Å; V164-I203 HydrophobicContact CG1-CB 4.27Å
165	V	83.8	Confident	76.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-50.1	178.8	171.1	0	0	0	0	112.5	I128 I130 W157 E161 D163 R167 E168 I169 I203 I220	I128-V165 HydrophobicContact CD1-CB 4.08Å; I128-V165 HydrophobicContact CD1-CG1 3.56Å; I128-V165 HydrophobicContact CD1-CG2 3.45Å; I128-V165 VanDerWaalsContact CD1-CG2 3.45Å; I130-V165 HydrophobicContact CD1-CG1 4.33Å; W157-V165 HydrophobicContact CH2-CB 4.26Å; W157-V165 HydrophobicContact CH2-CG2 3.52Å; W157-V165 HydrophobicContact CZ2-CB 4.49Å; W157-V165 HydrophobicContact CZ2-CG2 4.21Å; W157-V165 HydrophobicContact CZ3-CG2 4.39Å; E161-V165 WeakPolarHBondContact O-CG2 3.5Å; E161-V165 PolarHBondContact O-N 3.39Å; D163-V165 VanDerWaalsContact C-N 3.32Å; D163-V165 PolarHBondContact O-N 3.49Å; V165-R167 PolarHBondContact O-N 3.29Å; V165-E168 PolarHBondContact O-N 3.07Å; V165-E168 VanDerWaalsContact O-N 3.15Å; V165-I169 HydrophobicContact CG1-CD1 4.33Å; V165-I169 VanDerWaalsContact O-CG1 3.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.39Å; V165-I169 PolarHBondContact O-N 2.85Å; V165-I203 HydrophobicContact CG2-CB 4.18Å; V165-I203 HydrophobicContact CG2-CD1 3.47Å; V165-I203 VanDerWaalsContact CG2-CD1 3.47Å; V165-I203 HydrophobicContact CG2-CG1 4.35Å; V165-I220 HydrophobicContact CG1-CG1 4.37Å
166	C	78.7	Confident	76.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-32.4	179.2	-74.4	0	0	0	0	112.1	A162 D163 S170 C171 G172 I220 C222	A162-C166 WeakPolarHBondContact O-CB 3.5Å; A162-C166 PolarHBondContact O-N 2.96Å; A162-C166 PolarHBondContact O-SG 3.26Å; A162-C166 VanDerWaalsContact O-SG 3.39Å; D163-C166 PolarHBondContact O-N 3.24Å; C166-S170 PolarHBondContact O-N 3.47Å; C166-C171 PolarHBondContact O-N 2.82Å; C166-G172 CarbonylContact C-O 3.51Å; C166-G172 WeakPolarHBondContact CB-O 3.36Å; C166-I220 WeakPolarHBondContact SG-CG1 3.2Å; C166-C222 VanDerWaalsContact CA-SG 3.55Å; C166-C222 HydrophobicContact CB-CB 3.86Å; C166-C222 WeakPolarHBondContact CB-SG 3.3Å; C166-C222 WeakPolarHBondContact SG-CB 3.39Å; C166-C222 CovalentContact SG-SG 2.04Å; C166-C222 PolarHBondContact SG-SG 2.81Å
167	R	78.1	Confident	75.7	Confident	105 Å²	105	44.6 Å²	44.6	40%	0.396	25%	0.25	S	C	.	.	H	α-helix	trans	-70.6	-46.8	171.8	-179	171.2	63.1	-145.7	-7.8	112.1	D163 V164 V165 I169 S170 G198 N199 E200	D163-R167 WeakPolarHBondContact O-CB 3.23Å; D163-R167 PolarHBondContact O-N 3.14Å; V164-R167 PolarHBondContact O-N 2.03Å; V165-R167 PolarHBondContact O-N 3.29Å; R167-I169 VanDerWaalsContact C-N 3.32Å; R167-I169 PolarHBondContact O-N 3.08Å; R167-S170 PolarHBondContact O-N 3.12Å; R167-G198 PolarHBondContact NH1-O 2.85Å; R167-G198 PolarHBondContact NH2-O 3.47Å; R167-N199 VanDerWaalsContact NH2-C 3.32Å; R167-E200 PolarHBondContact NH2-O 3.46Å
168	E	79	Confident	74	Confident	28 Å²	28	48.2 Å²	48.2	13%	0.131	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-40.3	-179.7	-179.2	172.8	-172.3	0	0	111.9	M72 I128 V164 V165 S170 S202 I203	M72-E168 WeakPolarHBondContact CE-O 3.26Å; I128-E168 HydrophobicContact CG2-CG 4.23Å; V164-E168 VanDerWaalsContact O-CB 3.24Å; V164-E168 WeakPolarHBondContact O-CB 3.17Å; V164-E168 PolarHBondContact O-N 3.28Å; V165-E168 PolarHBondContact O-N 3.07Å; V165-E168 VanDerWaalsContact O-N 3.15Å; E168-S170 VanDerWaalsContact C-N 3.28Å; E168-S170 PolarHBondContact O-N 2.81Å; E168-S202 WeakPolarHBondContact OE1-CB 3.03Å; E168-S202 PolarHBondContact OE1-OG 2.85Å; E168-S202 VanDerWaalsContact OE2-CA 3.26Å; E168-S202 WeakPolarHBondContact OE2-CA 3.19Å; E168-S202 PolarHBondContact OE2-OG 2.81Å; E168-I203 WeakPolarHBondContact OE2-CG2 3.49Å; E168-I203 PolarHBondContact OE2-N 2.98Å
169	I	71.7	Confident	72.8	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.051	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	8.3	176.1	73.6	-176.6	0	0	0	113.4	I128 I130 V165 R167 C171	I128-I169 HydrophobicContact CG2-CG2 4.12Å; I130-I169 HydrophobicContact CD1-CD1 4.31Å; I130-I169 HydrophobicContact CG1-CD1 4.02Å; V165-I169 HydrophobicContact CG1-CD1 4.33Å; V165-I169 VanDerWaalsContact O-CG1 3.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.39Å; V165-I169 PolarHBondContact O-N 2.85Å; R167-I169 VanDerWaalsContact C-N 3.32Å; R167-I169 PolarHBondContact O-N 3.08Å; I169-C171 VanDerWaalsContact C-N 3.31Å; I169-C171 HydrophobicContact CD1-CB 4.25Å; I169-C171 HydrophobicContact CG1-CB 3.91Å; I169-C171 PolarHBondContact O-N 2.92Å
170	S	67	Low	71.8	Confident	64 Å²	64	48.9 Å²	48.9	45%	0.448	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	34.7	177.7	-58.5	0	0	0	0	115.5	C166 R167 E168	C166-S170 PolarHBondContact O-N 3.47Å; R167-S170 PolarHBondContact O-N 3.12Å; E168-S170 VanDerWaalsContact C-N 3.28Å; E168-S170 PolarHBondContact O-N 2.81Å
171	C	66.4	Low	70.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.014	31%	0.305	C	S	.	.			trans	-105.1	15	-179	-70.4	0	0	0	0	114.2	C137 C166 I169 C222 N224	C137-C171 WeakPolarHBondContact CA-SG 3.44Å; C137-C171 HydrophobicContact CB-CB 3.51Å; C137-C171 WeakPolarHBondContact CB-SG 3.43Å; C137-C171 WeakPolarHBondContact SG-CB 3.38Å; C137-C171 CovalentContact SG-SG 2.03Å; C137-C171 PolarHBondContact SG-SG 3.49Å; C166-C171 PolarHBondContact O-N 2.82Å; I169-C171 VanDerWaalsContact C-N 3.31Å; I169-C171 HydrophobicContact CD1-CB 4.25Å; I169-C171 HydrophobicContact CG1-CB 3.91Å; I169-C171 PolarHBondContact O-N 2.92Å; C171-C222 HydrophobicContact CB-CB 3.48Å; C171-C222 VanDerWaalsContact CB-CB 3.48Å; C171-C222 WeakPolarHBondContact O-CB 3.27Å; C171-N224 PolarHBondContact O-N 3.23Å
172	G	70.2	Confident	69.9	Low	39 Å²	39	56.1 Å²	56.1	40%	0.402	33%	0.334	S	S	.	.			trans	83.3	-141.1	175.8	0	0	0	0	0	113.3	C166	C166-G172 CarbonylContact C-O 3.51Å; C166-G172 WeakPolarHBondContact CB-O 3.36Å
173	A	73.1	Confident	68.9	Low	42 Å²	42	57.2 Å²	57.2	35%	0.347	34%	0.338	S	S	.	.	S	Bend	trans	-93.4	152	-178.4	0	0	0	0	0	112.1	C222 M223	A173-C222 CarbonylContact O-C 3.56Å; A173-C222 WeakPolarHBondContact O-CA 3Å; A173-M223 HydrophobicContact CB-SD 4.22Å; A173-M223 WeakPolarHBondContact O-CG 3.03Å; A173-M223 PolarHBondContact O-N 2.02Å
174	P	74.8	Confident	68	Low	16 Å²	16	55.8 Å²	55.8	10%	0.104	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-71.3	138.5	177.7	28.9	-34.8	0	0	0	112	K159 A162 D163 I220	K159-P174 HydrophobicContact CG-CG 4.48Å; A162-P174 HydrophobicContact CB-CB 3.72Å; A162-P174 HydrophobicContact CB-CG 4.06Å; D163-P174 HydrophobicContact CB-CG 4.27Å; D163-P174 WeakPolarHBondContact OD1-CD 3.5Å; P174-I220 HydrophobicContact CB-CD1 4.3Å
175	V	74.3	Confident	67.1	Low	60 Å²	60	61.2 Å²	61.2	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-82.3	122.3	173.5	-179.3	0	0	0	0	108.9	Q177 S221 M223	V175-Q177 HydrophobicContact CG1-CG 4.32Å; V175-Q177 PolarHBondContact O-N 3.44Å; V175-S221 WeakPolarHBondContact CB-O 3.32Å; V175-S221 PolarHBondContact N-O 3.16Å; V175-M223 HydrophobicContact CG2-CB 4.37Å; V175-M223 HydrophobicContact CG2-CG 3.58Å
176	V	60.5	Low	66.1	Low	133 Å²	133	61.4 Å²	61.4	81%	0.806	36%	0.362	S	S	*	.			trans	-72.3	96.3	174.9	-174.9	0	0	0	0	109
177	Q	54.5	Low	65.4	Low	65 Å²	65	69.5 Å²	69.5	30%	0.304	40%	0.4	S	S	.	.			trans	-85.6	136.3	175	-65.4	-173.6	-0.6	0	0	110.7	V175 A179 Q181 S221	V175-Q177 HydrophobicContact CG1-CG 4.32Å; V175-Q177 PolarHBondContact O-N 3.44Å; Q177-A179 VanDerWaalsContact C-N 3.26Å; Q177-A179 PolarHBondContact O-N 3.06Å; Q177-Q181 VanDerWaalsContact NE2-OE1 3.08Å; Q177-S221 PolarHBondContact NE2-OG 2.75Å
178	A	43.1	Very low	64.8	Low	118 Å²	118	68.6 Å²	68.6	98%	0.975	42%	0.424	S	S	*	.	S	Bend	trans	-75.3	-11.1	-179.8	0	0	0	0	0	113.9
179	A	52.1	Low	64.5	Low	72 Å²	72	70 Å²	70	60%	0.595	43%	0.431	S	S	*	.	S	Bend	trans	-144.3	138.3	176.6	0	0	0	0	0	109.8	Q177 Q181	Q177-A179 VanDerWaalsContact C-N 3.26Å; Q177-A179 PolarHBondContact O-N 3.06Å; A179-Q181 PolarHBondContact O-N 2.71Å
180	T	57.8	Low	64.9	Low	111 Å²	111	75.6 Å²	75.6	68%	0.681	46%	0.457	S	S	*	.			trans	-66.9	111.7	176.2	46.3	0	0	0	0	110.4
181	Q	62.4	Low	65.4	Low	89 Å²	89	72.9 Å²	72.9	42%	0.416	44%	0.439	S	S	.	.			trans	-67.1	137.1	172.6	-76.9	175.4	-16.6	0	0	110.8	Q177 A179 F183 T219	Q177-Q181 VanDerWaalsContact NE2-OE1 3.08Å; A179-Q181 PolarHBondContact O-N 2.71Å; Q181-F183 HydrophobicContact CB-CD2 4.34Å; Q181-F183 HydrophobicContact CB-CE2 3.62Å; Q181-F183 HydrophobicContact CB-CZ 3.93Å; Q181-T219 WeakPolarHBondContact O-CG2 3.37Å; Q181-T219 PolarHBondContact O-OG1 2.96Å
182	Y	70.3	Confident	66.3	Low	165 Å²	165	72.8 Å²	72.8	65%	0.647	44%	0.439	S	S	*	.			trans	-95.9	117.6	-178.8	179.8	-99.3	0	0	0	110.9	E185	Y182-E185 HydrophobicContact CE2-CG 4.15Å
183	F	63.5	Low	66.9	Low	32 Å²	32	72.8 Å²	72.8	14%	0.14	43%	0.428	C	S	.	.			trans	-113.9	28.3	179.3	-64	-72	0	0	0	112.5	N132 R140 Q181 T219	N132-F183 HydrophobicContact CB-CB 4.1Å; N132-F183 WeakPolarHBondContact CB-O 3.39Å; N132-F183 PolarHBondContact ND2-O 2.86Å; N132-F183 WeakPolarHBondContact O-CD1 3.08Å; R140-F183 HydrophobicContact CB-CB 4.31Å; R140-F183 PolarHBondContact NH1-O 3.4Å; Q181-F183 HydrophobicContact CB-CD2 4.34Å; Q181-F183 HydrophobicContact CB-CE2 3.62Å; Q181-F183 HydrophobicContact CB-CZ 3.93Å; F183-T219 HydrophobicContact CD2-CG2 3.74Å
184	G	62.4	Low	67.4	Low	20 Å²	20	71 Å²	71	21%	0.206	41%	0.413	C	S	.	.			trans	83.9	170.5	-176.5	0	0	0	0	0	114
185	E	66.1	Low	67.9	Low	115 Å²	115	74.9 Å²	74.9	54%	0.537	43%	0.433	S	S	.	.			trans	-105.2	138.7	-176.1	-73.1	178.9	179.3	0	0	113.1	Y182 Q187 D217	Y182-E185 HydrophobicContact CE2-CG 4.15Å; E185-Q187 PolarHBondContact O-N 3.3Å; E185-Q187 VanDerWaalsContact O-N 3.11Å; E185-D217 WeakPolarHBondContact CA-OD2 3.04Å
186	G	63.1	Low	68.5	Low	4 Å²	4	72.4 Å²	72.4	4%	0.041	42%	0.418	C	S	.	.			trans	-74.6	87.6	167.1	0	0	0	0	0	111.8	D217	G186-D217 PolarHBondContact N-OD2 3.02Å
187	Q	62.5	Low	69.5	Low	169 Å²	169	71.5 Å²	71.5	79%	0.79	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	131.7	177.5	-66.3	-169.9	-15.2	0	0	111.7	E185	E185-Q187 PolarHBondContact O-N 3.3Å; E185-Q187 VanDerWaalsContact O-N 3.11Å
188	G	65.9	Low	70.4	Confident	87 Å²	87	69.1 Å²	69.1	90%	0.897	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	7.5	173.2	0	0	0	0	0	116.4
189	L	72.9	Confident	72.1	Confident	56 Å²	56	69.2 Å²	69.2	29%	0.293	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-102.7	144.2	177.4	-53.8	-178.5	0	0	0	111.9	E142 W149 R151	E142-L189 HydrophobicContact CG-CD1 4.47Å; W149-L189 WeakPolarHBondContact O-CD2 2.93Å; R151-L189 HydrophobicContact CB-CB 4.19Å; R151-L189 WeakPolarHBondContact CD-O 3Å; R151-L189 HydrophobicContact CG-CB 4.31Å
190	H	79.6	Confident	73.7	Confident	128 Å²	128	66.9 Å²	66.9	59%	0.593	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-69.8	138.4	172.1	-74.3	-72.5	0	0	0	110.9	K150 R151	K150-H190 WeakPolarHBondContact CA-O 3.38Å; K150-H190 WeakPolarHBondContact CB-O 3.29Å; R151-H190 PolarHBondContact N-O 2.7Å
191	G	78.8	Confident	74.5	Confident	7 Å²	7	67 Å²	67	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.2	179.3	0	0	0	0	0	112.4	R151 F211	R151-G191 CarbonylContact O-C 3.57Å; R151-G191 WeakPolarHBondContact O-CA 3.47Å; G191-F211 PolarHBondContact O-N 3.4Å; G191-F211 VanDerWaalsContact O-O 3.13Å
192	V	83.9	Confident	75.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.3	171.7	69	0	0	0	0	110.1	L143 K150 R151 V152 C153 M208	L143-V192 HydrophobicContact CB-CG1 4.46Å; L143-V192 HydrophobicContact CD2-CG1 4.07Å; K150-V192 HydrophobicContact CB-CB 4.42Å; K150-V192 HydrophobicContact CB-CG1 4.01Å; K150-V192 HydrophobicContact CD-CB 4.31Å; R151-V192 PolarHBondContact O-N 2.92Å; V152-V192 WeakPolarHBondContact CA-O 3.49Å; V152-V192 HydrophobicContact CG2-CG1 4.2Å; C153-V192 PolarHBondContact N-O 2.87Å; V192-M208 HydrophobicContact CG2-CB 4.02Å; V192-M208 HydrophobicContact CG2-CG 4.4Å; V192-M208 HydrophobicContact CG2-SD 3.91Å
193	K	84.2	Confident	76	Confident	40 Å²	40	55.5 Å²	55.5	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.4	170.5	-69.4	177.7	167.1	-155.7	0	108.8	C153 S155 D156 M208 Q209 F211	C153-K193 HydrophobicContact CB-CG 4.16Å; S155-K193 WeakPolarHBondContact OG-CE 3.48Å; S155-K193 PolarHBondContact OG-NZ 2.99Å; S155-K193 VanDerWaalsContact OG-NZ 3.13Å; D156-K193 VanDerWaalsContact OD2-CD 3.26Å; D156-K193 WeakPolarHBondContact OD2-CD 3.13Å; D156-K193 WeakPolarHBondContact OD2-CE 3.27Å; D156-K193 IonicContact OD2-NZ 2.92Å; D156-K193 PolarHBondContact OD2-NZ 3.14Å; K193-M208 CarbonylContact O-C 3.58Å; K193-M208 WeakPolarHBondContact O-CA 3.46Å; K193-Q209 HydrophobicContact CB-CB 4.39Å; K193-Q209 PolarHBondContact N-O 3.15Å; K193-Q209 PolarHBondContact O-N 3.04Å; K193-F211 HydrophobicContact CD-CD2 3.95Å; K193-F211 HydrophobicContact CD-CG 4.42Å; K193-F211 HydrophobicContact CG-CB 4.3Å
194	A	83.3	Confident	76.8	Confident	4 Å²	4	56 Å²	56	3%	0.033	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.7	171.9	0	0	0	0	0	108.7	E161 I203 M208	E161-A194 HydrophobicContact CG-CB 4.48Å; E161-A194 WeakPolarHBondContact CG-O 3.45Å; A194-I203 HydrophobicContact CB-CD1 4.06Å; A194-I203 HydrophobicContact CB-CG1 4.11Å; A194-M208 HydrophobicContact CB-CE 3.81Å; A194-M208 HydrophobicContact CB-SD 3.72Å
195	N	85.5	Confident	77.8	Confident	97 Å²	97	59.6 Å²	59.6	52%	0.519	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	107.4	173.5	-175.7	-1.8	0	0	0	108.6	C206 V207	N195-C206 WeakPolarHBondContact O-CB 3.11Å; N195-V207 PolarHBondContact N-O 3.31Å; N195-V207 PolarHBondContact O-N 2.79Å
196	C	85.8	Confident	78.8	Confident	8 Å²	8	54.5 Å²	54.5	5%	0.054	32%	0.32	C	S	.	.			trans	-108.1	150.8	-173.6	-60.3	0	0	0	0	111.2	E161 V164 C206	E161-C196 HydrophobicContact CG-CB 4.12Å; E161-C196 PolarHBondContact OE1-N 3.47Å; V164-C196 HydrophobicContact CG2-CB 4.16Å; C196-C206 HydrophobicContact CB-CB 4.02Å; C196-C206 WeakPolarHBondContact CB-SG 3.47Å; C196-C206 WeakPolarHBondContact SG-CB 3.17Å; C196-C206 CovalentContact SG-SG 2.03Å; C196-C206 PolarHBondContact SG-SG 2.8Å
197	V	82.9	Confident	79.9	Confident	114 Å²	114	58.8 Å²	58.8	69%	0.691	35%	0.345	S	S	*	.			trans	-88.7	-19.6	172.5	-174.9	0	0	0	0	111	E200	V197-E200 WeakPolarHBondContact CB-OE1 3.02Å; V197-E200 PolarHBondContact N-OE1 2.81Å; V197-E200 PolarHBondContact N-OE2 3.26Å
198	G	73.3	Confident	80.9	Confident	15 Å²	15	52.7 Å²	52.7	16%	0.155	32%	0.317	C	S	.	.	S	Bend	trans	102.2	-8.9	176.5	0	0	0	0	0	114.5	R167 E200	R167-G198 PolarHBondContact NH1-O 2.85Å; R167-G198 PolarHBondContact NH2-O 3.47Å; G198-E200 WeakPolarHBondContact CA-OE2 3.49Å; G198-E200 PolarHBondContact N-OE2 2.85Å
199	N	77.5	Confident	81.7	Confident	121 Å²	121	54 Å²	54	65%	0.647	30%	0.299	S	S	*	.			trans	-106	4.1	-180	70.1	-2.5	0	0	0	113.6	R167	R167-N199 VanDerWaalsContact NH2-C 3.32Å
200	E	86.5	Confident	82	Confident	23 Å²	23	56.5 Å²	56.5	11%	0.107	31%	0.313	C	S	.	.			trans	-68.9	140	179.5	-64.6	86.5	167.4	0	0	112	V164 R167 V197 G198 S202 N205	V164-E200 HydrophobicContact CG1-CB 4.19Å; V164-E200 HydrophobicContact CG2-CB 4.14Å; R167-E200 PolarHBondContact NH2-O 3.46Å; V197-E200 WeakPolarHBondContact CB-OE1 3.02Å; V197-E200 PolarHBondContact N-OE1 2.81Å; V197-E200 PolarHBondContact N-OE2 3.26Å; G198-E200 WeakPolarHBondContact CA-OE2 3.49Å; G198-E200 PolarHBondContact N-OE2 2.85Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 2.79Å; E200-N205 HydrophobicContact CB-CB 4.23Å; E200-N205 HydrophobicContact CG-CB 4.27Å
201	T	74.8	Confident	81.8	Confident	112 Å²	112	52.9 Å²	52.9	69%	0.687	30%	0.296	S	S	*	.	S	Bend	trans	-75.7	-19.6	179.4	55.4	0	0	0	0	113.7	N205	T201-N205 PolarHBondContact OG1-ND2 2.89Å; T201-N205 VanDerWaalsContact OG1-ND2 3.15Å
202	S	81.2	Confident	81	Confident	14 Å²	14	63.9 Å²	63.9	10%	0.098	34%	0.335	C	S	.	.	S	Bend	trans	-151	148.7	175.8	170.4	0	0	0	0	108.8	E168 E200 S204 N205	E168-S202 WeakPolarHBondContact OE1-CB 3.03Å; E168-S202 PolarHBondContact OE1-OG 2.85Å; E168-S202 VanDerWaalsContact OE2-CA 3.26Å; E168-S202 WeakPolarHBondContact OE2-CA 3.19Å; E168-S202 PolarHBondContact OE2-OG 2.81Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 2.79Å; S202-S204 PolarHBondContact O-N 3.25Å; S202-S204 VanDerWaalsContact O-N 3.17Å; S202-S204 PolarHBondContact OG-N 2.03Å; S202-S204 PolarHBondContact OG-OG 3.17Å; S202-S204 VanDerWaalsContact OG-OG 3.1Å; S202-N205 WeakPolarHBondContact O-CB 3.37Å; S202-N205 PolarHBondContact O-N 3.29Å
203	I	81.8	Confident	80.2	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-58.2	-27	175.5	-170.8	159.8	0	0	0	111.6	I128 L143 W157 V164 V165 E168 A194 N205 C206 M208	I128-I203 HydrophobicContact CB-CG2 4.19Å; I128-I203 HydrophobicContact CD1-CD1 4.45Å; I128-I203 HydrophobicContact CD1-CG2 3.84Å; L143-I203 HydrophobicContact CD1-CB 4.32Å; L143-I203 HydrophobicContact CD1-CG1 4.19Å; L143-I203 HydrophobicContact CD1-CG2 3.29Å; W157-I203 HydrophobicContact CH2-CD1 4.07Å; W157-I203 HydrophobicContact CZ3-CD1 3.78Å; V164-I203 HydrophobicContact CG1-CB 4.27Å; V165-I203 HydrophobicContact CG2-CB 4.18Å; V165-I203 HydrophobicContact CG2-CD1 3.47Å; V165-I203 VanDerWaalsContact CG2-CD1 3.47Å; V165-I203 HydrophobicContact CG2-CG1 4.35Å; E168-I203 WeakPolarHBondContact OE2-CG2 3.49Å; E168-I203 PolarHBondContact OE2-N 2.98Å; A194-I203 HydrophobicContact CB-CD1 4.06Å; A194-I203 HydrophobicContact CB-CG1 4.11Å; I203-N205 PolarHBondContact O-N 2.81Å; I203-N205 VanDerWaalsContact O-N 3.12Å; I203-C206 VanDerWaalsContact O-CB 3.3Å; I203-C206 WeakPolarHBondContact O-CB 3.43Å; I203-C206 PolarHBondContact O-N 2.96Å; I203-M208 HydrophobicContact CG1-CE 4.03Å; I203-M208 WeakPolarHBondContact O-CE 3.42Å
204	S	80	Confident	79.2	Confident	42 Å²	42	75.5 Å²	75.5	29%	0.294	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.8	175.9	65.2	0	0	0	0	113.4	S202 C206	S202-S204 PolarHBondContact O-N 3.25Å; S202-S204 VanDerWaalsContact O-N 3.17Å; S202-S204 PolarHBondContact OG-N 2.03Å; S202-S204 PolarHBondContact OG-OG 3.17Å; S202-S204 VanDerWaalsContact OG-OG 3.1Å; S204-C206 VanDerWaalsContact C-N 3.33Å
205	N	85.1	Confident	78.6	Confident	96 Å²	96	76.3 Å²	76.3	51%	0.513	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-87.8	-4.7	179.4	-61.3	-9.2	0	0	0	112.5	E200 T201 S202 I203	E200-N205 HydrophobicContact CB-CB 4.23Å; E200-N205 HydrophobicContact CG-CB 4.27Å; T201-N205 PolarHBondContact OG1-ND2 2.89Å; T201-N205 VanDerWaalsContact OG1-ND2 3.15Å; S202-N205 WeakPolarHBondContact O-CB 3.37Å; S202-N205 PolarHBondContact O-N 3.29Å; I203-N205 PolarHBondContact O-N 2.81Å; I203-N205 VanDerWaalsContact O-N 3.12Å
206	C	85.9	Confident	78.2	Confident	8 Å²	8	77.1 Å²	77.1	5%	0.054	41%	0.408	C	S	.	.	S	Bend	trans	-78	160.9	173.9	-57.5	0	0	0	0	111.5	N195 C196 I203 S204 M208	N195-C206 WeakPolarHBondContact O-CB 3.11Å; C196-C206 HydrophobicContact CB-CB 4.02Å; C196-C206 WeakPolarHBondContact CB-SG 3.47Å; C196-C206 WeakPolarHBondContact SG-CB 3.17Å; C196-C206 CovalentContact SG-SG 2.03Å; C196-C206 PolarHBondContact SG-SG 2.8Å; I203-C206 VanDerWaalsContact O-CB 3.3Å; I203-C206 WeakPolarHBondContact O-CB 3.43Å; I203-C206 PolarHBondContact O-N 2.96Å; S204-C206 VanDerWaalsContact C-N 3.33Å; C206-M208 HydrophobicContact CB-CE 4.15Å; C206-M208 PolarHBondContact O-N 2.86Å
207	V	85.8	Confident	77.9	Confident	94 Å²	94	77.3 Å²	77.3	57%	0.57	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.2	178.1	178.1	0	0	0	0	109.3	N195	N195-V207 PolarHBondContact N-O 3.31Å; N195-V207 PolarHBondContact O-N 2.79Å
208	M	84.3	Confident	78	Confident	40 Å²	40	71.9 Å²	71.9	20%	0.197	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.7	-178.5	-63.1	-60.8	166.8	0	0	112.3	L143 V192 K193 A194 I203 C206	L143-M208 HydrophobicContact CD1-CE 4.27Å; L143-M208 HydrophobicContact CD2-CE 3.73Å; L143-M208 HydrophobicContact CD2-SD 3.81Å; V192-M208 HydrophobicContact CG2-CB 4.02Å; V192-M208 HydrophobicContact CG2-CG 4.4Å; V192-M208 HydrophobicContact CG2-SD 3.91Å; K193-M208 CarbonylContact O-C 3.58Å; K193-M208 WeakPolarHBondContact O-CA 3.46Å; A194-M208 HydrophobicContact CB-CE 3.81Å; A194-M208 HydrophobicContact CB-SD 3.72Å; I203-M208 HydrophobicContact CG1-CE 4.03Å; I203-M208 WeakPolarHBondContact O-CE 3.42Å; C206-M208 HydrophobicContact CB-CE 4.15Å; C206-M208 PolarHBondContact O-N 2.86Å
209	Q	83	Confident	78.5	Confident	114 Å²	114	72.4 Å²	72.4	53%	0.533	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.8	172.6	-61.9	-178.6	8.5	0	0	110.4	K193 F211	K193-Q209 HydrophobicContact CB-CB 4.39Å; K193-Q209 PolarHBondContact N-O 3.15Å; K193-Q209 PolarHBondContact O-N 3.04Å; Q209-F211 PolarHBondContact O-N 3.23Å
210	D	79	Confident	78.8	Confident	110 Å²	110	67 Å²	67	59%	0.588	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.4	174.8	-76.6	-34	0	0	0	110.6	K150	K150-D210 IonicContact NZ-OD1 2.77Å; K150-D210 PolarHBondContact NZ-OD1 2.92Å
211	F	75.3	Confident	78.4	Confident	51 Å²	51	67 Å²	67	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120	179	-165.6	-104.9	0	0	0	110.1	C153 G191 K193 Q209 E213 C215	C153-F211 VanDerWaalsContact SG-CD1 3.54Å; G191-F211 PolarHBondContact O-N 3.4Å; G191-F211 VanDerWaalsContact O-O 3.13Å; K193-F211 HydrophobicContact CD-CD2 3.95Å; K193-F211 HydrophobicContact CD-CG 4.42Å; K193-F211 HydrophobicContact CG-CB 4.3Å; Q209-F211 PolarHBondContact O-N 3.23Å; F211-E213 HydrophobicContact CD1-CB 4.41Å; F211-E213 VanDerWaalsContact CD1-O 3.25Å; F211-E213 WeakPolarHBondContact CD1-O 3.43Å; F211-E213 HydrophobicContact CE1-CB 3.69Å; F211-E213 WeakPolarHBondContact CE1-O 3.24Å; F211-E213 HydrophobicContact CZ-CB 3.96Å; F211-C215 HydrophobicContact CD1-CB 4.13Å; F211-C215 HydrophobicContact CE1-CB 3.89Å
212	R	61.8	Low	78.5	Confident	238 Å²	238	62.3 Å²	62.3	90%	0.898	32%	0.321	S	S	*	.			trans	-96.2	-1	-170	-67.8	-175.5	177.7	-178.2	-0.6	114.5
213	E	66.8	Low	77.8	Confident	149 Å²	149	67.5 Å²	67.5	70%	0.696	35%	0.345	S	S	*	.	S	Bend	trans	-109.4	163.8	-180	-64.3	-176.8	-179	0	0	111.8	F211 C215	F211-E213 HydrophobicContact CD1-CB 4.41Å; F211-E213 VanDerWaalsContact CD1-O 3.25Å; F211-E213 WeakPolarHBondContact CD1-O 3.43Å; F211-E213 HydrophobicContact CE1-CB 3.69Å; F211-E213 WeakPolarHBondContact CE1-O 3.24Å; F211-E213 HydrophobicContact CZ-CB 3.96Å; E213-C215 PolarHBondContact O-N 3.17Å
214	T	63.6	Low	76.7	Confident	135 Å²	135	70.4 Å²	70.4	83%	0.828	36%	0.361	S	S	*	.			trans	-70.5	121.2	175.4	52.3	0	0	0	0	110.3
215	C	71.5	Confident	75.5	Confident	21 Å²	21	71.3 Å²	71.3	14%	0.142	37%	0.367	C	S	.	.			trans	-118.9	162.6	176	63.5	0	0	0	0	111	R151 C153 F211 E213	R151-C215 PolarHBondContact NH2-O 3.31Å; C153-C215 WeakPolarHBondContact CA-SG 3.26Å; C153-C215 HydrophobicContact CB-CB 3.59Å; C153-C215 WeakPolarHBondContact CB-SG 3.34Å; C153-C215 WeakPolarHBondContact SG-CB 3.45Å; C153-C215 CovalentContact SG-SG 2.03Å; C153-C215 PolarHBondContact SG-SG 3.36Å; F211-C215 HydrophobicContact CD1-CB 4.13Å; F211-C215 HydrophobicContact CE1-CB 3.89Å; E213-C215 PolarHBondContact O-N 3.17Å
216	I	75.8	Confident	74.4	Confident	115 Å²	115	69 Å²	69	59%	0.59	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-73.8	137.1	168.5	-61.7	172.3	0	0	0	107.6	S154	S154-I216 PolarHBondContact N-O 3.43Å; S154-I216 WeakPolarHBondContact OG-CB 3.34Å; S154-I216 PolarHBondContact OG-O 3.12Å
217	D	80.4	Confident	73.6	Confident	11 Å²	11	70.1 Å²	70.1	6%	0.059	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-69.7	140.7	179.4	-68	-38.1	0	0	0	111.9	R140 R151 V152 E185 G186	R140-D217 WeakPolarHBondContact CD-OD2 3.07Å; R140-D217 HydrophobicContact CG-CB 3.81Å; R151-D217 IonicContact CZ-OD1 3.34Å; R151-D217 IonicContact CZ-OD2 3.2Å; R151-D217 IonicContact NE-OD1 3.68Å; R151-D217 PolarHBondContact NE-OD1 3.14Å; R151-D217 IonicContact NE-OD2 2.87Å; R151-D217 IonicContact NH2-OD1 2.93Å; R151-D217 PolarHBondContact NH2-OD1 2.77Å; R151-D217 IonicContact NH2-OD2 3.6Å; R151-D217 PolarHBondContact NH2-OD2 3.27Å; R151-D217 VanDerWaalsContact NH2-OD2 3.12Å; V152-D217 CarbonylContact O-C 3.13Å; V152-D217 WeakPolarHBondContact O-CA 3.01Å; E185-D217 WeakPolarHBondContact CA-OD2 3.04Å; G186-D217 PolarHBondContact N-OD2 3.02Å
218	A	84.1	Confident	73.6	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.3	137.7	171.1	0	0	0	0	0	110.6	V141 V152 W157	V141-A218 PolarHBondContact N-O 3.44Å; V152-A218 HydrophobicContact CB-CB 4.03Å; V152-A218 HydrophobicContact CG1-CB 3.93Å; V152-A218 WeakPolarHBondContact O-CB 3.01Å; V152-A218 PolarHBondContact O-N 2.75Å; W157-A218 HydrophobicContact CB-CB 4.13Å; W157-A218 HydrophobicContact CD2-CB 3.47Å; W157-A218 VanDerWaalsContact CD2-CB 3.47Å; W157-A218 HydrophobicContact CE3-CB 3.65Å; W157-A218 HydrophobicContact CG-CB 3.7Å; W157-A218 HydrophobicContact CZ2-CB 4.44Å; W157-A218 HydrophobicContact CZ3-CB 4.2Å
219	T	84.4	Confident	73.4	Confident	26 Å²	26	68.5 Å²	68.5	16%	0.16	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.1	178.2	63.6	0	0	0	0	110.1	G139 W157 Q181 F183	G139-T219 CarbonylContact O-C 3.47Å; G139-T219 VanDerWaalsContact O-CA 3.23Å; G139-T219 WeakPolarHBondContact O-CA 3.41Å; W157-T219 PolarHBondContact NE1-O 3.19Å; Q181-T219 WeakPolarHBondContact O-CG2 3.37Å; Q181-T219 PolarHBondContact O-OG1 2.96Å; F183-T219 HydrophobicContact CD2-CG2 3.74Å
220	I	83.3	Confident	73.5	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.7	-178	-161.5	60.5	0	0	0	110.9	I130 N138 G139 V141 W157 A162 V165 C166 P174	I130-I220 HydrophobicContact CD1-CG2 3.87Å; I130-I220 HydrophobicContact CG2-CG2 4.42Å; N138-I220 CarbonylContact C-O 3.12Å; N138-I220 WeakPolarHBondContact CA-O 3.32Å; N138-I220 WeakPolarHBondContact CB-O 3.41Å; G139-I220 PolarHBondContact N-O 2.62Å; G139-I220 PolarHBondContact O-N 3.12Å; V141-I220 HydrophobicContact CG2-CB 3.99Å; V141-I220 HydrophobicContact CG2-CG2 3.93Å; W157-I220 HydrophobicContact CZ2-CD1 4.28Å; A162-I220 HydrophobicContact CB-CD1 3.43Å; A162-I220 VanDerWaalsContact CB-CD1 3.43Å; V165-I220 HydrophobicContact CG1-CG1 4.37Å; C166-I220 WeakPolarHBondContact SG-CG1 3.2Å; P174-I220 HydrophobicContact CB-CD1 4.3Å
221	S	78.5	Confident	73.9	Confident	24 Å²	24	60.7 Å²	60.7	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	116.2	169	-171.5	0	0	0	0	107.8	C137 V175 Q177	C137-S221 WeakPolarHBondContact O-CA 3.23Å; V175-S221 WeakPolarHBondContact CB-O 3.32Å; V175-S221 PolarHBondContact N-O 3.16Å; Q177-S221 PolarHBondContact NE2-OG 2.75Å
222	C	77.9	Confident	74.2	Confident	13 Å²	13	63.4 Å²	63.4	9%	0.088	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-105.1	157.7	-177.3	-44.2	0	0	0	0	111.3	C137 C166 C171 A173 N224	C137-C222 HydrophobicContact CB-CB 4.33Å; C137-C222 PolarHBondContact O-N 2.81Å; C166-C222 VanDerWaalsContact CA-SG 3.55Å; C166-C222 HydrophobicContact CB-CB 3.86Å; C166-C222 WeakPolarHBondContact CB-SG 3.3Å; C166-C222 WeakPolarHBondContact SG-CB 3.39Å; C166-C222 CovalentContact SG-SG 2.04Å; C166-C222 PolarHBondContact SG-SG 2.81Å; C171-C222 HydrophobicContact CB-CB 3.48Å; C171-C222 VanDerWaalsContact CB-CB 3.48Å; C171-C222 WeakPolarHBondContact O-CB 3.27Å; A173-C222 CarbonylContact O-C 3.56Å; A173-C222 WeakPolarHBondContact O-CA 3Å; C222-N224 PolarHBondContact O-N 3.33Å
223	M	65.1	Low	74.9	Confident	123 Å²	123	53.5 Å²	53.5	61%	0.606	29%	0.294	S	S	*	.	S	Bend	trans	-69.8	-27.8	-168.5	-78.5	-177.1	175.9	0	0	115.5	A173 V175	A173-M223 HydrophobicContact CB-SD 4.22Å; A173-M223 WeakPolarHBondContact O-CG 3.03Å; A173-M223 PolarHBondContact O-N 2.02Å; V175-M223 HydrophobicContact CG2-CB 4.37Å; V175-M223 HydrophobicContact CG2-CG 3.58Å
224	N	58.9	Low	75	Confident	60 Å²	60	52.4 Å²	52.4	32%	0.321	30%	0.297	S	S	.	.			trans	-126.3	134.8	-171.4	-72.3	4.6	0	0	0	112.3	C137 C171 C222	C137-N224 PolarHBondContact SG-O 3.25Å; C171-N224 PolarHBondContact O-N 3.23Å; C222-N224 PolarHBondContact O-N 3.33Å
225	S	55.8	Low	75.1	Confident	61 Å²	61	48.8 Å²	48.8	43%	0.427	27%	0.273	S	S	.	.	S	Bend	trans	-92.6	-23.7	165.8	42.3	0	0	0	0	113.3
226	K	61	Low	75.1	Confident	47 Å²	47	53.4 Å²	53.4	20%	0.204	29%	0.287	C	S	.	.	S	Bend	trans	-155.5	107.7	174.9	-60.9	179.2	-174.7	-175.1	0	111.2	Y245 S305 F312	K226-Y245 HydrophobicContact CD-CD2 3.59Å; K226-Y245 HydrophobicContact CD-CE2 4.07Å; K226-Y245 HydrophobicContact CG-CD2 4.32Å; K226-Y245 VanDerWaalsContact NZ-CD2 3.32Å; K226-S305 WeakPolarHBondContact CB-OG 2.98Å; K226-F312 HydrophobicContact CD-CE1 3.93Å; K226-F312 HydrophobicContact CD-CE2 4.03Å; K226-F312 HydrophobicContact CD-CZ 3.47Å; K226-F312 VanDerWaalsContact CD-CZ 3.47Å
227	P	68.6	Low	75.1	Confident	33 Å²	33	48 Å²	48	21%	0.214	26%	0.259	C	S	.	.			trans	-84.2	155.6	-174.2	30.8	-33.5	0	0	0	114.3	Y244	P227-Y244 HydrophobicContact CG-CD1 4.09Å; P227-Y244 HydrophobicContact CG-CG 4.27Å; P227-Y244 WeakPolarHBondContact O-CB 3.28Å; P227-Y244 PolarHBondContact O-N 2.88Å
228	I	85.9	Confident	75	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.062	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	162.9	171.2	71.8	-179	0	0	0	113.4	E242 V243 T265 E268 M269 L304	I228-E242 CarbonylContact C-O 3.53Å; I228-E242 VanDerWaalsContact CA-O 3.23Å; I228-E242 WeakPolarHBondContact CA-O 3.08Å; I228-E242 WeakPolarHBondContact CB-O 3.27Å; I228-V243 HydrophobicContact CB-CG2 4.47Å; I228-V243 HydrophobicContact CG2-CB 4.26Å; I228-V243 HydrophobicContact CG2-CG1 4.4Å; I228-V243 HydrophobicContact CG2-CG2 3.53Å; I228-T265 HydrophobicContact CD1-CG2 3.76Å; I228-E268 HydrophobicContact CD1-CB 3.9Å; I228-E268 HydrophobicContact CD1-CG 4.03Å; I228-E268 HydrophobicContact CG1-CB 4.42Å; I228-E268 HydrophobicContact CG1-CG 4.06Å; I228-E268 PolarHBondContact N-OE1 3.07Å; I228-M269 HydrophobicContact CD1-CG 3.93Å; I228-M269 HydrophobicContact CD1-SD 4.4Å; I228-M269 HydrophobicContact CG1-CG 3.85Å; I228-M269 HydrophobicContact CG1-SD 3.65Å; I228-M269 VanDerWaalsContact O-SD 3.32Å; I228-L304 HydrophobicContact CG2-CB 4.21Å; I228-L304 HydrophobicContact CG2-CD2 4.41Å
229	R	81.7	Confident	75	Confident	87 Å²	87	47.4 Å²	47.4	33%	0.328	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159	171.3	74.5	-178.7	-177.4	-170.9	-0.4	112.1	V231 E242 W249	R229-V231 HydrophobicContact CG-CG2 3.91Å; R229-E242 HydrophobicContact CG-CB 3.91Å; R229-E242 IonicContact CZ-OE2 2.74Å; R229-E242 PolarHBondContact N-O 3.09Å; R229-E242 IonicContact NE-OE2 2.83Å; R229-E242 PolarHBondContact NE-OE2 3.46Å; R229-E242 IonicContact NH2-OE2 3.99Å; R229-E242 PolarHBondContact NH2-OE2 3.27Å; R229-E242 PolarHBondContact O-N 2.84Å; R229-W249 HydrophobicContact CB-CE3 4.45Å; R229-W249 HydrophobicContact CB-CH2 3.71Å; R229-W249 HydrophobicContact CB-CZ2 4.39Å; R229-W249 HydrophobicContact CB-CZ3 3.76Å; R229-W249 HydrophobicContact CG-CD2 4.17Å; R229-W249 HydrophobicContact CG-CE3 3.65Å; R229-W249 HydrophobicContact CG-CH2 3.79Å; R229-W249 HydrophobicContact CG-CZ2 4.3Å; R229-W249 HydrophobicContact CG-CZ3 3.45Å; R229-W249 VanDerWaalsContact CG-CZ3 3.45Å; R229-W249 VanDerWaalsContact NH1-CD1 3.32Å
230	L	84.9	Confident	75.5	Confident	28 Å²	28	46.9 Å²	46.9	15%	0.147	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.9	175.1	-58	-177.9	0	0	0	110.9	R240 V241 T265 M269 V325	L230-R240 WeakPolarHBondContact CA-O 3.41Å; L230-V241 HydrophobicContact CD2-CB 4.42Å; L230-V241 HydrophobicContact CD2-CG2 3.86Å; L230-T265 HydrophobicContact CD2-CG2 4.18Å; L230-M269 HydrophobicContact CD1-CG 4.42Å; L230-M269 HydrophobicContact CG-CE 4.22Å; L230-M269 HydrophobicContact CG-CG 4.26Å; L230-V325 HydrophobicContact CD1-CG1 3.86Å; L230-V325 HydrophobicContact CD2-CG1 3.51Å; L230-V325 HydrophobicContact CG-CG1 4.35Å
231	V	85.9	Confident	76	Confident	33 Å²	33	46.5 Å²	46.5	20%	0.2	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.8	-173.4	-174	0	0	0	0	111.3	R229 G233 G239 R240 E242	R229-V231 HydrophobicContact CG-CG2 3.91Å; V231-G233 PolarHBondContact O-N 2.02Å; V231-G233 VanDerWaalsContact O-N 3.12Å; V231-G239 CarbonylContact O-C 3.6Å; V231-G239 WeakPolarHBondContact O-CA 3.06Å; V231-R240 PolarHBondContact N-O 2.8Å; V231-R240 PolarHBondContact O-N 3.14Å; V231-E242 HydrophobicContact CG2-CG 4.41Å; V231-E242 WeakPolarHBondContact CG2-OE2 3.49Å
232	N	81.8	Confident	76.7	Confident	108 Å²	108	45.6 Å²	45.6	58%	0.578	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.2	18.7	176.8	-66.1	-11.8	0	0	0	116.3	R240 Y283	N232-R240 PolarHBondContact ND2-NH1 3.12Å; N232-Y283 WeakPolarHBondContact CB-O 3.43Å; N232-Y283 PolarHBondContact ND2-O 3.41Å; N232-Y283 VanDerWaalsContact O-CD1 3.27Å; N232-Y283 WeakPolarHBondContact O-CD1 3.32Å
233	G	76	Confident	77.3	Confident	30 Å²	30	45 Å²	45	31%	0.309	24%	0.239	S	C	.	.	S	Bend	trans	-79.2	178.2	171.8	0	0	0	0	0	114.3	V231 N235 S238	V231-G233 PolarHBondContact O-N 2.02Å; V231-G233 VanDerWaalsContact O-N 3.12Å; G233-N235 VanDerWaalsContact C-N 3.34Å; G233-S238 VanDerWaalsContact CA-O 3.29Å; G233-S238 WeakPolarHBondContact CA-O 3.43Å
234	T	69.8	Low	77.8	Confident	126 Å²	126	40.9 Å²	40.9	77%	0.773	22%	0.216	S	C	*	.	S	Bend	trans	-80.3	-17.6	178.5	52.4	0	0	0	0	112.8	S238	T234-S238 PolarHBondContact N-OG 2.8Å; T234-S238 VanDerWaalsContact N-OG 3.09Å; T234-S238 PolarHBondContact OG1-OG 2.82Å
235	N	66.3	Low	78.3	Confident	58 Å²	58	40.3 Å²	40.3	31%	0.31	21%	0.21	S	C	.	.	S	Bend	trans	-153	-179.7	176.6	61.4	21.2	0	0	0	110.1	G233 C237 S238 E329	G233-N235 VanDerWaalsContact C-N 3.34Å; N235-C237 PolarHBondContact O-N 3.32Å; N235-C237 VanDerWaalsContact O-N 3.08Å; N235-C237 VanDerWaalsContact OD1-C 3.23Å; N235-C237 WeakPolarHBondContact OD1-CA 3.28Å; N235-C237 PolarHBondContact OD1-N 3.04Å; N235-S238 PolarHBondContact N-OG 3.34Å; N235-S238 PolarHBondContact O-N 3.49Å; N235-S238 VanDerWaalsContact O-O 3.12Å; N235-S238 WeakPolarHBondContact OD1-CB 2.83Å; N235-S238 PolarHBondContact OD1-N 3.02Å; N235-S238 PolarHBondContact OD1-OG 2.98Å; N235-E329 PolarHBondContact ND2-OE2 3.28Å
236	R	70.6	Confident	78.6	Confident	119 Å²	119	40.5 Å²	40.5	45%	0.449	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.8	179.2	70.4	175.9	-179.3	92	5	114.9	E329	R236-E329 IonicContact NE-OE1 2.97Å
237	C	76.6	Confident	78.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	20.8	-173.1	-72.9	0	0	0	0	112.2	N235 C271 C327 E329	N235-C237 PolarHBondContact O-N 3.32Å; N235-C237 VanDerWaalsContact O-N 3.08Å; N235-C237 VanDerWaalsContact OD1-C 3.23Å; N235-C237 WeakPolarHBondContact OD1-CA 3.28Å; N235-C237 PolarHBondContact OD1-N 3.04Å; C237-C271 WeakPolarHBondContact CA-SG 3.29Å; C237-C271 HydrophobicContact CB-CB 3.57Å; C237-C271 WeakPolarHBondContact CB-SG 3.23Å; C237-C271 VanDerWaalsContact SG-CA 3.55Å; C237-C271 WeakPolarHBondContact SG-CB 3.32Å; C237-C271 CovalentContact SG-SG 2.04Å; C237-C271 PolarHBondContact SG-SG 3.49Å; C237-C327 HydrophobicContact CB-CB 4.17Å; C237-C327 VanDerWaalsContact O-CB 3.32Å; C237-C327 WeakPolarHBondContact O-CB 3.39Å; C237-C327 PolarHBondContact O-N 3.23Å; C237-C327 PolarHBondContact O-SG 3.01Å; C237-E329 HydrophobicContact CB-CB 3.78Å; C237-E329 HydrophobicContact CB-CG 4Å
238	S	77.8	Confident	78.7	Confident	1 Å²	1	42 Å²	42	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.1	169.9	54.7	0	0	0	0	108.9	G233 T234 N235 V325	G233-S238 VanDerWaalsContact CA-O 3.29Å; G233-S238 WeakPolarHBondContact CA-O 3.43Å; T234-S238 PolarHBondContact N-OG 2.8Å; T234-S238 VanDerWaalsContact N-OG 3.09Å; T234-S238 PolarHBondContact OG1-OG 2.82Å; N235-S238 PolarHBondContact N-OG 3.34Å; N235-S238 PolarHBondContact O-N 3.49Å; N235-S238 VanDerWaalsContact O-O 3.12Å; N235-S238 WeakPolarHBondContact OD1-CB 2.83Å; N235-S238 PolarHBondContact OD1-N 3.02Å; N235-S238 PolarHBondContact OD1-OG 2.98Å; S238-V325 VanDerWaalsContact CA-O 3.25Å; S238-V325 WeakPolarHBondContact CA-O 3.15Å
239	G	84.7	Confident	78.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-180	176.3	0	0	0	0	0	113.4	V231 G324 V325	V231-G239 CarbonylContact O-C 3.6Å; V231-G239 WeakPolarHBondContact O-CA 3.06Å; G239-G324 VanDerWaalsContact O-CA 3.3Å; G239-G324 WeakPolarHBondContact O-CA 3.45Å; G239-V325 PolarHBondContact N-O 2.95Å; G239-V325 PolarHBondContact O-N 3.05Å
240	R	93.7	Very high	78.8	Confident	14 Å²	14	40.5 Å²	40.5	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.5	167.4	-177.9	175.5	60.5	-101.9	-2.8	109	L230 V231 N232 E242 Y283 G284 D322 A323	L230-R240 WeakPolarHBondContact CA-O 3.41Å; V231-R240 PolarHBondContact N-O 2.8Å; V231-R240 PolarHBondContact O-N 3.14Å; N232-R240 PolarHBondContact ND2-NH1 3.12Å; R240-E242 IonicContact CZ-OE1 2.67Å; R240-E242 VanDerWaalsContact CZ-OE1 3.29Å; R240-E242 IonicContact NE-OE1 3.16Å; R240-E242 PolarHBondContact NE-OE1 2.79Å; R240-E242 IonicContact NH2-OE1 3.92Å; R240-E242 PolarHBondContact NH2-OE1 2.66Å; R240-Y283 PolarHBondContact NH1-O 3.02Å; R240-G284 WeakPolarHBondContact CD-O 3.38Å; R240-G284 PolarHBondContact NH1-O 3.17Å; R240-D322 HydrophobicContact CG-CB 4.1Å; R240-A323 WeakPolarHBondContact CA-O 3.39Å
241	V	95.1	Very high	79.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.1	-179.6	-172.5	0	0	0	0	109.1	L230 V252 W257 T265 L304 A323 V325	L230-V241 HydrophobicContact CD2-CB 4.42Å; L230-V241 HydrophobicContact CD2-CG2 3.86Å; V241-V252 HydrophobicContact CB-CB 4.48Å; V241-V252 HydrophobicContact CB-CG2 4.36Å; V241-V252 HydrophobicContact CG1-CG2 4.01Å; V241-V252 PolarHBondContact O-N 3.25Å; V241-W257 HydrophobicContact CB-CH2 4.25Å; V241-W257 HydrophobicContact CB-CZ2 4.47Å; V241-W257 HydrophobicContact CG1-CH2 4.15Å; V241-W257 HydrophobicContact CG2-CH2 3.85Å; V241-W257 HydrophobicContact CG2-CZ2 3.67Å; V241-T265 HydrophobicContact CG1-CG2 4.08Å; V241-T265 HydrophobicContact CG2-CG2 4.03Å; V241-L304 HydrophobicContact CG1-CD2 3.85Å; V241-A323 PolarHBondContact N-O 2.85Å; V241-V325 HydrophobicContact CG2-CB 4.14Å; V241-V325 HydrophobicContact CG2-CG1 3.89Å
242	E	93.6	Very high	79.6	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138	175	-68.4	177.4	-170.7	0	0	109.5	I228 R229 V231 R240 W249 G250 T251	I228-E242 CarbonylContact C-O 3.53Å; I228-E242 VanDerWaalsContact CA-O 3.23Å; I228-E242 WeakPolarHBondContact CA-O 3.08Å; I228-E242 WeakPolarHBondContact CB-O 3.27Å; R229-E242 HydrophobicContact CG-CB 3.91Å; R229-E242 IonicContact CZ-OE2 2.74Å; R229-E242 PolarHBondContact N-O 3.09Å; R229-E242 IonicContact NE-OE2 2.83Å; R229-E242 PolarHBondContact NE-OE2 3.46Å; R229-E242 IonicContact NH2-OE2 3.99Å; R229-E242 PolarHBondContact NH2-OE2 3.27Å; R229-E242 PolarHBondContact O-N 2.84Å; V231-E242 HydrophobicContact CG2-CG 4.41Å; V231-E242 WeakPolarHBondContact CG2-OE2 3.49Å; R240-E242 IonicContact CZ-OE1 2.67Å; R240-E242 VanDerWaalsContact CZ-OE1 3.29Å; R240-E242 IonicContact NE-OE1 3.16Å; R240-E242 PolarHBondContact NE-OE1 2.79Å; R240-E242 IonicContact NH2-OE1 3.92Å; R240-E242 PolarHBondContact NH2-OE1 2.66Å; E242-W249 HydrophobicContact CB-CE3 4.02Å; E242-W249 WeakPolarHBondContact O-CZ3 3.35Å; E242-G250 CarbonylContact C-O 3.56Å; E242-G250 WeakPolarHBondContact CA-O 3.46Å; E242-G250 WeakPolarHBondContact CB-O 3.44Å; E242-T251 HydrophobicContact CG-CG2 4.11Å
243	V	89.3	Confident	80.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.3	179	175.5	0	0	0	0	109.1	I228 G250 V252 W291 L292 L304 F312	I228-V243 HydrophobicContact CB-CG2 4.47Å; I228-V243 HydrophobicContact CG2-CB 4.26Å; I228-V243 HydrophobicContact CG2-CG1 4.4Å; I228-V243 HydrophobicContact CG2-CG2 3.53Å; V243-G250 PolarHBondContact N-O 3.02Å; V243-G250 PolarHBondContact O-N 3.47Å; V243-V252 HydrophobicContact CG2-CG2 3.69Å; V243-W291 VanDerWaalsContact O-CD1 3.27Å; V243-L292 HydrophobicContact CB-CD1 4.38Å; V243-L292 HydrophobicContact CG1-CD1 4.36Å; V243-L292 HydrophobicContact CG2-CD1 3.73Å; V243-L304 HydrophobicContact CG2-CD2 4.05Å; V243-F312 HydrophobicContact CG1-CE1 4.07Å
244	Y	76.5	Confident	80.6	Confident	36 Å²	36	32 Å²	32	14%	0.141	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.3	173.9	-172.1	-106.6	0	0	0	110	P227 G247 Q248 W249	P227-Y244 HydrophobicContact CG-CD1 4.09Å; P227-Y244 HydrophobicContact CG-CG 4.27Å; P227-Y244 WeakPolarHBondContact O-CB 3.28Å; P227-Y244 PolarHBondContact O-N 2.88Å; Y244-G247 WeakPolarHBondContact CE2-O 3.39Å; Y244-G247 VanDerWaalsContact OH-CA 3.27Å; Y244-G247 WeakPolarHBondContact OH-CA 3.35Å; Y244-G247 PolarHBondContact OH-O 2.81Å; Y244-Q248 WeakPolarHBondContact CA-O 3.47Å; Y244-Q248 WeakPolarHBondContact CD2-O 3.47Å; Y244-W249 AromaticContact CD2-CD1 3.87Å; Y244-W249 AromaticContact CD2-CD2 3.94Å; Y244-W249 HydrophobicContact CD2-CD2 3.94Å; Y244-W249 AromaticContact CD2-CE2 3.75Å; Y244-W249 HydrophobicContact CD2-CG 4.04Å; Y244-W249 HydrophobicContact CD2-CZ2 4.28Å; Y244-W249 AromaticContact CD2-NE1 3.69Å; Y244-W249 HydrophobicContact CG-CD2 4.49Å; Y244-W249 HydrophobicContact CG-CZ2 4.39Å
245	Y	69.8	Low	81.2	Confident	49 Å²	49	28.8 Å²	28.8	19%	0.192	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.5	178.3	-175.1	-111.4	0	0	0	109.9	K226 G247 Q248 W291 F312	K226-Y245 HydrophobicContact CD-CD2 3.59Å; K226-Y245 HydrophobicContact CD-CE2 4.07Å; K226-Y245 HydrophobicContact CG-CD2 4.32Å; K226-Y245 VanDerWaalsContact NZ-CD2 3.32Å; Y245-G247 PolarHBondContact O-N 2.88Å; Y245-Q248 PolarHBondContact N-O 3Å; Y245-Q248 PolarHBondContact O-N 3.49Å; Y245-W291 HydrophobicContact CD1-CD2 4.03Å; Y245-W291 AromaticContact CD1-CE3 3.66Å; Y245-W291 HydrophobicContact CD1-CE3 3.66Å; Y245-W291 HydrophobicContact CD1-CH2 4.24Å; Y245-W291 AromaticContact CD1-CZ3 3.78Å; Y245-W291 HydrophobicContact CD1-CZ3 3.78Å; Y245-W291 HydrophobicContact CE1-CE3 4.46Å; Y245-W291 HydrophobicContact CE1-CZ3 4.32Å; Y245-F312 HydrophobicContact CD1-CB 3.46Å; Y245-F312 VanDerWaalsContact CD1-CB 3.46Å; Y245-F312 AromaticContact CD1-CD1 3.46Å; Y245-F312 HydrophobicContact CD1-CD1 3.46Å; Y245-F312 VanDerWaalsContact CD1-CD1 3.46Å; Y245-F312 HydrophobicContact CD1-CE1 4.41Å; Y245-F312 AromaticContact CD1-CG 3.64Å; Y245-F312 HydrophobicContact CD1-CG 3.64Å; Y245-F312 AromaticContact CD2-CD1 3.62Å; Y245-F312 HydrophobicContact CD2-CD1 3.62Å; Y245-F312 HydrophobicContact CD2-CD2 4.37Å; Y245-F312 AromaticContact CD2-CE1 3.83Å; Y245-F312 HydrophobicContact CD2-CE1 3.83Å; Y245-F312 AromaticContact CD2-CG 3.91Å; Y245-F312 HydrophobicContact CD2-CG 3.91Å; Y245-F312 HydrophobicContact CD2-CZ 4.34Å; Y245-F312 HydrophobicContact CE1-CB 3.19Å; Y245-F312 AromaticContact CE1-CD1 3.98Å; Y245-F312 HydrophobicContact CE1-CD1 3.98Å; Y245-F312 HydrophobicContact CE1-CD2 4.47Å; Y245-F312 AromaticContact CE1-CG 3.64Å; Y245-F312 HydrophobicContact CE1-CG 3.64Å; Y245-F312 HydrophobicContact CE2-CB 4.33Å; Y245-F312 HydrophobicContact CE2-CD1 4.14Å; Y245-F312 HydrophobicContact CE2-CD2 4.14Å; Y245-F312 AromaticContact CE2-CG 3.93Å; Y245-F312 HydrophobicContact CE2-CG 3.93Å; Y245-F312 HydrophobicContact CG-CB 4.12Å; Y245-F312 AromaticContact CG-CD1 3.23Å; Y245-F312 HydrophobicContact CG-CD1 3.23Å; Y245-F312 AromaticContact CG-CE1 3.75Å; Y245-F312 HydrophobicContact CG-CE1 3.75Å; Y245-F312 AromaticContact CG-CG 3.75Å; Y245-F312 HydrophobicContact CG-CG 3.75Å; Y245-F312 AromaticContact CZ-CG 3.77Å
246	E	60.2	Low	81.6	Confident	64 Å²	64	31.4 Å²	31.4	30%	0.299	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	33.6	179	-74.8	-169.9	-156.9	0	0	116.8	V56	V56-E246 HydrophobicContact CB-CG 4.14Å; V56-E246 HydrophobicContact CG2-CB 3.73Å; V56-E246 HydrophobicContact CG2-CG 3.83Å
247	G	60.2	Low	82.2	Confident	17 Å²	17	26 Å²	26	18%	0.175	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-1.2	176.2	0	0	0	0	0	114.3	Y244 Y245	Y244-G247 WeakPolarHBondContact CE2-O 3.39Å; Y244-G247 VanDerWaalsContact OH-CA 3.27Å; Y244-G247 WeakPolarHBondContact OH-CA 3.35Å; Y244-G247 PolarHBondContact OH-O 2.81Å; Y245-G247 PolarHBondContact O-N 2.88Å
248	Q	71.5	Confident	81.7	Confident	95 Å²	95	26.8 Å²	26.8	44%	0.444	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.6	-176	-64.1	-177.3	-13.8	0	0	111.8	Y244 Y245 W291	Y244-Q248 WeakPolarHBondContact CA-O 3.47Å; Y244-Q248 WeakPolarHBondContact CD2-O 3.47Å; Y245-Q248 PolarHBondContact N-O 3Å; Y245-Q248 PolarHBondContact O-N 3.49Å; Q248-W291 HydrophobicContact CB-CZ2 4.18Å; Q248-W291 PolarHBondContact O-NE1 2.9Å
249	W	82.1	Confident	81.2	Confident	66 Å²	66	28.3 Å²	28.3	25%	0.25	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139.8	168	-72.4	97.4	0	0	0	109.1	R229 E242 Y244 D288	R229-W249 HydrophobicContact CB-CE3 4.45Å; R229-W249 HydrophobicContact CB-CH2 3.71Å; R229-W249 HydrophobicContact CB-CZ2 4.39Å; R229-W249 HydrophobicContact CB-CZ3 3.76Å; R229-W249 HydrophobicContact CG-CD2 4.17Å; R229-W249 HydrophobicContact CG-CE3 3.65Å; R229-W249 HydrophobicContact CG-CH2 3.79Å; R229-W249 HydrophobicContact CG-CZ2 4.3Å; R229-W249 HydrophobicContact CG-CZ3 3.45Å; R229-W249 VanDerWaalsContact CG-CZ3 3.45Å; R229-W249 VanDerWaalsContact NH1-CD1 3.32Å; E242-W249 HydrophobicContact CB-CE3 4.02Å; E242-W249 WeakPolarHBondContact O-CZ3 3.35Å; Y244-W249 AromaticContact CD2-CD1 3.87Å; Y244-W249 AromaticContact CD2-CD2 3.94Å; Y244-W249 HydrophobicContact CD2-CD2 3.94Å; Y244-W249 AromaticContact CD2-CE2 3.75Å; Y244-W249 HydrophobicContact CD2-CG 4.04Å; Y244-W249 HydrophobicContact CD2-CZ2 4.28Å; Y244-W249 AromaticContact CD2-NE1 3.69Å; Y244-W249 HydrophobicContact CG-CD2 4.49Å; Y244-W249 HydrophobicContact CG-CZ2 4.39Å; W249-D288 WeakPolarHBondContact O-CB 3.44Å
250	G	88.3	Confident	80.3	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.6	175.7	0	0	0	0	0	111	E242 V243 Q289	E242-G250 CarbonylContact C-O 3.56Å; E242-G250 WeakPolarHBondContact CA-O 3.46Å; E242-G250 WeakPolarHBondContact CB-O 3.44Å; V243-G250 PolarHBondContact N-O 3.02Å; V243-G250 PolarHBondContact O-N 3.47Å; G250-Q289 CarbonylContact C-O 3.53Å; G250-Q289 VanDerWaalsContact C-O 3.31Å; G250-Q289 WeakPolarHBondContact CA-O 3.49Å
251	T	93.9	Very high	79.7	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	168.8	-173.9	57.9	0	0	0	0	111.9	E242 Q289 V290 W291 H319 D322	E242-T251 HydrophobicContact CG-CG2 4.11Å; T251-Q289 PolarHBondContact N-O 3.05Å; T251-V290 CarbonylContact O-C 3.58Å; T251-W291 PolarHBondContact O-N 2.66Å; T251-H319 PolarHBondContact OG1-CE1 3.5Å; T251-H319 PolarHBondContact OG1-ND1 2.03Å; T251-D322 WeakPolarHBondContact CB-OD1 3.38Å; T251-D322 HydrophobicContact CG2-CB 4.45Å; T251-D322 PolarHBondContact OG1-OD1 2.77Å
252	V	94.9	Very high	79	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.2	174.3	175.3	0	0	0	0	107.9	V241 V243 W257 L292 I295 L304 D322 A323	V241-V252 HydrophobicContact CB-CB 4.48Å; V241-V252 HydrophobicContact CB-CG2 4.36Å; V241-V252 HydrophobicContact CG1-CG2 4.01Å; V241-V252 PolarHBondContact O-N 3.25Å; V243-V252 HydrophobicContact CG2-CG2 3.69Å; V252-W257 HydrophobicContact CG1-CE3 3.78Å; V252-W257 HydrophobicContact CG1-CZ3 3.69Å; V252-L292 WeakPolarHBondContact CA-O 3.28Å; V252-L292 HydrophobicContact CG1-CB 4.38Å; V252-L292 HydrophobicContact CG2-CB 4.3Å; V252-I295 HydrophobicContact CG1-CD1 3.39Å; V252-I295 HydrophobicContact CG1-CG1 4.35Å; V252-L304 HydrophobicContact CG2-CD2 4.18Å; V252-D322 WeakPolarHBondContact O-CA 3.34Å; V252-A323 HydrophobicContact CB-CB 4.26Å; V252-A323 HydrophobicContact CG1-CB 4.13Å; V252-A323 WeakPolarHBondContact O-CB 3.47Å; V252-A323 PolarHBondContact O-N 3.26Å
253	C	93.1	Very high	77.9	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.007	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-73	148.3	175.2	-171.9	0	0	0	0	111.8	D255 V290 L292 D293 C317 E321	C253-D255 VanDerWaalsContact C-N 3.33Å; C253-D255 PolarHBondContact SG-N 2.99Å; C253-D255 VanDerWaalsContact SG-N 3.42Å; C253-V290 HydrophobicContact CB-CG1 4.15Å; C253-L292 PolarHBondContact N-O 2.82Å; C253-D293 HydrophobicContact CB-CB 4.09Å; C253-C317 HydrophobicContact CB-CB 3.67Å; C253-C317 WeakPolarHBondContact CB-SG 3.03Å; C253-C317 WeakPolarHBondContact SG-CB 3.32Å; C253-C317 CovalentContact SG-SG 2Å; C253-C317 PolarHBondContact SG-SG 3.42Å; C253-E321 CarbonylContact C-O 3.37Å; C253-E321 WeakPolarHBondContact CA-O 3.42Å
254	D	86.1	Confident	77.4	Confident	19 Å²	19	31.4 Å²	31.4	10%	0.102	16%	0.157	C	C	.	.			trans	-87.1	-1.6	178.7	78.4	-2.7	0	0	0	114.1	K256 W257 Y279 K280 E321 A323	D254-K256 PolarHBondContact O-N 2.93Å; D254-W257 HydrophobicContact CB-CB 4.22Å; D254-W257 VanDerWaalsContact O-CB 3.29Å; D254-W257 WeakPolarHBondContact O-CB 3.45Å; D254-W257 PolarHBondContact O-N 3.47Å; D254-W257 VanDerWaalsContact O-N 3.08Å; D254-Y279 HydrophobicContact CB-CD1 4.05Å; D254-Y279 WeakPolarHBondContact OD2-CA 3.49Å; D254-Y279 VanDerWaalsContact OD2-CB 3.28Å; D254-Y279 WeakPolarHBondContact OD2-CB 3.23Å; D254-K280 PolarHBondContact OD2-N 2.97Å; D254-E321 VanDerWaalsContact CB-O 3.26Å; D254-E321 WeakPolarHBondContact CB-O 3.38Å; D254-E321 VanDerWaalsContact CG-O 3.26Å; D254-E321 PolarHBondContact N-O 3.19Å; D254-E321 WeakPolarHBondContact OD1-CB 3.27Å; D254-A323 HydrophobicContact CB-CB 4.06Å
255	D	82.1	Confident	77.8	Confident	57 Å²	57	29.7 Å²	29.7	31%	0.305	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	122.4	166.5	-81.9	-6.1	0	0	0	110.4	C253 W257	C253-D255 VanDerWaalsContact C-N 3.33Å; C253-D255 PolarHBondContact SG-N 2.99Å; C253-D255 VanDerWaalsContact SG-N 3.42Å; D255-W257 PolarHBondContact O-N 3.36Å; D255-W257 VanDerWaalsContact O-N 3.1Å
256	K	75	Confident	78.2	Confident	113 Å²	113	27.3 Å²	27.3	49%	0.491	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	13.7	-169	-61.8	-178.6	-174.5	148.4	0	115.4	D254 G258 D294	D254-K256 PolarHBondContact O-N 2.93Å; K256-G258 PolarHBondContact O-N 2.8Å; K256-D294 HydrophobicContact CD-CB 4.32Å; K256-D294 WeakPolarHBondContact CD-OD1 3.01Å; K256-D294 WeakPolarHBondContact CE-OD1 3.48Å; K256-D294 WeakPolarHBondContact CG-OD1 3.44Å; K256-D294 IonicContact NZ-OD1 2.84Å; K256-D294 PolarHBondContact NZ-OD1 3.19Å; K256-D294 IonicContact NZ-OD2 2.74Å; K256-D294 PolarHBondContact NZ-OD2 3.38Å
257	W	81.8	Confident	79.1	Confident	6 Å²	6	29.3 Å²	29.3	2%	0.023	15%	0.145	C	C	.	.			trans	-72	110.4	176.8	-178.3	-104.7	0	0	0	112.2	V241 V252 D254 D255 E261 T265 Y279 I295 L304 A323 G324 V325	V241-W257 HydrophobicContact CB-CH2 4.25Å; V241-W257 HydrophobicContact CB-CZ2 4.47Å; V241-W257 HydrophobicContact CG1-CH2 4.15Å; V241-W257 HydrophobicContact CG2-CH2 3.85Å; V241-W257 HydrophobicContact CG2-CZ2 3.67Å; V252-W257 HydrophobicContact CG1-CE3 3.78Å; V252-W257 HydrophobicContact CG1-CZ3 3.69Å; D254-W257 HydrophobicContact CB-CB 4.22Å; D254-W257 VanDerWaalsContact O-CB 3.29Å; D254-W257 WeakPolarHBondContact O-CB 3.45Å; D254-W257 PolarHBondContact O-N 3.47Å; D254-W257 VanDerWaalsContact O-N 3.08Å; D255-W257 PolarHBondContact O-N 3.36Å; D255-W257 VanDerWaalsContact O-N 3.1Å; W257-E261 HydrophobicContact CD2-CB 4.14Å; W257-E261 HydrophobicContact CE3-CB 3.59Å; W257-E261 HydrophobicContact CE3-CG 4.01Å; W257-E261 HydrophobicContact CH2-CB 4Å; W257-E261 HydrophobicContact CZ2-CB 4.48Å; W257-E261 HydrophobicContact CZ3-CB 3.53Å; W257-E261 HydrophobicContact CZ3-CG 4.25Å; W257-T265 WeakPolarHBondContact CH2-OG1 3.32Å; W257-Y279 WeakPolarHBondContact O-CE1 3.3Å; W257-I295 HydrophobicContact CE3-CD1 4.42Å; W257-I295 HydrophobicContact CZ3-CD1 4.15Å; W257-L304 HydrophobicContact CH2-CD1 4.25Å; W257-L304 HydrophobicContact CH2-CD2 4.05Å; W257-L304 HydrophobicContact CZ3-CD1 3.92Å; W257-L304 HydrophobicContact CZ3-CD2 3.96Å; W257-A323 HydrophobicContact CB-CB 4.29Å; W257-A323 HydrophobicContact CD2-CB 3.58Å; W257-A323 HydrophobicContact CE3-CB 4.05Å; W257-A323 HydrophobicContact CG-CB 3.66Å; W257-A323 HydrophobicContact CZ2-CB 4.41Å; W257-G324 PolarHBondContact NE1-O 3.33Å; W257-G324 VanDerWaalsContact NE1-O 3.08Å; W257-V325 HydrophobicContact CZ2-CB 4.47Å
258	G	66.6	Low	80	Confident	16 Å²	16	30.2 Å²	30.2	17%	0.165	15%	0.145	C	C	.	.			trans	-126	-171.9	-174.4	0	0	0	0	0	114.8	K256 Q260 E261 A262 V277	K256-G258 PolarHBondContact O-N 2.8Å; G258-Q260 PolarHBondContact O-N 2.04Å; G258-E261 WeakPolarHBondContact CA-OE2 3.18Å; G258-E261 PolarHBondContact N-OE2 2.79Å; G258-E261 PolarHBondContact O-N 3.49Å; G258-A262 WeakPolarHBondContact O-CB 3.36Å; G258-A262 PolarHBondContact O-N 2.83Å; G258-A262 VanDerWaalsContact O-N 3.08Å; G258-V277 VanDerWaalsContact O-CG1 3.26Å; G258-V277 WeakPolarHBondContact O-CG1 3.47Å
259	M	67.9	Low	80.1	Confident	34 Å²	34	28.1 Å²	28.1	17%	0.167	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-22	-178	-76.3	-64.8	-65.4	0	0	112.7	A263 A274 V277	M259-A263 VanDerWaalsContact O-CB 3.29Å; M259-A263 WeakPolarHBondContact O-CB 3.22Å; M259-A263 PolarHBondContact O-N 2.56Å; M259-A274 HydrophobicContact CE-CB 3.86Å; M259-A274 WeakPolarHBondContact CE-O 3.31Å; M259-V277 HydrophobicContact SD-CG1 4.24Å; M259-V277 HydrophobicContact SD-CG2 4.45Å
260	Q	65	Low	79.3	Confident	46 Å²	46	28.7 Å²	28.7	22%	0.215	14%	0.144	C	C	.	.	H	α-helix	trans	-71.3	-46.8	176.7	-71.9	77.6	-7.2	0	0	110.5	G258 A262 A263 V264 C297	G258-Q260 PolarHBondContact O-N 2.04Å; Q260-A262 VanDerWaalsContact C-N 3.32Å; Q260-A262 PolarHBondContact O-N 3.31Å; Q260-A263 WeakPolarHBondContact O-CB 3.29Å; Q260-A263 PolarHBondContact O-N 3.24Å; Q260-A263 VanDerWaalsContact O-N 3.12Å; Q260-V264 WeakPolarHBondContact O-CG2 3.46Å; Q260-V264 PolarHBondContact O-N 3.35Å; Q260-C297 HydrophobicContact CB-CB 4.23Å; Q260-C297 VanDerWaalsContact CB-O 3.29Å; Q260-C297 WeakPolarHBondContact CB-O 3.45Å
261	E	81.6	Confident	78.4	Confident	5 Å²	5	28.7 Å²	28.7	2%	0.023	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-42.9	175	-62	57.9	-118.3	0	0	109.9	W257 G258 A263 V264 T265 I295 C297 L304	W257-E261 HydrophobicContact CD2-CB 4.14Å; W257-E261 HydrophobicContact CE3-CB 3.59Å; W257-E261 HydrophobicContact CE3-CG 4.01Å; W257-E261 HydrophobicContact CH2-CB 4Å; W257-E261 HydrophobicContact CZ2-CB 4.48Å; W257-E261 HydrophobicContact CZ3-CB 3.53Å; W257-E261 HydrophobicContact CZ3-CG 4.25Å; G258-E261 WeakPolarHBondContact CA-OE2 3.18Å; G258-E261 PolarHBondContact N-OE2 2.79Å; G258-E261 PolarHBondContact O-N 3.49Å; E261-A263 VanDerWaalsContact C-N 3.32Å; E261-A263 PolarHBondContact O-N 2.89Å; E261-V264 PolarHBondContact O-N 2.8Å; E261-T265 VanDerWaalsContact O-CB 3.28Å; E261-T265 WeakPolarHBondContact O-CB 3.25Å; E261-T265 PolarHBondContact O-N 2.54Å; E261-T265 PolarHBondContact O-OG1 2.9Å; E261-I295 HydrophobicContact CG-CB 3.97Å; E261-I295 HydrophobicContact CG-CG2 3.75Å; E261-C297 HydrophobicContact CG-CB 4.26Å; E261-C297 WeakPolarHBondContact OE1-CA 2.88Å; E261-C297 WeakPolarHBondContact OE1-CB 3.1Å; E261-C297 PolarHBondContact OE1-N 3.16Å; E261-L304 HydrophobicContact CB-CD1 4.09Å
262	A	79.9	Confident	77.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-38.9	173.2	0	0	0	0	0	112.4	G258 Q260 T265 C266 A274 V277 V325	G258-A262 WeakPolarHBondContact O-CB 3.36Å; G258-A262 PolarHBondContact O-N 2.83Å; G258-A262 VanDerWaalsContact O-N 3.08Å; Q260-A262 VanDerWaalsContact C-N 3.32Å; Q260-A262 PolarHBondContact O-N 3.31Å; A262-T265 PolarHBondContact O-N 2.91Å; A262-C266 VanDerWaalsContact O-CB 3.32Å; A262-C266 WeakPolarHBondContact O-CB 3.49Å; A262-C266 PolarHBondContact O-N 2.89Å; A262-C266 PolarHBondContact O-SG 2.73Å; A262-A274 HydrophobicContact CB-CB 3.66Å; A262-V277 HydrophobicContact CB-CG1 3.57Å; A262-V325 HydrophobicContact CB-CG2 3.66Å
263	A	69.7	Low	76	Confident	32 Å²	32	30.4 Å²	30.4	26%	0.264	16%	0.156	S	C	.	.	H	α-helix	trans	-66.6	-41.6	178.1	0	0	0	0	0	111.6	M259 Q260 E261 R267 A274	M259-A263 VanDerWaalsContact O-CB 3.29Å; M259-A263 WeakPolarHBondContact O-CB 3.22Å; M259-A263 PolarHBondContact O-N 2.56Å; Q260-A263 WeakPolarHBondContact O-CB 3.29Å; Q260-A263 PolarHBondContact O-N 3.24Å; Q260-A263 VanDerWaalsContact O-N 3.12Å; E261-A263 VanDerWaalsContact C-N 3.32Å; E261-A263 PolarHBondContact O-N 2.89Å; A263-R267 VanDerWaalsContact O-CB 3.23Å; A263-R267 WeakPolarHBondContact O-CB 3.47Å; A263-R267 PolarHBondContact O-N 2.91Å; A263-A274 HydrophobicContact CB-CB 4.49Å
264	V	79.7	Confident	74.8	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-47.8	172.7	177.4	0	0	0	0	110.1	Q260 E261 C266 R267 E268 C297 E301 L304	Q260-V264 WeakPolarHBondContact O-CG2 3.46Å; Q260-V264 PolarHBondContact O-N 3.35Å; E261-V264 PolarHBondContact O-N 2.8Å; V264-C266 PolarHBondContact O-N 2.86Å; V264-R267 PolarHBondContact O-N 3.43Å; V264-E268 WeakPolarHBondContact O-CB 3.36Å; V264-E268 PolarHBondContact O-N 3.18Å; V264-C297 HydrophobicContact CG2-CB 4.07Å; V264-E301 HydrophobicContact CG1-CB 4.18Å; V264-E301 HydrophobicContact CG2-CB 4.01Å; V264-E301 WeakPolarHBondContact CG2-OE2 3.25Å; V264-L304 HydrophobicContact CG1-CB 4.39Å
265	T	84.8	Confident	74	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-50.4	178.3	-62.5	0	0	0	0	112.4	I228 L230 V241 W257 E261 A262 R267 E268 M269 V325	I228-T265 HydrophobicContact CD1-CG2 3.76Å; L230-T265 HydrophobicContact CD2-CG2 4.18Å; V241-T265 HydrophobicContact CG1-CG2 4.08Å; V241-T265 HydrophobicContact CG2-CG2 4.03Å; W257-T265 WeakPolarHBondContact CH2-OG1 3.32Å; E261-T265 VanDerWaalsContact O-CB 3.28Å; E261-T265 WeakPolarHBondContact O-CB 3.25Å; E261-T265 PolarHBondContact O-N 2.54Å; E261-T265 PolarHBondContact O-OG1 2.9Å; A262-T265 PolarHBondContact O-N 2.91Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact O-N 2.77Å; T265-E268 PolarHBondContact O-N 3.17Å; T265-M269 WeakPolarHBondContact O-CB 3.39Å; T265-M269 WeakPolarHBondContact O-CG 3.4Å; T265-M269 PolarHBondContact O-N 3.1Å; T265-V325 HydrophobicContact CG2-CB 4.49Å; T265-V325 HydrophobicContact CG2-CG1 3.85Å
266	C	78.4	Confident	73.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.4	-33.1	179.1	-68.7	0	0	0	0	112.1	A262 V264 N270 C271 G272 V325 C327	A262-C266 VanDerWaalsContact O-CB 3.32Å; A262-C266 WeakPolarHBondContact O-CB 3.49Å; A262-C266 PolarHBondContact O-N 2.89Å; A262-C266 PolarHBondContact O-SG 2.73Å; V264-C266 PolarHBondContact O-N 2.86Å; C266-N270 PolarHBondContact O-N 3.02Å; C266-C271 PolarHBondContact O-N 2.82Å; C266-G272 WeakPolarHBondContact CB-O 3.39Å; C266-V325 VanDerWaalsContact SG-CG2 3.6Å; C266-C327 WeakPolarHBondContact CA-SG 3.04Å; C266-C327 HydrophobicContact CB-CB 3.77Å; C266-C327 WeakPolarHBondContact CB-SG 3.43Å; C266-C327 WeakPolarHBondContact SG-CB 3.38Å; C266-C327 CovalentContact SG-SG 2.03Å; C266-C327 PolarHBondContact SG-SG 2.96Å
267	R	78.6	Confident	73.1	Confident	106 Å²	106	26.4 Å²	26.4	40%	0.4	15%	0.146	S	C	.	.	H	α-helix	trans	-70	-46.4	174.1	179.1	170	60.6	-133.5	-6.6	111.6	A263 V264 T265 M269 N270 G299 H300 E301	A263-R267 VanDerWaalsContact O-CB 3.23Å; A263-R267 WeakPolarHBondContact O-CB 3.47Å; A263-R267 PolarHBondContact O-N 2.91Å; V264-R267 PolarHBondContact O-N 3.43Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact O-N 2.77Å; R267-M269 VanDerWaalsContact C-N 3.33Å; R267-M269 PolarHBondContact O-N 3.41Å; R267-N270 WeakPolarHBondContact O-CA 3.3Å; R267-N270 PolarHBondContact O-N 3.19Å; R267-G299 PolarHBondContact NH1-O 3Å; R267-G299 PolarHBondContact NH2-O 3.43Å; R267-H300 VanDerWaalsContact NH2-CA 3.35Å; R267-E301 PolarHBondContact NH2-O 2.98Å
268	E	79.4	Confident	72.8	Confident	36 Å²	36	29 Å²	29	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-41.4	178.5	-173.7	178	164.5	0	0	111.2	I228 V264 T265 N270 S303 L304	I228-E268 HydrophobicContact CD1-CB 3.9Å; I228-E268 HydrophobicContact CD1-CG 4.03Å; I228-E268 HydrophobicContact CG1-CB 4.42Å; I228-E268 HydrophobicContact CG1-CG 4.06Å; I228-E268 PolarHBondContact N-OE1 3.07Å; V264-E268 WeakPolarHBondContact O-CB 3.36Å; V264-E268 PolarHBondContact O-N 3.18Å; T265-E268 PolarHBondContact O-N 3.17Å; E268-N270 PolarHBondContact O-N 3.16Å; E268-S303 WeakPolarHBondContact OE2-CA 3.3Å; E268-S303 WeakPolarHBondContact OE2-CB 3.45Å; E268-L304 PolarHBondContact OE2-N 3.25Å
269	M	73	Confident	73.6	Confident	51 Å²	51	33.4 Å²	33.4	25%	0.251	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.6	173.8	-69	-60.8	-68.7	0	0	114.1	I228 L230 T265 R267 C271	I228-M269 HydrophobicContact CD1-CG 3.93Å; I228-M269 HydrophobicContact CD1-SD 4.4Å; I228-M269 HydrophobicContact CG1-CG 3.85Å; I228-M269 HydrophobicContact CG1-SD 3.65Å; I228-M269 VanDerWaalsContact O-SD 3.32Å; L230-M269 HydrophobicContact CD1-CG 4.42Å; L230-M269 HydrophobicContact CG-CE 4.22Å; L230-M269 HydrophobicContact CG-CG 4.26Å; T265-M269 WeakPolarHBondContact O-CB 3.39Å; T265-M269 WeakPolarHBondContact O-CG 3.4Å; T265-M269 PolarHBondContact O-N 3.1Å; R267-M269 VanDerWaalsContact C-N 3.33Å; R267-M269 PolarHBondContact O-N 3.41Å; M269-C271 HydrophobicContact CB-CB 4.18Å; M269-C271 PolarHBondContact O-N 3.05Å; M269-C271 PolarHBondContact O-SG 2.98Å
270	N	66	Low	74.3	Confident	77 Å²	77	40.2 Å²	40.2	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	43.9	-174.8	-171.8	33.9	0	0	0	112.4	C266 R267 E268 W352	C266-N270 PolarHBondContact O-N 3.02Å; R267-N270 WeakPolarHBondContact O-CA 3.3Å; R267-N270 PolarHBondContact O-N 3.19Å; E268-N270 PolarHBondContact O-N 3.16Å; N270-W352 PolarHBondContact OD1-NE1 3.45Å; N270-W352 VanDerWaalsContact OD1-NE1 3.12Å
271	C	69.5	Low	75.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.193	C	C	.	.			trans	-109.6	13.4	-174.4	-83.2	0	0	0	0	113.3	C237 C266 M269 C327 S328 E329	C237-C271 WeakPolarHBondContact CA-SG 3.29Å; C237-C271 HydrophobicContact CB-CB 3.57Å; C237-C271 WeakPolarHBondContact CB-SG 3.23Å; C237-C271 VanDerWaalsContact SG-CA 3.55Å; C237-C271 WeakPolarHBondContact SG-CB 3.32Å; C237-C271 CovalentContact SG-SG 2.04Å; C237-C271 PolarHBondContact SG-SG 3.49Å; C266-C271 PolarHBondContact O-N 2.82Å; M269-C271 HydrophobicContact CB-CB 4.18Å; M269-C271 PolarHBondContact O-N 3.05Å; M269-C271 PolarHBondContact O-SG 2.98Å; C271-C327 HydrophobicContact CB-CB 3.64Å; C271-C327 VanDerWaalsContact O-CB 3.3Å; C271-C327 WeakPolarHBondContact O-CB 2.98Å; C271-S328 PolarHBondContact O-OG 3.29Å; C271-E329 VanDerWaalsContact O-CA 3.32Å; C271-E329 WeakPolarHBondContact O-CA 3.23Å; C271-E329 PolarHBondContact O-N 3.43Å
272	G	70.9	Confident	75.3	Confident	12 Å²	12	44.3 Å²	44.3	12%	0.124	22%	0.218	C	C	.	.			trans	81.8	-143.7	178.1	0	0	0	0	0	113.3	C266	C266-G272 WeakPolarHBondContact CB-O 3.39Å
273	N	67.5	Low	75.5	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-84.2	148	-177.3	-67.5	4.3	0	0	0	110.7	L275 C327 S328 L333 S339 L372	N273-L275 PolarHBondContact O-N 3Å; N273-C327 CarbonylContact O-C 3.5Å; N273-C327 WeakPolarHBondContact O-CA 3.45Å; N273-S328 PolarHBondContact N-OG 3.41Å; N273-S328 PolarHBondContact O-N 2.02Å; N273-S328 PolarHBondContact O-OG 3.23Å; N273-L333 PolarHBondContact OD1-N 3.45Å; N273-S339 PolarHBondContact ND2-O 2.78Å; N273-L372 HydrophobicContact CB-CD2 4.37Å
274	A	67.6	Low	76.3	Confident	13 Å²	13	45.7 Å²	45.7	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.6	168.5	0	0	0	0	0	110.5	M259 A262 A263	M259-A274 HydrophobicContact CE-CB 3.86Å; M259-A274 WeakPolarHBondContact CE-O 3.31Å; A262-A274 HydrophobicContact CB-CB 3.66Å; A263-A274 HydrophobicContact CB-CB 4.49Å
275	L	68.3	Low	76.7	Confident	42 Å²	42	52 Å²	52	22%	0.22	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-35.5	178.4	-63.2	-175.7	0	0	0	112.3	N273 V326 L372	N273-L275 PolarHBondContact O-N 3Å; L275-V326 HydrophobicContact CB-CG1 4.44Å; L275-V326 WeakPolarHBondContact CB-O 3.32Å; L275-V326 PolarHBondContact N-O 2.91Å; L275-L372 HydrophobicContact CD2-CD2 4.47Å
276	A	65.4	Low	76.6	Confident	30 Å²	30	52.1 Å²	52.1	25%	0.248	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	150.1	177.6	0	0	0	0	0	111.4	V326	A276-V326 HydrophobicContact CB-CB 4.28Å; A276-V326 HydrophobicContact CB-CG2 4.47Å; A276-V326 PolarHBondContact N-O 3.32Å; A276-V326 PolarHBondContact O-N 3.44Å
277	V	74.3	Confident	76.4	Confident	20 Å²	20	60 Å²	60	12%	0.121	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	154.2	162.9	-74	0	0	0	0	110.8	G258 M259 A262 Y279	G258-V277 VanDerWaalsContact O-CG1 3.26Å; G258-V277 WeakPolarHBondContact O-CG1 3.47Å; M259-V277 HydrophobicContact SD-CG1 4.24Å; M259-V277 HydrophobicContact SD-CG2 4.45Å; A262-V277 HydrophobicContact CB-CG1 3.57Å; V277-Y279 HydrophobicContact CG2-CE1 4.25Å; V277-Y279 HydrophobicContact CG2-CE2 3.99Å; V277-Y279 WeakPolarHBondContact CG2-OH 3.36Å
278	K	75.4	Confident	76.1	Confident	61 Å²	61	59.3 Å²	59.3	27%	0.265	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140	175.2	-62	-63	176	-167.4	0	109.5	F282 Y283 G324 V326	K278-F282 HydrophobicContact CB-CB 3.76Å; K278-F282 HydrophobicContact CB-CD1 4.17Å; K278-F282 HydrophobicContact CB-CG 4.06Å; K278-F282 HydrophobicContact CD-CD1 3.9Å; K278-F282 HydrophobicContact CD-CD2 4.22Å; K278-F282 HydrophobicContact CD-CE1 4.13Å; K278-F282 HydrophobicContact CD-CE2 4.44Å; K278-F282 HydrophobicContact CD-CG 3.95Å; K278-F282 HydrophobicContact CD-CZ 4.4Å; K278-F282 HydrophobicContact CG-CB 4.33Å; K278-F282 HydrophobicContact CG-CD1 3.82Å; K278-F282 HydrophobicContact CG-CE1 4.36Å; K278-F282 HydrophobicContact CG-CG 4.09Å; K278-Y283 HydrophobicContact CB-CD2 4.49Å; K278-Y283 HydrophobicContact CB-CE2 4.15Å; K278-Y283 HydrophobicContact CG-CD2 4.48Å; K278-Y283 HydrophobicContact CG-CE2 3.71Å; K278-G324 PolarHBondContact N-O 3.31Å; K278-G324 PolarHBondContact O-N 2.91Å; K278-V326 HydrophobicContact CG-CG2 4.47Å
279	Y	82.3	Confident	76.2	Confident	109 Å²	109	61 Å²	61	43%	0.427	30%	0.3	S	S	.	.			trans	-117.3	172.3	-176.6	-49	-77.9	0	0	0	109.7	D254 W257 V277 A281 F282	D254-Y279 HydrophobicContact CB-CD1 4.05Å; D254-Y279 WeakPolarHBondContact OD2-CA 3.49Å; D254-Y279 VanDerWaalsContact OD2-CB 3.28Å; D254-Y279 WeakPolarHBondContact OD2-CB 3.23Å; W257-Y279 WeakPolarHBondContact O-CE1 3.3Å; V277-Y279 HydrophobicContact CG2-CE1 4.25Å; V277-Y279 HydrophobicContact CG2-CE2 3.99Å; V277-Y279 WeakPolarHBondContact CG2-OH 3.36Å; Y279-A281 VanDerWaalsContact C-N 3.33Å; Y279-A281 PolarHBondContact O-N 3.24Å; Y279-F282 WeakPolarHBondContact O-CB 3.42Å; Y279-F282 PolarHBondContact O-N 3.28Å
280	K	82.1	Confident	77	Confident	177 Å²	177	58.8 Å²	58.8	77%	0.77	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	42.4	168.6	-62.1	-177.3	178.2	179.3	0	113.4	D254 F282 H320	D254-K280 PolarHBondContact OD2-N 2.97Å; K280-F282 VanDerWaalsContact C-N 3.25Å; K280-F282 PolarHBondContact O-N 3.33Å; K280-H320 CarbonylContact C-O 3.48Å; K280-H320 WeakPolarHBondContact CA-O 3.23Å
281	A	85.9	Confident	78.1	Confident	11 Å²	11	56.2 Å²	56.2	9%	0.091	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	42.4	-179.1	0	0	0	0	0	113.4	Y279 Y283 G284 R285 H319 H320 D322	Y279-A281 VanDerWaalsContact C-N 3.33Å; Y279-A281 PolarHBondContact O-N 3.24Å; A281-Y283 PolarHBondContact O-N 3.05Å; A281-Y283 VanDerWaalsContact O-N 3.12Å; A281-G284 WeakPolarHBondContact O-CA 3.48Å; A281-G284 PolarHBondContact O-N 2.91Å; A281-R285 HydrophobicContact CB-CG 3.86Å; A281-H319 WeakPolarHBondContact CB-O 3.36Å; A281-H320 PolarHBondContact N-O 3.12Å; A281-D322 WeakPolarHBondContact CA-O 3.38Å; A281-D322 HydrophobicContact CB-CB 4.26Å; A281-D322 PolarHBondContact N-O 3.27Å
282	F	83.6	Confident	79	Confident	126 Å²	126	56.2 Å²	56.2	55%	0.553	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-37.2	-178.5	-179.3	-93.5	0	0	0	113.8	K278 Y279 K280 G284	K278-F282 HydrophobicContact CB-CB 3.76Å; K278-F282 HydrophobicContact CB-CD1 4.17Å; K278-F282 HydrophobicContact CB-CG 4.06Å; K278-F282 HydrophobicContact CD-CD1 3.9Å; K278-F282 HydrophobicContact CD-CD2 4.22Å; K278-F282 HydrophobicContact CD-CE1 4.13Å; K278-F282 HydrophobicContact CD-CE2 4.44Å; K278-F282 HydrophobicContact CD-CG 3.95Å; K278-F282 HydrophobicContact CD-CZ 4.4Å; K278-F282 HydrophobicContact CG-CB 4.33Å; K278-F282 HydrophobicContact CG-CD1 3.82Å; K278-F282 HydrophobicContact CG-CE1 4.36Å; K278-F282 HydrophobicContact CG-CG 4.09Å; Y279-F282 WeakPolarHBondContact O-CB 3.42Å; Y279-F282 PolarHBondContact O-N 3.28Å; K280-F282 VanDerWaalsContact C-N 3.25Å; K280-F282 PolarHBondContact O-N 3.33Å; F282-G284 VanDerWaalsContact C-N 3.25Å; F282-G284 PolarHBondContact O-N 2.94Å
283	Y	83.4	Confident	79.9	Confident	30 Å²	30	55.6 Å²	55.6	12%	0.118	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	19.1	178	-68.3	-67.3	0	0	0	113.2	N232 R240 K278 A281 V326	N232-Y283 WeakPolarHBondContact CB-O 3.43Å; N232-Y283 PolarHBondContact ND2-O 3.41Å; N232-Y283 VanDerWaalsContact O-CD1 3.27Å; N232-Y283 WeakPolarHBondContact O-CD1 3.32Å; R240-Y283 PolarHBondContact NH1-O 3.02Å; K278-Y283 HydrophobicContact CB-CD2 4.49Å; K278-Y283 HydrophobicContact CB-CE2 4.15Å; K278-Y283 HydrophobicContact CG-CD2 4.48Å; K278-Y283 HydrophobicContact CG-CE2 3.71Å; A281-Y283 PolarHBondContact O-N 3.05Å; A281-Y283 VanDerWaalsContact O-N 3.12Å; Y283-V326 WeakPolarHBondContact OH-CG2 3.32Å
284	G	85.7	Confident	80.6	Confident	31 Å²	31	55.4 Å²	55.4	32%	0.32	27%	0.266	S	S	.	.			trans	85.1	160.8	-172.7	0	0	0	0	0	112.2	R240 A281 F282	R240-G284 WeakPolarHBondContact CD-O 3.38Å; R240-G284 PolarHBondContact NH1-O 3.17Å; A281-G284 WeakPolarHBondContact O-CA 3.48Å; A281-G284 PolarHBondContact O-N 2.91Å; F282-G284 VanDerWaalsContact C-N 3.25Å; F282-G284 PolarHBondContact O-N 2.94Å
285	R	89.3	Confident	81.3	Confident	133 Å²	133	54.9 Å²	54.9	50%	0.502	26%	0.262	S	S	.	.			trans	-78	143.9	-177.4	-57.3	-166.4	-169.2	164.5	4.4	111.8	A281 H319 H320	A281-R285 HydrophobicContact CB-CG 3.86Å; R285-H319 HydrophobicContact CB-CB 3.96Å; R285-H319 HydrophobicContact CG-CB 4.44Å; R285-H319 VanDerWaalsContact CG-O 3.28Å; R285-H319 WeakPolarHBondContact CG-O 3.26Å; R285-H320 VanDerWaalsContact CZ-CE1 3.48Å; R285-H320 PolarHBondContact NH1-CE1 2.82Å; R285-H320 PolarHBondContact NH1-NE2 2.9Å; R285-H320 PolarHBondContact NH2-CD2 3.42Å; R285-H320 PolarHBondContact NH2-NE2 3Å
286	G	81.9	Confident	81.7	Confident	2 Å²	2	56.8 Å²	56.8	2%	0.021	27%	0.272	C	S	.	.			trans	-63.8	170.8	162.9	0	0	0	0	0	111.5	D322	G286-D322 WeakPolarHBondContact CA-OD2 3.19Å; G286-D322 PolarHBondContact N-OD2 2.82Å
287	Q	73.8	Confident	82	Confident	166 Å²	166	55.5 Å²	55.5	78%	0.776	26%	0.261	S	S	*	.	S	Bend	trans	-129.9	-1.6	179.6	-59.8	-67.7	-71.1	0	0	111.9
288	D	72	Confident	81.1	Confident	91 Å²	91	59 Å²	59	49%	0.487	28%	0.283	S	S	.	.	S	Bend	trans	-125.8	-175.6	-167.4	-58.4	-53.8	0	0	0	109.8	W249 H319	W249-D288 WeakPolarHBondContact O-CB 3.44Å; D288-H319 PolarHBondContact O-CE1 2.81Å; D288-H319 PolarHBondContact O-NE2 3.49Å
289	Q	83.3	Confident	80.1	Confident	71 Å²	71	56.7 Å²	56.7	33%	0.332	28%	0.276	S	S	.	.			trans	-54.5	145.8	-179.2	-177.4	58.5	39.2	0	0	113.9	G250 T251 W291 H315	G250-Q289 CarbonylContact C-O 3.53Å; G250-Q289 VanDerWaalsContact C-O 3.31Å; G250-Q289 WeakPolarHBondContact CA-O 3.49Å; T251-Q289 PolarHBondContact N-O 3.05Å; Q289-W291 HydrophobicContact CB-CD2 4.32Å; Q289-W291 HydrophobicContact CB-CH2 4.32Å; Q289-W291 HydrophobicContact CB-CZ2 4.01Å; Q289-W291 HydrophobicContact CG-CD2 3.78Å; Q289-W291 HydrophobicContact CG-CE3 3.65Å; Q289-W291 HydrophobicContact CG-CH2 3.78Å; Q289-W291 HydrophobicContact CG-CZ2 3.91Å; Q289-W291 HydrophobicContact CG-CZ3 3.65Å; Q289-H315 PolarHBondContact NE2-CD2 3.32Å; Q289-H315 PolarHBondContact NE2-NE2 3.44Å
290	V	88.4	Confident	79	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.1	162.3	-175.4	0	0	0	0	107.3	T251 C253 H315	T251-V290 CarbonylContact O-C 3.58Å; C253-V290 HydrophobicContact CB-CG1 4.15Å; V290-H315 HydrophobicContact CG1-CB 4.31Å; V290-H315 PolarHBondContact O-CD2 3.02Å
291	W	90	Very high	78.7	Confident	24 Å²	24	51.9 Å²	51.9	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-33.1	-173.2	-81.8	136.5	0	0	0	114.1	V243 Y245 Q248 T251 Q289 F312 G313	V243-W291 VanDerWaalsContact O-CD1 3.27Å; Y245-W291 HydrophobicContact CD1-CD2 4.03Å; Y245-W291 AromaticContact CD1-CE3 3.66Å; Y245-W291 HydrophobicContact CD1-CE3 3.66Å; Y245-W291 HydrophobicContact CD1-CH2 4.24Å; Y245-W291 AromaticContact CD1-CZ3 3.78Å; Y245-W291 HydrophobicContact CD1-CZ3 3.78Å; Y245-W291 HydrophobicContact CE1-CE3 4.46Å; Y245-W291 HydrophobicContact CE1-CZ3 4.32Å; Q248-W291 HydrophobicContact CB-CZ2 4.18Å; Q248-W291 PolarHBondContact O-NE1 2.9Å; T251-W291 PolarHBondContact O-N 2.66Å; Q289-W291 HydrophobicContact CB-CD2 4.32Å; Q289-W291 HydrophobicContact CB-CH2 4.32Å; Q289-W291 HydrophobicContact CB-CZ2 4.01Å; Q289-W291 HydrophobicContact CG-CD2 3.78Å; Q289-W291 HydrophobicContact CG-CE3 3.65Å; Q289-W291 HydrophobicContact CG-CH2 3.78Å; Q289-W291 HydrophobicContact CG-CZ2 3.91Å; Q289-W291 HydrophobicContact CG-CZ3 3.65Å; W291-F312 HydrophobicContact CB-CD1 4.25Å; W291-F312 HydrophobicContact CE3-CB 4.46Å; W291-F312 CarbonylContact O-C 3.53Å; W291-F312 VanDerWaalsContact O-CA 3.22Å; W291-F312 WeakPolarHBondContact O-CA 3.45Å; W291-G313 PolarHBondContact O-N 3.47Å
292	L	88.3	Confident	77.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.9	-176.2	-66.8	176.4	0	0	0	109.5	V243 V252 C253 I295 L304 H309 F312	V243-L292 HydrophobicContact CB-CD1 4.38Å; V243-L292 HydrophobicContact CG1-CD1 4.36Å; V243-L292 HydrophobicContact CG2-CD1 3.73Å; V252-L292 WeakPolarHBondContact CA-O 3.28Å; V252-L292 HydrophobicContact CG1-CB 4.38Å; V252-L292 HydrophobicContact CG2-CB 4.3Å; C253-L292 PolarHBondContact N-O 2.82Å; L292-I295 HydrophobicContact CB-CD1 3.54Å; L292-I295 HydrophobicContact CB-CG1 3.88Å; L292-I295 HydrophobicContact CD1-CD1 3.77Å; L292-I295 HydrophobicContact CG-CD1 4.27Å; L292-L304 HydrophobicContact CD1-CG 4.4Å; L292-H309 HydrophobicContact CD2-CB 4.27Å; L292-F312 HydrophobicContact CD1-CE1 4.3Å; L292-F312 HydrophobicContact CD1-CZ 4.48Å; L292-F312 HydrophobicContact CD2-CD1 3.8Å; L292-F312 HydrophobicContact CD2-CD2 4.27Å; L292-F312 HydrophobicContact CD2-CE1 3.56Å; L292-F312 HydrophobicContact CD2-CE2 3.99Å; L292-F312 HydrophobicContact CD2-CG 4.15Å; L292-F312 HydrophobicContact CD2-CZ 3.65Å; L292-F312 HydrophobicContact CG-CD1 4.3Å; L292-F312 HydrophobicContact CG-CE1 3.95Å; L292-F312 HydrophobicContact CG-CZ 4.37Å
293	D	89.5	Confident	77.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.			trans	-140.8	152.4	178.9	177.3	30.1	0	0	0	108.9	C253 I295 R310 H315 C317	C253-D293 HydrophobicContact CB-CB 4.09Å; D293-I295 PolarHBondContact O-N 3.12Å; D293-R310 PolarHBondContact O-N 3.29Å; D293-R310 WeakPolarHBondContact OD2-CD 3.34Å; D293-R310 IonicContact OD2-CZ 2.79Å; D293-R310 IonicContact OD2-NE 3.31Å; D293-R310 IonicContact OD2-NH1 2.73Å; D293-R310 PolarHBondContact OD2-NH1 3.04Å; D293-H315 HydrophobicContact CB-CB 3.5Å; D293-H315 VanDerWaalsContact CB-CB 3.5Å; D293-H315 WeakPolarHBondContact OD2-CA 3.28Å; D293-C317 PolarHBondContact OD1-SG 3.38Å; D293-C317 VanDerWaalsContact OD1-SG 3.36Å
294	D	82.8	Confident	77.2	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.123	27%	0.265	C	S	.	.	S	Bend	trans	56.4	39	176	-111.1	3.3	0	0	0	112	K256 D296 R310	K256-D294 HydrophobicContact CD-CB 4.32Å; K256-D294 WeakPolarHBondContact CD-OD1 3.01Å; K256-D294 WeakPolarHBondContact CE-OD1 3.48Å; K256-D294 WeakPolarHBondContact CG-OD1 3.44Å; K256-D294 IonicContact NZ-OD1 2.84Å; K256-D294 PolarHBondContact NZ-OD1 3.19Å; K256-D294 IonicContact NZ-OD2 2.74Å; K256-D294 PolarHBondContact NZ-OD2 3.38Å; D294-D296 PolarHBondContact O-N 2.78Å; D294-R310 HydrophobicContact CB-CG 3.71Å; D294-R310 VanDerWaalsContact CG-NE 3.32Å; D294-R310 IonicContact OD1-NH2 2.67Å; D294-R310 IonicContact OD2-CZ 3.66Å; D294-R310 IonicContact OD2-NE 3.82Å; D294-R310 PolarHBondContact OD2-NE 3.22Å; D294-R310 IonicContact OD2-NH2 3.12Å; D294-R310 PolarHBondContact OD2-NH2 2.81Å
295	I	81.5	Confident	77	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.254	C	S	.	.			trans	-69.8	124.2	-176.9	-50.5	-177.8	0	0	0	109.6	V252 W257 E261 L292 D293 L304 C307 P308 H309	V252-I295 HydrophobicContact CG1-CD1 3.39Å; V252-I295 HydrophobicContact CG1-CG1 4.35Å; W257-I295 HydrophobicContact CE3-CD1 4.42Å; W257-I295 HydrophobicContact CZ3-CD1 4.15Å; E261-I295 HydrophobicContact CG-CB 3.97Å; E261-I295 HydrophobicContact CG-CG2 3.75Å; L292-I295 HydrophobicContact CB-CD1 3.54Å; L292-I295 HydrophobicContact CB-CG1 3.88Å; L292-I295 HydrophobicContact CD1-CD1 3.77Å; L292-I295 HydrophobicContact CG-CD1 4.27Å; D293-I295 PolarHBondContact O-N 3.12Å; I295-L304 HydrophobicContact CD1-CD1 4.17Å; I295-L304 HydrophobicContact CD1-CD2 4.27Å; I295-L304 HydrophobicContact CD1-CG 4.09Å; I295-L304 HydrophobicContact CG2-CD1 4.19Å; I295-C307 HydrophobicContact CG2-CB 3.56Å; I295-P308 WeakPolarHBondContact CA-O 3.44Å; I295-H309 HydrophobicContact CG1-CB 4.31Å
296	D	77.4	Confident	76.4	Confident	82 Å²	82	50.1 Å²	50.1	44%	0.439	25%	0.252	S	S	.	.			trans	-126.4	77.5	-177.3	-174.7	22.2	0	0	0	110.9	D294 P308	D294-D296 PolarHBondContact O-N 2.78Å; D296-P308 HydrophobicContact CB-CB 4.48Å; D296-P308 PolarHBondContact N-O 2.76Å; D296-P308 VanDerWaalsContact O-CD 3.22Å; D296-P308 WeakPolarHBondContact O-CD 3.35Å; D296-P308 WeakPolarHBondContact O-CG 3.37Å
297	C	72.1	Confident	76.1	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.02	25%	0.253	C	S	.	.			trans	-78.3	146.5	178	-57	0	0	0	0	112	Q260 E261 V264 G299 C307	Q260-C297 HydrophobicContact CB-CB 4.23Å; Q260-C297 VanDerWaalsContact CB-O 3.29Å; Q260-C297 WeakPolarHBondContact CB-O 3.45Å; E261-C297 HydrophobicContact CG-CB 4.26Å; E261-C297 WeakPolarHBondContact OE1-CA 2.88Å; E261-C297 WeakPolarHBondContact OE1-CB 3.1Å; E261-C297 PolarHBondContact OE1-N 3.16Å; V264-C297 HydrophobicContact CG2-CB 4.07Å; C297-G299 VanDerWaalsContact C-N 3.3Å; C297-C307 HydrophobicContact CB-CB 3.95Å; C297-C307 WeakPolarHBondContact CB-SG 3.21Å; C297-C307 WeakPolarHBondContact SG-CB 3.31Å; C297-C307 CovalentContact SG-SG 2.02Å; C297-C307 PolarHBondContact SG-SG 3.39Å
298	T	55.1	Low	76.1	Confident	95 Å²	95	46 Å²	46	58%	0.583	24%	0.24	S	C	*	.			trans	-77.4	-16.7	165.1	66.9	0	0	0	0	112.9	E301	T298-E301 WeakPolarHBondContact CA-OE1 3.08Å; T298-E301 VanDerWaalsContact CB-OE1 3.27Å; T298-E301 WeakPolarHBondContact CB-OE1 3.47Å; T298-E301 WeakPolarHBondContact CG2-OE1 3.49Å; T298-E301 VanDerWaalsContact N-CD 3.3Å; T298-E301 PolarHBondContact N-OE1 3.17Å; T298-E301 PolarHBondContact N-OE2 2.68Å; T298-E301 PolarHBondContact OG1-OE1 3.28Å; T298-E301 PolarHBondContact OG1-OE2 2.82Å
299	G	53.5	Low	76.6	Confident	11 Å²	11	44.1 Å²	44.1	11%	0.113	23%	0.228	C	C	.	.	S	Bend	trans	94.6	-2.6	-176.7	0	0	0	0	0	113.9	R267 C297 E301	R267-G299 PolarHBondContact NH1-O 3Å; R267-G299 PolarHBondContact NH2-O 3.43Å; C297-G299 VanDerWaalsContact C-N 3.3Å; G299-E301 PolarHBondContact N-OE2 2.9Å
300	H	58.9	Low	76.1	Confident	160 Å²	160	45.7 Å²	45.7	74%	0.741	23%	0.231	S	C	*	.			trans	-110.4	-3.2	-178.3	-64.6	-54.7	0	0	0	114.1	R267	R267-H300 VanDerWaalsContact NH2-CA 3.35Å
301	E	75.6	Confident	74.9	Confident	25 Å²	25	46.4 Å²	46.4	12%	0.117	24%	0.239	C	C	.	.			trans	-61.3	145.8	179.6	-65.8	78	-167.8	0	0	112.1	V264 R267 T298 G299 D306 C307	V264-E301 HydrophobicContact CG1-CB 4.18Å; V264-E301 HydrophobicContact CG2-CB 4.01Å; V264-E301 WeakPolarHBondContact CG2-OE2 3.25Å; R267-E301 PolarHBondContact NH2-O 2.98Å; T298-E301 WeakPolarHBondContact CA-OE1 3.08Å; T298-E301 VanDerWaalsContact CB-OE1 3.27Å; T298-E301 WeakPolarHBondContact CB-OE1 3.47Å; T298-E301 WeakPolarHBondContact CG2-OE1 3.49Å; T298-E301 VanDerWaalsContact N-CD 3.3Å; T298-E301 PolarHBondContact N-OE1 3.17Å; T298-E301 PolarHBondContact N-OE2 2.68Å; T298-E301 PolarHBondContact OG1-OE1 3.28Å; T298-E301 PolarHBondContact OG1-OE2 2.82Å; G299-E301 PolarHBondContact N-OE2 2.9Å; E301-D306 HydrophobicContact CB-CB 4.34Å; E301-C307 HydrophobicContact CG-CB 4.43Å
302	K	64.8	Low	74.2	Confident	184 Å²	184	46.9 Å²	46.9	80%	0.8	24%	0.242	S	C	*	.	S	Bend	trans	-75.8	-35.2	-176.1	-70	-179	-178.8	174.1	0	112.4
303	S	74.9	Confident	73.7	Confident	11 Å²	11	48 Å²	48	8%	0.077	25%	0.253	C	S	.	.	S	Bend	trans	-133.9	157.6	173.7	68.7	0	0	0	0	110.8	E268 S305 D306	E268-S303 WeakPolarHBondContact OE2-CA 3.3Å; E268-S303 WeakPolarHBondContact OE2-CB 3.45Å; S303-S305 PolarHBondContact O-N 3.11Å; S303-D306 PolarHBondContact N-OD2 2.74Å; S303-D306 WeakPolarHBondContact O-CB 3.2Å; S303-D306 PolarHBondContact O-N 2.64Å; S303-D306 PolarHBondContact OG-N 3.45Å; S303-D306 PolarHBondContact OG-OD1 2.95Å; S303-D306 PolarHBondContact OG-OD2 3.12Å
304	L	83.4	Confident	73.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.4	-28.6	176.4	-171.6	65.2	0	0	0	111.6	I228 V241 V243 V252 W257 E261 V264 E268 L292 I295 D306 C307	I228-L304 HydrophobicContact CG2-CB 4.21Å; I228-L304 HydrophobicContact CG2-CD2 4.41Å; V241-L304 HydrophobicContact CG1-CD2 3.85Å; V243-L304 HydrophobicContact CG2-CD2 4.05Å; V252-L304 HydrophobicContact CG2-CD2 4.18Å; W257-L304 HydrophobicContact CH2-CD1 4.25Å; W257-L304 HydrophobicContact CH2-CD2 4.05Å; W257-L304 HydrophobicContact CZ3-CD1 3.92Å; W257-L304 HydrophobicContact CZ3-CD2 3.96Å; E261-L304 HydrophobicContact CB-CD1 4.09Å; V264-L304 HydrophobicContact CG1-CB 4.39Å; E268-L304 PolarHBondContact OE2-N 3.25Å; L292-L304 HydrophobicContact CD1-CG 4.4Å; I295-L304 HydrophobicContact CD1-CD1 4.17Å; I295-L304 HydrophobicContact CD1-CD2 4.27Å; I295-L304 HydrophobicContact CD1-CG 4.09Å; I295-L304 HydrophobicContact CG2-CD1 4.19Å; L304-D306 VanDerWaalsContact C-N 3.25Å; L304-D306 PolarHBondContact O-N 3.13Å; L304-C307 PolarHBondContact O-N 2.85Å
305	S	81.6	Confident	73.3	Confident	12 Å²	12	56.2 Å²	56.2	8%	0.084	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-72.7	-11.7	175.6	-66.7	0	0	0	0	114.6	K226 S303	K226-S305 WeakPolarHBondContact CB-OG 2.98Å; S303-S305 PolarHBondContact O-N 3.11Å
306	D	75.3	Confident	73.5	Confident	87 Å²	87	61.6 Å²	61.6	47%	0.465	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-92.5	-9.4	177	-61	-45.1	0	0	0	112.4	E301 S303 L304	E301-D306 HydrophobicContact CB-CB 4.34Å; S303-D306 PolarHBondContact N-OD2 2.74Å; S303-D306 WeakPolarHBondContact O-CB 3.2Å; S303-D306 PolarHBondContact O-N 2.64Å; S303-D306 PolarHBondContact OG-N 3.45Å; S303-D306 PolarHBondContact OG-OD1 2.95Å; S303-D306 PolarHBondContact OG-OD2 3.12Å; L304-D306 VanDerWaalsContact C-N 3.25Å; L304-D306 PolarHBondContact O-N 3.13Å
307	C	75.7	Confident	73.8	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.027	30%	0.302	C	S	.	.	S	Bend	trans	-69.3	148.2	176.8	-59.7	0	0	0	0	110.4	I295 C297 E301 L304 H309	I295-C307 HydrophobicContact CG2-CB 3.56Å; C297-C307 HydrophobicContact CB-CB 3.95Å; C297-C307 WeakPolarHBondContact CB-SG 3.21Å; C297-C307 WeakPolarHBondContact SG-CB 3.31Å; C297-C307 CovalentContact SG-SG 2.02Å; C297-C307 PolarHBondContact SG-SG 3.39Å; E301-C307 HydrophobicContact CG-CB 4.43Å; L304-C307 PolarHBondContact O-N 2.85Å; C307-H309 PolarHBondContact O-CD2 2.94Å; C307-H309 PolarHBondContact O-N 2.94Å
308	P	73.9	Confident	74.5	Confident	78 Å²	78	61.8 Å²	61.8	51%	0.506	32%	0.321	S	S	.	.			trans	-49.9	128	163.5	-25.8	31.8	0	0	0	111.1	I295 D296	I295-P308 WeakPolarHBondContact CA-O 3.44Å; D296-P308 HydrophobicContact CB-CB 4.48Å; D296-P308 PolarHBondContact N-O 2.76Å; D296-P308 VanDerWaalsContact O-CD 3.22Å; D296-P308 WeakPolarHBondContact O-CD 3.35Å; D296-P308 WeakPolarHBondContact O-CG 3.37Å
309	H	82.2	Confident	76.2	Confident	51 Å²	51	59.5 Å²	59.5	24%	0.236	30%	0.304	C	S	.	.			trans	-153.5	168.4	177.9	64.5	81.7	0	0	0	108.9	L292 I295 C307 G311 F312	L292-H309 HydrophobicContact CD2-CB 4.27Å; I295-H309 HydrophobicContact CG1-CB 4.31Å; C307-H309 PolarHBondContact O-CD2 2.94Å; C307-H309 PolarHBondContact O-N 2.94Å; H309-G311 VanDerWaalsContact CE1-C 3.46Å; H309-G311 VanDerWaalsContact ND1-C 3.28Å; H309-G311 WeakPolarHBondContact ND1-CA 3.45Å; H309-G311 PolarHBondContact ND1-N 2.76Å; H309-G311 PolarHBondContact ND1-O 3.25Å; H309-G311 VanDerWaalsContact ND1-O 3.09Å; H309-G311 PolarHBondContact O-N 2.85Å; H309-F312 AromaticContact CE1-CD2 3.36Å; H309-F312 WeakPolarHBondContact CE1-CD2 3.35Å; H309-F312 AromaticContact CE1-CE2 3.37Å; H309-F312 WeakPolarHBondContact CE1-CE2 3.13Å; H309-F312 AromaticContact NE2-CD2 3.73Å; H309-F312 AromaticContact NE2-CE2 3.21Å; H309-F312 WeakPolarHBondContact NE2-CE2 3.48Å; H309-F312 AromaticContact NE2-CZ 3.98Å
310	R	72.9	Confident	77.8	Confident	104 Å²	104	63.2 Å²	63.2	39%	0.392	32%	0.318	S	S	.	.	S	Bend	trans	-65.1	-8.4	-175.9	-79.1	179.2	177	176.4	-0.2	116.3	D293 D294 E314 D316	D293-R310 PolarHBondContact O-N 3.29Å; D293-R310 WeakPolarHBondContact OD2-CD 3.34Å; D293-R310 IonicContact OD2-CZ 2.79Å; D293-R310 IonicContact OD2-NE 3.31Å; D293-R310 IonicContact OD2-NH1 2.73Å; D293-R310 PolarHBondContact OD2-NH1 3.04Å; D294-R310 HydrophobicContact CB-CG 3.71Å; D294-R310 VanDerWaalsContact CG-NE 3.32Å; D294-R310 IonicContact OD1-NH2 2.67Å; D294-R310 IonicContact OD2-CZ 3.66Å; D294-R310 IonicContact OD2-NE 3.82Å; D294-R310 PolarHBondContact OD2-NE 3.22Å; D294-R310 IonicContact OD2-NH2 3.12Å; D294-R310 PolarHBondContact OD2-NH2 2.81Å; R310-E314 HydrophobicContact CB-CB 4.45Å; R310-D316 IonicContact CZ-OD1 3.99Å; R310-D316 IonicContact NH1-OD1 3.23Å; R310-D316 PolarHBondContact NH1-OD1 3.21Å; R310-D316 IonicContact NH1-OD2 3.34Å
311	G	63.2	Low	79.3	Confident	19 Å²	19	58.5 Å²	58.5	20%	0.196	30%	0.296	C	S	.	.			trans	116.9	162.9	-160.8	0	0	0	0	0	110.6	H309	H309-G311 VanDerWaalsContact CE1-C 3.46Å; H309-G311 VanDerWaalsContact ND1-C 3.28Å; H309-G311 WeakPolarHBondContact ND1-CA 3.45Å; H309-G311 PolarHBondContact ND1-N 2.76Å; H309-G311 PolarHBondContact ND1-O 3.25Å; H309-G311 VanDerWaalsContact ND1-O 3.09Å; H309-G311 PolarHBondContact O-N 2.85Å
312	F	76	Confident	80	Confident	34 Å²	34	57.4 Å²	57.4	15%	0.149	29%	0.291	C	S	.	.	S	Bend	trans	-86.6	126.4	175.9	-83.1	-95.1	0	0	0	109.7	K226 V243 Y245 W291 L292 H309 E314	K226-F312 HydrophobicContact CD-CE1 3.93Å; K226-F312 HydrophobicContact CD-CE2 4.03Å; K226-F312 HydrophobicContact CD-CZ 3.47Å; K226-F312 VanDerWaalsContact CD-CZ 3.47Å; V243-F312 HydrophobicContact CG1-CE1 4.07Å; Y245-F312 HydrophobicContact CD1-CB 3.46Å; Y245-F312 VanDerWaalsContact CD1-CB 3.46Å; Y245-F312 AromaticContact CD1-CD1 3.46Å; Y245-F312 HydrophobicContact CD1-CD1 3.46Å; Y245-F312 VanDerWaalsContact CD1-CD1 3.46Å; Y245-F312 HydrophobicContact CD1-CE1 4.41Å; Y245-F312 AromaticContact CD1-CG 3.64Å; Y245-F312 HydrophobicContact CD1-CG 3.64Å; Y245-F312 AromaticContact CD2-CD1 3.62Å; Y245-F312 HydrophobicContact CD2-CD1 3.62Å; Y245-F312 HydrophobicContact CD2-CD2 4.37Å; Y245-F312 AromaticContact CD2-CE1 3.83Å; Y245-F312 HydrophobicContact CD2-CE1 3.83Å; Y245-F312 AromaticContact CD2-CG 3.91Å; Y245-F312 HydrophobicContact CD2-CG 3.91Å; Y245-F312 HydrophobicContact CD2-CZ 4.34Å; Y245-F312 HydrophobicContact CE1-CB 3.19Å; Y245-F312 AromaticContact CE1-CD1 3.98Å; Y245-F312 HydrophobicContact CE1-CD1 3.98Å; Y245-F312 HydrophobicContact CE1-CD2 4.47Å; Y245-F312 AromaticContact CE1-CG 3.64Å; Y245-F312 HydrophobicContact CE1-CG 3.64Å; Y245-F312 HydrophobicContact CE2-CB 4.33Å; Y245-F312 HydrophobicContact CE2-CD1 4.14Å; Y245-F312 HydrophobicContact CE2-CD2 4.14Å; Y245-F312 AromaticContact CE2-CG 3.93Å; Y245-F312 HydrophobicContact CE2-CG 3.93Å; Y245-F312 HydrophobicContact CG-CB 4.12Å; Y245-F312 AromaticContact CG-CD1 3.23Å; Y245-F312 HydrophobicContact CG-CD1 3.23Å; Y245-F312 AromaticContact CG-CE1 3.75Å; Y245-F312 HydrophobicContact CG-CE1 3.75Å; Y245-F312 AromaticContact CG-CG 3.75Å; Y245-F312 HydrophobicContact CG-CG 3.75Å; Y245-F312 AromaticContact CZ-CG 3.77Å; W291-F312 HydrophobicContact CB-CD1 4.25Å; W291-F312 HydrophobicContact CE3-CB 4.46Å; W291-F312 CarbonylContact O-C 3.53Å; W291-F312 VanDerWaalsContact O-CA 3.22Å; W291-F312 WeakPolarHBondContact O-CA 3.45Å; L292-F312 HydrophobicContact CD1-CE1 4.3Å; L292-F312 HydrophobicContact CD1-CZ 4.48Å; L292-F312 HydrophobicContact CD2-CD1 3.8Å; L292-F312 HydrophobicContact CD2-CD2 4.27Å; L292-F312 HydrophobicContact CD2-CE1 3.56Å; L292-F312 HydrophobicContact CD2-CE2 3.99Å; L292-F312 HydrophobicContact CD2-CG 4.15Å; L292-F312 HydrophobicContact CD2-CZ 3.65Å; L292-F312 HydrophobicContact CG-CD1 4.3Å; L292-F312 HydrophobicContact CG-CE1 3.95Å; L292-F312 HydrophobicContact CG-CZ 4.37Å; H309-F312 AromaticContact CE1-CD2 3.36Å; H309-F312 WeakPolarHBondContact CE1-CD2 3.35Å; H309-F312 AromaticContact CE1-CE2 3.37Å; H309-F312 WeakPolarHBondContact CE1-CE2 3.13Å; H309-F312 AromaticContact NE2-CD2 3.73Å; H309-F312 AromaticContact NE2-CE2 3.21Å; H309-F312 WeakPolarHBondContact NE2-CE2 3.48Å; H309-F312 AromaticContact NE2-CZ 3.98Å; F312-E314 PolarHBondContact O-N 3.5Å
313	G	78.4	Confident	81.4	Confident	24 Å²	24	48.7 Å²	48.7	25%	0.247	25%	0.253	C	S	.	.	S	Bend	trans	78.7	-2.5	-178.7	0	0	0	0	0	114.2	W291 H315	W291-G313 PolarHBondContact O-N 3.47Å; G313-H315 PolarHBondContact O-CD2 2.71Å
314	E	78.3	Confident	82.2	Confident	129 Å²	129	48.2 Å²	48.2	60%	0.603	25%	0.25	S	S	*	.			trans	-89.6	103.5	170	-66.7	-173	-154	0	0	108.9	R310 F312	R310-E314 HydrophobicContact CB-CB 4.45Å; F312-E314 PolarHBondContact O-N 3.5Å
315	H	85	Confident	82.5	Confident	66 Å²	66	48.2 Å²	48.2	31%	0.306	25%	0.25	S	S	.	.			trans	-151.3	155.8	-179.1	69.5	92.9	0	0	0	111.3	Q289 V290 D293 G313 C317	Q289-H315 PolarHBondContact NE2-CD2 3.32Å; Q289-H315 PolarHBondContact NE2-NE2 3.44Å; V290-H315 HydrophobicContact CG1-CB 4.31Å; V290-H315 PolarHBondContact O-CD2 3.02Å; D293-H315 HydrophobicContact CB-CB 3.5Å; D293-H315 VanDerWaalsContact CB-CB 3.5Å; D293-H315 WeakPolarHBondContact OD2-CA 3.28Å; G313-H315 PolarHBondContact O-CD2 2.71Å; H315-C317 PolarHBondContact CE1-O 2.81Å; H315-C317 PolarHBondContact ND1-N 2.78Å; H315-C317 PolarHBondContact ND1-O 3.49Å
316	D	84.6	Confident	82.3	Confident	115 Å²	115	49.3 Å²	49.3	62%	0.615	26%	0.256	S	S	*	.			trans	-107.6	3.9	166.9	55.2	-14.7	0	0	0	113.3	R310	R310-D316 IonicContact CZ-OD1 3.99Å; R310-D316 IonicContact NH1-OD1 3.23Å; R310-D316 PolarHBondContact NH1-OD1 3.21Å; R310-D316 IonicContact NH1-OD2 3.34Å
317	C	84.4	Confident	82.6	Confident	8 Å²	8	45.3 Å²	45.3	5%	0.054	24%	0.235	C	C	.	.			trans	-80.3	154.7	-177.5	-52.2	0	0	0	0	114.7	C253 D293 H315 E321	C253-C317 HydrophobicContact CB-CB 3.67Å; C253-C317 WeakPolarHBondContact CB-SG 3.03Å; C253-C317 WeakPolarHBondContact SG-CB 3.32Å; C253-C317 CovalentContact SG-SG 2Å; C253-C317 PolarHBondContact SG-SG 3.42Å; D293-C317 PolarHBondContact OD1-SG 3.38Å; D293-C317 VanDerWaalsContact OD1-SG 3.36Å; H315-C317 PolarHBondContact CE1-O 2.81Å; H315-C317 PolarHBondContact ND1-N 2.78Å; H315-C317 PolarHBondContact ND1-O 3.49Å; C317-E321 VanDerWaalsContact CA-OE2 3.25Å; C317-E321 WeakPolarHBondContact CA-OE2 3.22Å; C317-E321 HydrophobicContact CB-CB 4.17Å
318	D	87.1	Confident	82.4	Confident	80 Å²	80	45.5 Å²	45.5	43%	0.428	24%	0.236	S	C	.	.			trans	-109.1	172.8	164.7	80.9	34.2	0	0	0	112.2	H320 E321	D318-H320 PolarHBondContact O-N 2.84Å; D318-H320 WeakPolarHBondContact OD1-CA 3.45Å; D318-H320 WeakPolarHBondContact OD1-CB 3.34Å; D318-H320 IonicContact OD1-CE1 3.4Å; D318-H320 IonicContact OD1-CG 3.16Å; D318-H320 VanDerWaalsContact OD1-CG 3.27Å; D318-H320 PolarHBondContact OD1-N 3.48Å; D318-H320 IonicContact OD1-ND1 3.1Å; D318-H320 PolarHBondContact OD1-ND1 3.06Å; D318-H320 IonicContact OD2-CE1 2.89Å; D318-H320 IonicContact OD2-ND1 3Å; D318-H320 PolarHBondContact OD2-ND1 2.64Å; D318-E321 PolarHBondContact N-OE2 2.95Å; D318-E321 WeakPolarHBondContact O-CB 3.04Å; D318-E321 PolarHBondContact O-N 3.22Å
319	H	90.7	Very high	82.3	Confident	48 Å²	48	43.9 Å²	43.9	22%	0.222	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-70	-1.3	-178	-71.2	-51.5	0	0	0	115.9	T251 A281 R285 D288 D322	T251-H319 PolarHBondContact OG1-CE1 3.5Å; T251-H319 PolarHBondContact OG1-ND1 2.03Å; A281-H319 WeakPolarHBondContact CB-O 3.36Å; R285-H319 HydrophobicContact CB-CB 3.96Å; R285-H319 HydrophobicContact CG-CB 4.44Å; R285-H319 VanDerWaalsContact CG-O 3.28Å; R285-H319 WeakPolarHBondContact CG-O 3.26Å; D288-H319 PolarHBondContact O-CE1 2.81Å; D288-H319 PolarHBondContact O-NE2 3.49Å; H319-D322 IonicContact CG-OD1 3.69Å; H319-D322 IonicContact CG-OD2 3.22Å; H319-D322 IonicContact ND1-OD1 3.22Å; H319-D322 PolarHBondContact ND1-OD1 3.36Å; H319-D322 IonicContact ND1-OD2 2.62Å; H319-D322 PolarHBondContact ND1-OD2 2.88Å
320	H	86.6	Confident	81.9	Confident	89 Å²	89	42.9 Å²	42.9	41%	0.412	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-71	-19.4	164.4	-59.3	75.8	0	0	0	110.9	K280 A281 R285 D318	K280-H320 CarbonylContact C-O 3.48Å; K280-H320 WeakPolarHBondContact CA-O 3.23Å; A281-H320 PolarHBondContact N-O 3.12Å; R285-H320 VanDerWaalsContact CZ-CE1 3.48Å; R285-H320 PolarHBondContact NH1-CE1 2.82Å; R285-H320 PolarHBondContact NH1-NE2 2.9Å; R285-H320 PolarHBondContact NH2-CD2 3.42Å; R285-H320 PolarHBondContact NH2-NE2 3Å; D318-H320 PolarHBondContact O-N 2.84Å; D318-H320 WeakPolarHBondContact OD1-CA 3.45Å; D318-H320 WeakPolarHBondContact OD1-CB 3.34Å; D318-H320 IonicContact OD1-CE1 3.4Å; D318-H320 IonicContact OD1-CG 3.16Å; D318-H320 VanDerWaalsContact OD1-CG 3.27Å; D318-H320 PolarHBondContact OD1-N 3.48Å; D318-H320 IonicContact OD1-ND1 3.1Å; D318-H320 PolarHBondContact OD1-ND1 3.06Å; D318-H320 IonicContact OD2-CE1 2.89Å; D318-H320 IonicContact OD2-ND1 3Å; D318-H320 PolarHBondContact OD2-ND1 2.64Å
321	E	90.1	Very high	82.2	Confident	60 Å²	60	38 Å²	38	28%	0.28	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-102.2	18.5	-174.6	-65.9	164.1	138.5	0	0	111.4	C253 D254 C317 D318 A323	C253-E321 CarbonylContact C-O 3.37Å; C253-E321 WeakPolarHBondContact CA-O 3.42Å; D254-E321 VanDerWaalsContact CB-O 3.26Å; D254-E321 WeakPolarHBondContact CB-O 3.38Å; D254-E321 VanDerWaalsContact CG-O 3.26Å; D254-E321 PolarHBondContact N-O 3.19Å; D254-E321 WeakPolarHBondContact OD1-CB 3.27Å; C317-E321 VanDerWaalsContact CA-OE2 3.25Å; C317-E321 WeakPolarHBondContact CA-OE2 3.22Å; C317-E321 HydrophobicContact CB-CB 4.17Å; D318-E321 PolarHBondContact N-OE2 2.95Å; D318-E321 WeakPolarHBondContact O-CB 3.04Å; D318-E321 PolarHBondContact O-N 3.22Å; E321-A323 PolarHBondContact O-N 3.43Å
322	D	91.6	Very high	82.9	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-68.7	124.2	178.3	-64.9	-34.1	0	0	0	111.8	R240 T251 V252 A281 G286 H319	R240-D322 HydrophobicContact CG-CB 4.1Å; T251-D322 WeakPolarHBondContact CB-OD1 3.38Å; T251-D322 HydrophobicContact CG2-CB 4.45Å; T251-D322 PolarHBondContact OG1-OD1 2.77Å; V252-D322 WeakPolarHBondContact O-CA 3.34Å; A281-D322 WeakPolarHBondContact CA-O 3.38Å; A281-D322 HydrophobicContact CB-CB 4.26Å; A281-D322 PolarHBondContact N-O 3.27Å; G286-D322 WeakPolarHBondContact CA-OD2 3.19Å; G286-D322 PolarHBondContact N-OD2 2.82Å; H319-D322 IonicContact CG-OD1 3.69Å; H319-D322 IonicContact CG-OD2 3.22Å; H319-D322 IonicContact ND1-OD1 3.22Å; H319-D322 PolarHBondContact ND1-OD1 3.36Å; H319-D322 IonicContact ND1-OD2 2.62Å; H319-D322 PolarHBondContact ND1-OD2 2.88Å
323	A	94.1	Very high	82.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.			trans	-71.2	146.3	-179.2	0	0	0	0	0	113.1	R240 V241 V252 D254 W257 E321	R240-A323 WeakPolarHBondContact CA-O 3.39Å; V241-A323 PolarHBondContact N-O 2.85Å; V252-A323 HydrophobicContact CB-CB 4.26Å; V252-A323 HydrophobicContact CG1-CB 4.13Å; V252-A323 WeakPolarHBondContact O-CB 3.47Å; V252-A323 PolarHBondContact O-N 3.26Å; D254-A323 HydrophobicContact CB-CB 4.06Å; W257-A323 HydrophobicContact CB-CB 4.29Å; W257-A323 HydrophobicContact CD2-CB 3.58Å; W257-A323 HydrophobicContact CE3-CB 4.05Å; W257-A323 HydrophobicContact CG-CB 3.66Å; W257-A323 HydrophobicContact CZ2-CB 4.41Å; E321-A323 PolarHBondContact O-N 3.43Å
324	G	90.5	Very high	82.5	Confident	2 Å²	2	40 Å²	40	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.5	175.5	0	0	0	0	0	113.2	G239 W257 K278	G239-G324 VanDerWaalsContact O-CA 3.3Å; G239-G324 WeakPolarHBondContact O-CA 3.45Å; W257-G324 PolarHBondContact NE1-O 3.33Å; W257-G324 VanDerWaalsContact NE1-O 3.08Å; K278-G324 PolarHBondContact N-O 3.31Å; K278-G324 PolarHBondContact O-N 2.91Å
325	V	89.6	Confident	81.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.8	-179.6	73.7	0	0	0	0	112.2	L230 S238 G239 V241 W257 A262 T265 C266	L230-V325 HydrophobicContact CD1-CG1 3.86Å; L230-V325 HydrophobicContact CD2-CG1 3.51Å; L230-V325 HydrophobicContact CG-CG1 4.35Å; S238-V325 VanDerWaalsContact CA-O 3.25Å; S238-V325 WeakPolarHBondContact CA-O 3.15Å; G239-V325 PolarHBondContact N-O 2.95Å; G239-V325 PolarHBondContact O-N 3.05Å; V241-V325 HydrophobicContact CG2-CB 4.14Å; V241-V325 HydrophobicContact CG2-CG1 3.89Å; W257-V325 HydrophobicContact CZ2-CB 4.47Å; A262-V325 HydrophobicContact CB-CG2 3.66Å; T265-V325 HydrophobicContact CG2-CB 4.49Å; T265-V325 HydrophobicContact CG2-CG1 3.85Å; C266-V325 VanDerWaalsContact SG-CG2 3.6Å
326	V	78.5	Confident	80.6	Confident	34 Å²	34	37.6 Å²	37.6	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.2	166.6	-174.6	0	0	0	0	108.4	L275 A276 K278 Y283	L275-V326 HydrophobicContact CB-CG1 4.44Å; L275-V326 WeakPolarHBondContact CB-O 3.32Å; L275-V326 PolarHBondContact N-O 2.91Å; A276-V326 HydrophobicContact CB-CB 4.28Å; A276-V326 HydrophobicContact CB-CG2 4.47Å; A276-V326 PolarHBondContact N-O 3.32Å; A276-V326 PolarHBondContact O-N 3.44Å; K278-V326 HydrophobicContact CG-CG2 4.47Å; Y283-V326 WeakPolarHBondContact OH-CG2 3.32Å
327	C	81.2	Confident	79.2	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	163.9	176.3	-45.6	0	0	0	0	111.4	C237 C266 C271 N273 E329	C237-C327 HydrophobicContact CB-CB 4.17Å; C237-C327 VanDerWaalsContact O-CB 3.32Å; C237-C327 WeakPolarHBondContact O-CB 3.39Å; C237-C327 PolarHBondContact O-N 3.23Å; C237-C327 PolarHBondContact O-SG 3.01Å; C266-C327 WeakPolarHBondContact CA-SG 3.04Å; C266-C327 HydrophobicContact CB-CB 3.77Å; C266-C327 WeakPolarHBondContact CB-SG 3.43Å; C266-C327 WeakPolarHBondContact SG-CB 3.38Å; C266-C327 CovalentContact SG-SG 2.03Å; C266-C327 PolarHBondContact SG-SG 2.96Å; C271-C327 HydrophobicContact CB-CB 3.64Å; C271-C327 VanDerWaalsContact O-CB 3.3Å; C271-C327 WeakPolarHBondContact O-CB 2.98Å; N273-C327 CarbonylContact O-C 3.5Å; N273-C327 WeakPolarHBondContact O-CA 3.45Å; C327-E329 PolarHBondContact O-N 3.21Å
328	S	70.8	Confident	77.8	Confident	7 Å²	7	41.1 Å²	41.1	5%	0.049	22%	0.222	C	C	.	.			trans	-70	-16.5	-179.5	57	0	0	0	0	114.5	C271 N273 N330 V331	C271-S328 PolarHBondContact O-OG 3.29Å; N273-S328 PolarHBondContact N-OG 3.41Å; N273-S328 PolarHBondContact O-N 2.02Å; N273-S328 PolarHBondContact O-OG 3.23Å; S328-N330 PolarHBondContact O-N 2.92Å; S328-V331 WeakPolarHBondContact CB-O 3.15Å; S328-V331 PolarHBondContact OG-O 3.45Å
329	E	71.8	Confident	76.5	Confident	45 Å²	45	40.4 Å²	40.4	21%	0.21	22%	0.223	C	C	.	.	S	Bend	trans	65.2	-50.4	178.6	-174.3	176.9	-166.4	0	0	114.8	N235 R236 C237 C271 C327	N235-E329 PolarHBondContact ND2-OE2 3.28Å; R236-E329 IonicContact NE-OE1 2.97Å; C237-E329 HydrophobicContact CB-CB 3.78Å; C237-E329 HydrophobicContact CB-CG 4Å; C271-E329 VanDerWaalsContact O-CA 3.32Å; C271-E329 WeakPolarHBondContact O-CA 3.23Å; C271-E329 PolarHBondContact O-N 3.43Å; C327-E329 PolarHBondContact O-N 3.21Å
330	N	74	Confident	75.6	Confident	30 Å²	30	38.8 Å²	38.8	16%	0.16	22%	0.217	C	C	.	.	S	Bend	trans	-118.4	-6.4	-166.4	-59.9	-55.2	0	0	0	114.3	S328 V346 F347 T406	S328-N330 PolarHBondContact O-N 2.92Å; N330-V346 CarbonylContact O-C 3.55Å; N330-V346 VanDerWaalsContact O-CA 3.27Å; N330-V346 WeakPolarHBondContact O-CA 2.9Å; N330-V346 WeakPolarHBondContact O-CG1 3.4Å; N330-F347 PolarHBondContact O-N 2.94Å; N330-T406 HydrophobicContact CB-CG2 3.37Å
331	V	79.5	Confident	75	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.3	-176.6	-178.3	0	0	0	0	110.1	S328 E345 L368 L372 I405	S328-V331 WeakPolarHBondContact CB-O 3.15Å; S328-V331 PolarHBondContact OG-O 3.45Å; V331-E345 WeakPolarHBondContact CA-O 2.96Å; V331-L368 HydrophobicContact CG1-CD1 3.79Å; V331-L368 HydrophobicContact CG1-CD2 4.35Å; V331-L368 HydrophobicContact CG1-CG 4.12Å; V331-L368 HydrophobicContact CG2-CD1 4.36Å; V331-L372 HydrophobicContact CG1-CD2 4.21Å; V331-I405 HydrophobicContact CG2-CB 4.47Å; V331-I405 HydrophobicContact CG2-CG2 3.39Å
332	R	77.6	Confident	74.2	Confident	54 Å²	54	31.9 Å²	31.9	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.8	171.6	69.7	-172.5	-173.5	-175.3	0.8	111.9	I334 E345 W352	R332-I334 HydrophobicContact CG-CD1 3.99Å; R332-I334 HydrophobicContact CG-CG1 4.18Å; R332-E345 HydrophobicContact CG-CB 3.81Å; R332-E345 IonicContact CZ-OE2 3.46Å; R332-E345 PolarHBondContact N-O 2.73Å; R332-E345 IonicContact NE-OE2 2.81Å; R332-E345 PolarHBondContact NE-OE2 3.02Å; R332-E345 IonicContact NH2-OE2 3.64Å; R332-E345 PolarHBondContact NH2-OE2 2.69Å; R332-E345 PolarHBondContact O-N 3.32Å; R332-W352 HydrophobicContact CB-CH2 4.11Å; R332-W352 HydrophobicContact CB-CZ3 4.19Å; R332-W352 HydrophobicContact CG-CE3 4.07Å; R332-W352 HydrophobicContact CG-CH2 3.94Å; R332-W352 HydrophobicContact CG-CZ3 3.66Å
333	L	76.3	Confident	73.9	Confident	18 Å²	18	32.7 Å²	32.7	9%	0.094	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.9	173.5	-60	-173.4	0	0	0	109.8	N273 R343 V344 L368 L372 I422	N273-L333 PolarHBondContact OD1-N 3.45Å; L333-R343 WeakPolarHBondContact CA-O 3.39Å; L333-V344 HydrophobicContact CD2-CB 4.4Å; L333-V344 HydrophobicContact CD2-CG2 3.85Å; L333-L368 HydrophobicContact CD2-CD2 4.33Å; L333-L372 HydrophobicContact CD1-CD1 3.69Å; L333-L372 HydrophobicContact CD2-CD1 4.18Å; L333-L372 HydrophobicContact CG-CD1 3.94Å; L333-I422 HydrophobicContact CD1-CG2 4.02Å; L333-I422 HydrophobicContact CD2-CG2 3.59Å; L333-I422 HydrophobicContact CG-CG2 4.5Å
334	I	69.9	Low	73.5	Confident	49 Å²	49	32.7 Å²	32.7	25%	0.251	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.3	-175.9	-52.4	-63.3	0	0	0	110.4	R332 G336 R343 E345	R332-I334 HydrophobicContact CG-CD1 3.99Å; R332-I334 HydrophobicContact CG-CG1 4.18Å; I334-G336 PolarHBondContact O-N 3.26Å; I334-R343 PolarHBondContact N-O 3.32Å; I334-R343 WeakPolarHBondContact O-CB 3.22Å; I334-R343 PolarHBondContact O-N 2.84Å; I334-E345 HydrophobicContact CG1-CG 4.41Å
335	N	65.4	Low	73.3	Confident	111 Å²	111	32.8 Å²	32.8	59%	0.594	19%	0.188	S	C	*	.	S	Bend	trans	60.2	20.9	-179.7	-63.4	-10.8	0	0	0	115	R343 F386	N335-R343 PolarHBondContact ND2-NH1 2.93Å; N335-F386 HydrophobicContact CB-CB 4.16Å; N335-F386 PolarHBondContact ND2-O 2.88Å; N335-F386 WeakPolarHBondContact O-CD1 3.4Å
336	G	59.4	Low	73	Confident	33 Å²	33	32.8 Å²	32.8	34%	0.34	19%	0.188	S	C	.	.			trans	-74.1	164.6	174.1	0	0	0	0	0	113.8	I334 S341	I334-G336 PolarHBondContact O-N 3.26Å; G336-S341 VanDerWaalsContact CA-O 3.25Å; G336-S341 WeakPolarHBondContact CA-O 3.21Å
337	T	54.7	Low	72.8	Confident	119 Å²	119	33.5 Å²	33.5	73%	0.73	19%	0.188	S	C	*	.	S	Bend	trans	-83.1	-16.4	173.1	48.2	0	0	0	0	112.9	S341 F386	T337-S341 PolarHBondContact N-OG 3.45Å; T337-S341 PolarHBondContact OG1-OG 2.97Å; T337-S341 VanDerWaalsContact OG1-OG 3.11Å; T337-F386 HydrophobicContact CG2-CE1 4.46Å
338	D	54.9	Low	72.5	Confident	78 Å²	78	35.5 Å²	35.5	42%	0.417	20%	0.197	S	C	.	.	S	Bend	trans	-155.9	178.2	179.9	55.4	53.1	0	0	0	110.6	C340 S341	D338-C340 PolarHBondContact O-N 3.37Å; D338-C340 VanDerWaalsContact O-N 3.16Å; D338-C340 VanDerWaalsContact OD1-CA 3.29Å; D338-C340 WeakPolarHBondContact OD1-CA 3.26Å; D338-C340 WeakPolarHBondContact OD1-CB 3.45Å; D338-C340 PolarHBondContact OD1-N 2.85Å; D338-S341 PolarHBondContact N-OG 3.32Å; D338-S341 PolarHBondContact O-N 3.09Å; D338-S341 VanDerWaalsContact O-O 3.09Å; D338-S341 WeakPolarHBondContact OD1-CB 3.47Å; D338-S341 PolarHBondContact OD1-N 2.78Å; D338-S341 PolarHBondContact OD1-OG 3.49Å; D338-S341 PolarHBondContact OD2-OG 3.03Å
339	S	60.3	Low	72.3	Confident	64 Å²	64	41.1 Å²	41.1	45%	0.448	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.6	179.5	59.6	0	0	0	0	114.6	N273	N273-S339 PolarHBondContact ND2-O 2.78Å
340	C	71.3	Confident	72	Confident	15 Å²	15	42 Å²	42	10%	0.101	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	7.6	-175.1	-70.4	0	0	0	0	113.2	D338 C374 C424	D338-C340 PolarHBondContact O-N 3.37Å; D338-C340 VanDerWaalsContact O-N 3.16Å; D338-C340 VanDerWaalsContact OD1-CA 3.29Å; D338-C340 WeakPolarHBondContact OD1-CA 3.26Å; D338-C340 WeakPolarHBondContact OD1-CB 3.45Å; D338-C340 PolarHBondContact OD1-N 2.85Å; C340-C374 WeakPolarHBondContact CA-SG 3.49Å; C340-C374 HydrophobicContact CB-CB 3.59Å; C340-C374 WeakPolarHBondContact CB-SG 3.29Å; C340-C374 WeakPolarHBondContact SG-CB 3.25Å; C340-C374 CovalentContact SG-SG 2.04Å; C340-C374 PolarHBondContact SG-SG 2.86Å; C340-C424 HydrophobicContact CB-CB 4.26Å; C340-C424 PolarHBondContact O-N 2.69Å
341	S	72.8	Confident	72.1	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.7	178.4	58.1	0	0	0	0	111	G336 T337 D338 I422	G336-S341 VanDerWaalsContact CA-O 3.25Å; G336-S341 WeakPolarHBondContact CA-O 3.21Å; T337-S341 PolarHBondContact N-OG 3.45Å; T337-S341 PolarHBondContact OG1-OG 2.97Å; T337-S341 VanDerWaalsContact OG1-OG 3.11Å; D338-S341 PolarHBondContact N-OG 3.32Å; D338-S341 PolarHBondContact O-N 3.09Å; D338-S341 VanDerWaalsContact O-O 3.09Å; D338-S341 WeakPolarHBondContact OD1-CB 3.47Å; D338-S341 PolarHBondContact OD1-N 2.78Å; D338-S341 PolarHBondContact OD1-OG 3.49Å; D338-S341 PolarHBondContact OD2-OG 3.03Å; S341-I422 CarbonylContact C-O 3.55Å; S341-I422 WeakPolarHBondContact CA-O 3.47Å
342	G	75.1	Confident	72.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.2	-179.3	177	0	0	0	0	0	113.9	F386 S421 I422	G342-F386 VanDerWaalsContact CA-CD2 3.43Å; G342-S421 WeakPolarHBondContact O-CA 3.48Å; G342-I422 PolarHBondContact N-O 2.79Å; G342-I422 PolarHBondContact O-N 3.13Å
343	R	84.1	Confident	72.3	Confident	20 Å²	20	44.3 Å²	44.3	8%	0.075	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.6	172.7	-179.7	178.6	65.1	-113.5	5	110.3	L333 I334 N335 E345 F386 G387	L333-R343 WeakPolarHBondContact CA-O 3.39Å; I334-R343 PolarHBondContact N-O 3.32Å; I334-R343 WeakPolarHBondContact O-CB 3.22Å; I334-R343 PolarHBondContact O-N 2.84Å; N335-R343 PolarHBondContact ND2-NH1 2.93Å; R343-E345 IonicContact CZ-OE1 3.07Å; R343-E345 IonicContact NE-OE1 3.66Å; R343-E345 PolarHBondContact NE-OE1 2.87Å; R343-E345 VanDerWaalsContact NE-OE1 3.17Å; R343-E345 IonicContact NH2-OE1 3.22Å; R343-E345 PolarHBondContact NH2-OE1 3.41Å; R343-F386 HydrophobicContact CB-CB 4.34Å; R343-F386 PolarHBondContact NH1-O 2.87Å; R343-F386 VanDerWaalsContact NH1-O 3.09Å; R343-G387 WeakPolarHBondContact CD-O 3.22Å
344	V	86.3	Confident	72.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.2	-176.9	-174.6	0	0	0	0	111	L333 V346 W360 L368 V420 I422	L333-V344 HydrophobicContact CD2-CB 4.4Å; L333-V344 HydrophobicContact CD2-CG2 3.85Å; V344-V346 HydrophobicContact CG1-CG2 4.17Å; V344-W360 HydrophobicContact CG1-CH2 4.49Å; V344-W360 HydrophobicContact CG2-CH2 4.16Å; V344-L368 HydrophobicContact CG1-CD1 3.66Å; V344-L368 HydrophobicContact CG1-CD2 4.03Å; V344-L368 HydrophobicContact CG2-CD2 3.9Å; V344-V420 HydrophobicContact CB-CG2 3.78Å; V344-V420 HydrophobicContact CG2-CG2 3.94Å; V344-V420 PolarHBondContact N-O 2.75Å; V344-I422 HydrophobicContact CG2-CB 3.9Å; V344-I422 HydrophobicContact CG2-CG2 3.62Å
345	E	85.6	Confident	73.6	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.019	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.3	170	-63.2	179.2	-178.7	0	0	109.5	V331 R332 I334 R343 W352 G353 S389 L391	V331-E345 WeakPolarHBondContact CA-O 2.96Å; R332-E345 HydrophobicContact CG-CB 3.81Å; R332-E345 IonicContact CZ-OE2 3.46Å; R332-E345 PolarHBondContact N-O 2.73Å; R332-E345 IonicContact NE-OE2 2.81Å; R332-E345 PolarHBondContact NE-OE2 3.02Å; R332-E345 IonicContact NH2-OE2 3.64Å; R332-E345 PolarHBondContact NH2-OE2 2.69Å; R332-E345 PolarHBondContact O-N 3.32Å; I334-E345 HydrophobicContact CG1-CG 4.41Å; R343-E345 IonicContact CZ-OE1 3.07Å; R343-E345 IonicContact NE-OE1 3.66Å; R343-E345 PolarHBondContact NE-OE1 2.87Å; R343-E345 VanDerWaalsContact NE-OE1 3.17Å; R343-E345 IonicContact NH2-OE1 3.22Å; R343-E345 PolarHBondContact NH2-OE1 3.41Å; E345-W352 HydrophobicContact CB-CE3 4.21Å; E345-W352 WeakPolarHBondContact O-CZ3 3.34Å; E345-G353 WeakPolarHBondContact CA-O 3.49Å; E345-S389 PolarHBondContact OE1-OG 2.89Å; E345-L391 HydrophobicContact CG-CD1 4.16Å; E345-L391 WeakPolarHBondContact OE2-CD1 3.44Å
346	V	83.9	Confident	74.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.7	-175	-176.7	0	0	0	0	109.7	N330 V344 W352 G353 I355 I405	N330-V346 CarbonylContact O-C 3.55Å; N330-V346 VanDerWaalsContact O-CA 3.27Å; N330-V346 WeakPolarHBondContact O-CA 2.9Å; N330-V346 WeakPolarHBondContact O-CG1 3.4Å; V344-V346 HydrophobicContact CG1-CG2 4.17Å; V346-W352 VanDerWaalsContact C-CE3 3.43Å; V346-G353 PolarHBondContact N-O 2.73Å; V346-G353 PolarHBondContact O-N 3.21Å; V346-I355 HydrophobicContact CB-CD1 4.35Å; V346-I355 HydrophobicContact CB-CG1 4.47Å; V346-I355 HydrophobicContact CG2-CD1 3.9Å; V346-I355 HydrophobicContact CG2-CG1 3.65Å; V346-I405 HydrophobicContact CG1-CG2 3.74Å; V346-I405 HydrophobicContact CG2-CG2 4.02Å
347	F	74.1	Confident	75.6	Confident	49 Å²	49	37.3 Å²	37.3	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.4	176.6	-168.3	-107.2	0	0	0	109.9	N330 W352	N330-F347 PolarHBondContact O-N 2.94Å; F347-W352 HydrophobicContact CB-CD2 4Å; F347-W352 HydrophobicContact CB-CE3 3.85Å; F347-W352 HydrophobicContact CB-CH2 3.88Å; F347-W352 HydrophobicContact CB-CZ2 4.04Å; F347-W352 HydrophobicContact CB-CZ3 3.79Å; F347-W352 AromaticContact CD2-CD1 3.83Å; F347-W352 AromaticContact CD2-CD2 3.85Å; F347-W352 HydrophobicContact CD2-CD2 3.85Å; F347-W352 AromaticContact CD2-CE2 3.75Å; F347-W352 AromaticContact CD2-CG 3.9Å; F347-W352 HydrophobicContact CD2-CG 3.9Å; F347-W352 HydrophobicContact CD2-CZ2 4.33Å; F347-W352 AromaticContact CD2-NE1 3.75Å; F347-W352 HydrophobicContact CG-CD2 4.41Å; F347-W352 HydrophobicContact CG-CZ2 4.46Å
348	H	73.9	Confident	76.7	Confident	47 Å²	47	37.4 Å²	37.4	22%	0.218	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	137.8	-178.4	-169.9	74.5	0	0	0	110.6	G350 R351 F394	H348-G350 VanDerWaalsContact C-N 3.29Å; H348-G350 PolarHBondContact O-N 3.02Å; H348-R351 PolarHBondContact N-O 2.9Å; H348-R351 PolarHBondContact O-N 2.71Å; H348-F394 HydrophobicContact CB-CE2 4.05Å; H348-F394 HydrophobicContact CB-CZ 4.1Å
349	N	67.4	Low	77.5	Confident	125 Å²	125	34.7 Å²	34.7	67%	0.668	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	42	-177	-67.1	-24.4	0	0	0	114.6	R351	N349-R351 VanDerWaalsContact C-N 3.31Å; N349-R351 PolarHBondContact O-N 3.07Å
350	G	64.8	Low	78.4	Confident	62 Å²	62	34.2 Å²	34.2	64%	0.639	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	8.9	175	0	0	0	0	0	115.2	H348	H348-G350 VanDerWaalsContact C-N 3.29Å; H348-G350 PolarHBondContact O-N 3.02Å
351	R	75.9	Confident	78.7	Confident	104 Å²	104	34.8 Å²	34.8	39%	0.392	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.9	176.7	63.5	-178.7	-178.6	169.7	1	112.9	H348 N349 F394 E412	H348-R351 PolarHBondContact N-O 2.9Å; H348-R351 PolarHBondContact O-N 2.71Å; N349-R351 VanDerWaalsContact C-N 3.31Å; N349-R351 PolarHBondContact O-N 3.07Å; R351-F394 HydrophobicContact CG-CZ 4.47Å; R351-E412 IonicContact CZ-OE1 3.91Å; R351-E412 IonicContact NE-OE1 2.69Å; R351-E412 IonicContact NH2-OE1 3.16Å; R351-E412 PolarHBondContact NH2-OE1 2.95Å; R351-E412 IonicContact NH2-OE2 3.09Å; R351-E412 PolarHBondContact NH2-OE2 3.17Å
352	W	81.5	Confident	78.8	Confident	29 Å²	29	37.1 Å²	37.1	11%	0.11	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.3	170.3	-72.8	104.2	0	0	0	110.7	N270 R332 E345 V346 F347 L391	N270-W352 PolarHBondContact OD1-NE1 3.45Å; N270-W352 VanDerWaalsContact OD1-NE1 3.12Å; R332-W352 HydrophobicContact CB-CH2 4.11Å; R332-W352 HydrophobicContact CB-CZ3 4.19Å; R332-W352 HydrophobicContact CG-CE3 4.07Å; R332-W352 HydrophobicContact CG-CH2 3.94Å; R332-W352 HydrophobicContact CG-CZ3 3.66Å; E345-W352 HydrophobicContact CB-CE3 4.21Å; E345-W352 WeakPolarHBondContact O-CZ3 3.34Å; V346-W352 VanDerWaalsContact C-CE3 3.43Å; F347-W352 HydrophobicContact CB-CD2 4Å; F347-W352 HydrophobicContact CB-CE3 3.85Å; F347-W352 HydrophobicContact CB-CH2 3.88Å; F347-W352 HydrophobicContact CB-CZ2 4.04Å; F347-W352 HydrophobicContact CB-CZ3 3.79Å; F347-W352 AromaticContact CD2-CD1 3.83Å; F347-W352 AromaticContact CD2-CD2 3.85Å; F347-W352 HydrophobicContact CD2-CD2 3.85Å; F347-W352 AromaticContact CD2-CE2 3.75Å; F347-W352 AromaticContact CD2-CG 3.9Å; F347-W352 HydrophobicContact CD2-CG 3.9Å; F347-W352 HydrophobicContact CD2-CZ2 4.33Å; F347-W352 AromaticContact CD2-NE1 3.75Å; F347-W352 HydrophobicContact CG-CD2 4.41Å; F347-W352 HydrophobicContact CG-CZ2 4.46Å; W352-L391 HydrophobicContact CB-CD1 4.16Å
353	G	81.3	Confident	79.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.8	172.9	0	0	0	0	0	112.3	E345 V346 A392	E345-G353 WeakPolarHBondContact CA-O 3.49Å; V346-G353 PolarHBondContact N-O 2.73Å; V346-G353 PolarHBondContact O-N 3.21Å; G353-A392 CarbonylContact C-O 3.58Å; G353-A392 VanDerWaalsContact CA-O 3.25Å; G353-A392 WeakPolarHBondContact CA-O 3.1Å
354	K	87.1	Confident	79.2	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	143.2	178.8	66.3	-173.6	-175.1	175.8	0	110.6	D388 S389 L391 A392 G393 F394 C417	K354-D388 IonicContact NZ-OD1 2.62Å; K354-D388 PolarHBondContact NZ-OD1 3.44Å; K354-D388 IonicContact NZ-OD2 2.88Å; K354-D388 PolarHBondContact NZ-OD2 3Å; K354-S389 PolarHBondContact NZ-O 3.3Å; K354-L391 WeakPolarHBondContact CE-O 3.39Å; K354-A392 PolarHBondContact N-O 3.31Å; K354-G393 CarbonylContact O-C 3.58Å; K354-G393 WeakPolarHBondContact O-CA 3.36Å; K354-F394 PolarHBondContact O-N 3.02Å; K354-C417 WeakPolarHBondContact CE-O 3.41Å; K354-C417 PolarHBondContact NZ-O 3.37Å
355	I	86.2	Confident	79	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.9	173.6	-59.4	-72.9	0	0	0	109.1	V346 W360 F394 G419 V420	V346-I355 HydrophobicContact CB-CD1 4.35Å; V346-I355 HydrophobicContact CB-CG1 4.47Å; V346-I355 HydrophobicContact CG2-CD1 3.9Å; V346-I355 HydrophobicContact CG2-CG1 3.65Å; I355-W360 HydrophobicContact CB-CE3 4.39Å; I355-W360 HydrophobicContact CG2-CE3 3.68Å; I355-W360 HydrophobicContact CG2-CZ3 4.23Å; I355-F394 HydrophobicContact CD1-CB 4.07Å; I355-G419 WeakPolarHBondContact O-CA 3.26Å; I355-V420 HydrophobicContact CB-CG2 3.94Å; I355-V420 HydrophobicContact CG2-CG2 4.3Å; I355-V420 PolarHBondContact O-N 3.4Å; I355-V420 VanDerWaalsContact O-N 3.16Å
356	C	85.6	Confident	78.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-75.9	133.6	-178	-61.5	0	0	0	0	111.7	N358 S359 F394 S413 C417	C356-N358 WeakPolarHBondContact CB-OD1 2.99Å; C356-N358 PolarHBondContact O-N 3.19Å; C356-N358 VanDerWaalsContact O-N 3.17Å; C356-S359 PolarHBondContact O-N 3.26Å; C356-S359 PolarHBondContact O-OG 2.72Å; C356-F394 PolarHBondContact N-O 3.18Å; C356-F394 PolarHBondContact SG-O 2.91Å; C356-S413 WeakPolarHBondContact SG-CB 3.37Å; C356-S413 PolarHBondContact SG-OG 2.9Å; C356-S413 VanDerWaalsContact SG-OG 3.42Å; C356-C417 VanDerWaalsContact CA-SG 3.57Å; C356-C417 HydrophobicContact CB-CB 3.61Å; C356-C417 WeakPolarHBondContact CB-SG 3.27Å; C356-C417 WeakPolarHBondContact SG-CB 3.42Å; C356-C417 CovalentContact SG-SG 2.03Å; C356-C417 PolarHBondContact SG-SG 3.31Å
357	S	80.8	Confident	78.8	Confident	58 Å²	58	44.2 Å²	44.2	41%	0.406	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.1	-28.9	-179.1	61.3	0	0	0	0	115	S359 W360 E418	S357-S359 PolarHBondContact O-N 3.25Å; S357-W360 PolarHBondContact O-N 3.36Å; S357-E418 PolarHBondContact N-O 3.22Å
358	N	76.9	Confident	79.2	Confident	122 Å²	122	41.9 Å²	41.9	65%	0.652	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-70.1	-10.5	176	65.5	-16.6	0	0	0	114.4	C356	C356-N358 WeakPolarHBondContact CB-OD1 2.99Å; C356-N358 PolarHBondContact O-N 3.19Å; C356-N358 VanDerWaalsContact O-N 3.17Å
359	S	72.5	Confident	79.4	Confident	21 Å²	21	39.6 Å²	39.6	15%	0.147	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-118.7	11.3	-179.5	65.8	0	0	0	0	113.2	C356 S357 I395 S396	C356-S359 PolarHBondContact O-N 3.26Å; C356-S359 PolarHBondContact O-OG 2.72Å; S357-S359 PolarHBondContact O-N 3.25Å; S359-I395 WeakPolarHBondContact OG-CA 3.42Å; S359-S396 VanDerWaalsContact O-O 3.1Å; S359-S396 PolarHBondContact OG-N 2.93Å
360	W	79.6	Confident	79.7	Confident	53 Å²	53	40.7 Å²	40.7	20%	0.201	24%	0.242	C	C	.	.			trans	-108.4	127.5	-173	-177.3	-96.6	0	0	0	111.2	V344 I355 S357 E364 A365 L368 V420 I422	V344-W360 HydrophobicContact CG1-CH2 4.49Å; V344-W360 HydrophobicContact CG2-CH2 4.16Å; I355-W360 HydrophobicContact CB-CE3 4.39Å; I355-W360 HydrophobicContact CG2-CE3 3.68Å; I355-W360 HydrophobicContact CG2-CZ3 4.23Å; S357-W360 PolarHBondContact O-N 3.36Å; W360-E364 HydrophobicContact CD2-CB 4.27Å; W360-E364 HydrophobicContact CE3-CB 3.85Å; W360-E364 HydrophobicContact CZ3-CB 4.04Å; W360-A365 HydrophobicContact CZ2-CB 3.84Å; W360-L368 HydrophobicContact CH2-CB 4.1Å; W360-L368 HydrophobicContact CH2-CD1 4.08Å; W360-L368 HydrophobicContact CH2-CD2 4.14Å; W360-L368 HydrophobicContact CH2-CG 4.33Å; W360-L368 HydrophobicContact CZ3-CD1 4.38Å; W360-V420 HydrophobicContact CB-CG1 3.61Å; W360-V420 HydrophobicContact CD2-CB 4.07Å; W360-V420 HydrophobicContact CD2-CG1 3.98Å; W360-V420 HydrophobicContact CD2-CG2 3.8Å; W360-V420 HydrophobicContact CE3-CB 4.48Å; W360-V420 HydrophobicContact CE3-CG1 4.46Å; W360-V420 HydrophobicContact CE3-CG2 3.74Å; W360-V420 HydrophobicContact CG-CB 4.14Å; W360-V420 HydrophobicContact CG-CG1 3.62Å; W360-V420 HydrophobicContact CG-CG2 4.35Å; W360-V420 HydrophobicContact CH2-CG2 4.26Å; W360-V420 HydrophobicContact CZ2-CG2 4.33Å; W360-V420 HydrophobicContact CZ3-CG2 3.97Å; W360-I422 HydrophobicContact CH2-CD1 4.28Å; W360-I422 HydrophobicContact CZ2-CB 4.4Å; W360-I422 HydrophobicContact CZ2-CD1 3.86Å; W360-I422 HydrophobicContact CZ2-CG1 4.3Å
361	G	78.1	Confident	80.3	Confident	28 Å²	28	39 Å²	39	29%	0.289	22%	0.218	S	C	.	.			trans	-135	-177.7	-179.7	0	0	0	0	0	112.9	T363 E364 A365	G361-T363 PolarHBondContact O-N 2.68Å; G361-E364 WeakPolarHBondContact CA-OE2 3.09Å; G361-E364 PolarHBondContact N-OE2 3.27Å; G361-E364 VanDerWaalsContact N-OE2 3.1Å; G361-E364 PolarHBondContact O-N 3.2Å; G361-A365 WeakPolarHBondContact O-CB 3.43Å; G361-A365 PolarHBondContact O-N 3.36Å
362	G	74.9	Confident	80.1	Confident	52 Å²	52	34.6 Å²	34.6	54%	0.536	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-28	177.2	0	0	0	0	0	113.4	T366	G362-T366 WeakPolarHBondContact O-CB 3.29Å; G362-T366 PolarHBondContact O-N 3.09Å; G362-T366 PolarHBondContact O-OG1 2.86Å
363	T	81.8	Confident	79.4	Confident	64 Å²	64	37.5 Å²	37.5	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-69.9	-49.5	178.1	-50.6	0	0	0	0	110.7	G361 T366 V367 C398	G361-T363 PolarHBondContact O-N 2.68Å; T363-T366 PolarHBondContact O-N 2.84Å; T363-V367 WeakPolarHBondContact O-CG2 3.39Å; T363-V367 PolarHBondContact O-N 2.83Å; T363-C398 HydrophobicContact CG2-CB 4.3Å
364	E	84.9	Confident	78.7	Confident	20 Å²	20	37.7 Å²	37.7	9%	0.093	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-46.4	175.7	-67.7	64.5	-148.6	0	0	110.6	W360 G361 T366 V367 L368 C398 I405	W360-E364 HydrophobicContact CD2-CB 4.27Å; W360-E364 HydrophobicContact CE3-CB 3.85Å; W360-E364 HydrophobicContact CZ3-CB 4.04Å; G361-E364 WeakPolarHBondContact CA-OE2 3.09Å; G361-E364 PolarHBondContact N-OE2 3.27Å; G361-E364 VanDerWaalsContact N-OE2 3.1Å; G361-E364 PolarHBondContact O-N 3.2Å; E364-T366 VanDerWaalsContact C-N 3.33Å; E364-T366 PolarHBondContact O-N 2.79Å; E364-V367 PolarHBondContact O-N 3.08Å; E364-L368 WeakPolarHBondContact O-CB 3.5Å; E364-L368 PolarHBondContact O-N 3.02Å; E364-C398 HydrophobicContact CG-CB 4.19Å; E364-C398 PolarHBondContact OE1-N 2Å; E364-I405 HydrophobicContact CB-CD1 4.39Å
365	A	82.9	Confident	77.9	Confident	8 Å²	8	39.1 Å²	39.1	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-39.6	176.2	0	0	0	0	0	112.4	W360 G361 L368 C369 P377 I422	W360-A365 HydrophobicContact CZ2-CB 3.84Å; G361-A365 WeakPolarHBondContact O-CB 3.43Å; G361-A365 PolarHBondContact O-N 3.36Å; A365-L368 PolarHBondContact O-N 3.03Å; A365-C369 WeakPolarHBondContact O-CB 3.45Å; A365-C369 PolarHBondContact O-N 3.39Å; A365-C369 PolarHBondContact O-SG 2.87Å; A365-P377 HydrophobicContact CB-CB 4.07Å; A365-P377 HydrophobicContact CB-CG 3.76Å; A365-I422 HydrophobicContact CB-CD1 4.22Å
366	T	80.5	Confident	77.3	Confident	73 Å²	73	43.7 Å²	43.7	45%	0.448	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-43.5	177.6	-59.6	0	0	0	0	111.7	G362 T363 E364 L368 K370	G362-T366 WeakPolarHBondContact O-CB 3.29Å; G362-T366 PolarHBondContact O-N 3.09Å; G362-T366 PolarHBondContact O-OG1 2.86Å; T363-T366 PolarHBondContact O-N 2.84Å; E364-T366 VanDerWaalsContact C-N 3.33Å; E364-T366 PolarHBondContact O-N 2.79Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-K370 VanDerWaalsContact O-CB 3.22Å; T366-K370 WeakPolarHBondContact O-CB 3.37Å; T366-K370 PolarHBondContact O-N 2.02Å
367	V	84.1	Confident	76.8	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-46.2	175.2	171.3	0	0	0	0	110	T363 E364 K370 E371 C398 V402	T363-V367 WeakPolarHBondContact O-CG2 3.39Å; T363-V367 PolarHBondContact O-N 2.83Å; E364-V367 PolarHBondContact O-N 3.08Å; V367-K370 PolarHBondContact O-N 3.34Å; V367-E371 WeakPolarHBondContact O-CB 2.98Å; V367-E371 PolarHBondContact O-N 3.12Å; V367-C398 HydrophobicContact CG2-CB 4.4Å; V367-V402 HydrophobicContact CB-CG2 4.43Å; V367-V402 HydrophobicContact CG1-CG2 3.9Å; V367-V402 HydrophobicContact CG2-CG2 3.62Å
368	L	82.1	Confident	76.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-45.5	-177.4	-158.8	115.5	0	0	0	112.6	V331 L333 V344 W360 E364 A365 T366 K370 E371 L372 I405 I422	V331-L368 HydrophobicContact CG1-CD1 3.79Å; V331-L368 HydrophobicContact CG1-CD2 4.35Å; V331-L368 HydrophobicContact CG1-CG 4.12Å; V331-L368 HydrophobicContact CG2-CD1 4.36Å; L333-L368 HydrophobicContact CD2-CD2 4.33Å; V344-L368 HydrophobicContact CG1-CD1 3.66Å; V344-L368 HydrophobicContact CG1-CD2 4.03Å; V344-L368 HydrophobicContact CG2-CD2 3.9Å; W360-L368 HydrophobicContact CH2-CB 4.1Å; W360-L368 HydrophobicContact CH2-CD1 4.08Å; W360-L368 HydrophobicContact CH2-CD2 4.14Å; W360-L368 HydrophobicContact CH2-CG 4.33Å; W360-L368 HydrophobicContact CZ3-CD1 4.38Å; E364-L368 WeakPolarHBondContact O-CB 3.5Å; E364-L368 PolarHBondContact O-N 3.02Å; A365-L368 PolarHBondContact O-N 3.03Å; T366-L368 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.41Å; L368-E371 PolarHBondContact O-N 2.89Å; L368-L372 HydrophobicContact CD2-CD1 3.69Å; L368-L372 HydrophobicContact CG-CD1 4.25Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.23Å; L368-L372 PolarHBondContact O-N 3.18Å; L368-I405 HydrophobicContact CD1-CB 4.24Å; L368-I405 HydrophobicContact CD1-CD1 4.2Å; L368-I405 HydrophobicContact CD1-CG1 4.22Å; L368-I405 HydrophobicContact CD1-CG2 4.45Å; L368-I422 HydrophobicContact CB-CD1 4.17Å; L368-I422 HydrophobicContact CD2-CD1 3.6Å; L368-I422 HydrophobicContact CD2-CG2 3.89Å
369	C	77.4	Confident	75.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-31.4	175.4	-71.9	0	0	0	0	112.3	A365 N373 C374 G375 P377 I422 C424	A365-C369 WeakPolarHBondContact O-CB 3.45Å; A365-C369 PolarHBondContact O-N 3.39Å; A365-C369 PolarHBondContact O-SG 2.87Å; C369-N373 PolarHBondContact O-N 3.32Å; C369-C374 PolarHBondContact O-N 3.19Å; C369-G375 VanDerWaalsContact CB-O 3.23Å; C369-G375 WeakPolarHBondContact CB-O 3.03Å; C369-P377 HydrophobicContact CB-CG 4.42Å; C369-I422 WeakPolarHBondContact SG-CD1 3.38Å; C369-C424 WeakPolarHBondContact CA-SG 3.01Å; C369-C424 HydrophobicContact CB-CB 3.82Å; C369-C424 WeakPolarHBondContact CB-SG 3.37Å; C369-C424 WeakPolarHBondContact SG-CB 3.35Å; C369-C424 CovalentContact SG-SG 2.04Å; C369-C424 PolarHBondContact SG-SG 3.26Å
370	K	74.7	Confident	74.1	Confident	148 Å²	148	56.8 Å²	56.8	64%	0.643	32%	0.318	S	S	*	.	H	α-helix	trans	-72.3	-43.5	174.5	-171.8	179.4	-179.4	-177.2	0	112	T366 V367 L368 L372 N373	T366-K370 VanDerWaalsContact O-CB 3.22Å; T366-K370 WeakPolarHBondContact O-CB 3.37Å; T366-K370 PolarHBondContact O-N 2.02Å; V367-K370 PolarHBondContact O-N 3.34Å; L368-K370 PolarHBondContact O-N 3.41Å; K370-L372 VanDerWaalsContact C-N 3.27Å; K370-L372 PolarHBondContact O-N 3.01Å; K370-N373 PolarHBondContact O-N 3.44Å; K370-N373 VanDerWaalsContact O-N 3.12Å
371	E	77.8	Confident	72.3	Confident	27 Å²	27	63 Å²	63	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-35.6	175.6	-178.6	172.1	-162.6	0	0	111.9	V367 L368 N373 S404 I405	V367-E371 WeakPolarHBondContact O-CB 2.98Å; V367-E371 PolarHBondContact O-N 3.12Å; L368-E371 PolarHBondContact O-N 2.89Å; E371-N373 VanDerWaalsContact C-N 3.3Å; E371-N373 PolarHBondContact O-N 3.5Å; E371-S404 VanDerWaalsContact CD-OG 3.29Å; E371-S404 VanDerWaalsContact OE1-CB 3.23Å; E371-S404 WeakPolarHBondContact OE1-CB 3.29Å; E371-S404 PolarHBondContact OE1-OG 3.38Å; E371-S404 VanDerWaalsContact OE2-CA 3.31Å; E371-S404 WeakPolarHBondContact OE2-CA 3.44Å; E371-I405 PolarHBondContact OE2-N 3.35Å
372	L	72	Confident	70.7	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.052	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.7	176.1	-65.5	173	0	0	0	114.3	N273 L275 V331 L333 L368 K370 C374	N273-L372 HydrophobicContact CB-CD2 4.37Å; L275-L372 HydrophobicContact CD2-CD2 4.47Å; V331-L372 HydrophobicContact CG1-CD2 4.21Å; L333-L372 HydrophobicContact CD1-CD1 3.69Å; L333-L372 HydrophobicContact CD2-CD1 4.18Å; L333-L372 HydrophobicContact CG-CD1 3.94Å; L368-L372 HydrophobicContact CD2-CD1 3.69Å; L368-L372 HydrophobicContact CG-CD1 4.25Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.23Å; L368-L372 PolarHBondContact O-N 3.18Å; K370-L372 VanDerWaalsContact C-N 3.27Å; K370-L372 PolarHBondContact O-N 3.01Å; L372-C374 VanDerWaalsContact C-N 3.26Å; L372-C374 HydrophobicContact CB-CB 4.32Å; L372-C374 PolarHBondContact O-N 2.04Å; L372-C374 PolarHBondContact O-SG 3.38Å
373	N	66.3	Low	69.5	Low	91 Å²	91	69.9 Å²	69.9	49%	0.487	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	36.8	-174.8	-160.3	27.7	0	0	0	114	C369 K370 E371 N427	C369-N373 PolarHBondContact O-N 3.32Å; K370-N373 PolarHBondContact O-N 3.44Å; K370-N373 VanDerWaalsContact O-N 3.12Å; E371-N373 VanDerWaalsContact C-N 3.3Å; E371-N373 PolarHBondContact O-N 3.5Å; N373-N427 PolarHBondContact ND2-ND2 3.24Å; N373-N427 PolarHBondContact O-ND2 2.82Å
374	C	66.9	Low	68.1	Low	3 Å²	3	70.6 Å²	70.6	2%	0.02	37%	0.369	C	S	.	.			trans	-111.5	18.1	-172.5	-71.8	0	0	0	0	114	C340 C369 L372 C424 A425 G426	C340-C374 WeakPolarHBondContact CA-SG 3.49Å; C340-C374 HydrophobicContact CB-CB 3.59Å; C340-C374 WeakPolarHBondContact CB-SG 3.29Å; C340-C374 WeakPolarHBondContact SG-CB 3.25Å; C340-C374 CovalentContact SG-SG 2.04Å; C340-C374 PolarHBondContact SG-SG 2.86Å; C369-C374 PolarHBondContact O-N 3.19Å; L372-C374 VanDerWaalsContact C-N 3.26Å; L372-C374 HydrophobicContact CB-CB 4.32Å; L372-C374 PolarHBondContact O-N 2.04Å; L372-C374 PolarHBondContact O-SG 3.38Å; C374-C424 HydrophobicContact CB-CB 3.38Å; C374-C424 VanDerWaalsContact O-CB 3.26Å; C374-C424 WeakPolarHBondContact O-CB 3.21Å; C374-A425 PolarHBondContact O-N 3.28Å; C374-G426 PolarHBondContact O-N 3.33Å
375	G	69.1	Low	66.9	Low	37 Å²	37	75.2 Å²	75.2	38%	0.381	40%	0.399	S	S	.	.			trans	74.6	-140.6	179.4	0	0	0	0	0	113.5	C369	C369-G375 VanDerWaalsContact CB-O 3.23Å; C369-G375 WeakPolarHBondContact CB-O 3.03Å
376	T	73.9	Confident	65.7	Low	96 Å²	96	76.4 Å²	76.4	59%	0.589	40%	0.402	S	S	*	.	S	Bend	trans	-95.9	154.6	-177.4	55.4	0	0	0	0	112.4	C424 A425	T376-C424 CarbonylContact O-C 3.54Å; T376-A425 WeakPolarHBondContact O-CB 3.2Å; T376-A425 PolarHBondContact O-N 2.93Å
377	P	75.6	Confident	64.7	Low	36 Å²	36	75.3 Å²	75.3	23%	0.234	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-63.3	136.3	174.6	-19.5	31.4	0	0	0	112.1	A365 C369	A365-P377 HydrophobicContact CB-CB 4.07Å; A365-P377 HydrophobicContact CB-CG 3.76Å; C369-P377 HydrophobicContact CB-CG 4.42Å
378	K	69.4	Low	64	Low	100 Å²	100	78.5 Å²	78.5	44%	0.435	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-65.4	147.7	170.1	-69	-179	176.5	171.5	0	109.9	A423 C424	K378-A423 WeakPolarHBondContact CB-O 3.23Å; K378-A423 HydrophobicContact CD-CB 4.16Å; K378-A423 PolarHBondContact N-O 2.79Å; K378-C424 VanDerWaalsContact CE-O 3.23Å; K378-C424 WeakPolarHBondContact CE-O 3.47Å
379	K	57.4	Low	63.4	Low	183 Å²	183	78.9 Å²	78.9	80%	0.796	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-66	141.1	-172.7	-72.8	-177.5	178.5	176.2	0	112	Q381	K379-Q381 PolarHBondContact O-N 3.16Å
380	N	46.3	Very low	63.4	Low	157 Å²	157	85.2 Å²	85.2	84%	0.84	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	10.1	-176.6	-74.2	-5.5	0	0	0	118.1
381	Q	41.9	Very low	63.5	Low	184 Å²	184	80.6 Å²	80.6	86%	0.86	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15	176.2	-94.4	178.4	-19.6	0	0	113.6	K379	K379-Q381 PolarHBondContact O-N 3.16Å
382	D	44.5	Very low	63.7	Low	101 Å²	101	81.4 Å²	81.4	54%	0.54	46%	0.459	S	S	.	.	S	Bend	trans	-101.5	101.7	172.4	-61.6	-38.8	0	0	0	109	F384	D382-F384 VanDerWaalsContact C-N 3.34Å; D382-F384 HydrophobicContact CB-CD2 4.16Å; D382-F384 HydrophobicContact CB-CE1 4.05Å; D382-F384 HydrophobicContact CB-CE2 3.45Å; D382-F384 VanDerWaalsContact CB-CE2 3.45Å; D382-F384 HydrophobicContact CB-CZ 3.37Å; D382-F384 WeakPolarHBondContact O-CD2 2.99Å; D382-F384 WeakPolarHBondContact O-CE2 3.06Å; D382-F384 PolarHBondContact O-N 2.87Å
383	V	49.6	Very low	64.3	Low	123 Å²	123	81.3 Å²	81.3	75%	0.745	46%	0.461	S	S	*	.			trans	-78	87.8	174.7	-176.2	0	0	0	0	108.1	T385	V383-T385 HydrophobicContact CG1-CG2 4.15Å; V383-T385 PolarHBondContact O-N 2.89Å
384	F	53.7	Low	65.2	Low	78 Å²	78	77 Å²	77	34%	0.342	44%	0.438	S	S	.	.			trans	-69.7	117.3	173.5	-56.4	-78.9	0	0	0	109.4	D382 F386 S421 A423	D382-F384 VanDerWaalsContact C-N 3.34Å; D382-F384 HydrophobicContact CB-CD2 4.16Å; D382-F384 HydrophobicContact CB-CE1 4.05Å; D382-F384 HydrophobicContact CB-CE2 3.45Å; D382-F384 VanDerWaalsContact CB-CE2 3.45Å; D382-F384 HydrophobicContact CB-CZ 3.37Å; D382-F384 WeakPolarHBondContact O-CD2 2.99Å; D382-F384 WeakPolarHBondContact O-CE2 3.06Å; D382-F384 PolarHBondContact O-N 2.87Å; F384-F386 HydrophobicContact CB-CD2 4.22Å; F384-F386 HydrophobicContact CB-CE2 3.58Å; F384-F386 HydrophobicContact CB-CZ 4.03Å; F384-F386 HydrophobicContact CD1-CZ 4.43Å; F384-F386 HydrophobicContact CG-CE2 4.36Å; F384-S421 WeakPolarHBondContact O-CB 3.26Å; F384-S421 PolarHBondContact O-OG 3.3Å; F384-A423 HydrophobicContact CD2-CB 3.73Å; F384-A423 HydrophobicContact CE2-CB 3.6Å; F384-A423 HydrophobicContact CG-CB 4.28Å; F384-A423 HydrophobicContact CZ-CB 4.05Å
385	T	59.2	Low	66	Low	118 Å²	118	78.7 Å²	78.7	72%	0.724	45%	0.447	S	S	*	.			trans	-113.4	95	179.4	34.2	0	0	0	0	110.3	V383 G387	V383-T385 HydrophobicContact CG1-CG2 4.15Å; V383-T385 PolarHBondContact O-N 2.89Å; T385-G387 PolarHBondContact O-N 2.04Å
386	F	57.7	Low	66.7	Low	33 Å²	33	77 Å²	77	15%	0.145	43%	0.429	C	S	.	.			trans	-91.8	28	177.3	-58.7	-68.7	0	0	0	113.2	N335 T337 G342 R343 F384	N335-F386 HydrophobicContact CB-CB 4.16Å; N335-F386 PolarHBondContact ND2-O 2.88Å; N335-F386 WeakPolarHBondContact O-CD1 3.4Å; T337-F386 HydrophobicContact CG2-CE1 4.46Å; G342-F386 VanDerWaalsContact CA-CD2 3.43Å; R343-F386 HydrophobicContact CB-CB 4.34Å; R343-F386 PolarHBondContact NH1-O 2.87Å; R343-F386 VanDerWaalsContact NH1-O 3.09Å; F384-F386 HydrophobicContact CB-CD2 4.22Å; F384-F386 HydrophobicContact CB-CE2 3.58Å; F384-F386 HydrophobicContact CB-CZ 4.03Å; F384-F386 HydrophobicContact CD1-CZ 4.43Å; F384-F386 HydrophobicContact CG-CE2 4.36Å
387	G	60.1	Low	67.2	Low	50 Å²	50	80.7 Å²	80.7	52%	0.515	43%	0.432	S	S	.	.			trans	72.2	174.8	-174.4	0	0	0	0	0	114.1	R343 T385	R343-G387 WeakPolarHBondContact CD-O 3.22Å; T385-G387 PolarHBondContact O-N 2.04Å
388	D	68.3	Low	67.5	Low	74 Å²	74	79.9 Å²	79.9	40%	0.396	43%	0.427	S	S	.	.			trans	-107.8	154.4	178.1	-169.2	26.6	0	0	0	111.5	K354 G419	K354-D388 IonicContact NZ-OD1 2.62Å; K354-D388 PolarHBondContact NZ-OD1 3.44Å; K354-D388 IonicContact NZ-OD2 2.88Å; K354-D388 PolarHBondContact NZ-OD2 3Å; D388-G419 PolarHBondContact OD1-N 3.34Å
389	S	70.3	Confident	67.7	Low	7 Å²	7	78.1 Å²	78.1	5%	0.049	43%	0.427	C	S	.	.			trans	-101.7	144.4	-179.5	-173.2	0	0	0	0	111.2	E345 K354 L391	E345-S389 PolarHBondContact OE1-OG 2.89Å; K354-S389 PolarHBondContact NZ-O 3.3Å; S389-L391 PolarHBondContact O-N 2.94Å; S389-L391 WeakPolarHBondContact OG-CD1 3.25Å; S389-L391 VanDerWaalsContact OG-CG 3.24Å; S389-L391 WeakPolarHBondContact OG-CG 3.2Å; S389-L391 PolarHBondContact OG-N 3.11Å
390	P	76.2	Confident	68	Low	133 Å²	133	73.1 Å²	73.1	86%	0.864	43%	0.428	S	S	*	.	S	Bend	trans	-72.8	-3.7	173	31.6	-35.8	0	0	0	113.3
391	L	78.5	Confident	69.2	Low	51 Å²	51	72 Å²	72	27%	0.267	42%	0.422	S	S	.	.	S	Bend	trans	-65.5	156	-178.3	-64.6	174.4	0	0	0	113.2	E345 W352 K354 S389	E345-L391 HydrophobicContact CG-CD1 4.16Å; E345-L391 WeakPolarHBondContact OE2-CD1 3.44Å; W352-L391 HydrophobicContact CB-CD1 4.16Å; K354-L391 WeakPolarHBondContact CE-O 3.39Å; S389-L391 PolarHBondContact O-N 2.94Å; S389-L391 WeakPolarHBondContact OG-CD1 3.25Å; S389-L391 VanDerWaalsContact OG-CG 3.24Å; S389-L391 WeakPolarHBondContact OG-CG 3.2Å; S389-L391 PolarHBondContact OG-N 3.11Å
392	A	80.4	Confident	70.9	Confident	44 Å²	44	64.3 Å²	64.3	36%	0.364	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-60.9	142.6	175.3	0	0	0	0	0	111.2	G353 K354	G353-A392 CarbonylContact C-O 3.58Å; G353-A392 VanDerWaalsContact CA-O 3.25Å; G353-A392 WeakPolarHBondContact CA-O 3.1Å; K354-A392 PolarHBondContact N-O 3.31Å
393	G	84.6	Confident	72.1	Confident	9 Å²	9	62.8 Å²	62.8	9%	0.093	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139	-179	0	0	0	0	0	112.7	K354 S413	K354-G393 CarbonylContact O-C 3.58Å; K354-G393 WeakPolarHBondContact O-CA 3.36Å; G393-S413 VanDerWaalsContact O-CB 3.23Å; G393-S413 WeakPolarHBondContact O-CB 3.38Å; G393-S413 PolarHBondContact O-N 2.6Å
394	F	86.6	Confident	73.5	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.9	172.4	-65.9	-51.8	0	0	0	111.1	H348 R351 K354 I355 C356 V410 D411 E412	H348-F394 HydrophobicContact CB-CE2 4.05Å; H348-F394 HydrophobicContact CB-CZ 4.1Å; R351-F394 HydrophobicContact CG-CZ 4.47Å; K354-F394 PolarHBondContact O-N 3.02Å; I355-F394 HydrophobicContact CD1-CB 4.07Å; C356-F394 PolarHBondContact N-O 3.18Å; C356-F394 PolarHBondContact SG-O 2.91Å; F394-V410 HydrophobicContact CB-CG1 3.83Å; F394-V410 HydrophobicContact CD1-CG1 4.36Å; F394-V410 HydrophobicContact CG-CG1 4.05Å; F394-D411 CarbonylContact C-O 3.49Å; F394-D411 VanDerWaalsContact CA-O 3.28Å; F394-D411 WeakPolarHBondContact CA-O 3.17Å; F394-E412 HydrophobicContact CD1-CG 4.01Å; F394-E412 HydrophobicContact CE1-CG 3.73Å
395	I	83.2	Confident	74.6	Confident	38 Å²	38	53.9 Å²	53.9	20%	0.195	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.7	175.5	-68.8	172.8	0	0	0	107.7	S359 V410 D411	S359-I395 WeakPolarHBondContact OG-CA 3.42Å; I395-V410 CarbonylContact O-C 3.47Å; I395-V410 WeakPolarHBondContact O-CA 3.29Å; I395-D411 PolarHBondContact N-O 2.7Å; I395-D411 PolarHBondContact O-N 2.79Å
396	S	83.6	Confident	75.1	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.7	176.7	54.2	0	0	0	0	112	S359 V409	S359-S396 VanDerWaalsContact O-O 3.1Å; S359-S396 PolarHBondContact OG-N 2.93Å; S396-V409 CarbonylContact C-O 3.45Å; S396-V409 WeakPolarHBondContact CA-O 3.45Å
397	R	84.9	Confident	76	Confident	172 Å²	172	54.3 Å²	54.3	65%	0.649	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	106.4	168.8	-59.2	-178.1	-172.3	-166.3	3	110	C408 V409	R397-C408 WeakPolarHBondContact O-CB 3.49Å; R397-V409 HydrophobicContact CB-CB 4.46Å; R397-V409 PolarHBondContact N-O 3.49Å; R397-V409 PolarHBondContact O-N 3.08Å; R397-V409 VanDerWaalsContact O-N 3.11Å
398	C	80.8	Confident	77	Confident	19 Å²	19	52.4 Å²	52.4	13%	0.128	31%	0.314	C	S	.	.			trans	-101.5	140.5	-176.3	-63.9	0	0	0	0	112.5	T363 E364 V367 V402 C408	T363-C398 HydrophobicContact CG2-CB 4.3Å; E364-C398 HydrophobicContact CG-CB 4.19Å; E364-C398 PolarHBondContact OE1-N 2Å; V367-C398 HydrophobicContact CG2-CB 4.4Å; C398-V402 HydrophobicContact CB-CG2 4.26Å; C398-C408 WeakPolarHBondContact CA-SG 3.14Å; C398-C408 HydrophobicContact CB-CB 3.98Å; C398-C408 WeakPolarHBondContact CB-SG 3.22Å; C398-C408 WeakPolarHBondContact SG-CB 3.43Å; C398-C408 CovalentContact SG-SG 2.02Å; C398-C408 PolarHBondContact SG-SG 3.17Å
399	S	74.3	Confident	77.7	Confident	63 Å²	63	53 Å²	53	44%	0.441	32%	0.32	S	S	.	.			trans	-89.6	150.4	164	54.4	0	0	0	0	110.3	N401 V402	S399-N401 WeakPolarHBondContact CB-OD1 3.02Å; S399-N401 PolarHBondContact O-N 3.36Å; S399-N401 PolarHBondContact OG-OD1 3.42Å; S399-V402 VanDerWaalsContact O-CG2 3.3Å; S399-V402 WeakPolarHBondContact O-CG2 3.28Å; S399-V402 PolarHBondContact O-N 2.79Å; S399-V402 WeakPolarHBondContact OG-CG1 2.95Å
400	G	63.7	Low	78.1	Confident	78 Å²	78	53.2 Å²	53.2	80%	0.804	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	3.2	-174	0	0	0	0	0	116.7
401	N	71.2	Confident	78.4	Confident	135 Å²	135	51 Å²	51	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	5.1	-177.5	66	-23.8	0	0	0	114.1	S399	S399-N401 WeakPolarHBondContact CB-OD1 3.02Å; S399-N401 PolarHBondContact O-N 3.36Å; S399-N401 PolarHBondContact OG-OD1 3.42Å
402	V	78.1	Confident	78.5	Confident	21 Å²	21	53.7 Å²	53.7	13%	0.127	31%	0.313	C	S	.	.			trans	-88.9	152	179.1	-58.8	0	0	0	0	111.7	V367 C398 S399 Q407	V367-V402 HydrophobicContact CB-CG2 4.43Å; V367-V402 HydrophobicContact CG1-CG2 3.9Å; V367-V402 HydrophobicContact CG2-CG2 3.62Å; C398-V402 HydrophobicContact CB-CG2 4.26Å; S399-V402 VanDerWaalsContact O-CG2 3.3Å; S399-V402 WeakPolarHBondContact O-CG2 3.28Å; S399-V402 PolarHBondContact O-N 2.79Å; S399-V402 WeakPolarHBondContact OG-CG1 2.95Å; V402-Q407 HydrophobicContact CB-CB 4Å; V402-Q407 HydrophobicContact CG1-CB 4.07Å
403	S	69.8	Low	78.5	Confident	69 Å²	69	52.9 Å²	52.9	48%	0.483	31%	0.305	S	S	.	.	S	Bend	trans	-107.7	-12.9	-176.3	52.2	0	0	0	0	114.1	Q407	S403-Q407 PolarHBondContact OG-OE1 3.29Å
404	S	77.8	Confident	77.8	Confident	15 Å²	15	59.6 Å²	59.6	11%	0.105	34%	0.343	C	S	.	.	S	Bend	trans	-139.7	147.6	176.3	168	0	0	0	0	110.3	E371 T406 Q407	E371-S404 VanDerWaalsContact CD-OG 3.29Å; E371-S404 VanDerWaalsContact OE1-CB 3.23Å; E371-S404 WeakPolarHBondContact OE1-CB 3.29Å; E371-S404 PolarHBondContact OE1-OG 3.38Å; E371-S404 VanDerWaalsContact OE2-CA 3.31Å; E371-S404 WeakPolarHBondContact OE2-CA 3.44Å; S404-T406 PolarHBondContact O-N 3.1Å; S404-T406 PolarHBondContact OG-N 3.26Å; S404-T406 PolarHBondContact OG-OG1 3.08Å; S404-Q407 WeakPolarHBondContact O-CB 3.35Å; S404-Q407 PolarHBondContact O-N 3.37Å
405	I	77	Confident	76.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.9	175.9	-157	77.6	0	0	0	112.2	V331 V346 E364 L368 E371 Q407 C408	V331-I405 HydrophobicContact CG2-CB 4.47Å; V331-I405 HydrophobicContact CG2-CG2 3.39Å; V346-I405 HydrophobicContact CG1-CG2 3.74Å; V346-I405 HydrophobicContact CG2-CG2 4.02Å; E364-I405 HydrophobicContact CB-CD1 4.39Å; L368-I405 HydrophobicContact CD1-CB 4.24Å; L368-I405 HydrophobicContact CD1-CD1 4.2Å; L368-I405 HydrophobicContact CD1-CG1 4.22Å; L368-I405 HydrophobicContact CD1-CG2 4.45Å; E371-I405 PolarHBondContact OE2-N 3.35Å; I405-Q407 VanDerWaalsContact C-N 3.27Å; I405-Q407 PolarHBondContact O-N 3.05Å; I405-C408 WeakPolarHBondContact O-CB 3.07Å; I405-C408 PolarHBondContact O-N 3.38Å; I405-C408 VanDerWaalsContact O-N 3.16Å; I405-C408 PolarHBondContact O-SG 3.38Å
406	T	69.4	Low	76.1	Confident	50 Å²	50	71.9 Å²	71.9	31%	0.307	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-74.1	-17.6	176.5	60.5	0	0	0	0	113.7	N330 S404	N330-T406 HydrophobicContact CB-CG2 3.37Å; S404-T406 PolarHBondContact O-N 3.1Å; S404-T406 PolarHBondContact OG-N 3.26Å; S404-T406 PolarHBondContact OG-OG1 3.08Å
407	Q	76.8	Confident	76	Confident	109 Å²	109	72.6 Å²	72.6	51%	0.509	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-82.5	-7	172.1	-62.2	174	-26.6	0	0	111.8	V402 S403 S404 I405	V402-Q407 HydrophobicContact CB-CB 4Å; V402-Q407 HydrophobicContact CG1-CB 4.07Å; S403-Q407 PolarHBondContact OG-OE1 3.29Å; S404-Q407 WeakPolarHBondContact O-CB 3.35Å; S404-Q407 PolarHBondContact O-N 3.37Å; I405-Q407 VanDerWaalsContact C-N 3.27Å; I405-Q407 PolarHBondContact O-N 3.05Å
408	C	81.8	Confident	75.9	Confident	11 Å²	11	71.2 Å²	71.2	7%	0.074	41%	0.412	C	S	.	.	S	Bend	trans	-80.2	160.5	170.6	-51.3	0	0	0	0	110.7	R397 C398 I405 V410	R397-C408 WeakPolarHBondContact O-CB 3.49Å; C398-C408 WeakPolarHBondContact CA-SG 3.14Å; C398-C408 HydrophobicContact CB-CB 3.98Å; C398-C408 WeakPolarHBondContact CB-SG 3.22Å; C398-C408 WeakPolarHBondContact SG-CB 3.43Å; C398-C408 CovalentContact SG-SG 2.02Å; C398-C408 PolarHBondContact SG-SG 3.17Å; I405-C408 WeakPolarHBondContact O-CB 3.07Å; I405-C408 PolarHBondContact O-N 3.38Å; I405-C408 VanDerWaalsContact O-N 3.16Å; I405-C408 PolarHBondContact O-SG 3.38Å; C408-V410 PolarHBondContact O-N 2.87Å
409	V	82.8	Confident	75.8	Confident	86 Å²	86	71.1 Å²	71.1	52%	0.521	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.2	169.9	-178.8	0	0	0	0	107.5	S396 R397	S396-V409 CarbonylContact C-O 3.45Å; S396-V409 WeakPolarHBondContact CA-O 3.45Å; R397-V409 HydrophobicContact CB-CB 4.46Å; R397-V409 PolarHBondContact N-O 3.49Å; R397-V409 PolarHBondContact O-N 3.08Å; R397-V409 VanDerWaalsContact O-N 3.11Å
410	V	79.3	Confident	76.3	Confident	12 Å²	12	68.5 Å²	68.5	7%	0.073	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.9	-179.9	-176.9	0	0	0	0	109	F394 I395 C408	F394-V410 HydrophobicContact CB-CG1 3.83Å; F394-V410 HydrophobicContact CD1-CG1 4.36Å; F394-V410 HydrophobicContact CG-CG1 4.05Å; I395-V410 CarbonylContact O-C 3.47Å; I395-V410 WeakPolarHBondContact O-CA 3.29Å; C408-V410 PolarHBondContact O-N 2.87Å
411	D	81.4	Confident	77.2	Confident	85 Å²	85	66.4 Å²	66.4	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	156.1	-179.8	-69.3	-48.9	0	0	0	111.4	F394 I395	F394-D411 CarbonylContact C-O 3.49Å; F394-D411 VanDerWaalsContact CA-O 3.28Å; F394-D411 WeakPolarHBondContact CA-O 3.17Å; I395-D411 PolarHBondContact N-O 2.7Å; I395-D411 PolarHBondContact O-N 2.79Å
412	E	80.8	Confident	77.7	Confident	109 Å²	109	60.3 Å²	60.3	51%	0.509	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.3	171.7	-78.1	-179.6	-157.9	0	0	112.1	R351 F394	R351-E412 IonicContact CZ-OE1 3.91Å; R351-E412 IonicContact NE-OE1 2.69Å; R351-E412 IonicContact NH2-OE1 3.16Å; R351-E412 PolarHBondContact NH2-OE1 2.95Å; R351-E412 IonicContact NH2-OE2 3.09Å; R351-E412 PolarHBondContact NH2-OE2 3.17Å; F394-E412 HydrophobicContact CD1-CG 4.01Å; F394-E412 HydrophobicContact CE1-CG 3.73Å
413	S	79.9	Confident	77.5	Confident	26 Å²	26	59.8 Å²	59.8	18%	0.182	33%	0.333	C	S	.	.			trans	-78.8	135.3	176.4	-171.4	0	0	0	0	111.4	C356 G393 G415	C356-S413 WeakPolarHBondContact SG-CB 3.37Å; C356-S413 PolarHBondContact SG-OG 2.9Å; C356-S413 VanDerWaalsContact SG-OG 3.42Å; G393-S413 VanDerWaalsContact O-CB 3.23Å; G393-S413 WeakPolarHBondContact O-CB 3.38Å; G393-S413 PolarHBondContact O-N 2.6Å; S413-G415 PolarHBondContact O-N 2.73Å
414	V	70.4	Confident	77.7	Confident	150 Å²	150	56.6 Å²	56.6	91%	0.909	31%	0.311	S	S	*	.	S	Bend	trans	-86.2	101.4	175.4	-176.2	0	0	0	0	109.1
415	G	67.4	Low	76.8	Confident	61 Å²	61	58.2 Å²	58.2	63%	0.629	33%	0.325	S	S	*	.	S	Bend	trans	108.5	-171.2	177.5	0	0	0	0	0	114.4	S413	S413-G415 PolarHBondContact O-N 2.73Å
416	R	67.7	Low	75.7	Confident	237 Å²	237	59.2 Å²	59.2	89%	0.894	34%	0.336	S	S	*	.			trans	-87	124.9	179.6	-159.6	176.4	-175.9	176.7	1.2	109.3
417	C	81.1	Confident	75.1	Confident	17 Å²	17	59.8 Å²	59.8	12%	0.115	34%	0.337	C	S	.	.			trans	-122.6	158.4	175	74.2	0	0	0	0	110.6	K354 C356	K354-C417 WeakPolarHBondContact CE-O 3.41Å; K354-C417 PolarHBondContact NZ-O 3.37Å; C356-C417 VanDerWaalsContact CA-SG 3.57Å; C356-C417 HydrophobicContact CB-CB 3.61Å; C356-C417 WeakPolarHBondContact CB-SG 3.27Å; C356-C417 WeakPolarHBondContact SG-CB 3.42Å; C356-C417 CovalentContact SG-SG 2.03Å; C356-C417 PolarHBondContact SG-SG 3.31Å
418	E	81.9	Confident	74.1	Confident	143 Å²	143	55.4 Å²	55.4	67%	0.668	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-82.4	135.5	171.8	-69.5	-176.9	167.9	0	0	110.3	S357	S357-E418 PolarHBondContact N-O 3.22Å
419	G	79.8	Confident	73.3	Confident	17 Å²	17	57.9 Å²	57.9	18%	0.175	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-73.2	155.1	175.5	0	0	0	0	0	112.9	I355 D388	I355-G419 WeakPolarHBondContact O-CA 3.26Å; D388-G419 PolarHBondContact OD1-N 3.34Å
420	V	84.3	Confident	73.2	Confident	8 Å²	8	55 Å²	55	5%	0.048	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-91.2	149.3	177.9	-61.3	0	0	0	0	112.8	V344 I355 W360	V344-V420 HydrophobicContact CB-CG2 3.78Å; V344-V420 HydrophobicContact CG2-CG2 3.94Å; V344-V420 PolarHBondContact N-O 2.75Å; I355-V420 HydrophobicContact CB-CG2 3.94Å; I355-V420 HydrophobicContact CG2-CG2 4.3Å; I355-V420 PolarHBondContact O-N 3.4Å; I355-V420 VanDerWaalsContact O-N 3.16Å; W360-V420 HydrophobicContact CB-CG1 3.61Å; W360-V420 HydrophobicContact CD2-CB 4.07Å; W360-V420 HydrophobicContact CD2-CG1 3.98Å; W360-V420 HydrophobicContact CD2-CG2 3.8Å; W360-V420 HydrophobicContact CE3-CB 4.48Å; W360-V420 HydrophobicContact CE3-CG1 4.46Å; W360-V420 HydrophobicContact CE3-CG2 3.74Å; W360-V420 HydrophobicContact CG-CB 4.14Å; W360-V420 HydrophobicContact CG-CG1 3.62Å; W360-V420 HydrophobicContact CG-CG2 4.35Å; W360-V420 HydrophobicContact CH2-CG2 4.26Å; W360-V420 HydrophobicContact CZ2-CG2 4.33Å; W360-V420 HydrophobicContact CZ3-CG2 3.97Å
421	S	83.7	Confident	73.4	Confident	33 Å²	33	59.1 Å²	59.1	23%	0.231	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.8	170.4	-70.1	0	0	0	0	109	G342 F384	G342-S421 WeakPolarHBondContact O-CA 3.48Å; F384-S421 WeakPolarHBondContact O-CB 3.26Å; F384-S421 PolarHBondContact O-OG 3.3Å
422	I	79.9	Confident	73.9	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.2	178.2	-160.3	173.6	0	0	0	109.8	L333 S341 G342 V344 W360 A365 L368 C369	L333-I422 HydrophobicContact CD1-CG2 4.02Å; L333-I422 HydrophobicContact CD2-CG2 3.59Å; L333-I422 HydrophobicContact CG-CG2 4.5Å; S341-I422 CarbonylContact C-O 3.55Å; S341-I422 WeakPolarHBondContact CA-O 3.47Å; G342-I422 PolarHBondContact N-O 2.79Å; G342-I422 PolarHBondContact O-N 3.13Å; V344-I422 HydrophobicContact CG2-CB 3.9Å; V344-I422 HydrophobicContact CG2-CG2 3.62Å; W360-I422 HydrophobicContact CH2-CD1 4.28Å; W360-I422 HydrophobicContact CZ2-CB 4.4Å; W360-I422 HydrophobicContact CZ2-CD1 3.86Å; W360-I422 HydrophobicContact CZ2-CG1 4.3Å; A365-I422 HydrophobicContact CB-CD1 4.22Å; L368-I422 HydrophobicContact CB-CD1 4.17Å; L368-I422 HydrophobicContact CD2-CD1 3.6Å; L368-I422 HydrophobicContact CD2-CG2 3.89Å; C369-I422 WeakPolarHBondContact SG-CD1 3.38Å
423	A	74.3	Confident	74.4	Confident	9 Å²	9	52.9 Å²	52.9	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.8	163.4	0	0	0	0	0	107.4	K378 F384	K378-A423 WeakPolarHBondContact CB-O 3.23Å; K378-A423 HydrophobicContact CD-CB 4.16Å; K378-A423 PolarHBondContact N-O 2.79Å; F384-A423 HydrophobicContact CD2-CB 3.73Å; F384-A423 HydrophobicContact CE2-CB 3.6Å; F384-A423 HydrophobicContact CG-CB 4.28Å; F384-A423 HydrophobicContact CZ-CB 4.05Å
424	C	74.3	Confident	74.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.02	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-92.7	164.7	177.1	-54.6	0	0	0	0	109.9	C340 C369 C374 T376 K378 G426	C340-C424 HydrophobicContact CB-CB 4.26Å; C340-C424 PolarHBondContact O-N 2.69Å; C369-C424 WeakPolarHBondContact CA-SG 3.01Å; C369-C424 HydrophobicContact CB-CB 3.82Å; C369-C424 WeakPolarHBondContact CB-SG 3.37Å; C369-C424 WeakPolarHBondContact SG-CB 3.35Å; C369-C424 CovalentContact SG-SG 2.04Å; C369-C424 PolarHBondContact SG-SG 3.26Å; C374-C424 HydrophobicContact CB-CB 3.38Å; C374-C424 VanDerWaalsContact O-CB 3.26Å; C374-C424 WeakPolarHBondContact O-CB 3.21Å; T376-C424 CarbonylContact O-C 3.54Å; K378-C424 VanDerWaalsContact CE-O 3.23Å; K378-C424 WeakPolarHBondContact CE-O 3.47Å; C424-G426 PolarHBondContact O-N 3.36Å
425	A	58.9	Low	75.5	Confident	48 Å²	48	51.1 Å²	51.1	40%	0.397	29%	0.293	S	S	.	.			trans	-65.6	-23.3	-177	0	0	0	0	0	113.4	C374 T376	C374-A425 PolarHBondContact O-N 3.28Å; T376-A425 WeakPolarHBondContact O-CB 3.2Å; T376-A425 PolarHBondContact O-N 2.93Å
426	G	54.3	Low	76.1	Confident	22 Å²	22	54.2 Å²	54.2	23%	0.227	30%	0.3	C	S	.	.			trans	77.8	148.6	-169.3	0	0	0	0	0	111.3	C374 C424	C374-G426 PolarHBondContact O-N 3.33Å; C424-G426 PolarHBondContact O-N 3.36Å
427	N	56.3	Low	76.6	Confident	61 Å²	61	46.5 Å²	46.5	33%	0.326	28%	0.277	S	S	.	.	S	Bend	trans	-66.3	157.3	-178.1	-114.2	-14.4	0	0	0	112.5	N373	N373-N427 PolarHBondContact ND2-ND2 3.24Å; N373-N427 PolarHBondContact O-ND2 2.82Å
428	P	56.4	Low	76.6	Confident	17 Å²	17	51.1 Å²	51.1	11%	0.11	29%	0.292	C	S	.	.	S	Bend		-47.2	148.3	-111.8	27.2	-33.6	0	0	0	115.4	I430 V445 L446 L507	P428-I430 PolarHBondContact O-N 2.84Å; P428-I430 VanDerWaalsContact O-N 3.16Å; P428-V445 HydrophobicContact CB-CG1 4.13Å; P428-V445 HydrophobicContact CG-CG1 3.58Å; P428-L446 WeakPolarHBondContact CB-O 3.19Å; P428-L507 HydrophobicContact CG-CD1 3.72Å; P428-L507 HydrophobicContact CG-CD2 4.42Å; P428-L507 HydrophobicContact CG-CG 4.17Å
429	P	64.3	Low	76.8	Confident	63 Å²	63	44.3 Å²	44.3	41%	0.409	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-48	123.5	174.3	-28.2	34.1	0	0	0	112	L446 W451	P429-L446 HydrophobicContact CB-CB 4.13Å; P429-L446 HydrophobicContact CB-CD2 4.25Å; P429-L446 HydrophobicContact CG-CB 4.3Å; P429-L446 HydrophobicContact CG-CD2 3.73Å; P429-L446 PolarHBondContact O-N 3.47Å; P429-W451 HydrophobicContact CB-CH2 3.59Å; P429-W451 HydrophobicContact CB-CZ2 4.07Å; P429-W451 HydrophobicContact CB-CZ3 4.45Å; P429-W451 VanDerWaalsContact O-CH2 3.25Å; P429-W451 WeakPolarHBondContact O-CH2 3.17Å; P429-W451 WeakPolarHBondContact O-CZ3 3.4Å
430	I	81.7	Confident	77.3	Confident	27 Å²	27	43.6 Å²	43.6	14%	0.138	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.7	167.1	-57.8	178.1	0	0	0	107.2	P428 V443 E444 V445 V467 A470 L471 L506	P428-I430 PolarHBondContact O-N 2.84Å; P428-I430 VanDerWaalsContact O-N 3.16Å; I430-V443 HydrophobicContact CG2-CG1 4.02Å; I430-E444 WeakPolarHBondContact CA-O 3.17Å; I430-V445 HydrophobicContact CG1-CG2 4.35Å; I430-V467 HydrophobicContact CG2-CG1 4.15Å; I430-A470 HydrophobicContact CD1-CB 4.11Å; I430-L471 HydrophobicContact CG2-CD2 4.46Å; I430-L506 HydrophobicContact CD1-CD1 4.26Å; I430-L506 HydrophobicContact CD1-CG 4.16Å
431	R	83.6	Confident	77.8	Confident	97 Å²	97	43.2 Å²	43.2	37%	0.366	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.7	169	73.3	-177	-177.1	-172.8	-0.4	110.3	V433 E444 W451	R431-V433 HydrophobicContact CG-CG2 3.84Å; R431-E444 HydrophobicContact CG-CB 3.98Å; R431-E444 IonicContact CZ-OE2 3.66Å; R431-E444 PolarHBondContact N-O 2.74Å; R431-E444 IonicContact NE-OE2 3.33Å; R431-E444 PolarHBondContact NE-OE2 3.16Å; R431-E444 IonicContact NH2-OE2 3.87Å; R431-E444 PolarHBondContact NH2-OE2 3.13Å; R431-E444 PolarHBondContact O-N 3.37Å; R431-W451 HydrophobicContact CB-CH2 3.83Å; R431-W451 HydrophobicContact CB-CZ3 3.93Å; R431-W451 HydrophobicContact CG-CD2 4.42Å; R431-W451 HydrophobicContact CG-CE3 3.83Å; R431-W451 HydrophobicContact CG-CH2 3.74Å; R431-W451 HydrophobicContact CG-CZ2 4.36Å; R431-W451 HydrophobicContact CG-CZ3 3.46Å; R431-W451 VanDerWaalsContact CG-CZ3 3.46Å
432	V	90.3	Very high	78.4	Confident	28 Å²	28	42.3 Å²	42.3	17%	0.17	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.8	166.5	-73.6	0	0	0	0	110.2	R438 R442 L471 V527	V432-R438 WeakPolarHBondContact CG2-O 3.46Å; V432-R442 CarbonylContact C-O 3.48Å; V432-R442 VanDerWaalsContact CA-O 3.25Å; V432-R442 WeakPolarHBondContact CA-O 3.36Å; V432-L471 HydrophobicContact CB-CD1 4.42Å; V432-L471 HydrophobicContact CG1-CD1 3.62Å; V432-L471 HydrophobicContact CG2-CD1 3.99Å; V432-V527 HydrophobicContact CG1-CG2 4.22Å
433	V	91.6	Very high	79.2	Confident	35 Å²	35	41.9 Å²	41.9	21%	0.212	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.6	-175.6	-170	0	0	0	0	110.2	R431 G435 G441 R442 E444	R431-V433 HydrophobicContact CG-CG2 3.84Å; V433-G435 VanDerWaalsContact C-N 3.28Å; V433-G435 PolarHBondContact O-N 2.83Å; V433-G441 CarbonylContact O-C 3.59Å; V433-G441 VanDerWaalsContact O-CA 3.29Å; V433-G441 WeakPolarHBondContact O-CA 3.47Å; V433-R442 PolarHBondContact N-O 3.41Å; V433-R442 PolarHBondContact O-N 2.98Å; V433-E444 HydrophobicContact CG2-CG 4.41Å
434	N	87.1	Confident	80.1	Confident	107 Å²	107	42 Å²	42	57%	0.572	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	61	24.3	177.4	-64.1	-11.8	0	0	0	116.1	R442 F485	N434-R442 PolarHBondContact ND2-NH1 3.07Å; N434-F485 HydrophobicContact CB-CB 4.32Å; N434-F485 WeakPolarHBondContact CB-O 3.4Å; N434-F485 PolarHBondContact ND2-O 2.83Å; N434-F485 WeakPolarHBondContact O-CD1 3.36Å
435	G	86.8	Confident	80.7	Confident	32 Å²	32	42 Å²	42	33%	0.33	24%	0.238	S	C	.	.	S	Bend	trans	-88.1	-175.1	170.1	0	0	0	0	0	114.4	V433 S440	V433-G435 VanDerWaalsContact C-N 3.28Å; V433-G435 PolarHBondContact O-N 2.83Å; G435-S440 VanDerWaalsContact CA-O 3.27Å; G435-S440 WeakPolarHBondContact CA-O 3.45Å
436	T	80.3	Confident	81.5	Confident	127 Å²	127	42 Å²	42	78%	0.779	23%	0.231	S	C	*	.	S	Bend	trans	-82.7	-22.3	178.4	46.1	0	0	0	0	112.9	S440	T436-S440 PolarHBondContact N-OG 3.41Å; T436-S440 VanDerWaalsContact N-OG 3.12Å; T436-S440 PolarHBondContact OG1-OG 3.42Å; T436-S440 VanDerWaalsContact OG1-OG 3.11Å
437	D	78.2	Confident	82.2	Confident	75 Å²	75	42.9 Å²	42.9	40%	0.401	23%	0.229	S	C	.	.	S	Bend	trans	-151.5	-174.4	-179.8	56.9	41	0	0	0	111.3	C439 S440	D437-C439 PolarHBondContact O-N 2.77Å; D437-C439 VanDerWaalsContact O-N 3.16Å; D437-C439 VanDerWaalsContact OD1-C 3.26Å; D437-C439 WeakPolarHBondContact OD1-CA 3.48Å; D437-C439 PolarHBondContact OD1-N 2.87Å; D437-S440 PolarHBondContact N-OG 2.88Å; D437-S440 VanDerWaalsContact N-OG 3.14Å; D437-S440 PolarHBondContact OD1-N 3.2Å; D437-S440 PolarHBondContact OD1-OG 3.02Å
438	R	80.5	Confident	82.1	Confident	114 Å²	114	46.4 Å²	46.4	43%	0.43	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.7	-179.5	75	177.1	-178.7	92.4	-0.7	114.3	V432 D472	V432-R438 WeakPolarHBondContact CG2-O 3.46Å; R438-D472 PolarHBondContact NH1-O 3.11Å
439	C	85.5	Confident	82	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	16	-169.9	-70.6	0	0	0	0	112.1	D437 C473 C529 A531	D437-C439 PolarHBondContact O-N 2.77Å; D437-C439 VanDerWaalsContact O-N 3.16Å; D437-C439 VanDerWaalsContact OD1-C 3.26Å; D437-C439 WeakPolarHBondContact OD1-CA 3.48Å; D437-C439 PolarHBondContact OD1-N 2.87Å; C439-C473 WeakPolarHBondContact CA-SG 3.36Å; C439-C473 HydrophobicContact CB-CB 3.54Å; C439-C473 WeakPolarHBondContact CB-SG 3.35Å; C439-C473 VanDerWaalsContact SG-CA 3.58Å; C439-C473 WeakPolarHBondContact SG-CB 3.41Å; C439-C473 CovalentContact SG-SG 2.03Å; C439-C473 PolarHBondContact SG-SG 3.42Å; C439-C529 HydrophobicContact CB-CB 4.16Å; C439-C529 WeakPolarHBondContact O-CB 3.35Å; C439-C529 PolarHBondContact O-N 2.03Å; C439-C529 PolarHBondContact O-SG 2.91Å; C439-A531 HydrophobicContact CB-CB 3.47Å; C439-A531 VanDerWaalsContact CB-CB 3.47Å
440	S	90.6	Very high	82.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.4	175.4	50.6	0	0	0	0	109.5	G435 T436 D437 V527	G435-S440 VanDerWaalsContact CA-O 3.27Å; G435-S440 WeakPolarHBondContact CA-O 3.45Å; T436-S440 PolarHBondContact N-OG 3.41Å; T436-S440 VanDerWaalsContact N-OG 3.12Å; T436-S440 PolarHBondContact OG1-OG 3.42Å; T436-S440 VanDerWaalsContact OG1-OG 3.11Å; D437-S440 PolarHBondContact N-OG 2.88Å; D437-S440 VanDerWaalsContact N-OG 3.14Å; D437-S440 PolarHBondContact OD1-N 3.2Å; D437-S440 PolarHBondContact OD1-OG 3.02Å; S440-V527 VanDerWaalsContact CA-O 3.32Å; S440-V527 WeakPolarHBondContact CA-O 3.27Å
441	G	95	Very high	82.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.9	-179	176	0	0	0	0	0	114.2	V433 F485 G526 V527	V433-G441 CarbonylContact O-C 3.59Å; V433-G441 VanDerWaalsContact O-CA 3.29Å; V433-G441 WeakPolarHBondContact O-CA 3.47Å; G441-F485 WeakPolarHBondContact O-CD2 2.88Å; G441-G526 CarbonylContact O-C 3.57Å; G441-G526 VanDerWaalsContact O-CA 3.28Å; G441-G526 WeakPolarHBondContact O-CA 3.48Å; G441-V527 PolarHBondContact N-O 3.5Å; G441-V527 PolarHBondContact O-N 2.87Å
442	R	96.6	Very high	82.6	Confident	14 Å²	14	49.6 Å²	49.6	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135	171.6	-179.4	178.1	60.2	-99.2	-4.6	109.9	V432 V433 N434 E444 F485 G486 D524 A525	V432-R442 CarbonylContact C-O 3.48Å; V432-R442 VanDerWaalsContact CA-O 3.25Å; V432-R442 WeakPolarHBondContact CA-O 3.36Å; V433-R442 PolarHBondContact N-O 3.41Å; V433-R442 PolarHBondContact O-N 2.98Å; N434-R442 PolarHBondContact ND2-NH1 3.07Å; R442-E444 IonicContact CZ-OE1 3.66Å; R442-E444 IonicContact NE-OE1 2.99Å; R442-E444 PolarHBondContact NE-OE1 2.63Å; R442-E444 VanDerWaalsContact NE-OE1 3.08Å; R442-E444 IonicContact NH2-OE1 3.99Å; R442-E444 PolarHBondContact NH2-OE1 3.28Å; R442-F485 HydrophobicContact CB-CB 4.09Å; R442-F485 PolarHBondContact NH1-O 2.97Å; R442-G486 WeakPolarHBondContact CD-O 3.3Å; R442-G486 PolarHBondContact NH1-O 3.38Å; R442-D524 HydrophobicContact CG-CB 4.07Å; R442-A525 WeakPolarHBondContact CA-O 3.48Å
443	V	95.8	Very high	82.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.3	-179.9	-173.7	0	0	0	0	110.2	I430 V454 W459 V467 L506 A525 V527	I430-V443 HydrophobicContact CG2-CG1 4.02Å; V443-V454 HydrophobicContact CB-CB 4.44Å; V443-V454 HydrophobicContact CB-CG2 4.26Å; V443-V454 HydrophobicContact CG1-CB 4.45Å; V443-V454 HydrophobicContact CG1-CG2 3.81Å; V443-W459 HydrophobicContact CG2-CH2 4.43Å; V443-W459 HydrophobicContact CG2-CZ2 4.09Å; V443-V467 HydrophobicContact CG1-CG1 4.49Å; V443-V467 HydrophobicContact CG1-CG2 4.19Å; V443-V467 HydrophobicContact CG2-CG1 4.28Å; V443-V467 HydrophobicContact CG2-CG2 4.4Å; V443-L506 HydrophobicContact CG1-CD1 4.22Å; V443-A525 PolarHBondContact N-O 2.73Å; V443-V527 HydrophobicContact CG2-CG1 3.23Å
444	E	93.7	Very high	83	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.7	172.3	-66.4	177.5	-171.6	0	0	109.9	I430 R431 V433 R442 W451 G452 T453	I430-E444 WeakPolarHBondContact CA-O 3.17Å; R431-E444 HydrophobicContact CG-CB 3.98Å; R431-E444 IonicContact CZ-OE2 3.66Å; R431-E444 PolarHBondContact N-O 2.74Å; R431-E444 IonicContact NE-OE2 3.33Å; R431-E444 PolarHBondContact NE-OE2 3.16Å; R431-E444 IonicContact NH2-OE2 3.87Å; R431-E444 PolarHBondContact NH2-OE2 3.13Å; R431-E444 PolarHBondContact O-N 3.37Å; V433-E444 HydrophobicContact CG2-CG 4.41Å; R442-E444 IonicContact CZ-OE1 3.66Å; R442-E444 IonicContact NE-OE1 2.99Å; R442-E444 PolarHBondContact NE-OE1 2.63Å; R442-E444 VanDerWaalsContact NE-OE1 3.08Å; R442-E444 IonicContact NH2-OE1 3.99Å; R442-E444 PolarHBondContact NH2-OE1 3.28Å; E444-W451 HydrophobicContact CB-CE3 3.94Å; E444-W451 HydrophobicContact CB-CZ3 4.49Å; E444-W451 WeakPolarHBondContact O-CZ3 3.43Å; E444-G452 CarbonylContact C-O 3.5Å; E444-G452 VanDerWaalsContact CA-O 3.25Å; E444-G452 WeakPolarHBondContact CA-O 3.49Å; E444-T453 HydrophobicContact CG-CG2 4.13Å
445	V	87.9	Confident	83.5	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.5	-178.6	-176.1	0	0	0	0	109.2	P428 I430 G452 V454 W493 L494 L506	P428-V445 HydrophobicContact CB-CG1 4.13Å; P428-V445 HydrophobicContact CG-CG1 3.58Å; I430-V445 HydrophobicContact CG1-CG2 4.35Å; V445-G452 PolarHBondContact N-O 3.34Å; V445-G452 PolarHBondContact O-N 2.93Å; V445-V454 HydrophobicContact CG2-CG2 3.72Å; V445-W493 VanDerWaalsContact O-CD1 3.29Å; V445-L494 HydrophobicContact CG2-CD1 3.94Å; V445-L506 HydrophobicContact CG2-CD1 4.43Å
446	L	75	Confident	83.8	Confident	47 Å²	47	40.9 Å²	40.9	25%	0.246	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	104.4	177.7	-178.6	68.2	0	0	0	111.4	P428 P429 W451	P428-L446 WeakPolarHBondContact CB-O 3.19Å; P429-L446 HydrophobicContact CB-CB 4.13Å; P429-L446 HydrophobicContact CB-CD2 4.25Å; P429-L446 HydrophobicContact CG-CB 4.3Å; P429-L446 HydrophobicContact CG-CD2 3.73Å; P429-L446 PolarHBondContact O-N 3.47Å; L446-W451 HydrophobicContact CB-CD2 4.09Å; L446-W451 HydrophobicContact CB-CE3 4Å; L446-W451 HydrophobicContact CB-CH2 4.07Å; L446-W451 HydrophobicContact CB-CZ2 4.12Å; L446-W451 HydrophobicContact CB-CZ3 3.98Å; L446-W451 HydrophobicContact CD1-CD2 4.13Å; L446-W451 HydrophobicContact CD1-CG 4.12Å
447	H	68.6	Low	84.4	Confident	41 Å²	41	37.2 Å²	37.2	19%	0.19	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.6	175.5	-171.2	63.8	0	0	0	110.8	G449 Q450 W493 F514	H447-G449 PolarHBondContact O-N 2.65Å; H447-Q450 PolarHBondContact N-O 2.7Å; H447-Q450 PolarHBondContact O-N 3.4Å; H447-W493 HydrophobicContact CB-CD2 3.85Å; H447-W493 HydrophobicContact CB-CE3 4.45Å; H447-W493 HydrophobicContact CB-CG 3.91Å; H447-W493 HydrophobicContact CB-CZ2 4.49Å; H447-W493 AromaticContact CD2-CE3 3.9Å; H447-F514 HydrophobicContact CB-CD1 4.08Å; H447-F514 HydrophobicContact CB-CE1 3.86Å; H447-F514 HydrophobicContact CB-CZ 4.42Å; H447-F514 AromaticContact CD2-CD1 3.69Å; H447-F514 AromaticContact CD2-CG 3.63Å; H447-F514 AromaticContact CE1-CD2 3.36Å; H447-F514 WeakPolarHBondContact CE1-CD2 3.37Å; H447-F514 AromaticContact CE1-CE2 3.48Å; H447-F514 VanDerWaalsContact CE1-CE2 3.48Å; H447-F514 WeakPolarHBondContact CE1-CE2 3.31Å; H447-F514 AromaticContact CE1-CG 3.68Å; H447-F514 AromaticContact CE1-CZ 3.9Å; H447-F514 AromaticContact CG-CD1 3.63Å; H447-F514 AromaticContact CG-CE1 3.65Å; H447-F514 AromaticContact CG-CG 3.91Å; H447-F514 AromaticContact CG-CZ 3.94Å; H447-F514 AromaticContact ND1-CD1 3.91Å; H447-F514 AromaticContact ND1-CD2 3.79Å; H447-F514 AromaticContact ND1-CE1 3.69Å; H447-F514 AromaticContact ND1-CE2 3.54Å; H447-F514 AromaticContact ND1-CG 3.94Å; H447-F514 AromaticContact ND1-CZ 3.46Å; H447-F514 WeakPolarHBondContact ND1-CZ 3.02Å; H447-F514 AromaticContact NE2-CD1 4Å; H447-F514 AromaticContact NE2-CD2 3.57Å; H447-F514 AromaticContact NE2-CG 3.47Å; H447-F514 WeakPolarHBondContact NE2-CG 3.47Å
448	D	54.3	Low	84.9	Confident	136 Å²	136	39 Å²	39	73%	0.727	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	34.7	-177.4	-73.9	-11.6	0	0	0	115.4	Q450	D448-Q450 VanDerWaalsContact C-N 3.27Å; D448-Q450 PolarHBondContact O-N 2.9Å
449	G	54.7	Low	85.6	Confident	70 Å²	70	34.2 Å²	34.2	72%	0.722	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.2	179.8	0	0	0	0	0	114.7	H447	H447-G449 PolarHBondContact O-N 2.65Å
450	Q	69.1	Low	85.6	Confident	117 Å²	117	36 Å²	36	55%	0.547	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.2	178.1	-57.8	-168.2	23.6	0	0	111.8	H447 D448 W493	H447-Q450 PolarHBondContact N-O 2.7Å; H447-Q450 PolarHBondContact O-N 3.4Å; D448-Q450 VanDerWaalsContact C-N 3.27Å; D448-Q450 PolarHBondContact O-N 2.9Å; Q450-W493 HydrophobicContact CB-CZ2 4.34Å; Q450-W493 PolarHBondContact O-NE1 2.8Å; Q450-W493 VanDerWaalsContact O-NE1 3.11Å
451	W	84.1	Confident	85.3	Confident	82 Å²	82	38.6 Å²	38.6	31%	0.311	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.5	173.1	-72.1	97.3	0	0	0	109.2	P429 R431 E444 L446	P429-W451 HydrophobicContact CB-CH2 3.59Å; P429-W451 HydrophobicContact CB-CZ2 4.07Å; P429-W451 HydrophobicContact CB-CZ3 4.45Å; P429-W451 VanDerWaalsContact O-CH2 3.25Å; P429-W451 WeakPolarHBondContact O-CH2 3.17Å; P429-W451 WeakPolarHBondContact O-CZ3 3.4Å; R431-W451 HydrophobicContact CB-CH2 3.83Å; R431-W451 HydrophobicContact CB-CZ3 3.93Å; R431-W451 HydrophobicContact CG-CD2 4.42Å; R431-W451 HydrophobicContact CG-CE3 3.83Å; R431-W451 HydrophobicContact CG-CH2 3.74Å; R431-W451 HydrophobicContact CG-CZ2 4.36Å; R431-W451 HydrophobicContact CG-CZ3 3.46Å; R431-W451 VanDerWaalsContact CG-CZ3 3.46Å; E444-W451 HydrophobicContact CB-CE3 3.94Å; E444-W451 HydrophobicContact CB-CZ3 4.49Å; E444-W451 WeakPolarHBondContact O-CZ3 3.43Å; L446-W451 HydrophobicContact CB-CD2 4.09Å; L446-W451 HydrophobicContact CB-CE3 4Å; L446-W451 HydrophobicContact CB-CH2 4.07Å; L446-W451 HydrophobicContact CB-CZ2 4.12Å; L446-W451 HydrophobicContact CB-CZ3 3.98Å; L446-W451 HydrophobicContact CD1-CD2 4.13Å; L446-W451 HydrophobicContact CD1-CG 4.12Å
452	G	89.1	Confident	84.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164.6	173	0	0	0	0	0	111.1	E444 V445 D491 W493	E444-G452 CarbonylContact C-O 3.5Å; E444-G452 VanDerWaalsContact CA-O 3.25Å; E444-G452 WeakPolarHBondContact CA-O 3.49Å; V445-G452 PolarHBondContact N-O 3.34Å; V445-G452 PolarHBondContact O-N 2.93Å; G452-D491 CarbonylContact C-O 3.59Å; G452-D491 WeakPolarHBondContact CA-O 3.46Å; G452-W493 VanDerWaalsContact N-CD1 3.26Å
453	T	94.9	Very high	84.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	173.5	-174.2	58.7	0	0	0	0	112.1	E444 D491 I492 W493 H521 D524	E444-T453 HydrophobicContact CG-CG2 4.13Å; T453-D491 PolarHBondContact N-O 2.77Å; T453-I492 WeakPolarHBondContact OG1-CG1 3.5Å; T453-W493 PolarHBondContact O-N 2.93Å; T453-H521 PolarHBondContact OG1-CE1 3.39Å; T453-H521 PolarHBondContact OG1-ND1 3.16Å; T453-D524 WeakPolarHBondContact CB-OD1 3.45Å; T453-D524 PolarHBondContact OG1-OD1 3.33Å
454	V	96.3	Very high	84.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.7	175.7	179.2	0	0	0	0	107.5	V443 V445 W459 L494 V497 L506 D524 A525	V443-V454 HydrophobicContact CB-CB 4.44Å; V443-V454 HydrophobicContact CB-CG2 4.26Å; V443-V454 HydrophobicContact CG1-CB 4.45Å; V443-V454 HydrophobicContact CG1-CG2 3.81Å; V445-V454 HydrophobicContact CG2-CG2 3.72Å; V454-W459 HydrophobicContact CG1-CE3 4.05Å; V454-W459 HydrophobicContact CG1-CH2 4.49Å; V454-W459 HydrophobicContact CG1-CZ3 3.77Å; V454-L494 HydrophobicContact CB-CB 4.45Å; V454-L494 HydrophobicContact CG1-CB 4.04Å; V454-L494 HydrophobicContact CG2-CB 4.19Å; V454-L494 HydrophobicContact CG2-CD1 4.08Å; V454-L494 HydrophobicContact CG2-CG 4.39Å; V454-V497 HydrophobicContact CG1-CG2 3.99Å; V454-L506 HydrophobicContact CG2-CD1 4.4Å; V454-D524 WeakPolarHBondContact O-CA 3.42Å; V454-A525 HydrophobicContact CB-CB 4.33Å; V454-A525 HydrophobicContact CG1-CB 4.28Å; V454-A525 WeakPolarHBondContact O-CB 3.44Å; V454-A525 PolarHBondContact O-N 3.01Å
455	C	95.9	Very high	83.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-73.1	151.7	175.8	-170.3	0	0	0	0	111.8	D457 I492 L494 D495 C519 E523	C455-D457 PolarHBondContact SG-N 2.77Å; C455-I492 HydrophobicContact CB-CG2 4.26Å; C455-L494 PolarHBondContact N-O 3.06Å; C455-D495 HydrophobicContact CB-CB 4.4Å; C455-D495 WeakPolarHBondContact CB-OD1 3.06Å; C455-C519 HydrophobicContact CB-CB 3.75Å; C455-C519 WeakPolarHBondContact CB-SG 2.99Å; C455-C519 WeakPolarHBondContact SG-CB 3.48Å; C455-C519 CovalentContact SG-SG 2.01Å; C455-C519 PolarHBondContact SG-SG 3.37Å; C455-E523 CarbonylContact C-O 3.49Å; C455-E523 WeakPolarHBondContact CA-O 3.46Å
456	D	94.4	Very high	83.5	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.102	23%	0.228	C	C	.	.			trans	-91.8	1.7	178.1	73.5	-11.4	0	0	0	114.4	E458 W459 T481 S482 E523 A525	D456-E458 PolarHBondContact O-N 2.82Å; D456-W459 VanDerWaalsContact CA-CB 3.49Å; D456-W459 HydrophobicContact CB-CB 4.18Å; D456-W459 VanDerWaalsContact O-CB 3.23Å; D456-W459 WeakPolarHBondContact O-CB 3.42Å; D456-W459 PolarHBondContact O-N 2.86Å; D456-W459 VanDerWaalsContact O-N 3.09Å; D456-T481 HydrophobicContact CB-CG2 3.97Å; D456-T481 VanDerWaalsContact OD2-CA 3.3Å; D456-T481 WeakPolarHBondContact OD2-CA 3.39Å; D456-T481 WeakPolarHBondContact OD2-CB 3.42Å; D456-S482 PolarHBondContact OD2-N 3.16Å; D456-E523 VanDerWaalsContact CB-O 3.3Å; D456-E523 WeakPolarHBondContact CB-O 3.33Å; D456-E523 PolarHBondContact N-O 3.09Å; D456-E523 WeakPolarHBondContact OD1-CA 3.04Å; D456-E523 WeakPolarHBondContact OD1-CB 3.32Å; D456-A525 HydrophobicContact CB-CB 4.16Å
457	D	92.1	Very high	84.2	Confident	50 Å²	50	42.3 Å²	42.3	27%	0.267	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	129.8	167.5	-84.3	0.5	0	0	0	109.8	C455 W459	C455-D457 PolarHBondContact SG-N 2.77Å; D457-W459 PolarHBondContact O-N 3.14Å
458	E	88.9	Confident	85	Confident	113 Å²	113	40.4 Å²	40.4	53%	0.528	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	1.4	-168.2	-58.2	-161.5	168.5	0	0	116.3	D456 D460 N498	D456-E458 PolarHBondContact O-N 2.82Å; E458-D460 PolarHBondContact O-N 3.19Å; E458-N498 PolarHBondContact OE2-ND2 2.83Å
459	W	94.2	Very high	86.1	Confident	14 Å²	14	38.5 Å²	38.5	5%	0.053	19%	0.19	C	C	.	.			trans	-67.7	114.3	-174.4	-172.9	-102.9	0	0	0	113.4	V443 V454 D456 D457 D463 A464 V467 V497 L506 A525 G526 V527	V443-W459 HydrophobicContact CG2-CH2 4.43Å; V443-W459 HydrophobicContact CG2-CZ2 4.09Å; V454-W459 HydrophobicContact CG1-CE3 4.05Å; V454-W459 HydrophobicContact CG1-CH2 4.49Å; V454-W459 HydrophobicContact CG1-CZ3 3.77Å; D456-W459 VanDerWaalsContact CA-CB 3.49Å; D456-W459 HydrophobicContact CB-CB 4.18Å; D456-W459 VanDerWaalsContact O-CB 3.23Å; D456-W459 WeakPolarHBondContact O-CB 3.42Å; D456-W459 PolarHBondContact O-N 2.86Å; D456-W459 VanDerWaalsContact O-N 3.09Å; D457-W459 PolarHBondContact O-N 3.14Å; W459-D463 WeakPolarHBondContact CA-OD2 3.39Å; W459-D463 HydrophobicContact CD2-CB 3.93Å; W459-D463 HydrophobicContact CE3-CB 3.48Å; W459-D463 VanDerWaalsContact CE3-CB 3.48Å; W459-D463 HydrophobicContact CH2-CB 3.71Å; W459-D463 HydrophobicContact CZ2-CB 4.14Å; W459-D463 HydrophobicContact CZ3-CB 3.38Å; W459-A464 HydrophobicContact CZ2-CB 4.41Å; W459-V467 HydrophobicContact CH2-CG2 3.7Å; W459-V467 HydrophobicContact CZ2-CG2 4.18Å; W459-V497 HydrophobicContact CE3-CB 4.19Å; W459-V497 HydrophobicContact CZ3-CB 4.2Å; W459-V497 HydrophobicContact CZ3-CG1 4.13Å; W459-L506 HydrophobicContact CH2-CD1 4.11Å; W459-L506 HydrophobicContact CH2-CD2 4.09Å; W459-L506 HydrophobicContact CZ3-CD1 4.28Å; W459-L506 HydrophobicContact CZ3-CD2 4.13Å; W459-A525 HydrophobicContact CD2-CB 3.68Å; W459-A525 HydrophobicContact CE3-CB 4.19Å; W459-A525 HydrophobicContact CG-CB 3.8Å; W459-A525 HydrophobicContact CZ2-CB 4.37Å; W459-G526 PolarHBondContact NE1-O 2.85Å; W459-V527 HydrophobicContact CZ2-CG1 4.01Å
460	D	86.1	Confident	87.1	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	18%	0.176	C	C	.	.			trans	-129.1	-173.1	-177.4	78.7	32	0	0	0	113.6	E458 R462 D463 A464 A479	E458-D460 PolarHBondContact O-N 3.19Å; D460-R462 VanDerWaalsContact C-N 3.26Å; D460-R462 PolarHBondContact O-N 3.34Å; D460-R462 WeakPolarHBondContact OD1-CA 3.31Å; D460-R462 WeakPolarHBondContact OD1-CB 2.99Å; D460-R462 PolarHBondContact OD1-N 2.95Å; D460-R462 IonicContact OD1-NE 3.17Å; D460-R462 IonicContact OD2-CZ 2.82Å; D460-R462 IonicContact OD2-NE 3.18Å; D460-R462 PolarHBondContact OD2-NE 3.39Å; D460-R462 VanDerWaalsContact OD2-NE 3.14Å; D460-R462 IonicContact OD2-NH2 3.65Å; D460-R462 PolarHBondContact OD2-NH2 3.23Å; D460-D463 PolarHBondContact N-OD2 3.4Å; D460-D463 PolarHBondContact O-N 3.03Å; D460-A464 PolarHBondContact O-N 3.11Å; D460-A464 VanDerWaalsContact O-N 3.15Å; D460-A479 WeakPolarHBondContact O-CB 2.98Å
461	I	83.6	Confident	87.4	Confident	55 Å²	55	33.6 Å²	33.6	28%	0.282	16%	0.158	S	C	.	.	H	α-helix	trans	-68.2	-24.1	-175.3	-161.1	65.2	0	0	0	113.2	Q465 A476	I461-Q465 WeakPolarHBondContact O-CB 3.38Å; I461-Q465 PolarHBondContact O-N 3.01Å; I461-A476 HydrophobicContact CD1-CB 3.85Å; I461-A476 HydrophobicContact CG1-CB 4.37Å
462	R	81.9	Confident	86.9	Confident	121 Å²	121	33.2 Å²	33.2	46%	0.457	16%	0.162	S	C	.	.	H	α-helix	trans	-71.8	-40.7	176.1	-65	174.4	-77.5	-120.5	4.9	110.7	D460 Q465 V466 C499 I500	D460-R462 VanDerWaalsContact C-N 3.26Å; D460-R462 PolarHBondContact O-N 3.34Å; D460-R462 WeakPolarHBondContact OD1-CA 3.31Å; D460-R462 WeakPolarHBondContact OD1-CB 2.99Å; D460-R462 PolarHBondContact OD1-N 2.95Å; D460-R462 IonicContact OD1-NE 3.17Å; D460-R462 IonicContact OD2-CZ 2.82Å; D460-R462 IonicContact OD2-NE 3.18Å; D460-R462 PolarHBondContact OD2-NE 3.39Å; D460-R462 VanDerWaalsContact OD2-NE 3.14Å; D460-R462 IonicContact OD2-NH2 3.65Å; D460-R462 PolarHBondContact OD2-NH2 3.23Å; R462-Q465 WeakPolarHBondContact O-CB 3.45Å; R462-Q465 PolarHBondContact O-N 3.33Å; R462-V466 PolarHBondContact O-N 3.26Å; R462-C499 VanDerWaalsContact CB-O 3.31Å; R462-C499 WeakPolarHBondContact CB-O 3.42Å; R462-C499 WeakPolarHBondContact CD-O 3.09Å; R462-I500 WeakPolarHBondContact CD-O 2.96Å
463	D	91.8	Very high	86.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-45	174.8	-44.4	-52.1	0	0	0	110.9	W459 D460 Q465 V466 V467 V497 C499	W459-D463 WeakPolarHBondContact CA-OD2 3.39Å; W459-D463 HydrophobicContact CD2-CB 3.93Å; W459-D463 HydrophobicContact CE3-CB 3.48Å; W459-D463 VanDerWaalsContact CE3-CB 3.48Å; W459-D463 HydrophobicContact CH2-CB 3.71Å; W459-D463 HydrophobicContact CZ2-CB 4.14Å; W459-D463 HydrophobicContact CZ3-CB 3.38Å; D460-D463 PolarHBondContact N-OD2 3.4Å; D460-D463 PolarHBondContact O-N 3.03Å; D463-Q465 PolarHBondContact O-N 3.36Å; D463-V466 WeakPolarHBondContact O-CB 3.07Å; D463-V466 PolarHBondContact O-N 2.69Å; D463-V466 VanDerWaalsContact O-N 3.14Å; D463-V467 PolarHBondContact O-N 3.23Å; D463-V467 VanDerWaalsContact O-N 3.16Å; D463-V497 HydrophobicContact CB-CG1 4.3Å; D463-V497 VanDerWaalsContact CG-O 3.31Å; D463-C499 WeakPolarHBondContact OD1-CA 3.33Å; D463-C499 WeakPolarHBondContact OD1-CB 3.23Å; D463-C499 PolarHBondContact OD1-N 3.16Å; D463-C499 PolarHBondContact OD1-SG 2.73Å
464	A	91.3	Very high	85.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-35.9	174.2	0	0	0	0	0	111.9	W459 D460 V466 V467 C468 A476 A479 V527	W459-A464 HydrophobicContact CZ2-CB 4.41Å; D460-A464 PolarHBondContact O-N 3.11Å; D460-A464 VanDerWaalsContact O-N 3.15Å; A464-V466 VanDerWaalsContact C-N 3.34Å; A464-V466 PolarHBondContact O-N 3.34Å; A464-V467 PolarHBondContact O-N 3.49Å; A464-C468 WeakPolarHBondContact O-CB 3.33Å; A464-C468 PolarHBondContact O-N 2.73Å; A464-C468 PolarHBondContact O-SG 2.02Å; A464-C468 VanDerWaalsContact O-SG 3.33Å; A464-A476 HydrophobicContact CB-CB 3.75Å; A464-A479 HydrophobicContact CB-CB 4.07Å; A464-V527 HydrophobicContact CB-CB 4.39Å; A464-V527 HydrophobicContact CB-CG1 4.45Å
465	Q	83.8	Confident	84.5	Confident	33 Å²	33	34.7 Å²	34.7	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-39.3	177.4	-179.8	57.1	38.6	0	0	111.8	I461 R462 D463 V467 C468 R469 T475 A476	I461-Q465 WeakPolarHBondContact O-CB 3.38Å; I461-Q465 PolarHBondContact O-N 3.01Å; R462-Q465 WeakPolarHBondContact O-CB 3.45Å; R462-Q465 PolarHBondContact O-N 3.33Å; D463-Q465 PolarHBondContact O-N 3.36Å; Q465-V467 VanDerWaalsContact C-N 3.35Å; Q465-C468 PolarHBondContact O-N 3.02Å; Q465-R469 WeakPolarHBondContact O-CB 3.33Å; Q465-R469 PolarHBondContact O-N 2.87Å; Q465-T475 VanDerWaalsContact OE1-CA 3.28Å; Q465-A476 HydrophobicContact CB-CB 4.15Å
466	V	84.3	Confident	83.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-43.2	174	174.6	0	0	0	0	110.7	R462 D463 A464 A470 C499 E503 L506	R462-V466 PolarHBondContact O-N 3.26Å; D463-V466 WeakPolarHBondContact O-CB 3.07Å; D463-V466 PolarHBondContact O-N 2.69Å; D463-V466 VanDerWaalsContact O-N 3.14Å; A464-V466 VanDerWaalsContact C-N 3.34Å; A464-V466 PolarHBondContact O-N 3.34Å; V466-A470 WeakPolarHBondContact O-CB 3.33Å; V466-A470 PolarHBondContact O-N 2.84Å; V466-C499 HydrophobicContact CG2-CB 3.96Å; V466-E503 HydrophobicContact CG1-CB 4.4Å; V466-E503 WeakPolarHBondContact CG1-O 3.42Å; V466-E503 HydrophobicContact CG2-CB 3.95Å; V466-L506 HydrophobicContact CB-CD2 4.06Å; V466-L506 HydrophobicContact CG1-CD2 3.93Å; V466-L506 HydrophobicContact CG1-CG 4.34Å
467	V	89.3	Confident	83.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-49.1	176.1	177.3	0	0	0	0	112	I430 V443 W459 D463 A464 Q465 R469 A470 L471 L506 V527	I430-V467 HydrophobicContact CG2-CG1 4.15Å; V443-V467 HydrophobicContact CG1-CG1 4.49Å; V443-V467 HydrophobicContact CG1-CG2 4.19Å; V443-V467 HydrophobicContact CG2-CG1 4.28Å; V443-V467 HydrophobicContact CG2-CG2 4.4Å; W459-V467 HydrophobicContact CH2-CG2 3.7Å; W459-V467 HydrophobicContact CZ2-CG2 4.18Å; D463-V467 PolarHBondContact O-N 3.23Å; D463-V467 VanDerWaalsContact O-N 3.16Å; A464-V467 PolarHBondContact O-N 3.49Å; Q465-V467 VanDerWaalsContact C-N 3.35Å; V467-R469 VanDerWaalsContact C-N 3.26Å; V467-R469 PolarHBondContact O-N 3.03Å; V467-A470 PolarHBondContact O-N 3.47Å; V467-A470 VanDerWaalsContact O-N 3.08Å; V467-L471 HydrophobicContact CG1-CD1 3.64Å; V467-L471 HydrophobicContact CG1-CG 4.22Å; V467-L471 WeakPolarHBondContact O-CG 3.45Å; V467-L471 PolarHBondContact O-N 2.94Å; V467-L506 HydrophobicContact CG2-CD1 3.65Å; V467-L506 HydrophobicContact CG2-CD2 3.85Å; V467-L506 HydrophobicContact CG2-CG 3.87Å; V467-V527 HydrophobicContact CB-CG1 4.07Å; V467-V527 HydrophobicContact CG1-CG1 3.81Å; V467-V527 HydrophobicContact CG1-CG2 4.27Å; V467-V527 HydrophobicContact CG2-CG1 4.42Å
468	C	84.9	Confident	82.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-35.7	-178.4	-71.4	0	0	0	0	112.5	A464 Q465 D472 C473 G474 A476 C529	A464-C468 WeakPolarHBondContact O-CB 3.33Å; A464-C468 PolarHBondContact O-N 2.73Å; A464-C468 PolarHBondContact O-SG 2.02Å; A464-C468 VanDerWaalsContact O-SG 3.33Å; Q465-C468 PolarHBondContact O-N 3.02Å; C468-D472 PolarHBondContact O-N 2.95Å; C468-C473 PolarHBondContact O-N 3.08Å; C468-G474 WeakPolarHBondContact CB-O 3.25Å; C468-A476 HydrophobicContact CB-CB 4.38Å; C468-A476 VanDerWaalsContact SG-CA 3.57Å; C468-C529 WeakPolarHBondContact CA-SG 3.48Å; C468-C529 HydrophobicContact CB-CB 3.73Å; C468-C529 WeakPolarHBondContact CB-SG 3.39Å; C468-C529 VanDerWaalsContact SG-CA 3.57Å; C468-C529 WeakPolarHBondContact SG-CB 3.36Å; C468-C529 CovalentContact SG-SG 2.03Å; C468-C529 PolarHBondContact SG-SG 3.33Å
469	R	78.4	Confident	82.9	Confident	96 Å²	96	32.1 Å²	32.1	36%	0.362	17%	0.169	S	C	.	.	H	α-helix	trans	-66.4	-47.8	170.5	177.5	169.8	54.2	-130.1	-17.7	111.6	Q465 V467 L471 D472 G501 N502 E503	Q465-R469 WeakPolarHBondContact O-CB 3.33Å; Q465-R469 PolarHBondContact O-N 2.87Å; V467-R469 VanDerWaalsContact C-N 3.26Å; V467-R469 PolarHBondContact O-N 3.03Å; R469-L471 PolarHBondContact O-N 3.23Å; R469-D472 PolarHBondContact O-N 3.13Å; R469-G501 PolarHBondContact NH1-O 3.34Å; R469-G501 PolarHBondContact NH2-O 2.78Å; R469-N502 PolarHBondContact NH2-O 3.47Å; R469-E503 VanDerWaalsContact CZ-O 3.3Å; R469-E503 PolarHBondContact NE-O 2.91Å; R469-E503 PolarHBondContact NH2-O 3.11Å
470	A	75.7	Confident	82.8	Confident	51 Å²	51	33.8 Å²	33.8	42%	0.421	18%	0.177	S	C	.	.	H	α-helix	trans	-60.8	-30.1	-180	0	0	0	0	0	113	I430 V466 V467	I430-A470 HydrophobicContact CD1-CB 4.11Å; V466-A470 WeakPolarHBondContact O-CB 3.33Å; V466-A470 PolarHBondContact O-N 2.84Å; V467-A470 PolarHBondContact O-N 3.47Å; V467-A470 VanDerWaalsContact O-N 3.08Å
471	L	75.4	Confident	83.2	Confident	34 Å²	34	35.2 Å²	35.2	18%	0.178	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3	176.7	-65	171.5	0	0	0	114.4	I430 V432 V467 R469 C473	I430-L471 HydrophobicContact CG2-CD2 4.46Å; V432-L471 HydrophobicContact CB-CD1 4.42Å; V432-L471 HydrophobicContact CG1-CD1 3.62Å; V432-L471 HydrophobicContact CG2-CD1 3.99Å; V467-L471 HydrophobicContact CG1-CD1 3.64Å; V467-L471 HydrophobicContact CG1-CG 4.22Å; V467-L471 WeakPolarHBondContact O-CG 3.45Å; V467-L471 PolarHBondContact O-N 2.94Å; R469-L471 PolarHBondContact O-N 3.23Å; L471-C473 VanDerWaalsContact C-N 3.33Å; L471-C473 HydrophobicContact CB-CB 4.11Å; L471-C473 PolarHBondContact O-N 2.95Å
472	D	71.6	Confident	83.6	Confident	73 Å²	73	36.8 Å²	36.8	39%	0.39	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	53.3	-168.4	-171.3	40.1	0	0	0	112.3	R438 C468 R469 R534 W554	R438-D472 PolarHBondContact NH1-O 3.11Å; C468-D472 PolarHBondContact O-N 2.95Å; R469-D472 PolarHBondContact O-N 3.13Å; D472-R534 IonicContact OD1-NH1 2.75Å; D472-R534 PolarHBondContact OD1-NH1 2.59Å; D472-R534 VanDerWaalsContact OD1-NH1 3.16Å; D472-W554 PolarHBondContact OD1-NE1 3.09Å; D472-W554 VanDerWaalsContact OD1-NE1 3.11Å; D472-W554 PolarHBondContact OD2-NE1 3.18Å
473	C	75.9	Confident	84.1	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.007	19%	0.185	C	C	.	.			trans	-117.6	13	-174.9	-80.7	0	0	0	0	113.3	C439 C468 L471 C529 S530 A531	C439-C473 WeakPolarHBondContact CA-SG 3.36Å; C439-C473 HydrophobicContact CB-CB 3.54Å; C439-C473 WeakPolarHBondContact CB-SG 3.35Å; C439-C473 VanDerWaalsContact SG-CA 3.58Å; C439-C473 WeakPolarHBondContact SG-CB 3.41Å; C439-C473 CovalentContact SG-SG 2.03Å; C439-C473 PolarHBondContact SG-SG 3.42Å; C468-C473 PolarHBondContact O-N 3.08Å; L471-C473 VanDerWaalsContact C-N 3.33Å; L471-C473 HydrophobicContact CB-CB 4.11Å; L471-C473 PolarHBondContact O-N 2.95Å; C473-C529 HydrophobicContact CB-CB 3.65Å; C473-C529 WeakPolarHBondContact O-CB 3.41Å; C473-S530 PolarHBondContact O-OG 3.29Å; C473-A531 WeakPolarHBondContact O-CA 3.03Å; C473-A531 PolarHBondContact O-N 3.42Å
474	G	75.8	Confident	84.2	Confident	12 Å²	12	37.5 Å²	37.5	12%	0.124	21%	0.212	C	C	.	.			trans	79.2	-141.6	-177.8	0	0	0	0	0	112.3	C468 S530	C468-G474 WeakPolarHBondContact CB-O 3.25Å; G474-S530 WeakPolarHBondContact CA-OG 3.05Å
475	T	78.3	Confident	84.3	Confident	20 Å²	20	38.7 Å²	38.7	12%	0.123	22%	0.217	C	C	.	.	S	Bend	trans	-91.3	153.6	-177.2	52.7	0	0	0	0	112	Q465 Q477 C529 S530 M574	Q465-T475 VanDerWaalsContact OE1-CA 3.28Å; T475-Q477 PolarHBondContact O-N 3.39Å; T475-C529 CarbonylContact O-C 3.52Å; T475-C529 VanDerWaalsContact O-CA 3.25Å; T475-C529 WeakPolarHBondContact O-CA 3.28Å; T475-S530 PolarHBondContact N-OG 3.03Å; T475-S530 VanDerWaalsContact N-OG 3.16Å; T475-S530 PolarHBondContact O-N 3.25Å; T475-M574 HydrophobicContact CG2-CE 3.42Å; T475-M574 VanDerWaalsContact CG2-CE 3.42Å; T475-M574 WeakPolarHBondContact OG1-CE 3.47Å; T475-M574 PolarHBondContact OG1-SD 2.91Å
476	A	83.5	Confident	84.6	Confident	12 Å²	12	38.7 Å²	38.7	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.1	171.1	0	0	0	0	0	110.5	I461 A464 Q465 C468	I461-A476 HydrophobicContact CD1-CB 3.85Å; I461-A476 HydrophobicContact CG1-CB 4.37Å; A464-A476 HydrophobicContact CB-CB 3.75Å; Q465-A476 HydrophobicContact CB-CB 4.15Å; C468-A476 HydrophobicContact CB-CB 4.38Å; C468-A476 VanDerWaalsContact SG-CA 3.57Å
477	Q	83.3	Confident	85.1	Confident	46 Å²	46	44.5 Å²	44.5	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-43	173.9	-69	-177.2	-21.8	0	0	110.9	T475 I528 D573	T475-Q477 PolarHBondContact O-N 3.39Å; Q477-I528 WeakPolarHBondContact CB-O 3.37Å; Q477-I528 PolarHBondContact N-O 3.16Å; Q477-D573 PolarHBondContact NE2-O 2.63Å
478	T	82.4	Confident	85.2	Confident	40 Å²	40	44.6 Å²	44.6	25%	0.245	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.7	177	65.3	0	0	0	0	111.7	K480 I528	T478-K480 VanDerWaalsContact OG1-CE 3.31Å; T478-K480 WeakPolarHBondContact OG1-CE 3.45Å; T478-I528 PolarHBondContact N-O 3.27Å; T478-I528 PolarHBondContact O-N 2.8Å; T478-I528 WeakPolarHBondContact OG1-CB 3.41Å
479	A	90.3	Very high	85.3	Confident	29 Å²	29	51.9 Å²	51.9	24%	0.24	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132	158.2	0	0	0	0	0	109	D460 A464	D460-A479 WeakPolarHBondContact O-CB 2.98Å; A464-A479 HydrophobicContact CB-CB 4.07Å
480	K	91.9	Very high	85.7	Confident	50 Å²	50	49.9 Å²	49.9	22%	0.217	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.2	178.8	-65.8	-59.9	-173.6	-168.5	0	109.7	T478 F484 F485 G526 I528	T478-K480 VanDerWaalsContact OG1-CE 3.31Å; T478-K480 WeakPolarHBondContact OG1-CE 3.45Å; K480-F484 HydrophobicContact CB-CB 3.82Å; K480-F484 HydrophobicContact CB-CD1 4.32Å; K480-F484 HydrophobicContact CB-CG 4.16Å; K480-F484 HydrophobicContact CD-CB 4.5Å; K480-F484 HydrophobicContact CD-CD1 4.08Å; K480-F484 HydrophobicContact CD-CD2 4.21Å; K480-F484 HydrophobicContact CD-CE1 4.37Å; K480-F484 HydrophobicContact CD-CE2 4.49Å; K480-F484 HydrophobicContact CD-CG 4Å; K480-F484 HydrophobicContact CG-CB 4.31Å; K480-F484 HydrophobicContact CG-CD1 3.92Å; K480-F484 HydrophobicContact CG-CE1 4.47Å; K480-F484 HydrophobicContact CG-CG 4.1Å; K480-F485 HydrophobicContact CB-CE2 4.18Å; K480-F485 HydrophobicContact CG-CE2 3.89Å; K480-F485 HydrophobicContact CG-CZ 4.41Å; K480-G526 PolarHBondContact N-O 3.49Å; K480-G526 PolarHBondContact O-N 2.93Å; K480-I528 HydrophobicContact CG-CG1 4.46Å
481	T	93.6	Very high	86.2	Confident	67 Å²	67	51 Å²	51	41%	0.411	30%	0.295	S	S	.	.			trans	-116.7	175.7	179.4	61.6	0	0	0	0	109.7	D456 A483 F484	D456-T481 HydrophobicContact CB-CG2 3.97Å; D456-T481 VanDerWaalsContact OD2-CA 3.3Å; D456-T481 WeakPolarHBondContact OD2-CA 3.39Å; D456-T481 WeakPolarHBondContact OD2-CB 3.42Å; T481-A483 PolarHBondContact O-N 3.11Å; T481-F484 PolarHBondContact O-N 2.96Å
482	S	91.8	Very high	87	Confident	87 Å²	87	50 Å²	50	61%	0.608	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	44.2	174.6	-51.6	0	0	0	0	113.3	D456 F484 G522	D456-S482 PolarHBondContact OD2-N 3.16Å; S482-F484 VanDerWaalsContact C-N 3.25Å; S482-F484 PolarHBondContact O-N 3Å; S482-G522 CarbonylContact C-O 2.88Å; S482-G522 VanDerWaalsContact CA-O 3.27Å; S482-G522 WeakPolarHBondContact CA-O 3.31Å
483	A	92.3	Very high	87.9	Confident	12 Å²	12	47.9 Å²	47.9	10%	0.099	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.4	179.4	0	0	0	0	0	113.2	T481 F485 G486 Q487 H521 G522 D524	T481-A483 PolarHBondContact O-N 3.11Å; A483-F485 PolarHBondContact O-N 3.48Å; A483-F485 VanDerWaalsContact O-N 3.1Å; A483-G486 VanDerWaalsContact O-CA 3.3Å; A483-G486 WeakPolarHBondContact O-CA 3.31Å; A483-G486 PolarHBondContact O-N 2.75Å; A483-Q487 HydrophobicContact CB-CG 3.89Å; A483-H521 WeakPolarHBondContact CB-O 2.97Å; A483-G522 PolarHBondContact N-O 3.2Å; A483-D524 WeakPolarHBondContact CA-O 3Å; A483-D524 HydrophobicContact CB-CB 4.4Å; A483-D524 PolarHBondContact N-O 3.29Å
484	F	93.8	Very high	88.6	Confident	125 Å²	125	47.9 Å²	47.9	55%	0.548	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-36.9	-177.3	-179.5	-94	0	0	0	114	K480 T481 S482 G486	K480-F484 HydrophobicContact CB-CB 3.82Å; K480-F484 HydrophobicContact CB-CD1 4.32Å; K480-F484 HydrophobicContact CB-CG 4.16Å; K480-F484 HydrophobicContact CD-CB 4.5Å; K480-F484 HydrophobicContact CD-CD1 4.08Å; K480-F484 HydrophobicContact CD-CD2 4.21Å; K480-F484 HydrophobicContact CD-CE1 4.37Å; K480-F484 HydrophobicContact CD-CE2 4.49Å; K480-F484 HydrophobicContact CD-CG 4Å; K480-F484 HydrophobicContact CG-CB 4.31Å; K480-F484 HydrophobicContact CG-CD1 3.92Å; K480-F484 HydrophobicContact CG-CE1 4.47Å; K480-F484 HydrophobicContact CG-CG 4.1Å; T481-F484 PolarHBondContact O-N 2.96Å; S482-F484 VanDerWaalsContact C-N 3.25Å; S482-F484 PolarHBondContact O-N 3Å; F484-G486 VanDerWaalsContact C-N 3.27Å; F484-G486 PolarHBondContact O-N 2.69Å
485	F	93.6	Very high	89.4	Confident	25 Å²	25	47.6 Å²	47.6	11%	0.11	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	19.3	178	-63.9	-73.5	0	0	0	113.4	N434 G441 R442 K480 A483 V527 I528	N434-F485 HydrophobicContact CB-CB 4.32Å; N434-F485 WeakPolarHBondContact CB-O 3.4Å; N434-F485 PolarHBondContact ND2-O 2.83Å; N434-F485 WeakPolarHBondContact O-CD1 3.36Å; G441-F485 WeakPolarHBondContact O-CD2 2.88Å; R442-F485 HydrophobicContact CB-CB 4.09Å; R442-F485 PolarHBondContact NH1-O 2.97Å; K480-F485 HydrophobicContact CB-CE2 4.18Å; K480-F485 HydrophobicContact CG-CE2 3.89Å; K480-F485 HydrophobicContact CG-CZ 4.41Å; A483-F485 PolarHBondContact O-N 3.48Å; A483-F485 VanDerWaalsContact O-N 3.1Å; F485-V527 WeakPolarHBondContact CE2-O 3.48Å; F485-I528 HydrophobicContact CE2-CG1 4.38Å; F485-I528 HydrophobicContact CZ-CD1 4.14Å; F485-I528 HydrophobicContact CZ-CG1 3.75Å
486	G	91.6	Very high	90	Very high	32 Å²	32	49.4 Å²	49.4	33%	0.33	28%	0.281	S	S	.	.			trans	83.6	155.7	-172	0	0	0	0	0	112.4	R442 A483 F484	R442-G486 WeakPolarHBondContact CD-O 3.3Å; R442-G486 PolarHBondContact NH1-O 3.38Å; A483-G486 VanDerWaalsContact O-CA 3.3Å; A483-G486 WeakPolarHBondContact O-CA 3.31Å; A483-G486 PolarHBondContact O-N 2.75Å; F484-G486 VanDerWaalsContact C-N 3.27Å; F484-G486 PolarHBondContact O-N 2.69Å
487	Q	94.6	Very high	90.4	Very high	123 Å²	123	48.8 Å²	48.8	58%	0.575	28%	0.276	S	S	*	.			trans	-66.9	138.8	178.5	-56.5	-170.3	6.1	0	0	110.8	A483 H521	A483-Q487 HydrophobicContact CB-CG 3.89Å; Q487-H521 HydrophobicContact CB-CB 4Å; Q487-H521 WeakPolarHBondContact CB-O 3.37Å; Q487-H521 VanDerWaalsContact CG-O 3.24Å; Q487-H521 WeakPolarHBondContact CG-O 3.25Å
488	G	91.3	Very high	90.5	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	28%	0.281	C	S	.	.			trans	-77.9	-167.5	168.4	0	0	0	0	0	111.9	D524	G488-D524 VanDerWaalsContact CA-OD2 3.3Å; G488-D524 WeakPolarHBondContact CA-OD2 3.44Å; G488-D524 PolarHBondContact N-OD2 2.83Å
489	Q	85.7	Confident	90.5	Very high	153 Å²	153	47.6 Å²	47.6	72%	0.715	27%	0.27	S	S	*	.			trans	-149.6	148.1	-176.6	-61.2	-65.5	-43.5	0	0	108.8	H521	Q489-H521 WeakPolarHBondContact CA-NE2 3.29Å
490	G	86.8	Confident	89.7	Confident	55 Å²	55	51.5 Å²	51.5	57%	0.567	29%	0.286	S	S	*	.	S	Bend	trans	98.3	-145.6	176.7	0	0	0	0	0	111.9	H521	G490-H521 PolarHBondContact N-NE2 3.19Å; G490-H521 PolarHBondContact O-CE1 2.8Å; G490-H521 PolarHBondContact O-NE2 3.21Å
491	D	87.4	Confident	88.4	Confident	73 Å²	73	49.8 Å²	49.8	39%	0.39	28%	0.282	S	S	.	.			trans	-80.3	147.5	-179.4	-62.1	-46.3	0	0	0	111.1	G452 T453 W493	G452-D491 CarbonylContact C-O 3.59Å; G452-D491 WeakPolarHBondContact CA-O 3.46Å; T453-D491 PolarHBondContact N-O 2.77Å; D491-W493 HydrophobicContact CB-CD2 4.11Å; D491-W493 HydrophobicContact CB-CE3 4.23Å; D491-W493 HydrophobicContact CB-CH2 3.79Å; D491-W493 HydrophobicContact CB-CZ2 3.69Å; D491-W493 HydrophobicContact CB-CZ3 4.08Å; D491-W493 WeakPolarHBondContact OD2-CH2 3.46Å; D491-W493 WeakPolarHBondContact OD2-CZ2 3.12Å
492	I	90.9	Very high	86.9	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.072	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.5	166.3	-57.7	171.6	0	0	0	105.8	T453 C455 N517 C519	T453-I492 WeakPolarHBondContact OG1-CG1 3.5Å; C455-I492 HydrophobicContact CB-CG2 4.26Å; I492-N517 HydrophobicContact CG2-CB 4.31Å; I492-N517 PolarHBondContact O-ND2 3.44Å; I492-C519 HydrophobicContact CD1-CB 4.1Å; I492-C519 WeakPolarHBondContact CD1-O 3.02Å
493	W	90.6	Very high	86	Confident	29 Å²	29	46 Å²	46	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-35.7	-169.2	-80.4	138.9	0	0	0	113.6	V445 H447 Q450 G452 T453 D491 F514 G515	V445-W493 VanDerWaalsContact O-CD1 3.29Å; H447-W493 HydrophobicContact CB-CD2 3.85Å; H447-W493 HydrophobicContact CB-CE3 4.45Å; H447-W493 HydrophobicContact CB-CG 3.91Å; H447-W493 HydrophobicContact CB-CZ2 4.49Å; H447-W493 AromaticContact CD2-CE3 3.9Å; Q450-W493 HydrophobicContact CB-CZ2 4.34Å; Q450-W493 PolarHBondContact O-NE1 2.8Å; Q450-W493 VanDerWaalsContact O-NE1 3.11Å; G452-W493 VanDerWaalsContact N-CD1 3.26Å; T453-W493 PolarHBondContact O-N 2.93Å; D491-W493 HydrophobicContact CB-CD2 4.11Å; D491-W493 HydrophobicContact CB-CE3 4.23Å; D491-W493 HydrophobicContact CB-CH2 3.79Å; D491-W493 HydrophobicContact CB-CZ2 3.69Å; D491-W493 HydrophobicContact CB-CZ3 4.08Å; D491-W493 WeakPolarHBondContact OD2-CH2 3.46Å; D491-W493 WeakPolarHBondContact OD2-CZ2 3.12Å; W493-F514 HydrophobicContact CB-CD1 3.96Å; W493-F514 HydrophobicContact CB-CE1 4.3Å; W493-F514 HydrophobicContact CE3-CB 4.41Å; W493-F514 HydrophobicContact CE3-CD1 4.44Å; W493-F514 HydrophobicContact CG-CD1 4.41Å; W493-F514 WeakPolarHBondContact O-CA 3.36Å; W493-F514 WeakPolarHBondContact O-CD1 3.25Å; W493-G515 PolarHBondContact O-N 2.87Å
494	L	91.3	Very high	84.7	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.1	-174.7	-56.8	-176.6	0	0	0	109.3	V445 V454 C455 V497 L506 L507 F514	V445-L494 HydrophobicContact CG2-CD1 3.94Å; V454-L494 HydrophobicContact CB-CB 4.45Å; V454-L494 HydrophobicContact CG1-CB 4.04Å; V454-L494 HydrophobicContact CG2-CB 4.19Å; V454-L494 HydrophobicContact CG2-CD1 4.08Å; V454-L494 HydrophobicContact CG2-CG 4.39Å; C455-L494 PolarHBondContact N-O 3.06Å; L494-V497 HydrophobicContact CB-CG2 3.83Å; L494-V497 HydrophobicContact CD1-CG2 4.49Å; L494-L506 HydrophobicContact CD1-CB 4.01Å; L494-L506 HydrophobicContact CD1-CD1 4.18Å; L494-L507 HydrophobicContact CD1-CD2 4.42Å; L494-L507 HydrophobicContact CD2-CD2 4.14Å; L494-F514 HydrophobicContact CD2-CD1 3.75Å; L494-F514 HydrophobicContact CD2-CE1 3.5Å; L494-F514 HydrophobicContact CD2-CZ 4.21Å; L494-F514 HydrophobicContact CG-CE1 4.39Å
495	D	92.6	Very high	83.8	Confident	6 Å²	6	43 Å²	43	3%	0.032	25%	0.245	C	C	.	.			trans	-137	163.8	176.8	-160.9	3.8	0	0	0	109.1	C455 V497 P512 N517 N518 C519	C455-D495 HydrophobicContact CB-CB 4.4Å; C455-D495 WeakPolarHBondContact CB-OD1 3.06Å; D495-V497 PolarHBondContact O-N 2.95Å; D495-P512 WeakPolarHBondContact O-CD 3.38Å; D495-N517 HydrophobicContact CB-CB 3.65Å; D495-N517 WeakPolarHBondContact OD2-CA 3.33Å; D495-N517 VanDerWaalsContact OD2-CB 3.29Å; D495-N517 WeakPolarHBondContact OD2-CB 2.96Å; D495-N518 PolarHBondContact OD2-N 2.76Å; D495-N518 PolarHBondContact OD2-OD1 3.02Å; D495-C519 PolarHBondContact OD1-SG 3.44Å
496	D	91.3	Very high	83.1	Confident	57 Å²	57	41.8 Å²	41.8	31%	0.305	24%	0.24	S	C	.	.	S	Bend	trans	38.8	49.8	178.8	-65	-38.7	0	0	0	112.3	N498 P512	D496-N498 PolarHBondContact O-N 3.21Å; D496-P512 HydrophobicContact CB-CG 4.09Å
497	V	90.9	Very high	82.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.			trans	-76.7	117	-176.5	-179.5	0	0	0	0	107.8	V454 W459 D463 L494 D495 L506 C509	V454-V497 HydrophobicContact CG1-CG2 3.99Å; W459-V497 HydrophobicContact CE3-CB 4.19Å; W459-V497 HydrophobicContact CZ3-CB 4.2Å; W459-V497 HydrophobicContact CZ3-CG1 4.13Å; D463-V497 HydrophobicContact CB-CG1 4.3Å; D463-V497 VanDerWaalsContact CG-O 3.31Å; L494-V497 HydrophobicContact CB-CG2 3.83Å; L494-V497 HydrophobicContact CD1-CG2 4.49Å; D495-V497 PolarHBondContact O-N 2.95Å; V497-L506 HydrophobicContact CG1-CD2 4.09Å; V497-C509 HydrophobicContact CG1-CB 4.13Å
498	N	85.9	Confident	81.1	Confident	60 Å²	60	39.3 Å²	39.3	32%	0.321	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-129.9	87.2	-174.1	-167.2	-21.2	0	0	0	109.9	E458 D496 R510	E458-N498 PolarHBondContact OE2-ND2 2.83Å; D496-N498 PolarHBondContact O-N 3.21Å; N498-R510 HydrophobicContact CB-CB 4.45Å; N498-R510 PolarHBondContact N-O 2.62Å; N498-R510 PolarHBondContact O-N 3.45Å
499	C	83.1	Confident	80.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.223	C	C	.	.			trans	-88.9	148.1	179.2	-56	0	0	0	0	111.5	R462 D463 V466 G501 E503 C509	R462-C499 VanDerWaalsContact CB-O 3.31Å; R462-C499 WeakPolarHBondContact CB-O 3.42Å; R462-C499 WeakPolarHBondContact CD-O 3.09Å; D463-C499 WeakPolarHBondContact OD1-CA 3.33Å; D463-C499 WeakPolarHBondContact OD1-CB 3.23Å; D463-C499 PolarHBondContact OD1-N 3.16Å; D463-C499 PolarHBondContact OD1-SG 2.73Å; V466-C499 HydrophobicContact CG2-CB 3.96Å; C499-G501 VanDerWaalsContact C-N 3.32Å; C499-E503 VanDerWaalsContact CA-OE1 3.23Å; C499-E503 WeakPolarHBondContact CA-OE1 3.29Å; C499-C509 HydrophobicContact CB-CB 3.85Å; C499-C509 WeakPolarHBondContact CB-SG 3.4Å; C499-C509 WeakPolarHBondContact SG-CB 3.2Å; C499-C509 CovalentContact SG-SG 2.02Å; C499-C509 PolarHBondContact SG-SG 3.19Å
500	I	72.4	Confident	80.4	Confident	111 Å²	111	42.3 Å²	42.3	57%	0.569	23%	0.226	S	C	*	.			trans	-73.3	-29.7	166.7	-55.2	175.2	0	0	0	110	R462 E503	R462-I500 WeakPolarHBondContact CD-O 2.96Å; I500-E503 PolarHBondContact N-OE1 2.82Å; I500-E503 PolarHBondContact N-OE2 2.89Å
501	G	65.2	Low	80.4	Confident	13 Å²	13	42.8 Å²	42.8	13%	0.134	21%	0.211	C	C	.	.	S	Bend	trans	109.1	-9.6	176.3	0	0	0	0	0	114.3	R469 C499 E503	R469-G501 PolarHBondContact NH1-O 3.34Å; R469-G501 PolarHBondContact NH2-O 2.78Å; C499-G501 VanDerWaalsContact C-N 3.32Å; G501-E503 WeakPolarHBondContact CA-OE2 3.11Å; G501-E503 PolarHBondContact N-OE2 2.78Å
502	N	61.4	Low	79.9	Confident	62 Å²	62	40.9 Å²	40.9	33%	0.332	20%	0.203	S	C	.	.			trans	-99.4	-2	178.4	71.4	2.3	0	0	0	113.5	R469	R469-N502 PolarHBondContact NH2-O 3.47Å
503	E	74.5	Confident	79.2	Confident	14 Å²	14	43.8 Å²	43.8	7%	0.065	22%	0.223	C	C	.	.			trans	-67.7	141.1	-175.6	-62.9	91.4	152.6	0	0	113.4	V466 R469 C499 I500 G501 S505 H508	V466-E503 HydrophobicContact CG1-CB 4.4Å; V466-E503 WeakPolarHBondContact CG1-O 3.42Å; V466-E503 HydrophobicContact CG2-CB 3.95Å; R469-E503 VanDerWaalsContact CZ-O 3.3Å; R469-E503 PolarHBondContact NE-O 2.91Å; R469-E503 PolarHBondContact NH2-O 3.11Å; C499-E503 VanDerWaalsContact CA-OE1 3.23Å; C499-E503 WeakPolarHBondContact CA-OE1 3.29Å; I500-E503 PolarHBondContact N-OE1 2.82Å; I500-E503 PolarHBondContact N-OE2 2.89Å; G501-E503 WeakPolarHBondContact CA-OE2 3.11Å; G501-E503 PolarHBondContact N-OE2 2.78Å; E503-S505 PolarHBondContact O-N 3.27Å; E503-H508 HydrophobicContact CB-CB 4.12Å; E503-H508 HydrophobicContact CG-CB 4.23Å
504	S	64.1	Low	78.6	Confident	63 Å²	63	44.9 Å²	44.9	44%	0.441	23%	0.228	S	C	.	.	S	Bend	trans	-72.9	-13.5	179.6	63.6	0	0	0	0	114.5	H508	S504-H508 PolarHBondContact OG-CE1 3.36Å; S504-H508 PolarHBondContact OG-ND1 3.04Å
505	S	74.3	Confident	78	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.063	25%	0.245	C	C	.	.	S	Bend	trans	-160.3	152.3	-179	178.9	0	0	0	0	110.3	E503 L507 H508	E503-S505 PolarHBondContact O-N 3.27Å; S505-L507 PolarHBondContact O-N 2.88Å; S505-L507 VanDerWaalsContact O-N 3.07Å; S505-L507 PolarHBondContact OG-N 3.28Å; S505-H508 PolarHBondContact O-N 3.29Å
506	L	80	Confident	77.7	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.7	-21.7	173.7	-69.2	-176.3	0	0	0	113.1	I430 V443 V445 V454 W459 V466 V467 L494 V497 H508 C509	I430-L506 HydrophobicContact CD1-CD1 4.26Å; I430-L506 HydrophobicContact CD1-CG 4.16Å; V443-L506 HydrophobicContact CG1-CD1 4.22Å; V445-L506 HydrophobicContact CG2-CD1 4.43Å; V454-L506 HydrophobicContact CG2-CD1 4.4Å; W459-L506 HydrophobicContact CH2-CD1 4.11Å; W459-L506 HydrophobicContact CH2-CD2 4.09Å; W459-L506 HydrophobicContact CZ3-CD1 4.28Å; W459-L506 HydrophobicContact CZ3-CD2 4.13Å; V466-L506 HydrophobicContact CB-CD2 4.06Å; V466-L506 HydrophobicContact CG1-CD2 3.93Å; V466-L506 HydrophobicContact CG1-CG 4.34Å; V467-L506 HydrophobicContact CG2-CD1 3.65Å; V467-L506 HydrophobicContact CG2-CD2 3.85Å; V467-L506 HydrophobicContact CG2-CG 3.87Å; L494-L506 HydrophobicContact CD1-CB 4.01Å; L494-L506 HydrophobicContact CD1-CD1 4.18Å; V497-L506 HydrophobicContact CG1-CD2 4.09Å; L506-H508 PolarHBondContact O-N 3.06Å; L506-C509 PolarHBondContact O-N 3.05Å
507	L	72.4	Confident	77.5	Confident	35 Å²	35	52.1 Å²	52.1	18%	0.183	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-72.8	-17.4	176.9	-59.8	-162.1	0	0	0	114.2	P428 L494 S505 F514	P428-L507 HydrophobicContact CG-CD1 3.72Å; P428-L507 HydrophobicContact CG-CD2 4.42Å; P428-L507 HydrophobicContact CG-CG 4.17Å; L494-L507 HydrophobicContact CD1-CD2 4.42Å; L494-L507 HydrophobicContact CD2-CD2 4.14Å; S505-L507 PolarHBondContact O-N 2.88Å; S505-L507 VanDerWaalsContact O-N 3.07Å; S505-L507 PolarHBondContact OG-N 3.28Å; L507-F514 HydrophobicContact CD1-CE2 4.38Å; L507-F514 HydrophobicContact CD1-CZ 3.99Å; L507-F514 HydrophobicContact CD2-CE1 3.94Å; L507-F514 HydrophobicContact CD2-CE2 4.05Å; L507-F514 HydrophobicContact CD2-CZ 3.28Å; L507-F514 HydrophobicContact CG-CZ 4.29Å
508	H	71.4	Confident	77.5	Confident	68 Å²	68	57.7 Å²	57.7	32%	0.315	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-91.5	-8.8	179.1	-60.8	169.6	0	0	0	112	E503 S504 S505 L506	E503-H508 HydrophobicContact CB-CB 4.12Å; E503-H508 HydrophobicContact CG-CB 4.23Å; S504-H508 PolarHBondContact OG-CE1 3.36Å; S504-H508 PolarHBondContact OG-ND1 3.04Å; S505-H508 PolarHBondContact O-N 3.29Å; L506-H508 PolarHBondContact O-N 3.06Å
509	C	78.8	Confident	77.8	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.054	29%	0.291	C	S	.	.	S	Bend	trans	-74.9	158.7	173.8	-51.9	0	0	0	0	110.7	V497 C499 L506 R511	V497-C509 HydrophobicContact CG1-CB 4.13Å; C499-C509 HydrophobicContact CB-CB 3.85Å; C499-C509 WeakPolarHBondContact CB-SG 3.4Å; C499-C509 WeakPolarHBondContact SG-CB 3.2Å; C499-C509 CovalentContact SG-SG 2.02Å; C499-C509 PolarHBondContact SG-SG 3.19Å; L506-C509 PolarHBondContact O-N 3.05Å; C509-R511 PolarHBondContact O-N 3.14Å
510	R	84	Confident	78.2	Confident	208 Å²	208	57.1 Å²	57.1	79%	0.785	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-65.9	126.1	171.2	178.4	177.8	173.9	156.1	-3.1	108.1	N498	N498-R510 HydrophobicContact CB-CB 4.45Å; N498-R510 PolarHBondContact N-O 2.62Å; N498-R510 PolarHBondContact O-N 3.45Å
511	R	87	Confident	79.3	Confident	65 Å²	65	53.6 Å²	53.6	25%	0.245	29%	0.288	C	S	.	.			trans	-164.2	163.3	179.8	58.2	147.8	-170.4	124.8	-8.3	112.3	C509 F514	C509-R511 PolarHBondContact O-N 3.14Å; R511-F514 VanDerWaalsContact NH2-CD2 3.34Å
512	P	75.7	Confident	80.6	Confident	34 Å²	34	54.6 Å²	54.6	22%	0.221	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.1	165.3	167.2	-18.6	34.6	0	0	0	113.1	D495 D496 E516	D495-P512 WeakPolarHBondContact O-CD 3.38Å; D496-P512 HydrophobicContact CB-CG 4.09Å; P512-E516 HydrophobicContact CB-CB 4.46Å
513	P	77.4	Confident	82.2	Confident	75 Å²	75	55 Å²	55	49%	0.487	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-54.3	158.5	171.2	-24.3	34.6	0	0	0	113.6	G515 E516	P513-G515 PolarHBondContact O-N 2.77Å; P513-E516 HydrophobicContact CB-CG 4.25Å; P513-E516 WeakPolarHBondContact CD-OE2 3.25Å; P513-E516 PolarHBondContact O-N 3.13Å
514	F	76.9	Confident	83.3	Confident	52 Å²	52	54.5 Å²	54.5	23%	0.228	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.2	-179.3	-83.1	-78.9	0	0	0	112.3	H447 W493 L494 L507 R511 E516	H447-F514 HydrophobicContact CB-CD1 4.08Å; H447-F514 HydrophobicContact CB-CE1 3.86Å; H447-F514 HydrophobicContact CB-CZ 4.42Å; H447-F514 AromaticContact CD2-CD1 3.69Å; H447-F514 AromaticContact CD2-CG 3.63Å; H447-F514 AromaticContact CE1-CD2 3.36Å; H447-F514 WeakPolarHBondContact CE1-CD2 3.37Å; H447-F514 AromaticContact CE1-CE2 3.48Å; H447-F514 VanDerWaalsContact CE1-CE2 3.48Å; H447-F514 WeakPolarHBondContact CE1-CE2 3.31Å; H447-F514 AromaticContact CE1-CG 3.68Å; H447-F514 AromaticContact CE1-CZ 3.9Å; H447-F514 AromaticContact CG-CD1 3.63Å; H447-F514 AromaticContact CG-CE1 3.65Å; H447-F514 AromaticContact CG-CG 3.91Å; H447-F514 AromaticContact CG-CZ 3.94Å; H447-F514 AromaticContact ND1-CD1 3.91Å; H447-F514 AromaticContact ND1-CD2 3.79Å; H447-F514 AromaticContact ND1-CE1 3.69Å; H447-F514 AromaticContact ND1-CE2 3.54Å; H447-F514 AromaticContact ND1-CG 3.94Å; H447-F514 AromaticContact ND1-CZ 3.46Å; H447-F514 WeakPolarHBondContact ND1-CZ 3.02Å; H447-F514 AromaticContact NE2-CD1 4Å; H447-F514 AromaticContact NE2-CD2 3.57Å; H447-F514 AromaticContact NE2-CG 3.47Å; H447-F514 WeakPolarHBondContact NE2-CG 3.47Å; W493-F514 HydrophobicContact CB-CD1 3.96Å; W493-F514 HydrophobicContact CB-CE1 4.3Å; W493-F514 HydrophobicContact CE3-CB 4.41Å; W493-F514 HydrophobicContact CE3-CD1 4.44Å; W493-F514 HydrophobicContact CG-CD1 4.41Å; W493-F514 WeakPolarHBondContact O-CA 3.36Å; W493-F514 WeakPolarHBondContact O-CD1 3.25Å; L494-F514 HydrophobicContact CD2-CD1 3.75Å; L494-F514 HydrophobicContact CD2-CE1 3.5Å; L494-F514 HydrophobicContact CD2-CZ 4.21Å; L494-F514 HydrophobicContact CG-CE1 4.39Å; L507-F514 HydrophobicContact CD1-CE2 4.38Å; L507-F514 HydrophobicContact CD1-CZ 3.99Å; L507-F514 HydrophobicContact CD2-CE1 3.94Å; L507-F514 HydrophobicContact CD2-CE2 4.05Å; L507-F514 HydrophobicContact CD2-CZ 3.28Å; L507-F514 HydrophobicContact CG-CZ 4.29Å; R511-F514 VanDerWaalsContact NH2-CD2 3.34Å; F514-E516 PolarHBondContact O-N 3.02Å
515	G	78.8	Confident	84.9	Confident	35 Å²	35	51.5 Å²	51.5	36%	0.361	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-3.9	177.4	0	0	0	0	0	114.6	W493 P513 N517	W493-G515 PolarHBondContact O-N 2.87Å; P513-G515 PolarHBondContact O-N 2.77Å; G515-N517 PolarHBondContact O-N 2.85Å; G515-N517 PolarHBondContact O-ND2 2.98Å
516	E	86.1	Confident	85.9	Confident	122 Å²	122	51.1 Å²	51.1	57%	0.57	27%	0.273	S	S	*	.			trans	-81.6	102.7	165.4	-69.7	-172	-174	0	0	108	P512 P513 F514	P512-E516 HydrophobicContact CB-CB 4.46Å; P513-E516 HydrophobicContact CB-CG 4.25Å; P513-E516 WeakPolarHBondContact CD-OE2 3.25Å; P513-E516 PolarHBondContact O-N 3.13Å; F514-E516 PolarHBondContact O-N 3.02Å
517	N	88.1	Confident	86.6	Confident	58 Å²	58	51.1 Å²	51.1	31%	0.31	27%	0.273	S	S	.	.			trans	-147.4	158.7	178.1	66.7	90	0	0	0	111.4	I492 D495 G515 C519	I492-N517 HydrophobicContact CG2-CB 4.31Å; I492-N517 PolarHBondContact O-ND2 3.44Å; D495-N517 HydrophobicContact CB-CB 3.65Å; D495-N517 WeakPolarHBondContact OD2-CA 3.33Å; D495-N517 VanDerWaalsContact OD2-CB 3.29Å; D495-N517 WeakPolarHBondContact OD2-CB 2.96Å; G515-N517 PolarHBondContact O-N 2.85Å; G515-N517 PolarHBondContact O-ND2 2.98Å; N517-C519 PolarHBondContact OD1-N 2.72Å; N517-C519 PolarHBondContact OD1-O 2.74Å
518	N	90.3	Very high	87.4	Confident	118 Å²	118	51.4 Å²	51.4	63%	0.631	27%	0.274	S	S	*	.			trans	-108.8	0.9	171.4	68.1	8.4	0	0	0	113	D495	D495-N518 PolarHBondContact OD2-N 2.76Å; D495-N518 PolarHBondContact OD2-OD1 3.02Å
519	C	91.6	Very high	88.1	Confident	16 Å²	16	48.4 Å²	48.4	11%	0.108	26%	0.26	C	S	.	.			trans	-84.2	161.1	-170.8	-54.1	0	0	0	0	114.4	C455 I492 D495 N517 E523	C455-C519 HydrophobicContact CB-CB 3.75Å; C455-C519 WeakPolarHBondContact CB-SG 2.99Å; C455-C519 WeakPolarHBondContact SG-CB 3.48Å; C455-C519 CovalentContact SG-SG 2.01Å; C455-C519 PolarHBondContact SG-SG 3.37Å; I492-C519 HydrophobicContact CD1-CB 4.1Å; I492-C519 WeakPolarHBondContact CD1-O 3.02Å; D495-C519 PolarHBondContact OD1-SG 3.44Å; N517-C519 PolarHBondContact OD1-N 2.72Å; N517-C519 PolarHBondContact OD1-O 2.74Å; C519-E523 WeakPolarHBondContact CA-OE2 3.25Å; C519-E523 HydrophobicContact CB-CB 4.14Å
520	G	92	Very high	88.3	Confident	33 Å²	33	48.2 Å²	48.2	34%	0.34	26%	0.259	S	S	.	.			trans	-111	168.6	162	0	0	0	0	0	112.1	G522 E523	G520-G522 PolarHBondContact O-N 3.29Å; G520-E523 PolarHBondContact N-OE2 3.15Å; G520-E523 WeakPolarHBondContact O-CB 3.39Å; G520-E523 PolarHBondContact O-N 3.14Å
521	H	95.3	Very high	88.1	Confident	36 Å²	36	38.7 Å²	38.7	17%	0.167	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-64.1	-4.7	177.1	-69.9	-52.6	0	0	0	115.1	T453 A483 Q487 Q489 G490 E523 D524	T453-H521 PolarHBondContact OG1-CE1 3.39Å; T453-H521 PolarHBondContact OG1-ND1 3.16Å; A483-H521 WeakPolarHBondContact CB-O 2.97Å; Q487-H521 HydrophobicContact CB-CB 4Å; Q487-H521 WeakPolarHBondContact CB-O 3.37Å; Q487-H521 VanDerWaalsContact CG-O 3.24Å; Q487-H521 WeakPolarHBondContact CG-O 3.25Å; Q489-H521 WeakPolarHBondContact CA-NE2 3.29Å; G490-H521 PolarHBondContact N-NE2 3.19Å; G490-H521 PolarHBondContact O-CE1 2.8Å; G490-H521 PolarHBondContact O-NE2 3.21Å; H521-E523 PolarHBondContact O-N 2.95Å; H521-D524 WeakPolarHBondContact CB-OD2 3.21Å; H521-D524 IonicContact CG-OD1 3.14Å; H521-D524 IonicContact CG-OD2 2.97Å; H521-D524 IonicContact ND1-OD1 3.47Å; H521-D524 PolarHBondContact ND1-OD1 2.87Å; H521-D524 VanDerWaalsContact ND1-OD1 3.1Å; H521-D524 IonicContact ND1-OD2 3.17Å; H521-D524 PolarHBondContact ND1-OD2 2.67Å
522	G	91.9	Very high	88	Confident	34 Å²	34	38.1 Å²	38.1	35%	0.351	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.6	-16.1	166	0	0	0	0	0	113.4	S482 A483 G520	S482-G522 CarbonylContact C-O 2.88Å; S482-G522 VanDerWaalsContact CA-O 3.27Å; S482-G522 WeakPolarHBondContact CA-O 3.31Å; A483-G522 PolarHBondContact N-O 3.2Å; G520-G522 PolarHBondContact O-N 3.29Å
523	E	96.2	Very high	88.5	Confident	72 Å²	72	36.5 Å²	36.5	34%	0.336	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-110.6	18.8	-175	-70.4	159	138.3	0	0	110.9	C455 D456 C519 G520 H521 A525	C455-E523 CarbonylContact C-O 3.49Å; C455-E523 WeakPolarHBondContact CA-O 3.46Å; D456-E523 VanDerWaalsContact CB-O 3.3Å; D456-E523 WeakPolarHBondContact CB-O 3.33Å; D456-E523 PolarHBondContact N-O 3.09Å; D456-E523 WeakPolarHBondContact OD1-CA 3.04Å; D456-E523 WeakPolarHBondContact OD1-CB 3.32Å; C519-E523 WeakPolarHBondContact CA-OE2 3.25Å; C519-E523 HydrophobicContact CB-CB 4.14Å; G520-E523 PolarHBondContact N-OE2 3.15Å; G520-E523 WeakPolarHBondContact O-CB 3.39Å; G520-E523 PolarHBondContact O-N 3.14Å; H521-E523 PolarHBondContact O-N 2.95Å; E523-A525 PolarHBondContact O-N 2.93Å
524	D	97.1	Very high	88.9	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.011	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-70	123.9	179.2	-68.7	-30.6	0	0	0	111.4	R442 T453 V454 A483 G488 H521	R442-D524 HydrophobicContact CG-CB 4.07Å; T453-D524 WeakPolarHBondContact CB-OD1 3.45Å; T453-D524 PolarHBondContact OG1-OD1 3.33Å; V454-D524 WeakPolarHBondContact O-CA 3.42Å; A483-D524 WeakPolarHBondContact CA-O 3Å; A483-D524 HydrophobicContact CB-CB 4.4Å; A483-D524 PolarHBondContact N-O 3.29Å; G488-D524 VanDerWaalsContact CA-OD2 3.3Å; G488-D524 WeakPolarHBondContact CA-OD2 3.44Å; G488-D524 PolarHBondContact N-OD2 2.83Å; H521-D524 WeakPolarHBondContact CB-OD2 3.21Å; H521-D524 IonicContact CG-OD1 3.14Å; H521-D524 IonicContact CG-OD2 2.97Å; H521-D524 IonicContact ND1-OD1 3.47Å; H521-D524 PolarHBondContact ND1-OD1 2.87Å; H521-D524 VanDerWaalsContact ND1-OD1 3.1Å; H521-D524 IonicContact ND1-OD2 3.17Å; H521-D524 PolarHBondContact ND1-OD2 2.67Å
525	A	97.1	Very high	89.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.198	C	C	.	.			trans	-68.9	149.2	179.2	0	0	0	0	0	113	R442 V443 V454 D456 W459 E523	R442-A525 WeakPolarHBondContact CA-O 3.48Å; V443-A525 PolarHBondContact N-O 2.73Å; V454-A525 HydrophobicContact CB-CB 4.33Å; V454-A525 HydrophobicContact CG1-CB 4.28Å; V454-A525 WeakPolarHBondContact O-CB 3.44Å; V454-A525 PolarHBondContact O-N 3.01Å; D456-A525 HydrophobicContact CB-CB 4.16Å; W459-A525 HydrophobicContact CD2-CB 3.68Å; W459-A525 HydrophobicContact CE3-CB 4.19Å; W459-A525 HydrophobicContact CG-CB 3.8Å; W459-A525 HydrophobicContact CZ2-CB 4.37Å; E523-A525 PolarHBondContact O-N 2.93Å
526	G	96.2	Very high	89.1	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.9	177	0	0	0	0	0	113.2	G441 W459 K480	G441-G526 CarbonylContact O-C 3.57Å; G441-G526 VanDerWaalsContact O-CA 3.28Å; G441-G526 WeakPolarHBondContact O-CA 3.48Å; W459-G526 PolarHBondContact NE1-O 2.85Å; K480-G526 PolarHBondContact N-O 3.49Å; K480-G526 PolarHBondContact O-N 2.93Å
527	V	94.5	Very high	88.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.1	178.8	-23.1	0	0	0	0	111.5	V432 S440 G441 V443 W459 A464 V467 F485 C529	V432-V527 HydrophobicContact CG1-CG2 4.22Å; S440-V527 VanDerWaalsContact CA-O 3.32Å; S440-V527 WeakPolarHBondContact CA-O 3.27Å; G441-V527 PolarHBondContact N-O 3.5Å; G441-V527 PolarHBondContact O-N 2.87Å; V443-V527 HydrophobicContact CG2-CG1 3.23Å; W459-V527 HydrophobicContact CZ2-CG1 4.01Å; A464-V527 HydrophobicContact CB-CB 4.39Å; A464-V527 HydrophobicContact CB-CG1 4.45Å; V467-V527 HydrophobicContact CB-CG1 4.07Å; V467-V527 HydrophobicContact CG1-CG1 3.81Å; V467-V527 HydrophobicContact CG1-CG2 4.27Å; V467-V527 HydrophobicContact CG2-CG1 4.42Å; F485-V527 WeakPolarHBondContact CE2-O 3.48Å; V527-C529 VanDerWaalsContact CG2-SG 3.51Å
528	I	88.8	Confident	87.4	Confident	42 Å²	42	32.9 Å²	32.9	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.9	160	-57.3	177.8	0	0	0	107.3	Q477 T478 K480 F485	Q477-I528 WeakPolarHBondContact CB-O 3.37Å; Q477-I528 PolarHBondContact N-O 3.16Å; T478-I528 PolarHBondContact N-O 3.27Å; T478-I528 PolarHBondContact O-N 2.8Å; T478-I528 WeakPolarHBondContact OG1-CB 3.41Å; K480-I528 HydrophobicContact CG-CG1 4.46Å; F485-I528 HydrophobicContact CE2-CG1 4.38Å; F485-I528 HydrophobicContact CZ-CD1 4.14Å; F485-I528 HydrophobicContact CZ-CG1 3.75Å
529	C	87.4	Confident	86.3	Confident	4 Å²	4	32.6 Å²	32.6	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	166.6	175.9	-43.7	0	0	0	0	111.5	C439 C468 C473 T475 V527 A531	C439-C529 HydrophobicContact CB-CB 4.16Å; C439-C529 WeakPolarHBondContact O-CB 3.35Å; C439-C529 PolarHBondContact O-N 2.03Å; C439-C529 PolarHBondContact O-SG 2.91Å; C468-C529 WeakPolarHBondContact CA-SG 3.48Å; C468-C529 HydrophobicContact CB-CB 3.73Å; C468-C529 WeakPolarHBondContact CB-SG 3.39Å; C468-C529 VanDerWaalsContact SG-CA 3.57Å; C468-C529 WeakPolarHBondContact SG-CB 3.36Å; C468-C529 CovalentContact SG-SG 2.03Å; C468-C529 PolarHBondContact SG-SG 3.33Å; C473-C529 HydrophobicContact CB-CB 3.65Å; C473-C529 WeakPolarHBondContact O-CB 3.41Å; T475-C529 CarbonylContact O-C 3.52Å; T475-C529 VanDerWaalsContact O-CA 3.25Å; T475-C529 WeakPolarHBondContact O-CA 3.28Å; V527-C529 VanDerWaalsContact CG2-SG 3.51Å; C529-A531 PolarHBondContact O-N 3.3Å
530	S	81.3	Confident	85.2	Confident	5 Å²	5	35.8 Å²	35.8	4%	0.035	21%	0.212	C	C	.	.			trans	-62.4	-29.4	177.8	61.3	0	0	0	0	113.9	C473 G474 T475 N532 L533	C473-S530 PolarHBondContact O-OG 3.29Å; G474-S530 WeakPolarHBondContact CA-OG 3.05Å; T475-S530 PolarHBondContact N-OG 3.03Å; T475-S530 VanDerWaalsContact N-OG 3.16Å; T475-S530 PolarHBondContact O-N 3.25Å; S530-N532 PolarHBondContact O-N 2.92Å; S530-L533 VanDerWaalsContact CB-O 3.32Å; S530-L533 WeakPolarHBondContact CB-O 3.33Å; S530-L533 PolarHBondContact OG-O 2.94Å
531	A	80.9	Confident	84.3	Confident	7 Å²	7	38.6 Å²	38.6	6%	0.058	22%	0.223	C	C	.	.	S	Bend	trans	63.9	-38.6	173.5	0	0	0	0	0	116.8	C439 C473 C529	C439-A531 HydrophobicContact CB-CB 3.47Å; C439-A531 VanDerWaalsContact CB-CB 3.47Å; C473-A531 WeakPolarHBondContact O-CA 3.03Å; C473-A531 PolarHBondContact O-N 3.42Å; C529-A531 PolarHBondContact O-N 3.3Å
532	N	84	Confident	83.7	Confident	54 Å²	54	37.5 Å²	37.5	29%	0.289	22%	0.219	S	C	.	.	S	Bend	trans	-119.9	-7.8	-171	-58.4	-63.1	0	0	0	113.4	S530 V548 Y549 T607	S530-N532 PolarHBondContact O-N 2.92Å; N532-V548 CarbonylContact O-C 3.46Å; N532-V548 VanDerWaalsContact O-CA 3.27Å; N532-V548 WeakPolarHBondContact O-CA 3.3Å; N532-V548 WeakPolarHBondContact O-CG1 2.99Å; N532-Y549 PolarHBondContact O-N 3.45Å; N532-T607 HydrophobicContact CB-CG2 3.96Å; N532-T607 WeakPolarHBondContact ND2-CG2 3.37Å
533	L	87.5	Confident	83.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.4	-173.1	-179.7	62.8	0	0	0	110.3	S530 V546 E547 V548 V570 D573 M574 V606	S530-L533 VanDerWaalsContact CB-O 3.32Å; S530-L533 WeakPolarHBondContact CB-O 3.33Å; S530-L533 PolarHBondContact OG-O 2.94Å; L533-V546 HydrophobicContact CD1-CG1 3.68Å; L533-E547 WeakPolarHBondContact CA-O 3.46Å; L533-V548 HydrophobicContact CD1-CG2 4.12Å; L533-V570 HydrophobicContact CD1-CG1 4.36Å; L533-V570 HydrophobicContact CD1-CG2 4.41Å; L533-V570 HydrophobicContact CD2-CB 4.42Å; L533-V570 HydrophobicContact CD2-CG1 4.07Å; L533-D573 HydrophobicContact CD2-CB 3.83Å; L533-M574 HydrophobicContact CB-SD 4.35Å; L533-M574 HydrophobicContact CD2-CG 3.62Å; L533-M574 HydrophobicContact CD2-SD 3.75Å; L533-M574 HydrophobicContact CG-CG 4.2Å; L533-M574 HydrophobicContact CG-SD 3.78Å; L533-V606 HydrophobicContact CB-CG2 4.01Å; L533-V606 HydrophobicContact CD1-CG1 4.11Å; L533-V606 HydrophobicContact CD1-CG2 4.49Å; L533-V606 HydrophobicContact CD2-CG1 3.75Å; L533-V606 HydrophobicContact CD2-CG2 4.45Å; L533-V606 HydrophobicContact CG-CG1 4.41Å
534	R	84.3	Confident	82.9	Confident	57 Å²	57	32.7 Å²	32.7	22%	0.215	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.6	168.8	69.7	-173.5	-171.2	179	3.5	111.3	D472 I536 E547 W554	D472-R534 IonicContact OD1-NH1 2.75Å; D472-R534 PolarHBondContact OD1-NH1 2.59Å; D472-R534 VanDerWaalsContact OD1-NH1 3.16Å; R534-I536 HydrophobicContact CG-CD1 4.04Å; R534-I536 HydrophobicContact CG-CG1 4.05Å; R534-E547 HydrophobicContact CG-CB 3.83Å; R534-E547 IonicContact CZ-OE2 3.11Å; R534-E547 PolarHBondContact N-O 2.93Å; R534-E547 IonicContact NE-OE2 3.02Å; R534-E547 PolarHBondContact NE-OE2 3.46Å; R534-E547 IonicContact NH2-OE2 2.97Å; R534-E547 PolarHBondContact NH2-OE2 2.74Å; R534-E547 PolarHBondContact O-N 3.49Å; R534-W554 HydrophobicContact CB-CH2 4.11Å; R534-W554 HydrophobicContact CB-CZ3 3.97Å; R534-W554 HydrophobicContact CG-CD2 4.2Å; R534-W554 HydrophobicContact CG-CE3 3.68Å; R534-W554 HydrophobicContact CG-CH2 4.1Å; R534-W554 HydrophobicContact CG-CZ3 3.62Å; R534-W554 VanDerWaalsContact CZ-CD1 3.49Å; R534-W554 VanDerWaalsContact NH1-CD1 3.3Å
535	L	82.9	Confident	82.5	Confident	21 Å²	21	33.6 Å²	33.6	11%	0.11	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.3	173.1	-59.2	-179.4	0	0	0	109.2	S543 R545 V546 V570 M574 V627	L535-S543 WeakPolarHBondContact CB-O 3.49Å; L535-R545 VanDerWaalsContact CA-O 3.31Å; L535-R545 WeakPolarHBondContact CA-O 3.32Å; L535-V546 HydrophobicContact CD2-CB 4.43Å; L535-V546 HydrophobicContact CD2-CG2 3.86Å; L535-V570 HydrophobicContact CD2-CG1 3.93Å; L535-M574 HydrophobicContact CB-CE 4.48Å; L535-M574 HydrophobicContact CD1-CE 4.17Å; L535-M574 HydrophobicContact CD1-CG 4.36Å; L535-M574 HydrophobicContact CG-CE 3.95Å; L535-M574 HydrophobicContact CG-CG 4.47Å; L535-V627 HydrophobicContact CD1-CG2 3.78Å; L535-V627 HydrophobicContact CD2-CG2 3.52Å; L535-V627 HydrophobicContact CG-CG2 4.32Å
536	I	77.9	Confident	82.1	Confident	49 Å²	49	33.6 Å²	33.6	25%	0.251	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.1	-174.9	-55.2	-66.1	0	0	0	110.2	R534 G538 R545 E547	R534-I536 HydrophobicContact CG-CD1 4.04Å; R534-I536 HydrophobicContact CG-CG1 4.05Å; I536-G538 PolarHBondContact O-N 2.03Å; I536-R545 VanDerWaalsContact CG2-NH2 3.28Å; I536-R545 PolarHBondContact N-O 3.25Å; I536-R545 WeakPolarHBondContact O-CB 3.44Å; I536-R545 PolarHBondContact O-N 2.88Å; I536-E547 HydrophobicContact CG1-CG 4.5Å
537	N	71.8	Confident	81.7	Confident	107 Å²	107	34.3 Å²	34.3	57%	0.572	19%	0.194	S	C	*	.	S	Bend	trans	57.8	29.3	179.5	-59.2	-11.8	0	0	0	114.3	R545 F586	N537-R545 PolarHBondContact ND2-NH1 2.83Å; N537-R545 VanDerWaalsContact ND2-NH1 3.13Å; N537-F586 WeakPolarHBondContact O-CD1 3.35Å; N537-F586 VanDerWaalsContact O-CE1 3.3Å; N537-F586 WeakPolarHBondContact O-CE1 3.44Å
538	G	66.2	Low	81.5	Confident	32 Å²	32	34.7 Å²	34.7	33%	0.33	20%	0.196	S	C	.	.			trans	-80.3	172.3	169.6	0	0	0	0	0	113	I536 D540 S543	I536-G538 PolarHBondContact O-N 2.03Å; G538-D540 VanDerWaalsContact C-N 3.31Å; G538-S543 VanDerWaalsContact CA-O 3.28Å; G538-S543 WeakPolarHBondContact CA-O 3.31Å
539	T	68.3	Low	81.1	Confident	111 Å²	111	35.6 Å²	35.6	68%	0.681	20%	0.198	S	C	*	.	S	Bend	trans	-79	-19.7	171.9	49.5	0	0	0	0	112.4	S543	T539-S543 PolarHBondContact N-OG 2.94Å; T539-S543 VanDerWaalsContact N-OG 3.09Å; T539-S543 PolarHBondContact OG1-OG 3.03Å; T539-S543 VanDerWaalsContact OG1-OG 3.11Å
540	D	68.4	Low	80.6	Confident	83 Å²	83	38.7 Å²	38.7	44%	0.444	21%	0.214	S	C	.	.	S	Bend	trans	-153.6	-178.9	-179.4	54.7	47.8	0	0	0	110.3	G538 C542 S543	G538-D540 VanDerWaalsContact C-N 3.31Å; D540-C542 PolarHBondContact O-N 3.03Å; D540-C542 VanDerWaalsContact OD1-CA 3.31Å; D540-C542 WeakPolarHBondContact OD1-CA 3.37Å; D540-C542 PolarHBondContact OD1-N 2.85Å; D540-S543 VanDerWaalsContact CG-OG 3.25Å; D540-S543 PolarHBondContact N-OG 2.94Å; D540-S543 VanDerWaalsContact N-OG 3.13Å; D540-S543 PolarHBondContact O-N 2.96Å; D540-S543 PolarHBondContact O-OG 2.9Å; D540-S543 WeakPolarHBondContact OD1-CB 3Å; D540-S543 PolarHBondContact OD1-N 3.43Å; D540-S543 PolarHBondContact OD1-OG 3.45Å
541	T	73.3	Confident	80	Confident	92 Å²	92	42.3 Å²	42.3	56%	0.564	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.7	179.3	54	0	0	0	0	114.3
542	C	81.9	Confident	79.6	Confident	14 Å²	14	44.6 Å²	44.6	10%	0.095	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	14.7	-174.3	-71.3	0	0	0	0	112.9	D540 C576 C629	D540-C542 PolarHBondContact O-N 3.03Å; D540-C542 VanDerWaalsContact OD1-CA 3.31Å; D540-C542 WeakPolarHBondContact OD1-CA 3.37Å; D540-C542 PolarHBondContact OD1-N 2.85Å; C542-C576 WeakPolarHBondContact CA-SG 3.46Å; C542-C576 HydrophobicContact CB-CB 3.51Å; C542-C576 WeakPolarHBondContact CB-SG 3.23Å; C542-C576 WeakPolarHBondContact SG-CB 3.34Å; C542-C576 CovalentContact SG-SG 2.04Å; C542-C576 PolarHBondContact SG-SG 3.43Å; C542-C629 HydrophobicContact CB-CB 4.21Å; C542-C629 VanDerWaalsContact O-CB 3.29Å; C542-C629 WeakPolarHBondContact O-CB 3.3Å; C542-C629 PolarHBondContact O-N 3.33Å; C542-C629 PolarHBondContact O-SG 2.86Å
543	S	85.1	Confident	79.2	Confident	5 Å²	5	47.2 Å²	47.2	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160	177.1	56.6	0	0	0	0	110.8	L535 G538 T539 D540 V627	L535-S543 WeakPolarHBondContact CB-O 3.49Å; G538-S543 VanDerWaalsContact CA-O 3.28Å; G538-S543 WeakPolarHBondContact CA-O 3.31Å; T539-S543 PolarHBondContact N-OG 2.94Å; T539-S543 VanDerWaalsContact N-OG 3.09Å; T539-S543 PolarHBondContact OG1-OG 3.03Å; T539-S543 VanDerWaalsContact OG1-OG 3.11Å; D540-S543 VanDerWaalsContact CG-OG 3.25Å; D540-S543 PolarHBondContact N-OG 2.94Å; D540-S543 VanDerWaalsContact N-OG 3.13Å; D540-S543 PolarHBondContact O-N 2.96Å; D540-S543 PolarHBondContact O-OG 2.9Å; D540-S543 WeakPolarHBondContact OD1-CB 3Å; D540-S543 PolarHBondContact OD1-N 3.43Å; D540-S543 PolarHBondContact OD1-OG 3.45Å; S543-V627 CarbonylContact C-O 3.55Å; S543-V627 VanDerWaalsContact CA-O 3.25Å; S543-V627 WeakPolarHBondContact CA-O 3.21Å
544	G	86.4	Confident	78.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129	-173	172.7	0	0	0	0	0	114.2	S626 V627	G544-S626 CarbonylContact O-C 3.51Å; G544-S626 WeakPolarHBondContact O-CA 3.06Å; G544-S626 WeakPolarHBondContact O-CB 3.26Å; G544-V627 PolarHBondContact N-O 3.29Å; G544-V627 PolarHBondContact O-N 2.87Å
545	R	87.5	Confident	79	Confident	21 Å²	21	46.1 Å²	46.1	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.8	178.2	-178.1	178.5	64.5	-102.8	-2.5	110.7	L535 I536 N537 E547 E624	L535-R545 VanDerWaalsContact CA-O 3.31Å; L535-R545 WeakPolarHBondContact CA-O 3.32Å; I536-R545 VanDerWaalsContact CG2-NH2 3.28Å; I536-R545 PolarHBondContact N-O 3.25Å; I536-R545 WeakPolarHBondContact O-CB 3.44Å; I536-R545 PolarHBondContact O-N 2.88Å; N537-R545 PolarHBondContact ND2-NH1 2.83Å; N537-R545 VanDerWaalsContact ND2-NH1 3.13Å; R545-E547 IonicContact CZ-OE1 2.7Å; R545-E547 IonicContact NE-OE1 2.85Å; R545-E547 PolarHBondContact NE-OE1 3.28Å; R545-E547 IonicContact NH2-OE1 2.75Å; R545-E547 PolarHBondContact NH2-OE1 2.79Å; R545-E624 WeakPolarHBondContact CD-OE2 3.45Å; R545-E624 HydrophobicContact CG-CB 4.04Å; R545-E624 IonicContact NE-OE2 2.79Å
546	V	89.6	Confident	79.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.2	-177.2	-174.2	0	0	0	0	110.8	L533 L535 V557 F562 V570 A625 V627	L533-V546 HydrophobicContact CD1-CG1 3.68Å; L535-V546 HydrophobicContact CD2-CB 4.43Å; L535-V546 HydrophobicContact CD2-CG2 3.86Å; V546-V557 HydrophobicContact CB-CB 4.28Å; V546-V557 HydrophobicContact CB-CG2 4.41Å; V546-V557 HydrophobicContact CG1-CB 4.28Å; V546-V557 HydrophobicContact CG1-CG2 3.92Å; V546-V557 PolarHBondContact O-N 3.07Å; V546-F562 HydrophobicContact CG2-CE2 4.28Å; V546-F562 HydrophobicContact CG2-CZ 3.89Å; V546-V570 HydrophobicContact CG1-CG2 4.1Å; V546-V570 HydrophobicContact CG2-CG1 4.22Å; V546-A625 PolarHBondContact N-O 3.44Å; V546-V627 HydrophobicContact CG2-CB 4.47Å; V546-V627 HydrophobicContact CG2-CG1 3.79Å; V546-V627 HydrophobicContact CG2-CG2 4.05Å
547	E	88.7	Confident	79.7	Confident	16 Å²	16	43 Å²	43	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135	171.3	-71	179	-163.4	0	0	110.4	L533 R534 I536 R545 W554 S555	L533-E547 WeakPolarHBondContact CA-O 3.46Å; R534-E547 HydrophobicContact CG-CB 3.83Å; R534-E547 IonicContact CZ-OE2 3.11Å; R534-E547 PolarHBondContact N-O 2.93Å; R534-E547 IonicContact NE-OE2 3.02Å; R534-E547 PolarHBondContact NE-OE2 3.46Å; R534-E547 IonicContact NH2-OE2 2.97Å; R534-E547 PolarHBondContact NH2-OE2 2.74Å; R534-E547 PolarHBondContact O-N 3.49Å; I536-E547 HydrophobicContact CG1-CG 4.5Å; R545-E547 IonicContact CZ-OE1 2.7Å; R545-E547 IonicContact NE-OE1 2.85Å; R545-E547 PolarHBondContact NE-OE1 3.28Å; R545-E547 IonicContact NH2-OE1 2.75Å; R545-E547 PolarHBondContact NH2-OE1 2.79Å; E547-W554 HydrophobicContact CB-CE3 4.27Å; E547-S555 WeakPolarHBondContact CA-O 3.41Å
548	V	88.5	Confident	80.5	Confident	8 Å²	8	38 Å²	38	5%	0.048	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.7	179.4	173	0	0	0	0	109.2	N532 L533 N550 S555 V557 L595	N532-V548 CarbonylContact O-C 3.46Å; N532-V548 VanDerWaalsContact O-CA 3.27Å; N532-V548 WeakPolarHBondContact O-CA 3.3Å; N532-V548 WeakPolarHBondContact O-CG1 2.99Å; L533-V548 HydrophobicContact CD1-CG2 4.12Å; V548-N550 PolarHBondContact O-N 2.96Å; V548-S555 PolarHBondContact N-O 3.47Å; V548-S555 PolarHBondContact O-N 3.27Å; V548-V557 HydrophobicContact CB-CG2 4.3Å; V548-V557 HydrophobicContact CG2-CG2 3.66Å; V548-L595 HydrophobicContact CB-CD1 3.81Å; V548-L595 HydrophobicContact CG1-CD1 4.2Å
549	Y	80.9	Confident	81.3	Confident	62 Å²	62	38.9 Å²	38.9	24%	0.243	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.5	176.1	-167.8	-104.6	0	0	0	109.6	N532 G552 W554	N532-Y549 PolarHBondContact O-N 3.45Å; Y549-G552 WeakPolarHBondContact OH-CA 3.42Å; Y549-W554 AromaticContact CD2-CD1 3.91Å; Y549-W554 AromaticContact CD2-CD2 3.79Å; Y549-W554 HydrophobicContact CD2-CD2 3.79Å; Y549-W554 AromaticContact CD2-CE2 3.67Å; Y549-W554 HydrophobicContact CD2-CE3 4.41Å; Y549-W554 AromaticContact CD2-CG 3.96Å; Y549-W554 HydrophobicContact CD2-CG 3.96Å; Y549-W554 HydrophobicContact CD2-CZ2 4.2Å; Y549-W554 AromaticContact CD2-NE1 3.75Å; Y549-W554 HydrophobicContact CG-CD2 4.42Å; Y549-W554 HydrophobicContact CG-CZ2 4.48Å
550	N	78.2	Confident	81.8	Confident	69 Å²	69	35.2 Å²	35.2	37%	0.369	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	132.7	180	-172.3	13.9	0	0	0	110.9	V548 G552 R553 L595	V548-N550 PolarHBondContact O-N 2.96Å; N550-G552 VanDerWaalsContact C-N 3.3Å; N550-G552 PolarHBondContact O-N 2.01Å; N550-R553 PolarHBondContact N-O 2.86Å; N550-R553 PolarHBondContact O-N 2.91Å; N550-R553 VanDerWaalsContact O-O 3.09Å; N550-L595 HydrophobicContact CB-CD1 4.24Å
551	G	68.3	Low	82.3	Confident	80 Å²	80	35.9 Å²	35.9	83%	0.825	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	26.6	176.9	0	0	0	0	0	115.1
552	G	71.1	Confident	82.9	Confident	55 Å²	55	32.6 Å²	32.6	57%	0.567	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	10.4	178.2	0	0	0	0	0	115.1	Y549 N550	Y549-G552 WeakPolarHBondContact OH-CA 3.42Å; N550-G552 VanDerWaalsContact C-N 3.3Å; N550-G552 PolarHBondContact O-N 2.01Å
553	R	77.2	Confident	83.1	Confident	109 Å²	109	33.2 Å²	33.2	41%	0.411	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.5	176.9	62.1	176.2	179.3	170.5	1.1	111.2	N550 E613	N550-R553 PolarHBondContact N-O 2.86Å; N550-R553 PolarHBondContact O-N 2.91Å; N550-R553 VanDerWaalsContact O-O 3.09Å; R553-E613 IonicContact NH2-OE1 3.19Å; R553-E613 PolarHBondContact NH2-OE1 2.81Å
554	W	80.9	Confident	83.1	Confident	30 Å²	30	35.5 Å²	35.5	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.7	164.6	-65.7	100.7	0	0	0	109.8	D472 R534 E547 Y549	D472-W554 PolarHBondContact OD1-NE1 3.09Å; D472-W554 VanDerWaalsContact OD1-NE1 3.11Å; D472-W554 PolarHBondContact OD2-NE1 3.18Å; R534-W554 HydrophobicContact CB-CH2 4.11Å; R534-W554 HydrophobicContact CB-CZ3 3.97Å; R534-W554 HydrophobicContact CG-CD2 4.2Å; R534-W554 HydrophobicContact CG-CE3 3.68Å; R534-W554 HydrophobicContact CG-CH2 4.1Å; R534-W554 HydrophobicContact CG-CZ3 3.62Å; R534-W554 VanDerWaalsContact CZ-CD1 3.49Å; R534-W554 VanDerWaalsContact NH1-CD1 3.3Å; E547-W554 HydrophobicContact CB-CE3 4.27Å; Y549-W554 AromaticContact CD2-CD1 3.91Å; Y549-W554 AromaticContact CD2-CD2 3.79Å; Y549-W554 HydrophobicContact CD2-CD2 3.79Å; Y549-W554 AromaticContact CD2-CE2 3.67Å; Y549-W554 HydrophobicContact CD2-CE3 4.41Å; Y549-W554 AromaticContact CD2-CG 3.96Å; Y549-W554 HydrophobicContact CD2-CG 3.96Å; Y549-W554 HydrophobicContact CD2-CZ2 4.2Å; Y549-W554 AromaticContact CD2-NE1 3.75Å; Y549-W554 HydrophobicContact CG-CD2 4.42Å; Y549-W554 HydrophobicContact CG-CZ2 4.48Å
555	S	85.2	Confident	83.2	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	137	176.5	-63.8	0	0	0	0	110.6	E547 V548	E547-S555 WeakPolarHBondContact CA-O 3.41Å; V548-S555 PolarHBondContact N-O 3.47Å; V548-S555 PolarHBondContact O-N 3.27Å
556	S	87.8	Confident	83.4	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.8	178.2	-62	0	0	0	0	111.7	G594 L595 E624	S556-G594 CarbonylContact O-C 3Å; S556-G594 WeakPolarHBondContact O-CA 3.08Å; S556-L595 PolarHBondContact O-N 3.1Å; S556-E624 WeakPolarHBondContact CB-OE1 3.42Å; S556-E624 PolarHBondContact OG-OE1 3.03Å
557	V	89.3	Confident	83.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-86.2	135.1	168.2	-177.1	0	0	0	0	108.8	V546 V548 F562 L595 M597 A625	V546-V557 HydrophobicContact CB-CB 4.28Å; V546-V557 HydrophobicContact CB-CG2 4.41Å; V546-V557 HydrophobicContact CG1-CB 4.28Å; V546-V557 HydrophobicContact CG1-CG2 3.92Å; V546-V557 PolarHBondContact O-N 3.07Å; V548-V557 HydrophobicContact CB-CG2 4.3Å; V548-V557 HydrophobicContact CG2-CG2 3.66Å; V557-F562 HydrophobicContact CG1-CD2 3.76Å; V557-F562 HydrophobicContact CG1-CE2 4.05Å; V557-L595 CarbonylContact C-O 3.57Å; V557-L595 WeakPolarHBondContact CA-O 3.5Å; V557-L595 HydrophobicContact CG2-CB 4.37Å; V557-M597 HydrophobicContact CG1-CB 3.79Å; V557-A625 HydrophobicContact CB-CB 4.38Å; V557-A625 HydrophobicContact CG1-CB 4.23Å; V557-A625 WeakPolarHBondContact O-CB 3.33Å; V557-A625 PolarHBondContact O-N 3.44Å
558	Y	87.2	Confident	83.5	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-94.2	154.8	176.7	-73.4	-65.3	0	0	0	112.3	I560 E591 L595 Y614 T622 E623 E624	Y558-I560 PolarHBondContact O-N 3.43Å; Y558-E591 PolarHBondContact OH-O 2.99Å; Y558-L595 PolarHBondContact N-O 2.74Å; Y558-Y614 AromaticContact CD2-CD1 3.73Å; Y558-Y614 HydrophobicContact CD2-CD1 3.73Å; Y558-Y614 HydrophobicContact CE2-CD1 4.17Å; Y558-Y614 HydrophobicContact CG-CD1 4.39Å; Y558-T622 HydrophobicContact CD1-CG2 3.68Å; Y558-T622 HydrophobicContact CG-CG2 3.81Å; Y558-E623 WeakPolarHBondContact CA-O 3.29Å; Y558-E624 HydrophobicContact CD1-CG 4.22Å; Y558-E624 HydrophobicContact CE1-CG 3.91Å
559	N	83.4	Confident	83.6	Confident	52 Å²	52	39.2 Å²	39.2	28%	0.278	23%	0.234	S	C	.	.	S	Bend	trans	-69.4	15.6	-177.8	72.6	-13.3	0	0	0	115.2	N561 F562 T622 E623	N559-N561 PolarHBondContact O-N 3.12Å; N559-F562 PolarHBondContact O-N 3.48Å; N559-T622 WeakPolarHBondContact OD1-CG2 3.28Å; N559-E623 WeakPolarHBondContact CB-O 3.47Å; N559-E623 VanDerWaalsContact CG-O 3.32Å; N559-E623 PolarHBondContact N-O 3.17Å; N559-E623 PolarHBondContact OD1-N 3.16Å; N559-E623 VanDerWaalsContact OD1-N 3.16Å; N559-E623 PolarHBondContact OD1-O 3.15Å
560	I	79.9	Confident	84.1	Confident	33 Å²	33	36.2 Å²	36.2	17%	0.169	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	107.7	-178.4	-51.5	176.4	0	0	0	109	Y558 F562 K596 Y614 T622	Y558-I560 PolarHBondContact O-N 3.43Å; I560-F562 PolarHBondContact O-N 3.47Å; I560-K596 HydrophobicContact CB-CD 4.08Å; I560-K596 HydrophobicContact CB-CG 4.26Å; I560-K596 HydrophobicContact CG2-CD 3.74Å; I560-K596 HydrophobicContact CG2-CG 4.45Å; I560-K596 WeakPolarHBondContact O-CE 3.49Å; I560-K596 WeakPolarHBondContact O-CG 3.49Å; I560-Y614 HydrophobicContact CD1-CD1 3.65Å; I560-Y614 HydrophobicContact CD1-CD2 3.88Å; I560-Y614 HydrophobicContact CD1-CE1 3.26Å; I560-Y614 HydrophobicContact CD1-CE2 3.51Å; I560-Y614 HydrophobicContact CD1-CG 3.94Å; I560-T622 HydrophobicContact CD1-CG2 3.76Å; I560-T622 HydrophobicContact CG1-CG2 3.59Å
561	N	77.1	Confident	84.6	Confident	98 Å²	98	33 Å²	33	52%	0.524	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	22.8	-170.4	-54.4	2.1	0	0	0	113.2	N559 K596	N559-N561 PolarHBondContact O-N 3.12Å; N561-K596 VanDerWaalsContact CG-CE 3.48Å; N561-K596 VanDerWaalsContact CG-NZ 3.3Å; N561-K596 VanDerWaalsContact ND2-CE 3.26Å; N561-K596 WeakPolarHBondContact ND2-CE 3.33Å; N561-K596 PolarHBondContact ND2-NZ 3.28Å; N561-K596 PolarHBondContact OD1-NZ 3.18Å
562	F	86.4	Confident	85.5	Confident	22 Å²	22	33.9 Å²	33.9	10%	0.096	18%	0.184	C	C	.	.			trans	-93.4	104	175.3	-164.7	-77.9	0	0	0	109.1	V546 V557 N559 I560 E566 A567 V570 A582 M597 A625 V627	V546-F562 HydrophobicContact CG2-CE2 4.28Å; V546-F562 HydrophobicContact CG2-CZ 3.89Å; V557-F562 HydrophobicContact CG1-CD2 3.76Å; V557-F562 HydrophobicContact CG1-CE2 4.05Å; N559-F562 PolarHBondContact O-N 3.48Å; I560-F562 PolarHBondContact O-N 3.47Å; F562-E566 HydrophobicContact CD1-CB 4.33Å; F562-E566 HydrophobicContact CD2-CB 3.8Å; F562-E566 HydrophobicContact CD2-CG 4.24Å; F562-E566 HydrophobicContact CE1-CB 4.32Å; F562-E566 HydrophobicContact CE2-CB 3.83Å; F562-E566 HydrophobicContact CG-CB 4.06Å; F562-E566 HydrophobicContact CZ-CB 4.06Å; F562-A567 HydrophobicContact CE1-CB 4.2Å; F562-V570 HydrophobicContact CZ-CG2 4.33Å; F562-A582 HydrophobicContact CD1-CB 4.36Å; F562-A582 HydrophobicContact CE1-CB 4.29Å; F562-M597 HydrophobicContact CD2-CE 4.04Å; F562-M597 HydrophobicContact CE2-CE 3.42Å; F562-M597 VanDerWaalsContact CE2-CE 3.42Å; F562-M597 HydrophobicContact CZ-CE 4.28Å; F562-A625 HydrophobicContact CB-CB 4.09Å; F562-A625 HydrophobicContact CD1-CB 3.79Å; F562-A625 HydrophobicContact CD2-CB 3.53Å; F562-A625 HydrophobicContact CE1-CB 4.08Å; F562-A625 HydrophobicContact CE2-CB 3.81Å; F562-A625 HydrophobicContact CG-CB 3.52Å; F562-A625 HydrophobicContact CZ-CB 4.1Å; F562-V627 HydrophobicContact CE1-CG1 3.69Å; F562-V627 HydrophobicContact CZ-CG1 3.59Å
563	G	86.3	Confident	86.2	Confident	27 Å²	27	32 Å²	32	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	-122.5	-159.9	178.4	0	0	0	0	0	112.5	N565 E566 A567	G563-N565 PolarHBondContact O-N 3.13Å; G563-E566 PolarHBondContact N-OE2 2.62Å; G563-E566 PolarHBondContact O-N 2.82Å; G563-A567 WeakPolarHBondContact O-CB 3.37Å; G563-A567 PolarHBondContact O-N 3.09Å
564	M	86	Confident	86.4	Confident	53 Å²	53	27.2 Å²	27.2	26%	0.261	14%	0.143	S	C	.	.	H	α-helix	trans	-64.5	-25.7	179.7	-66.8	-59.1	-69.2	0	0	113	A568 A579 A582	M564-A568 VanDerWaalsContact O-CB 3.23Å; M564-A568 WeakPolarHBondContact O-CB 3.46Å; M564-A568 PolarHBondContact O-N 3.26Å; M564-A579 HydrophobicContact CE-CB 3.84Å; M564-A579 WeakPolarHBondContact CE-O 3.36Å; M564-A582 HydrophobicContact SD-CB 3.87Å
565	N	88.1	Confident	86.3	Confident	88 Å²	88	28 Å²	28	47%	0.471	15%	0.15	S	C	.	.	H	α-helix	trans	-68.7	-47.6	176.9	-70.3	-13.8	0	0	0	111.5	G563 A568 V569	G563-N565 PolarHBondContact O-N 3.13Å; N565-A568 PolarHBondContact O-N 2.81Å; N565-V569 PolarHBondContact O-N 3.22Å
566	E	91.6	Very high	86.3	Confident	12 Å²	12	28 Å²	28	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-45.8	174.1	-70.9	68.9	-150	0	0	110.7	F562 G563 A568 V569 V570 M597 S598 C599	F562-E566 HydrophobicContact CD1-CB 4.33Å; F562-E566 HydrophobicContact CD2-CB 3.8Å; F562-E566 HydrophobicContact CD2-CG 4.24Å; F562-E566 HydrophobicContact CE1-CB 4.32Å; F562-E566 HydrophobicContact CE2-CB 3.83Å; F562-E566 HydrophobicContact CG-CB 4.06Å; F562-E566 HydrophobicContact CZ-CB 4.06Å; G563-E566 PolarHBondContact N-OE2 2.62Å; G563-E566 PolarHBondContact O-N 2.82Å; E566-A568 VanDerWaalsContact C-N 3.31Å; E566-A568 PolarHBondContact O-N 3.41Å; E566-V569 PolarHBondContact O-N 3.2Å; E566-V570 WeakPolarHBondContact O-CG2 3.32Å; E566-V570 PolarHBondContact O-N 2.66Å; E566-M597 HydrophobicContact CB-CE 3.76Å; E566-M597 HydrophobicContact CG-CE 4.12Å; E566-S598 WeakPolarHBondContact OE1-CA 3.44Å; E566-C599 HydrophobicContact CG-CB 4.2Å; E566-C599 PolarHBondContact OE1-N 2.96Å
567	A	90.8	Very high	86.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-39.2	176.9	0	0	0	0	0	112.3	F562 G563 V569 V570 C571 A579 A582 V627	F562-A567 HydrophobicContact CE1-CB 4.2Å; G563-A567 WeakPolarHBondContact O-CB 3.37Å; G563-A567 PolarHBondContact O-N 3.09Å; A567-V569 VanDerWaalsContact C-N 3.33Å; A567-V569 PolarHBondContact O-N 2.77Å; A567-V570 PolarHBondContact O-N 3.1Å; A567-C571 WeakPolarHBondContact O-CB 3.45Å; A567-C571 PolarHBondContact O-N 3.27Å; A567-C571 PolarHBondContact O-SG 2.88Å; A567-A579 HydrophobicContact CB-CB 3.77Å; A567-A582 HydrophobicContact CB-CB 3.83Å; A567-V627 HydrophobicContact CB-CG1 3.71Å
568	A	88.4	Confident	85.9	Confident	23 Å²	23	30.1 Å²	30.1	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-38.9	177.2	0	0	0	0	0	112.3	M564 N565 E566 R572 A579	M564-A568 VanDerWaalsContact O-CB 3.23Å; M564-A568 WeakPolarHBondContact O-CB 3.46Å; M564-A568 PolarHBondContact O-N 3.26Å; N565-A568 PolarHBondContact O-N 2.81Å; E566-A568 VanDerWaalsContact C-N 3.31Å; E566-A568 PolarHBondContact O-N 3.41Å; A568-R572 WeakPolarHBondContact O-CB 3.11Å; A568-R572 PolarHBondContact O-N 3.42Å; A568-A579 HydrophobicContact CB-CB 4.4Å
569	V	90.9	Very high	85.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-42.6	174.7	-179.7	0	0	0	0	110.8	N565 E566 A567 R572 D573 C599 E603 V606	N565-V569 PolarHBondContact O-N 3.22Å; E566-V569 PolarHBondContact O-N 3.2Å; A567-V569 VanDerWaalsContact C-N 3.33Å; A567-V569 PolarHBondContact O-N 2.77Å; V569-R572 PolarHBondContact O-N 2.03Å; V569-D573 VanDerWaalsContact O-CB 3.3Å; V569-D573 WeakPolarHBondContact O-CB 2.97Å; V569-D573 PolarHBondContact O-N 3.13Å; V569-C599 HydrophobicContact CB-CB 4.46Å; V569-C599 HydrophobicContact CG2-CB 3.8Å; V569-E603 HydrophobicContact CG1-CB 3.97Å; V569-E603 HydrophobicContact CG2-CB 3.89Å; V569-E603 WeakPolarHBondContact CG2-OE2 3.32Å; V569-V606 HydrophobicContact CG1-CG1 4.27Å
570	V	91.1	Very high	86	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-51.5	176.4	171.4	0	0	0	0	111	L533 L535 V546 F562 E566 A567 R572 D573 M574 M597 V606 V627	L533-V570 HydrophobicContact CD1-CG1 4.36Å; L533-V570 HydrophobicContact CD1-CG2 4.41Å; L533-V570 HydrophobicContact CD2-CB 4.42Å; L533-V570 HydrophobicContact CD2-CG1 4.07Å; L535-V570 HydrophobicContact CD2-CG1 3.93Å; V546-V570 HydrophobicContact CG1-CG2 4.1Å; V546-V570 HydrophobicContact CG2-CG1 4.22Å; F562-V570 HydrophobicContact CZ-CG2 4.33Å; E566-V570 WeakPolarHBondContact O-CG2 3.32Å; E566-V570 PolarHBondContact O-N 2.66Å; A567-V570 PolarHBondContact O-N 3.1Å; V570-R572 VanDerWaalsContact C-N 3.28Å; V570-R572 PolarHBondContact O-N 2.65Å; V570-D573 PolarHBondContact O-N 3.45Å; V570-M574 HydrophobicContact CG1-CG 4.45Å; V570-M574 WeakPolarHBondContact O-CB 3.44Å; V570-M574 WeakPolarHBondContact O-CG 3.29Å; V570-M574 PolarHBondContact O-N 3.31Å; V570-M597 HydrophobicContact CG2-CE 3.7Å; V570-V606 HydrophobicContact CG2-CG1 4.07Å; V570-V627 HydrophobicContact CB-CG1 4.3Å; V570-V627 HydrophobicContact CG1-CB 4.46Å; V570-V627 HydrophobicContact CG1-CG1 4.09Å; V570-V627 HydrophobicContact CG1-CG2 3.7Å
571	C	89.7	Confident	86.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-38.2	179.2	-65.6	0	0	0	0	112.2	A567 N575 C576 C629	A567-C571 WeakPolarHBondContact O-CB 3.45Å; A567-C571 PolarHBondContact O-N 3.27Å; A567-C571 PolarHBondContact O-SG 2.88Å; C571-N575 PolarHBondContact O-N 2.93Å; C571-N575 VanDerWaalsContact O-N 3.14Å; C571-C576 PolarHBondContact O-N 2.79Å; C571-C629 WeakPolarHBondContact CA-SG 3.45Å; C571-C629 HydrophobicContact CB-CB 3.67Å; C571-C629 WeakPolarHBondContact CB-SG 3.33Å; C571-C629 VanDerWaalsContact SG-CA 3.6Å; C571-C629 WeakPolarHBondContact SG-CB 3.23Å; C571-C629 CovalentContact SG-SG 2.02Å; C571-C629 PolarHBondContact SG-SG 3.23Å
572	R	86.4	Confident	86.6	Confident	100 Å²	100	29.2 Å²	29.2	38%	0.377	16%	0.159	S	C	.	.	H	α-helix	trans	-68.6	-45.1	176.9	-171.5	-179.7	-56	126.6	5.8	112.8	A568 V569 V570 M574 N575 G601 E603	A568-R572 WeakPolarHBondContact O-CB 3.11Å; A568-R572 PolarHBondContact O-N 3.42Å; V569-R572 PolarHBondContact O-N 2.03Å; V570-R572 VanDerWaalsContact C-N 3.28Å; V570-R572 PolarHBondContact O-N 2.65Å; R572-M574 PolarHBondContact O-N 2.82Å; R572-N575 PolarHBondContact O-N 3.08Å; R572-G601 PolarHBondContact NH1-O 2.85Å; R572-G601 PolarHBondContact NH2-O 2.04Å; R572-G601 VanDerWaalsContact NH2-O 3.07Å; R572-E603 PolarHBondContact NH1-O 3.1Å
573	D	86.8	Confident	85.9	Confident	15 Å²	15	29.3 Å²	29.3	8%	0.08	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-30.4	178.6	-156.6	14.2	0	0	0	111.2	Q477 L533 V569 V570 N575 S605 V606	Q477-D573 PolarHBondContact NE2-O 2.63Å; L533-D573 HydrophobicContact CD2-CB 3.83Å; V569-D573 VanDerWaalsContact O-CB 3.3Å; V569-D573 WeakPolarHBondContact O-CB 2.97Å; V569-D573 PolarHBondContact O-N 3.13Å; V570-D573 PolarHBondContact O-N 3.45Å; D573-N575 VanDerWaalsContact C-N 3.29Å; D573-S605 VanDerWaalsContact CG-CA 3.42Å; D573-S605 WeakPolarHBondContact OD1-CB 3.48Å; D573-S605 PolarHBondContact OD1-OG 3.25Å; D573-S605 VanDerWaalsContact OD2-CA 3.24Å; D573-S605 WeakPolarHBondContact OD2-CA 3.5Å; D573-S605 WeakPolarHBondContact OD2-CB 3.41Å; D573-S605 PolarHBondContact OD2-OG 2.81Å; D573-V606 WeakPolarHBondContact OD2-CG2 3.49Å; D573-V606 PolarHBondContact OD2-N 2.97Å
574	M	81.2	Confident	84.8	Confident	8 Å²	8	29 Å²	29	4%	0.039	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.5	173.4	-63.6	-66.1	-69	0	0	113.7	T475 L533 L535 V570 R572 C576	T475-M574 HydrophobicContact CG2-CE 3.42Å; T475-M574 VanDerWaalsContact CG2-CE 3.42Å; T475-M574 WeakPolarHBondContact OG1-CE 3.47Å; T475-M574 PolarHBondContact OG1-SD 2.91Å; L533-M574 HydrophobicContact CB-SD 4.35Å; L533-M574 HydrophobicContact CD2-CG 3.62Å; L533-M574 HydrophobicContact CD2-SD 3.75Å; L533-M574 HydrophobicContact CG-CG 4.2Å; L533-M574 HydrophobicContact CG-SD 3.78Å; L535-M574 HydrophobicContact CB-CE 4.48Å; L535-M574 HydrophobicContact CD1-CE 4.17Å; L535-M574 HydrophobicContact CD1-CG 4.36Å; L535-M574 HydrophobicContact CG-CE 3.95Å; L535-M574 HydrophobicContact CG-CG 4.47Å; V570-M574 HydrophobicContact CG1-CG 4.45Å; V570-M574 WeakPolarHBondContact O-CB 3.44Å; V570-M574 WeakPolarHBondContact O-CG 3.29Å; V570-M574 PolarHBondContact O-N 3.31Å; R572-M574 PolarHBondContact O-N 2.82Å; M574-C576 HydrophobicContact CB-CB 4.2Å; M574-C576 PolarHBondContact O-N 2.81Å; M574-C576 PolarHBondContact O-SG 3.28Å
575	N	79.3	Confident	83.3	Confident	48 Å²	48	30.1 Å²	30.1	26%	0.257	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	32.4	-174.9	-161.9	40.7	0	0	0	114.3	C571 R572 D573 F649 W654	C571-N575 PolarHBondContact O-N 2.93Å; C571-N575 VanDerWaalsContact O-N 3.14Å; R572-N575 PolarHBondContact O-N 3.08Å; D573-N575 VanDerWaalsContact C-N 3.29Å; N575-F649 WeakPolarHBondContact ND2-CE2 3.46Å; N575-F649 WeakPolarHBondContact ND2-CZ 3.46Å; N575-W654 PolarHBondContact OD1-NE1 3.07Å
576	C	83.8	Confident	81.5	Confident	4 Å²	4	30 Å²	30	3%	0.027	17%	0.168	C	C	.	.			trans	-103.1	26.8	-172	-79.4	0	0	0	0	113.7	C542 C571 M574 C629 S630 G631	C542-C576 WeakPolarHBondContact CA-SG 3.46Å; C542-C576 HydrophobicContact CB-CB 3.51Å; C542-C576 WeakPolarHBondContact CB-SG 3.23Å; C542-C576 WeakPolarHBondContact SG-CB 3.34Å; C542-C576 CovalentContact SG-SG 2.04Å; C542-C576 PolarHBondContact SG-SG 3.43Å; C571-C576 PolarHBondContact O-N 2.79Å; M574-C576 HydrophobicContact CB-CB 4.2Å; M574-C576 PolarHBondContact O-N 2.81Å; M574-C576 PolarHBondContact O-SG 3.28Å; C576-C629 HydrophobicContact CB-CB 3.61Å; C576-C629 WeakPolarHBondContact O-CB 3.37Å; C576-S630 PolarHBondContact O-N 3.2Å; C576-G631 CarbonylContact C-O 3.56Å; C576-G631 WeakPolarHBondContact CA-O 3.08Å; C576-G631 WeakPolarHBondContact O-CA 3.49Å; C576-G631 PolarHBondContact O-N 3.41Å
577	G	85	Confident	79.4	Confident	8 Å²	8	32.1 Å²	32.1	8%	0.082	19%	0.193	C	C	.	.			trans	71.3	-141.6	-179.1	0	0	0	0	0	113	G631	G577-G631 PolarHBondContact N-O 3.31Å
578	D	85.4	Confident	77.4	Confident	41 Å²	41	36.9 Å²	36.9	22%	0.219	22%	0.219	C	C	.	.	S	Bend	trans	-93.2	152.9	-175.9	-69.8	-37	0	0	0	112	V580 C629 S630 K634 L635 L674	D578-V580 PolarHBondContact O-N 2.59Å; D578-C629 CarbonylContact O-C 3.49Å; D578-C629 WeakPolarHBondContact O-CA 3.25Å; D578-S630 PolarHBondContact N-OG 3.21Å; D578-S630 PolarHBondContact O-N 3.18Å; D578-S630 PolarHBondContact O-OG 3.5Å; D578-K634 VanDerWaalsContact OD2-CA 3.3Å; D578-K634 WeakPolarHBondContact OD2-CA 3.5Å; D578-K634 VanDerWaalsContact OD2-CB 3.29Å; D578-K634 WeakPolarHBondContact OD2-CB 2.96Å; D578-L635 PolarHBondContact OD2-N 2.92Å; D578-L674 HydrophobicContact CB-CD2 4.1Å
579	A	86.8	Confident	75.7	Confident	11 Å²	11	38.5 Å²	38.5	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	121.4	174.7	0	0	0	0	0	110.8	M564 A567 A568	M564-A579 HydrophobicContact CE-CB 3.84Å; M564-A579 WeakPolarHBondContact CE-O 3.36Å; A567-A579 HydrophobicContact CB-CB 3.77Å; A568-A579 HydrophobicContact CB-CB 4.4Å
580	V	85.1	Confident	74	Confident	14 Å²	14	41.2 Å²	41.2	9%	0.085	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-42.4	177.5	179.4	0	0	0	0	110.1	D578 Q628 N675	D578-V580 PolarHBondContact O-N 2.59Å; V580-Q628 WeakPolarHBondContact CA-O 3.27Å; V580-Q628 WeakPolarHBondContact CB-O 3.35Å; V580-Q628 PolarHBondContact N-O 3.45Å; V580-N675 HydrophobicContact CG1-CB 3.48Å; V580-N675 VanDerWaalsContact CG1-CB 3.48Å
581	K	84.3	Confident	72.5	Confident	109 Å²	109	46.1 Å²	46.1	47%	0.474	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.4	-178.7	-165.3	-178.2	-179.2	-171.7	0	111.3	V627 Q628	K581-V627 WeakPolarHBondContact O-CA 3.38Å; K581-Q628 HydrophobicContact CB-CB 3.97Å; K581-Q628 PolarHBondContact N-O 2.85Å; K581-Q628 PolarHBondContact O-N 3.37Å
582	A	85.1	Confident	71.4	Confident	30 Å²	30	51.2 Å²	51.2	25%	0.248	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.6	162	0	0	0	0	0	107.5	F562 M564 A567	F562-A582 HydrophobicContact CD1-CB 4.36Å; F562-A582 HydrophobicContact CE1-CB 4.29Å; M564-A582 HydrophobicContact SD-CB 3.87Å; A567-A582 HydrophobicContact CB-CB 3.83Å
583	S	71.7	Confident	70.9	Confident	24 Å²	24	53.9 Å²	53.9	17%	0.168	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.8	-178.7	44.7	0	0	0	0	113.6	S626	S583-S626 PolarHBondContact N-O 3.39Å; S583-S626 PolarHBondContact O-N 3.21Å; S583-S626 PolarHBondContact O-OG 2.8Å; S583-S626 PolarHBondContact OG-OG 2.76Å
584	G	64.1	Low	70.8	Confident	22 Å²	22	53.3 Å²	53.3	23%	0.227	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142.9	154.8	0	0	0	0	0	109.6	E623	G584-E623 VanDerWaalsContact CA-OE2 3.31Å; G584-E623 WeakPolarHBondContact CA-OE2 3.26Å
585	S	55	Low	71	Confident	75 Å²	75	53 Å²	53	52%	0.524	31%	0.313	S	S	.	.			trans	93.1	85.9	176.8	78.4	0	0	0	0	117.2	E623	S585-E623 PolarHBondContact N-OE2 2.73Å
586	F	48.4	Very low	71.5	Confident	85 Å²	85	53.6 Å²	53.6	37%	0.373	31%	0.313	S	S	.	.	S	Bend	trans	-127	74	149.3	-106.9	-85.9	0	0	0	108.3	N537	N537-F586 WeakPolarHBondContact O-CD1 3.35Å; N537-F586 VanDerWaalsContact O-CE1 3.3Å; N537-F586 WeakPolarHBondContact O-CE1 3.44Å
587	G	48.1	Very low	71.8	Confident	58 Å²	58	53.5 Å²	53.5	60%	0.598	31%	0.312	S	S	*	.			trans	72.9	161.4	-178.4	0	0	0	0	0	114.1
588	D	49.5	Very low	72.2	Confident	100 Å²	100	55.5 Å²	55.5	54%	0.535	32%	0.324	S	S	.	.			trans	-110.7	112.3	173.3	-166.5	-15.1	0	0	0	107	G590 R616	D588-G590 PolarHBondContact O-N 3.04Å; D588-G590 WeakPolarHBondContact OD1-CA 2.98Å; D588-G590 PolarHBondContact OD1-N 3.23Å; D588-R616 VanDerWaalsContact CG-NH1 3.32Å; D588-R616 IonicContact OD1-NH1 2.96Å; D588-R616 PolarHBondContact OD1-NH1 2.02Å; D588-R616 VanDerWaalsContact OD1-NH1 3.09Å; D588-R616 IonicContact OD2-CZ 3.23Å; D588-R616 IonicContact OD2-NH1 3.31Å; D588-R616 PolarHBondContact OD2-NH1 2.77Å; D588-R616 IonicContact OD2-NH2 3.8Å
589	S	51.3	Low	72.5	Confident	56 Å²	56	54 Å²	54	39%	0.392	32%	0.318	S	S	.	.			trans	-63.7	-16.7	172.3	65.2	0	0	0	0	112.6	E591 E624	S589-E591 PolarHBondContact O-N 2.96Å; S589-E591 PolarHBondContact OG-N 3.19Å; S589-E624 WeakPolarHBondContact CB-OE1 3.45Å; S589-E624 PolarHBondContact N-OE2 3Å; S589-E624 PolarHBondContact OG-OE1 3.25Å
590	G	56.3	Low	72.4	Confident	57 Å²	57	56.7 Å²	56.7	59%	0.588	34%	0.336	S	S	*	.			trans	74.4	3.7	-175.5	0	0	0	0	0	113.9	D588	D588-G590 PolarHBondContact O-N 3.04Å; D588-G590 WeakPolarHBondContact OD1-CA 2.98Å; D588-G590 PolarHBondContact OD1-N 3.23Å
591	E	59	Low	72.4	Confident	103 Å²	103	56.6 Å²	56.6	48%	0.481	34%	0.337	S	S	.	.			trans	-73.6	132.4	178.6	-68.6	-158.2	152.3	0	0	111.6	Y558 S589	Y558-E591 PolarHBondContact OH-O 2.99Å; S589-E591 PolarHBondContact O-N 2.96Å; S589-E591 PolarHBondContact OG-N 3.19Å
592	L	66.3	Low	72.3	Confident	108 Å²	108	56.9 Å²	56.9	57%	0.565	35%	0.348	S	S	*	.	S	Bend	trans	-81.9	-13.3	-179.6	-72	168.1	0	0	0	113.5	T615 R616	L592-T615 CarbonylContact O-C 3.51Å; L592-T615 WeakPolarHBondContact O-CA 3.37Å; L592-T615 WeakPolarHBondContact O-CG2 3.46Å; L592-R616 PolarHBondContact O-N 2.91Å
593	R	77.3	Confident	72.5	Confident	156 Å²	156	56.9 Å²	56.9	59%	0.589	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.9	-175.5	-68	-177.3	178.9	174.9	0.5	109.5	T615	R593-T615 HydrophobicContact CG-CG2 4.36Å
594	G	83.1	Confident	73	Confident	3 Å²	3	65.6 Å²	65.6	3%	0.031	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	-154	177.4	0	0	0	0	0	110.2	S556 Y614	S556-G594 CarbonylContact O-C 3Å; S556-G594 WeakPolarHBondContact O-CA 3.08Å; G594-Y614 PolarHBondContact N-O 2.95Å; G594-Y614 PolarHBondContact O-N 2.81Å; G594-Y614 VanDerWaalsContact O-O 3.13Å
595	L	87.3	Confident	74	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.6	-172.1	-60.8	174	0	0	0	111.1	V548 N550 S556 V557 Y558 V611 R612 E613	V548-L595 HydrophobicContact CB-CD1 3.81Å; V548-L595 HydrophobicContact CG1-CD1 4.2Å; N550-L595 HydrophobicContact CB-CD1 4.24Å; S556-L595 PolarHBondContact O-N 3.1Å; V557-L595 CarbonylContact C-O 3.57Å; V557-L595 WeakPolarHBondContact CA-O 3.5Å; V557-L595 HydrophobicContact CG2-CB 4.37Å; Y558-L595 PolarHBondContact N-O 2.74Å; L595-V611 HydrophobicContact CB-CG1 4.1Å; L595-V611 HydrophobicContact CD1-CG1 3.92Å; L595-V611 HydrophobicContact CD2-CG1 4.11Å; L595-V611 HydrophobicContact CG-CG1 4.26Å; L595-R612 CarbonylContact C-O 3.47Å; L595-R612 WeakPolarHBondContact CA-O 3.49Å; L595-E613 HydrophobicContact CD2-CG 4.24Å
596	K	89	Confident	75.6	Confident	60 Å²	60	62 Å²	62	26%	0.261	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.1	163.8	177.4	175.1	178.8	170.8	0	108.3	I560 N561 V611 R612	I560-K596 HydrophobicContact CB-CD 4.08Å; I560-K596 HydrophobicContact CB-CG 4.26Å; I560-K596 HydrophobicContact CG2-CD 3.74Å; I560-K596 HydrophobicContact CG2-CG 4.45Å; I560-K596 WeakPolarHBondContact O-CE 3.49Å; I560-K596 WeakPolarHBondContact O-CG 3.49Å; N561-K596 VanDerWaalsContact CG-CE 3.48Å; N561-K596 VanDerWaalsContact CG-NZ 3.3Å; N561-K596 VanDerWaalsContact ND2-CE 3.26Å; N561-K596 WeakPolarHBondContact ND2-CE 3.33Å; N561-K596 PolarHBondContact ND2-NZ 3.28Å; N561-K596 PolarHBondContact OD1-NZ 3.18Å; K596-V611 WeakPolarHBondContact O-CA 3.01Å; K596-R612 PolarHBondContact N-O 2.84Å; K596-R612 PolarHBondContact O-N 3.28Å
597	M	90.8	Very high	77.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.2	179.9	-174.1	169.3	79.9	0	0	110.5	V557 F562 E566 V570 V606 C609 T610 V611	V557-M597 HydrophobicContact CG1-CB 3.79Å; F562-M597 HydrophobicContact CD2-CE 4.04Å; F562-M597 HydrophobicContact CE2-CE 3.42Å; F562-M597 VanDerWaalsContact CE2-CE 3.42Å; F562-M597 HydrophobicContact CZ-CE 4.28Å; E566-M597 HydrophobicContact CB-CE 3.76Å; E566-M597 HydrophobicContact CG-CE 4.12Å; V570-M597 HydrophobicContact CG2-CE 3.7Å; M597-V606 HydrophobicContact SD-CB 4.27Å; M597-V606 HydrophobicContact SD-CG1 4.16Å; M597-C609 HydrophobicContact CG-CB 4.07Å; M597-C609 HydrophobicContact SD-CB 4.49Å; M597-T610 WeakPolarHBondContact CA-O 3.46Å; M597-V611 HydrophobicContact CG-CG2 4.12Å; M597-V611 HydrophobicContact SD-CG2 4.49Å
598	S	91.6	Very high	79.3	Confident	50 Å²	50	65.1 Å²	65.1	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.2	171.3	-171.1	0	0	0	0	110.7	E566 C609 T610	E566-S598 WeakPolarHBondContact OE1-CA 3.44Å; S598-C609 WeakPolarHBondContact O-CB 3.5Å; S598-T610 PolarHBondContact N-O 3.28Å; S598-T610 PolarHBondContact O-N 3.04Å
599	C	91.9	Very high	81.3	Confident	11 Å²	11	61 Å²	61	7%	0.074	33%	0.329	C	S	.	.			trans	-129.4	153.9	-175.7	-56.4	0	0	0	0	110.6	E566 V569 G601 C609	E566-C599 HydrophobicContact CG-CB 4.2Å; E566-C599 PolarHBondContact OE1-N 2.96Å; V569-C599 HydrophobicContact CB-CB 4.46Å; V569-C599 HydrophobicContact CG2-CB 3.8Å; C599-G601 VanDerWaalsContact C-N 3.35Å; C599-C609 HydrophobicContact CB-CB 4.17Å; C599-C609 WeakPolarHBondContact CB-SG 3.17Å; C599-C609 WeakPolarHBondContact SG-CB 3.36Å; C599-C609 CovalentContact SG-SG 2.04Å; C599-C609 PolarHBondContact SG-SG 3.33Å
600	S	85.9	Confident	83.2	Confident	67 Å²	67	62 Å²	62	47%	0.469	33%	0.333	S	S	.	.			trans	-79.5	-19	169.9	68.6	0	0	0	0	112.9	T602 E603	S600-T602 PolarHBondContact OG-OG1 2.89Å; S600-E603 VanDerWaalsContact CB-OE1 3.26Å; S600-E603 WeakPolarHBondContact CB-OE1 3.37Å; S600-E603 PolarHBondContact N-OE1 3.31Å; S600-E603 PolarHBondContact N-OE2 3.48Å; S600-E603 VanDerWaalsContact N-OE2 3.13Å; S600-E603 PolarHBondContact OG-OE1 3.44Å; S600-E603 PolarHBondContact OG-OE2 2.81Å
601	G	83.6	Confident	84.8	Confident	11 Å²	11	61.2 Å²	61.2	11%	0.113	32%	0.317	C	S	.	.	S	Bend	trans	97.3	-9.1	-178.1	0	0	0	0	0	113.7	R572 C599 E603	R572-G601 PolarHBondContact NH1-O 2.85Å; R572-G601 PolarHBondContact NH2-O 2.04Å; R572-G601 VanDerWaalsContact NH2-O 3.07Å; C599-G601 VanDerWaalsContact C-N 3.35Å; G601-E603 PolarHBondContact N-OE2 3.31Å
602	T	82.6	Confident	86.2	Confident	116 Å²	116	64.8 Å²	64.8	71%	0.712	33%	0.326	S	S	*	.			trans	-101	-10.4	-177.8	62.8	0	0	0	0	113.7	S600	S600-T602 PolarHBondContact OG-OG1 2.89Å
603	E	88.8	Confident	87.1	Confident	30 Å²	30	66.3 Å²	66.3	14%	0.14	33%	0.33	C	S	.	.			trans	-63.3	148.2	179.5	-61.6	82.7	178	0	0	111.7	V569 R572 S600 G601 Q608	V569-E603 HydrophobicContact CG1-CB 3.97Å; V569-E603 HydrophobicContact CG2-CB 3.89Å; V569-E603 WeakPolarHBondContact CG2-OE2 3.32Å; R572-E603 PolarHBondContact NH1-O 3.1Å; S600-E603 VanDerWaalsContact CB-OE1 3.26Å; S600-E603 WeakPolarHBondContact CB-OE1 3.37Å; S600-E603 PolarHBondContact N-OE1 3.31Å; S600-E603 PolarHBondContact N-OE2 3.48Å; S600-E603 VanDerWaalsContact N-OE2 3.13Å; S600-E603 PolarHBondContact OG-OE1 3.44Å; S600-E603 PolarHBondContact OG-OE2 2.81Å; G601-E603 PolarHBondContact N-OE2 3.31Å; E603-Q608 HydrophobicContact CB-CB 4Å; E603-Q608 HydrophobicContact CG-CB 3.86Å
604	R	82.6	Confident	87.4	Confident	206 Å²	206	62 Å²	62	78%	0.777	31%	0.314	S	S	*	.	S	Bend	trans	-88.4	-24.5	177.2	-68.2	-174.8	178.3	171.9	-0.9	113
605	S	85.8	Confident	87.3	Confident	21 Å²	21	66.1 Å²	66.1	15%	0.147	34%	0.339	C	S	.	.	S	Bend	trans	-141.9	151.8	179.9	172.6	0	0	0	0	111.7	D573 T607 Q608	D573-S605 VanDerWaalsContact CG-CA 3.42Å; D573-S605 WeakPolarHBondContact OD1-CB 3.48Å; D573-S605 PolarHBondContact OD1-OG 3.25Å; D573-S605 VanDerWaalsContact OD2-CA 3.24Å; D573-S605 WeakPolarHBondContact OD2-CA 3.5Å; D573-S605 WeakPolarHBondContact OD2-CB 3.41Å; D573-S605 PolarHBondContact OD2-OG 2.81Å; S605-T607 PolarHBondContact O-N 3.3Å; S605-T607 VanDerWaalsContact O-N 3.15Å; S605-T607 PolarHBondContact OG-N 3.12Å; S605-T607 PolarHBondContact OG-OG1 3.14Å; S605-Q608 WeakPolarHBondContact O-CB 3.38Å; S605-Q608 PolarHBondContact O-N 2.84Å
606	V	88	Confident	86.5	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.012	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.8	-22.2	176.4	-62.3	0	0	0	0	112.9	L533 V569 V570 D573 M597 Q608 C609	L533-V606 HydrophobicContact CB-CG2 4.01Å; L533-V606 HydrophobicContact CD1-CG1 4.11Å; L533-V606 HydrophobicContact CD1-CG2 4.49Å; L533-V606 HydrophobicContact CD2-CG1 3.75Å; L533-V606 HydrophobicContact CD2-CG2 4.45Å; L533-V606 HydrophobicContact CG-CG1 4.41Å; V569-V606 HydrophobicContact CG1-CG1 4.27Å; V570-V606 HydrophobicContact CG2-CG1 4.07Å; D573-V606 WeakPolarHBondContact OD2-CG2 3.49Å; D573-V606 PolarHBondContact OD2-N 2.97Å; M597-V606 HydrophobicContact SD-CB 4.27Å; M597-V606 HydrophobicContact SD-CG1 4.16Å; V606-Q608 PolarHBondContact O-N 3.11Å; V606-C609 WeakPolarHBondContact O-CB 3.33Å; V606-C609 PolarHBondContact O-N 2.77Å
607	T	85.1	Confident	85.5	Confident	90 Å²	90	69.3 Å²	69.3	55%	0.552	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.9	174.5	56.8	0	0	0	0	113.3	N532 S605	N532-T607 HydrophobicContact CB-CG2 3.96Å; N532-T607 WeakPolarHBondContact ND2-CG2 3.37Å; S605-T607 PolarHBondContact O-N 3.3Å; S605-T607 VanDerWaalsContact O-N 3.15Å; S605-T607 PolarHBondContact OG-N 3.12Å; S605-T607 PolarHBondContact OG-OG1 3.14Å
608	Q	90.3	Very high	84	Confident	117 Å²	117	80.7 Å²	80.7	55%	0.547	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-89.5	-9.4	175.4	-54.4	-178.7	-69.7	0	0	112.3	E603 S605 V606	E603-Q608 HydrophobicContact CB-CB 4Å; E603-Q608 HydrophobicContact CG-CB 3.86Å; S605-Q608 WeakPolarHBondContact O-CB 3.38Å; S605-Q608 PolarHBondContact O-N 2.84Å; V606-Q608 PolarHBondContact O-N 3.11Å
609	C	91.1	Very high	82.5	Confident	13 Å²	13	85.6 Å²	85.6	9%	0.088	43%	0.425	C	S	.	.	S	Bend	trans	-83.5	160.8	176.1	-63	0	0	0	0	112	M597 S598 C599 V606 V611	M597-C609 HydrophobicContact CG-CB 4.07Å; M597-C609 HydrophobicContact SD-CB 4.49Å; S598-C609 WeakPolarHBondContact O-CB 3.5Å; C599-C609 HydrophobicContact CB-CB 4.17Å; C599-C609 WeakPolarHBondContact CB-SG 3.17Å; C599-C609 WeakPolarHBondContact SG-CB 3.36Å; C599-C609 CovalentContact SG-SG 2.04Å; C599-C609 PolarHBondContact SG-SG 3.33Å; V606-C609 WeakPolarHBondContact O-CB 3.33Å; V606-C609 PolarHBondContact O-N 2.77Å; C609-V611 PolarHBondContact O-N 3.35Å
610	T	91.8	Very high	81.3	Confident	79 Å²	79	87.6 Å²	87.6	49%	0.485	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.6	173.7	-59.9	0	0	0	0	109.6	M597 S598 R612	M597-T610 WeakPolarHBondContact CA-O 3.46Å; S598-T610 PolarHBondContact N-O 3.28Å; S598-T610 PolarHBondContact O-N 3.04Å; T610-R612 HydrophobicContact CG2-CG 4.35Å
611	V	88.9	Confident	80.3	Confident	40 Å²	40	87.5 Å²	87.5	24%	0.242	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.1	178	-175.8	0	0	0	0	110.2	L595 K596 M597 C609	L595-V611 HydrophobicContact CB-CG1 4.1Å; L595-V611 HydrophobicContact CD1-CG1 3.92Å; L595-V611 HydrophobicContact CD2-CG1 4.11Å; L595-V611 HydrophobicContact CG-CG1 4.26Å; K596-V611 WeakPolarHBondContact O-CA 3.01Å; M597-V611 HydrophobicContact CG-CG2 4.12Å; M597-V611 HydrophobicContact SD-CG2 4.49Å; C609-V611 PolarHBondContact O-N 3.35Å
612	R	88.2	Confident	79.9	Confident	178 Å²	178	87.4 Å²	87.4	67%	0.672	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.3	-180	-62.1	-174	-178.2	-172.7	1	111.4	L595 K596 T610	L595-R612 CarbonylContact C-O 3.47Å; L595-R612 WeakPolarHBondContact CA-O 3.49Å; K596-R612 PolarHBondContact N-O 2.84Å; K596-R612 PolarHBondContact O-N 3.28Å; T610-R612 HydrophobicContact CG2-CG 4.35Å
613	E	86.6	Confident	79.6	Confident	139 Å²	139	85.8 Å²	85.8	65%	0.65	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.2	172.1	-67.5	-163.6	147	0	0	111.5	R553 L595	R553-E613 IonicContact NH2-OE1 3.19Å; R553-E613 PolarHBondContact NH2-OE1 2.81Å; L595-E613 HydrophobicContact CD2-CG 4.24Å
614	Y	82.9	Confident	79.4	Confident	67 Å²	67	84.6 Å²	84.6	26%	0.263	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.2	176.6	-176.8	-99.7	0	0	0	110	Y558 I560 G594 R616 D620 T622	Y558-Y614 AromaticContact CD2-CD1 3.73Å; Y558-Y614 HydrophobicContact CD2-CD1 3.73Å; Y558-Y614 HydrophobicContact CE2-CD1 4.17Å; Y558-Y614 HydrophobicContact CG-CD1 4.39Å; I560-Y614 HydrophobicContact CD1-CD1 3.65Å; I560-Y614 HydrophobicContact CD1-CD2 3.88Å; I560-Y614 HydrophobicContact CD1-CE1 3.26Å; I560-Y614 HydrophobicContact CD1-CE2 3.51Å; I560-Y614 HydrophobicContact CD1-CG 3.94Å; G594-Y614 PolarHBondContact N-O 2.95Å; G594-Y614 PolarHBondContact O-N 2.81Å; G594-Y614 VanDerWaalsContact O-O 3.13Å; Y614-R616 HydrophobicContact CE1-CB 4.43Å; Y614-D620 PolarHBondContact OH-OD2 2.83Å; Y614-T622 HydrophobicContact CE1-CG2 4.45Å
615	T	80.5	Confident	79.7	Confident	89 Å²	89	74.8 Å²	74.8	55%	0.546	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.1	176.2	-55.4	0	0	0	0	108.8	L592 R593	L592-T615 CarbonylContact O-C 3.51Å; L592-T615 WeakPolarHBondContact O-CA 3.37Å; L592-T615 WeakPolarHBondContact O-CG2 3.46Å; R593-T615 HydrophobicContact CG-CG2 4.36Å
616	R	70.3	Confident	79.8	Confident	56 Å²	56	73.8 Å²	73.8	21%	0.211	38%	0.377	C	S	.	.			trans	-74	140	-178.4	-169.8	-178.9	178.6	-159.1	2.7	110.8	D588 L592 Y614 D620 T622	D588-R616 VanDerWaalsContact CG-NH1 3.32Å; D588-R616 IonicContact OD1-NH1 2.96Å; D588-R616 PolarHBondContact OD1-NH1 2.02Å; D588-R616 VanDerWaalsContact OD1-NH1 3.09Å; D588-R616 IonicContact OD2-CZ 3.23Å; D588-R616 IonicContact OD2-NH1 3.31Å; D588-R616 PolarHBondContact OD2-NH1 2.77Å; D588-R616 IonicContact OD2-NH2 3.8Å; L592-R616 PolarHBondContact O-N 2.91Å; Y614-R616 HydrophobicContact CE1-CB 4.43Å; R616-D620 WeakPolarHBondContact CA-OD2 3.32Å; R616-D620 WeakPolarHBondContact CG-OD1 3.43Å; R616-D620 WeakPolarHBondContact CG-OD2 3.45Å; R616-D620 IonicContact NE-OD1 3.29Å; R616-T622 PolarHBondContact NE-O 3.42Å; R616-T622 PolarHBondContact NH2-O 2.78Å
617	S	67.7	Low	79.9	Confident	72 Å²	72	73.9 Å²	73.9	50%	0.503	38%	0.378	S	S	.	.			trans	-101.9	144.5	170.2	-179.5	0	0	0	0	109.8	N619 D620	S617-N619 PolarHBondContact O-N 3.04Å; S617-D620 PolarHBondContact N-OD2 3.34Å; S617-D620 PolarHBondContact O-N 3.24Å; S617-D620 VanDerWaalsContact O-N 3.14Å
618	R	60.5	Low	80.1	Confident	240 Å²	240	73.5 Å²	73.5	91%	0.906	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-11	-178.3	-94.4	-178.6	178.6	171.6	-0.5	115.5
619	N	60.3	Low	80.1	Confident	154 Å²	154	68.3 Å²	68.3	82%	0.824	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	8.4	-175.1	-64.9	-8	0	0	0	114.1	S617	S617-N619 PolarHBondContact O-N 3.04Å
620	D	65.7	Low	79.8	Confident	52 Å²	52	68.1 Å²	68.1	28%	0.278	35%	0.345	S	S	.	.	S	Bend	trans	-89.7	-6.5	-170.3	68.1	23.7	0	0	0	115.6	Y614 R616 S617 T622	Y614-D620 PolarHBondContact OH-OD2 2.83Å; R616-D620 WeakPolarHBondContact CA-OD2 3.32Å; R616-D620 WeakPolarHBondContact CG-OD1 3.43Å; R616-D620 WeakPolarHBondContact CG-OD2 3.45Å; R616-D620 IonicContact NE-OD1 3.29Å; S617-D620 PolarHBondContact N-OD2 3.34Å; S617-D620 PolarHBondContact O-N 3.24Å; S617-D620 VanDerWaalsContact O-N 3.14Å; D620-T622 PolarHBondContact O-N 3.31Å; D620-T622 VanDerWaalsContact O-N 3.11Å; D620-T622 WeakPolarHBondContact OD1-CB 3.44Å; D620-T622 PolarHBondContact OD1-N 2.95Å; D620-T622 PolarHBondContact OD1-OG1 2.72Å; D620-T622 PolarHBondContact OD2-OG1 2.86Å
621	G	65.9	Low	79.5	Confident	66 Å²	66	65.3 Å²	65.3	68%	0.68	33%	0.332	S	S	*	.			trans	63.4	12.7	179.5	0	0	0	0	0	114.4
622	T	74.3	Confident	79.1	Confident	9 Å²	9	64.9 Å²	64.9	6%	0.055	33%	0.328	C	S	.	.			trans	-74	138.3	179.9	-50.7	0	0	0	0	109.8	Y558 N559 I560 Y614 R616 D620	Y558-T622 HydrophobicContact CD1-CG2 3.68Å; Y558-T622 HydrophobicContact CG-CG2 3.81Å; N559-T622 WeakPolarHBondContact OD1-CG2 3.28Å; I560-T622 HydrophobicContact CD1-CG2 3.76Å; I560-T622 HydrophobicContact CG1-CG2 3.59Å; Y614-T622 HydrophobicContact CE1-CG2 4.45Å; R616-T622 PolarHBondContact NE-O 3.42Å; R616-T622 PolarHBondContact NH2-O 2.78Å; D620-T622 PolarHBondContact O-N 3.31Å; D620-T622 VanDerWaalsContact O-N 3.11Å; D620-T622 WeakPolarHBondContact OD1-CB 3.44Å; D620-T622 PolarHBondContact OD1-N 2.95Å; D620-T622 PolarHBondContact OD1-OG1 2.72Å; D620-T622 PolarHBondContact OD2-OG1 2.86Å
623	E	77.1	Confident	79.1	Confident	81 Å²	81	56.4 Å²	56.4	38%	0.379	30%	0.296	S	S	.	.			trans	-122.6	158.2	177.1	-62.3	179	165.2	0	0	110	Y558 N559 G584 S585	Y558-E623 WeakPolarHBondContact CA-O 3.29Å; N559-E623 WeakPolarHBondContact CB-O 3.47Å; N559-E623 VanDerWaalsContact CG-O 3.32Å; N559-E623 PolarHBondContact N-O 3.17Å; N559-E623 PolarHBondContact OD1-N 3.16Å; N559-E623 VanDerWaalsContact OD1-N 3.16Å; N559-E623 PolarHBondContact OD1-O 3.15Å; G584-E623 VanDerWaalsContact CA-OE2 3.31Å; G584-E623 WeakPolarHBondContact CA-OE2 3.26Å; S585-E623 PolarHBondContact N-OE2 2.73Å
624	E	83.9	Confident	79.2	Confident	5 Å²	5	51.8 Å²	51.8	2%	0.023	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-66.8	136.5	173.1	-63.1	179.1	134.3	0	0	109.8	R545 S556 Y558 S589	R545-E624 WeakPolarHBondContact CD-OE2 3.45Å; R545-E624 HydrophobicContact CG-CB 4.04Å; R545-E624 IonicContact NE-OE2 2.79Å; S556-E624 WeakPolarHBondContact CB-OE1 3.42Å; S556-E624 PolarHBondContact OG-OE1 3.03Å; Y558-E624 HydrophobicContact CD1-CG 4.22Å; Y558-E624 HydrophobicContact CE1-CG 3.91Å; S589-E624 WeakPolarHBondContact CB-OE1 3.45Å; S589-E624 PolarHBondContact N-OE2 3Å; S589-E624 PolarHBondContact OG-OE1 3.25Å
625	A	88.3	Confident	79.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.3	178.8	0	0	0	0	0	110.2	V546 V557 F562	V546-A625 PolarHBondContact N-O 3.44Å; V557-A625 HydrophobicContact CB-CB 4.38Å; V557-A625 HydrophobicContact CG1-CB 4.23Å; V557-A625 WeakPolarHBondContact O-CB 3.33Å; V557-A625 PolarHBondContact O-N 3.44Å; F562-A625 HydrophobicContact CB-CB 4.09Å; F562-A625 HydrophobicContact CD1-CB 3.79Å; F562-A625 HydrophobicContact CD2-CB 3.53Å; F562-A625 HydrophobicContact CE1-CB 4.08Å; F562-A625 HydrophobicContact CE2-CB 3.81Å; F562-A625 HydrophobicContact CG-CB 3.52Å; F562-A625 HydrophobicContact CZ-CB 4.1Å
626	S	88.6	Confident	79.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.4	175.7	59.3	0	0	0	0	110.3	G544 S583	G544-S626 CarbonylContact O-C 3.51Å; G544-S626 WeakPolarHBondContact O-CA 3.06Å; G544-S626 WeakPolarHBondContact O-CB 3.26Å; S583-S626 PolarHBondContact N-O 3.39Å; S583-S626 PolarHBondContact O-N 3.21Å; S583-S626 PolarHBondContact O-OG 2.8Å; S583-S626 PolarHBondContact OG-OG 2.76Å
627	V	90.8	Very high	80.3	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.9	176.4	-62.2	0	0	0	0	110.3	L535 S543 G544 V546 F562 A567 V570 K581	L535-V627 HydrophobicContact CD1-CG2 3.78Å; L535-V627 HydrophobicContact CD2-CG2 3.52Å; L535-V627 HydrophobicContact CG-CG2 4.32Å; S543-V627 CarbonylContact C-O 3.55Å; S543-V627 VanDerWaalsContact CA-O 3.25Å; S543-V627 WeakPolarHBondContact CA-O 3.21Å; G544-V627 PolarHBondContact N-O 3.29Å; G544-V627 PolarHBondContact O-N 2.87Å; V546-V627 HydrophobicContact CG2-CB 4.47Å; V546-V627 HydrophobicContact CG2-CG1 3.79Å; V546-V627 HydrophobicContact CG2-CG2 4.05Å; F562-V627 HydrophobicContact CE1-CG1 3.69Å; F562-V627 HydrophobicContact CZ-CG1 3.59Å; A567-V627 HydrophobicContact CB-CG1 3.71Å; V570-V627 HydrophobicContact CB-CG1 4.3Å; V570-V627 HydrophobicContact CG1-CB 4.46Å; V570-V627 HydrophobicContact CG1-CG1 4.09Å; V570-V627 HydrophobicContact CG1-CG2 3.7Å; K581-V627 WeakPolarHBondContact O-CA 3.38Å
628	Q	88.4	Confident	80.7	Confident	82 Å²	82	46.6 Å²	46.6	38%	0.383	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.5	161.3	-172.4	174.1	11.2	0	0	107	V580 K581	V580-Q628 WeakPolarHBondContact CA-O 3.27Å; V580-Q628 WeakPolarHBondContact CB-O 3.35Å; V580-Q628 PolarHBondContact N-O 3.45Å; K581-Q628 HydrophobicContact CB-CB 3.97Å; K581-Q628 PolarHBondContact N-O 2.85Å; K581-Q628 PolarHBondContact O-N 3.37Å
629	C	89.8	Confident	81.2	Confident	8 Å²	8	40.6 Å²	40.6	5%	0.054	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	164.5	177.4	-46.5	0	0	0	0	110	C542 C571 C576 D578 G631	C542-C629 HydrophobicContact CB-CB 4.21Å; C542-C629 VanDerWaalsContact O-CB 3.29Å; C542-C629 WeakPolarHBondContact O-CB 3.3Å; C542-C629 PolarHBondContact O-N 3.33Å; C542-C629 PolarHBondContact O-SG 2.86Å; C571-C629 WeakPolarHBondContact CA-SG 3.45Å; C571-C629 HydrophobicContact CB-CB 3.67Å; C571-C629 WeakPolarHBondContact CB-SG 3.33Å; C571-C629 VanDerWaalsContact SG-CA 3.6Å; C571-C629 WeakPolarHBondContact SG-CB 3.23Å; C571-C629 CovalentContact SG-SG 2.02Å; C571-C629 PolarHBondContact SG-SG 3.23Å; C576-C629 HydrophobicContact CB-CB 3.61Å; C576-C629 WeakPolarHBondContact O-CB 3.37Å; D578-C629 CarbonylContact O-C 3.49Å; D578-C629 WeakPolarHBondContact O-CA 3.25Å; C629-G631 PolarHBondContact O-N 3.23Å
630	S	85.1	Confident	81.9	Confident	8 Å²	8	35.8 Å²	35.8	6%	0.056	22%	0.218	C	C	.	.			trans	-73	-12.1	180	57.4	0	0	0	0	113	C576 D578 N632 V633 Q673	C576-S630 PolarHBondContact O-N 3.2Å; D578-S630 PolarHBondContact N-OG 3.21Å; D578-S630 PolarHBondContact O-N 3.18Å; D578-S630 PolarHBondContact O-OG 3.5Å; S630-N632 PolarHBondContact O-N 3.42Å; S630-V633 VanDerWaalsContact CB-O 3.29Å; S630-V633 WeakPolarHBondContact CB-O 3.22Å; S630-V633 PolarHBondContact OG-O 3Å; S630-Q673 PolarHBondContact O-NE2 3.23Å
631	G	84.9	Confident	82.5	Confident	20 Å²	20	36.8 Å²	36.8	21%	0.206	22%	0.219	C	C	.	.	S	Bend	trans	82.6	-92.1	179	0	0	0	0	0	110.7	C576 G577 C629	C576-G631 CarbonylContact C-O 3.56Å; C576-G631 WeakPolarHBondContact CA-O 3.08Å; C576-G631 WeakPolarHBondContact O-CA 3.49Å; C576-G631 PolarHBondContact O-N 3.41Å; G577-G631 PolarHBondContact N-O 3.31Å; C629-G631 PolarHBondContact O-N 3.23Å
632	N	81.8	Confident	83.4	Confident	32 Å²	32	33.8 Å²	33.8	17%	0.171	19%	0.187	C	C	.	.	S	Bend	trans	-117.9	12.7	-168.8	62.3	-0.4	0	0	0	115	S630 F648 F649 W654 Q673 S710	S630-N632 PolarHBondContact O-N 3.42Å; N632-F648 HydrophobicContact CB-CE2 4.28Å; N632-F648 CarbonylContact O-C 3.58Å; N632-F648 VanDerWaalsContact O-CA 3.3Å; N632-F648 WeakPolarHBondContact O-CA 3.46Å; N632-F648 VanDerWaalsContact O-CD2 3.23Å; N632-F648 WeakPolarHBondContact O-CD2 3.18Å; N632-F649 HydrophobicContact CB-CB 3.89Å; N632-F649 PolarHBondContact O-N 3.1Å; N632-W654 WeakPolarHBondContact O-CZ3 3.24Å; N632-Q673 PolarHBondContact OD1-NE2 3.13Å; N632-S710 PolarHBondContact ND2-OG 2.88Å
633	V	88.6	Confident	84	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.6	174.1	175.6	0	0	0	0	109.1	S630 V646 E647 F648 V670 L709	S630-V633 VanDerWaalsContact CB-O 3.29Å; S630-V633 WeakPolarHBondContact CB-O 3.22Å; S630-V633 PolarHBondContact OG-O 3Å; V633-V646 HydrophobicContact CG1-CG1 4.38Å; V633-E647 WeakPolarHBondContact CA-O 3.01Å; V633-F648 HydrophobicContact CG2-CD2 3.9Å; V633-F648 HydrophobicContact CG2-CE2 4.48Å; V633-V670 HydrophobicContact CG1-CB 4.43Å; V633-V670 HydrophobicContact CG1-CG1 3.79Å; V633-V670 HydrophobicContact CG1-CG2 4.02Å; V633-L709 HydrophobicContact CG2-CB 3.69Å; V633-L709 HydrophobicContact CG2-CD2 3.86Å; V633-L709 HydrophobicContact CG2-CG 4.43Å
634	K	88.3	Confident	84.6	Confident	42 Å²	42	29.7 Å²	29.7	18%	0.183	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.4	170.3	68.4	-177.3	-176.4	179.7	0	111.3	D578 E647 W654	D578-K634 VanDerWaalsContact OD2-CA 3.3Å; D578-K634 WeakPolarHBondContact OD2-CA 3.5Å; D578-K634 VanDerWaalsContact OD2-CB 3.29Å; D578-K634 WeakPolarHBondContact OD2-CB 2.96Å; K634-E647 WeakPolarHBondContact CE-OE2 3.31Å; K634-E647 HydrophobicContact CG-CB 3.88Å; K634-E647 PolarHBondContact N-O 3.45Å; K634-E647 IonicContact NZ-OE2 3.17Å; K634-E647 PolarHBondContact NZ-OE2 3.34Å; K634-E647 PolarHBondContact O-N 2.96Å; K634-W654 HydrophobicContact CB-CH2 4.24Å; K634-W654 HydrophobicContact CB-CZ3 4.21Å; K634-W654 HydrophobicContact CD-CD2 4.06Å; K634-W654 HydrophobicContact CD-CE3 3.94Å; K634-W654 HydrophobicContact CD-CH2 4.07Å; K634-W654 HydrophobicContact CD-CZ2 4.2Å; K634-W654 HydrophobicContact CD-CZ3 3.94Å; K634-W654 HydrophobicContact CG-CE3 3.97Å; K634-W654 HydrophobicContact CG-CH2 4.04Å; K634-W654 HydrophobicContact CG-CZ3 3.66Å
635	L	87.9	Confident	84.8	Confident	15 Å²	15	29.9 Å²	29.9	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.3	174.8	-61.3	-178.7	0	0	0	110.4	D578 R645 V646 V670 L674 V730	D578-L635 PolarHBondContact OD2-N 2.92Å; L635-R645 WeakPolarHBondContact CA-O 3.03Å; L635-V646 HydrophobicContact CD2-CB 4.47Å; L635-V646 HydrophobicContact CD2-CG2 3.82Å; L635-V670 HydrophobicContact CD2-CG1 4.07Å; L635-L674 HydrophobicContact CD1-CD1 3.57Å; L635-L674 HydrophobicContact CD2-CD1 4.14Å; L635-L674 HydrophobicContact CG-CD1 3.47Å; L635-L674 VanDerWaalsContact CG-CD1 3.47Å; L635-V730 HydrophobicContact CD1-CG1 3.99Å; L635-V730 HydrophobicContact CD2-CG1 3.57Å; L635-V730 HydrophobicContact CG-CG1 4.46Å
636	S	86.8	Confident	84.9	Confident	22 Å²	22	29.9 Å²	29.9	15%	0.154	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	149.9	-176.7	-61.2	0	0	0	0	112	G638 R645	S636-G638 PolarHBondContact O-N 3.3Å; S636-G638 VanDerWaalsContact O-N 3.07Å; S636-R645 PolarHBondContact N-O 2.81Å; S636-R645 PolarHBondContact O-N 3.06Å
637	D	82	Confident	84.9	Confident	110 Å²	110	30.5 Å²	30.5	59%	0.588	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.5	20.1	170.6	-60	-41.5	0	0	0	116.2	R645 Y688	D637-R645 IonicContact OD2-CZ 3.69Å; D637-R645 VanDerWaalsContact OD2-CZ 3.23Å; D637-R645 IonicContact OD2-NH1 3.62Å; D637-R645 PolarHBondContact OD2-NH1 3.13Å; D637-R645 IonicContact OD2-NH2 2.84Å; D637-R645 PolarHBondContact OD2-NH2 2.65Å; D637-Y688 WeakPolarHBondContact CB-O 3.47Å; D637-Y688 WeakPolarHBondContact O-CD1 3.29Å
638	G	75.6	Confident	84.7	Confident	28 Å²	28	30.6 Å²	30.6	29%	0.289	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	166.9	171.7	0	0	0	0	0	113.9	S636 H640 A643	S636-G638 PolarHBondContact O-N 3.3Å; S636-G638 VanDerWaalsContact O-N 3.07Å; G638-H640 PolarHBondContact O-N 3.43Å; G638-A643 VanDerWaalsContact CA-O 3.26Å; G638-A643 WeakPolarHBondContact CA-O 3.35Å
639	P	71.2	Confident	84.3	Confident	113 Å²	113	28.7 Å²	28.7	73%	0.734	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73	-10.7	-174.5	30.5	-36.9	0	0	0	113.6	A643	P639-A643 HydrophobicContact CG-CB 4.48Å
640	H	74.4	Confident	83.4	Confident	53 Å²	53	30.3 Å²	30.3	25%	0.245	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.4	-176	-171.4	-85.5	0	0	0	109.7	G638 C642 A643 G734 R754	G638-H640 PolarHBondContact O-N 3.43Å; H640-C642 WeakPolarHBondContact ND1-CB 3.25Å; H640-C642 PolarHBondContact ND1-N 3.22Å; H640-C642 PolarHBondContact O-N 3.21Å; H640-A643 PolarHBondContact O-N 3.32Å; H640-G734 PolarHBondContact CE1-O 3.02Å; H640-G734 VanDerWaalsContact CE1-O 3.29Å; H640-R754 PolarHBondContact NE2-NH2 3.17Å
641	R	78.6	Confident	82.4	Confident	74 Å²	74	37.9 Å²	37.9	28%	0.279	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-8.2	175.7	69.7	178	-121.6	-136.1	3.1	115.8	E757	R641-E757 VanDerWaalsContact NH1-CD 3.35Å; R641-E757 IonicContact NH1-OE1 2.73Å; R641-E757 PolarHBondContact NH1-OE1 2.96Å; R641-E757 IonicContact NH1-OE2 2.88Å; R641-E757 PolarHBondContact NH1-OE2 3.35Å; R641-E757 VanDerWaalsContact NH1-OE2 3.11Å
642	C	85.8	Confident	81.5	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.02	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	13.1	-177.9	-66.7	0	0	0	0	112	H640 C676 C732	H640-C642 WeakPolarHBondContact ND1-CB 3.25Å; H640-C642 PolarHBondContact ND1-N 3.22Å; H640-C642 PolarHBondContact O-N 3.21Å; C642-C676 WeakPolarHBondContact CA-SG 3.03Å; C642-C676 HydrophobicContact CB-CB 3.51Å; C642-C676 WeakPolarHBondContact CB-SG 3.45Å; C642-C676 WeakPolarHBondContact SG-CB 3.19Å; C642-C676 CovalentContact SG-SG 2.03Å; C642-C676 PolarHBondContact SG-SG 2.95Å; C642-C732 HydrophobicContact CB-CB 4.19Å; C642-C732 VanDerWaalsContact O-CB 3.31Å; C642-C732 WeakPolarHBondContact O-CB 3.46Å; C642-C732 PolarHBondContact O-N 3.36Å; C642-C732 PolarHBondContact O-SG 3.19Å; C642-C732 VanDerWaalsContact O-SG 3.39Å
643	A	86.9	Confident	81.1	Confident	3 Å²	3	42.9 Å²	42.9	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.7	174.6	0	0	0	0	0	108.4	G638 P639 H640 V730 I731	G638-A643 VanDerWaalsContact CA-O 3.26Å; G638-A643 WeakPolarHBondContact CA-O 3.35Å; P639-A643 HydrophobicContact CG-CB 4.48Å; H640-A643 PolarHBondContact O-N 3.32Å; A643-V730 CarbonylContact C-O 3.58Å; A643-V730 VanDerWaalsContact CA-O 3.29Å; A643-V730 WeakPolarHBondContact CA-O 3.46Å; A643-I731 HydrophobicContact CB-CG1 4.3Å; A643-I731 HydrophobicContact CB-CG2 4.42Å
644	G	88.2	Confident	80.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-176.1	178.7	0	0	0	0	0	113.9	Y688 G729 V730	G644-Y688 VanDerWaalsContact CA-CD2 3.47Å; G644-G729 VanDerWaalsContact O-CA 3.31Å; G644-G729 WeakPolarHBondContact O-CA 3.38Å; G644-V730 PolarHBondContact N-O 3.15Å; G644-V730 PolarHBondContact O-N 3Å
645	R	89.9	Confident	80.5	Confident	9 Å²	9	42.9 Å²	42.9	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.8	171	-179	179.3	63.4	-101.2	-6.7	109.6	L635 S636 D637 E647 Y688 G689 K727	L635-R645 WeakPolarHBondContact CA-O 3.03Å; S636-R645 PolarHBondContact N-O 2.81Å; S636-R645 PolarHBondContact O-N 3.06Å; D637-R645 IonicContact OD2-CZ 3.69Å; D637-R645 VanDerWaalsContact OD2-CZ 3.23Å; D637-R645 IonicContact OD2-NH1 3.62Å; D637-R645 PolarHBondContact OD2-NH1 3.13Å; D637-R645 IonicContact OD2-NH2 2.84Å; D637-R645 PolarHBondContact OD2-NH2 2.65Å; R645-E647 IonicContact CZ-OE1 2.73Å; R645-E647 IonicContact NE-OE1 2.69Å; R645-E647 PolarHBondContact NE-OE1 2.86Å; R645-E647 IonicContact NH2-OE1 2.83Å; R645-E647 PolarHBondContact NH2-OE1 3.35Å; R645-E647 PolarHBondContact O-N 3.34Å; R645-Y688 PolarHBondContact NH1-O 2.8Å; R645-G689 PolarHBondContact NH1-O 2.69Å; R645-G689 VanDerWaalsContact NH1-O 3.08Å; R645-K727 HydrophobicContact CG-CB 4.44Å
646	V	89.8	Confident	80.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.9	177.4	-176.8	0	0	0	0	109.6	V633 L635 V657 W662 V670 A728 V730	V633-V646 HydrophobicContact CG1-CG1 4.38Å; L635-V646 HydrophobicContact CD2-CB 4.47Å; L635-V646 HydrophobicContact CD2-CG2 3.82Å; V646-V657 HydrophobicContact CG1-CG2 4.09Å; V646-V657 PolarHBondContact O-N 3.15Å; V646-W662 HydrophobicContact CG1-CH2 4.12Å; V646-W662 HydrophobicContact CG2-CH2 4.22Å; V646-W662 HydrophobicContact CG2-CZ2 3.77Å; V646-V670 HydrophobicContact CG1-CG2 4.22Å; V646-V670 HydrophobicContact CG2-CG1 4.45Å; V646-A728 HydrophobicContact CB-CB 4.35Å; V646-A728 PolarHBondContact N-O 3.35Å; V646-V730 HydrophobicContact CG2-CB 4.44Å; V646-V730 HydrophobicContact CG2-CG1 3.88Å
647	E	88.4	Confident	80.4	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.1	168.1	-64.6	-171.7	-175.2	0	0	109.3	V633 K634 R645 W654 G655 T656	V633-E647 WeakPolarHBondContact CA-O 3.01Å; K634-E647 WeakPolarHBondContact CE-OE2 3.31Å; K634-E647 HydrophobicContact CG-CB 3.88Å; K634-E647 PolarHBondContact N-O 3.45Å; K634-E647 IonicContact NZ-OE2 3.17Å; K634-E647 PolarHBondContact NZ-OE2 3.34Å; K634-E647 PolarHBondContact O-N 2.96Å; R645-E647 IonicContact CZ-OE1 2.73Å; R645-E647 IonicContact NE-OE1 2.69Å; R645-E647 PolarHBondContact NE-OE1 2.86Å; R645-E647 IonicContact NH2-OE1 2.83Å; R645-E647 PolarHBondContact NH2-OE1 3.35Å; R645-E647 PolarHBondContact O-N 3.34Å; E647-W654 HydrophobicContact CB-CE3 4Å; E647-W654 WeakPolarHBondContact O-CZ3 3.16Å; E647-G655 WeakPolarHBondContact CA-O 3.44Å; E647-T656 HydrophobicContact CG-CG2 4.43Å
648	F	86.3	Confident	80.3	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.2	-177.4	179.5	-114.8	0	0	0	109.8	N632 V633 D650 G655 V657 W696 L709	N632-F648 HydrophobicContact CB-CE2 4.28Å; N632-F648 CarbonylContact O-C 3.58Å; N632-F648 VanDerWaalsContact O-CA 3.3Å; N632-F648 WeakPolarHBondContact O-CA 3.46Å; N632-F648 VanDerWaalsContact O-CD2 3.23Å; N632-F648 WeakPolarHBondContact O-CD2 3.18Å; V633-F648 HydrophobicContact CG2-CD2 3.9Å; V633-F648 HydrophobicContact CG2-CE2 4.48Å; F648-D650 HydrophobicContact CD1-CB 4.05Å; F648-D650 HydrophobicContact CE1-CB 3.76Å; F648-G655 PolarHBondContact N-O 3.5Å; F648-G655 PolarHBondContact O-N 2.84Å; F648-V657 HydrophobicContact CB-CG2 3.7Å; F648-W696 PolarHBondContact O-NE1 3.09Å; F648-L709 HydrophobicContact CD2-CB 4.39Å; F648-L709 HydrophobicContact CD2-CD2 3.87Å; F648-L709 HydrophobicContact CE2-CB 4.2Å; F648-L709 HydrophobicContact CE2-CD2 4.39Å; F648-L709 HydrophobicContact CG-CD2 4.33Å
649	F	79.8	Confident	80.3	Confident	41 Å²	41	34.9 Å²	34.9	18%	0.18	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.4	179.2	-170.7	-102.3	0	0	0	110	N575 N632 G652 Q653 W654	N575-F649 WeakPolarHBondContact ND2-CE2 3.46Å; N575-F649 WeakPolarHBondContact ND2-CZ 3.46Å; N632-F649 HydrophobicContact CB-CB 3.89Å; N632-F649 PolarHBondContact O-N 3.1Å; F649-G652 VanDerWaalsContact CZ-CA 3.45Å; F649-Q653 VanDerWaalsContact CD2-C 3.43Å; F649-Q653 WeakPolarHBondContact CD2-O 3.35Å; F649-W654 HydrophobicContact CB-CD2 3.87Å; F649-W654 HydrophobicContact CB-CE3 3.79Å; F649-W654 HydrophobicContact CB-CH2 3.8Å; F649-W654 HydrophobicContact CB-CZ2 3.85Å; F649-W654 HydrophobicContact CB-CZ3 3.76Å; F649-W654 AromaticContact CD2-CD1 3.64Å; F649-W654 AromaticContact CD2-CD2 3.84Å; F649-W654 HydrophobicContact CD2-CD2 3.84Å; F649-W654 AromaticContact CD2-CE2 3.68Å; F649-W654 AromaticContact CD2-CG 3.82Å; F649-W654 HydrophobicContact CD2-CG 3.82Å; F649-W654 HydrophobicContact CD2-CZ2 4.3Å; F649-W654 AromaticContact CD2-NE1 3.55Å; F649-W654 HydrophobicContact CG-CD2 4.33Å; F649-W654 HydrophobicContact CG-CZ2 4.3Å
650	D	71.4	Confident	80.6	Confident	43 Å²	43	33.5 Å²	33.5	23%	0.23	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.7	175.7	-177	41.4	0	0	0	109.8	F648 G652 Q653 W696	F648-D650 HydrophobicContact CD1-CB 4.05Å; F648-D650 HydrophobicContact CE1-CB 3.76Å; D650-G652 PolarHBondContact O-N 2.84Å; D650-G652 VanDerWaalsContact O-N 3.08Å; D650-Q653 PolarHBondContact N-O 2.78Å; D650-Q653 VanDerWaalsContact N-O 3.14Å; D650-Q653 PolarHBondContact O-N 3.18Å; D650-W696 HydrophobicContact CB-CD2 4.49Å; D650-W696 HydrophobicContact CB-CH2 3.87Å; D650-W696 HydrophobicContact CB-CZ2 3.64Å; D650-W696 HydrophobicContact CB-CZ3 4.38Å; D650-W696 WeakPolarHBondContact O-CH2 3.44Å; D650-W696 WeakPolarHBondContact O-CZ2 3.37Å
651	K	64	Low	80.4	Confident	166 Å²	166	32.2 Å²	32.2	72%	0.722	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	39.1	178.8	-64.4	165.5	-170.6	167.4	0	114.3	Q653	K651-Q653 VanDerWaalsContact C-N 3.32Å; K651-Q653 PolarHBondContact O-N 2.02Å
652	G	65.4	Low	80.6	Confident	32 Å²	32	28.8 Å²	28.8	33%	0.33	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	8.6	176.3	0	0	0	0	0	115.4	F649 D650	F649-G652 VanDerWaalsContact CZ-CA 3.45Å; D650-G652 PolarHBondContact O-N 2.84Å; D650-G652 VanDerWaalsContact O-N 3.08Å
653	Q	74.8	Confident	80	Confident	125 Å²	125	29.3 Å²	29.3	58%	0.584	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.4	179.5	-59.5	-167.3	3.7	0	0	112.7	F649 D650 K651	F649-Q653 VanDerWaalsContact CD2-C 3.43Å; F649-Q653 WeakPolarHBondContact CD2-O 3.35Å; D650-Q653 PolarHBondContact N-O 2.78Å; D650-Q653 VanDerWaalsContact N-O 3.14Å; D650-Q653 PolarHBondContact O-N 3.18Å; K651-Q653 VanDerWaalsContact C-N 3.32Å; K651-Q653 PolarHBondContact O-N 2.02Å
654	W	81.2	Confident	79.6	Confident	40 Å²	40	30.1 Å²	30.1	15%	0.152	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.7	169.4	-72.8	97.3	0	0	0	110.1	N575 N632 K634 E647 F649	N575-W654 PolarHBondContact OD1-NE1 3.07Å; N632-W654 WeakPolarHBondContact O-CZ3 3.24Å; K634-W654 HydrophobicContact CB-CH2 4.24Å; K634-W654 HydrophobicContact CB-CZ3 4.21Å; K634-W654 HydrophobicContact CD-CD2 4.06Å; K634-W654 HydrophobicContact CD-CE3 3.94Å; K634-W654 HydrophobicContact CD-CH2 4.07Å; K634-W654 HydrophobicContact CD-CZ2 4.2Å; K634-W654 HydrophobicContact CD-CZ3 3.94Å; K634-W654 HydrophobicContact CG-CE3 3.97Å; K634-W654 HydrophobicContact CG-CH2 4.04Å; K634-W654 HydrophobicContact CG-CZ3 3.66Å; E647-W654 HydrophobicContact CB-CE3 4Å; E647-W654 WeakPolarHBondContact O-CZ3 3.16Å; F649-W654 HydrophobicContact CB-CD2 3.87Å; F649-W654 HydrophobicContact CB-CE3 3.79Å; F649-W654 HydrophobicContact CB-CH2 3.8Å; F649-W654 HydrophobicContact CB-CZ2 3.85Å; F649-W654 HydrophobicContact CB-CZ3 3.76Å; F649-W654 AromaticContact CD2-CD1 3.64Å; F649-W654 AromaticContact CD2-CD2 3.84Å; F649-W654 HydrophobicContact CD2-CD2 3.84Å; F649-W654 AromaticContact CD2-CE2 3.68Å; F649-W654 AromaticContact CD2-CG 3.82Å; F649-W654 HydrophobicContact CD2-CG 3.82Å; F649-W654 HydrophobicContact CD2-CZ2 4.3Å; F649-W654 AromaticContact CD2-NE1 3.55Å; F649-W654 HydrophobicContact CG-CD2 4.33Å; F649-W654 HydrophobicContact CG-CZ2 4.3Å
655	G	82.9	Confident	79.1	Confident	2 Å²	2	30.4 Å²	30.4	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160.5	175.3	0	0	0	0	0	112.4	E647 F648 Q694 W696	E647-G655 WeakPolarHBondContact CA-O 3.44Å; F648-G655 PolarHBondContact N-O 3.5Å; F648-G655 PolarHBondContact O-N 2.84Å; G655-Q694 CarbonylContact C-O 3.43Å; G655-Q694 WeakPolarHBondContact CA-O 3.3Å; G655-W696 VanDerWaalsContact CA-NE1 3.34Å
656	T	85.1	Confident	79	Confident	3 Å²	3	30 Å²	30	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.3	175.3	55.2	0	0	0	0	110.5	E647 Q694 T695 W696 K727	E647-T656 HydrophobicContact CG-CG2 4.43Å; T656-Q694 PolarHBondContact N-O 2.7Å; T656-T695 CarbonylContact O-C 3.57Å; T656-T695 WeakPolarHBondContact O-CA 3.27Å; T656-T695 WeakPolarHBondContact O-CG2 3.1Å; T656-T695 PolarHBondContact OG1-OG1 3.47Å; T656-W696 PolarHBondContact O-N 3.4Å; T656-K727 WeakPolarHBondContact OG1-CE 3.27Å; T656-K727 PolarHBondContact OG1-NZ 3.41Å
657	V	85.9	Confident	78.9	Confident	3 Å²	3	30 Å²	30	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.1	178.4	177.9	0	0	0	0	110.5	V646 F648 G659 W662 I700 A728	V646-V657 HydrophobicContact CG1-CG2 4.09Å; V646-V657 PolarHBondContact O-N 3.15Å; F648-V657 HydrophobicContact CB-CG2 3.7Å; V657-G659 PolarHBondContact O-N 2.78Å; V657-W662 HydrophobicContact CG1-CE3 3.81Å; V657-W662 HydrophobicContact CG1-CZ3 3.94Å; V657-I700 HydrophobicContact CG1-CD1 3.88Å; V657-I700 HydrophobicContact CG2-CD1 4.23Å; V657-A728 HydrophobicContact CB-CB 3.88Å; V657-A728 HydrophobicContact CG1-CB 3.93Å; V657-A728 PolarHBondContact O-N 2.85Å
658	C	81.2	Confident	78.6	Confident	2 Å²	2	31 Å²	31	1%	0.014	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-64.5	130.2	177.2	-173.5	0	0	0	0	111.4	W696 Y717 C722	C658-W696 WeakPolarHBondContact CB-O 3.24Å; C658-W696 PolarHBondContact N-O 3.34Å; C658-Y717 HydrophobicContact CB-CE2 4.24Å; C658-Y717 PolarHBondContact SG-OH 3.34Å; C658-Y717 VanDerWaalsContact SG-OH 3.37Å; C658-C722 HydrophobicContact CB-CB 4.01Å; C658-C722 WeakPolarHBondContact CB-SG 3.24Å; C658-C722 WeakPolarHBondContact SG-CB 3.42Å; C658-C722 CovalentContact SG-SG 2.03Å; C658-C722 PolarHBondContact SG-SG 3.45Å
659	G	76.1	Confident	78.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.4	-179.5	0	0	0	0	0	115.1	V657 K684 A726	V657-G659 PolarHBondContact O-N 2.78Å; G659-K684 WeakPolarHBondContact O-CD 3.46Å; G659-K684 WeakPolarHBondContact O-CE 3.38Å; G659-K684 PolarHBondContact O-NZ 3.08Å; G659-A726 PolarHBondContact N-O 3.25Å
660	E	75.6	Confident	79.3	Confident	83 Å²	83	28.8 Å²	28.8	39%	0.388	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-53.7	-174.1	-73	-172.9	-162.6	0	0	112.7	K684 Y717 N723	E660-K684 PolarHBondContact O-NZ 3.14Å; E660-Y717 HydrophobicContact CB-CE1 4.42Å; E660-N723 WeakPolarHBondContact OE1-CA 3.42Å; E660-N723 WeakPolarHBondContact OE1-CB 3.3Å; E660-N723 PolarHBondContact OE1-N 3.44Å
661	S	72.2	Confident	80.2	Confident	26 Å²	26	26.7 Å²	26.7	18%	0.182	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.2	175.4	44.7	0	0	0	0	114.5	D663 Y717	S661-D663 PolarHBondContact O-N 2.83Å; S661-Y717 WeakPolarHBondContact CB-OH 3.37Å; S661-Y717 PolarHBondContact N-OH 2.01Å; S661-Y717 PolarHBondContact OG-OH 3.42Å
662	W	80.9	Confident	81.3	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.008	12%	0.123	C	C	.	.			trans	-57.4	120.7	-176.4	-170.4	-107.6	0	0	0	112.8	V646 V657 D666 A667 V670 K684 L709 A728 G729	V646-W662 HydrophobicContact CG1-CH2 4.12Å; V646-W662 HydrophobicContact CG2-CH2 4.22Å; V646-W662 HydrophobicContact CG2-CZ2 3.77Å; V657-W662 HydrophobicContact CG1-CE3 3.81Å; V657-W662 HydrophobicContact CG1-CZ3 3.94Å; W662-D666 WeakPolarHBondContact CA-OD2 3.3Å; W662-D666 HydrophobicContact CD2-CB 3.98Å; W662-D666 HydrophobicContact CE3-CB 3.56Å; W662-D666 HydrophobicContact CH2-CB 3.65Å; W662-D666 HydrophobicContact CZ2-CB 4.07Å; W662-D666 HydrophobicContact CZ3-CB 3.4Å; W662-D666 VanDerWaalsContact CZ3-CB 3.4Å; W662-A667 HydrophobicContact CZ2-CB 4.07Å; W662-V670 HydrophobicContact CH2-CG2 3.59Å; W662-V670 HydrophobicContact CZ2-CG2 4.12Å; W662-K684 WeakPolarHBondContact O-CE 3.33Å; W662-K684 PolarHBondContact O-NZ 3.4Å; W662-L709 HydrophobicContact CH2-CD1 4.29Å; W662-L709 HydrophobicContact CZ3-CD1 4.35Å; W662-A728 HydrophobicContact CB-CB 3.97Å; W662-A728 HydrophobicContact CD2-CB 3.43Å; W662-A728 VanDerWaalsContact CD2-CB 3.43Å; W662-A728 HydrophobicContact CE3-CB 3.83Å; W662-A728 HydrophobicContact CG-CB 3.47Å; W662-A728 VanDerWaalsContact CG-CB 3.47Å; W662-G729 PolarHBondContact NE1-O 2.92Å
663	D	74.9	Confident	82.4	Confident	14 Å²	14	23.7 Å²	23.7	8%	0.075	11%	0.112	C	C	.	.			trans	-125.6	-173.8	-179.6	74.6	23.4	0	0	0	113.4	S661 N665 D666 A667 I682	S661-D663 PolarHBondContact O-N 2.83Å; D663-N665 VanDerWaalsContact C-N 3.34Å; D663-N665 WeakPolarHBondContact OD1-CA 3.36Å; D663-N665 VanDerWaalsContact OD1-CB 3.3Å; D663-N665 WeakPolarHBondContact OD1-CB 3.36Å; D663-N665 PolarHBondContact OD1-N 2.64Å; D663-D666 PolarHBondContact N-OD2 3.35Å; D663-D666 PolarHBondContact OD1-N 3.45Å; D663-A667 WeakPolarHBondContact O-CB 3.28Å; D663-A667 PolarHBondContact O-N 3.2Å; D663-A667 VanDerWaalsContact O-N 3.17Å; D663-I682 WeakPolarHBondContact O-CG2 3.23Å
664	I	77.9	Confident	83	Confident	20 Å²	20	18 Å²	18	10%	0.103	9%	0.085	C	C	.	.	H	α-helix	trans	-73.5	-24.5	-177.9	-160.4	66.4	0	0	0	112.8	T668 A679 I682 P912	I664-T668 VanDerWaalsContact O-CB 3.27Å; I664-T668 WeakPolarHBondContact O-CB 3.27Å; I664-T668 PolarHBondContact O-N 3Å; I664-T668 PolarHBondContact O-OG1 3.41Å; I664-A679 HydrophobicContact CD1-CB 3.66Å; I664-A679 HydrophobicContact CG1-CB 4.31Å; I664-I682 HydrophobicContact CD1-CG2 3.98Å; I664-P912 HydrophobicContact CG2-CB 4.28Å
665	N	78.4	Confident	83.2	Confident	6 Å²	6	20.8 Å²	20.8	3%	0.032	10%	0.103	C	C	.	.	H	α-helix	trans	-72.3	-45.5	176.2	-70.5	-22	0	0	0	109.8	D663 A667 T668 V669 C702 G936 N938	D663-N665 VanDerWaalsContact C-N 3.34Å; D663-N665 WeakPolarHBondContact OD1-CA 3.36Å; D663-N665 VanDerWaalsContact OD1-CB 3.3Å; D663-N665 WeakPolarHBondContact OD1-CB 3.36Å; D663-N665 PolarHBondContact OD1-N 2.64Å; N665-A667 VanDerWaalsContact C-N 3.31Å; N665-A667 PolarHBondContact O-N 2.82Å; N665-T668 WeakPolarHBondContact O-CB 3.33Å; N665-T668 PolarHBondContact O-N 3.1Å; N665-T668 VanDerWaalsContact O-N 3.1Å; N665-V669 PolarHBondContact O-N 3.32Å; N665-C702 HydrophobicContact CB-CB 4.49Å; N665-C702 VanDerWaalsContact CB-O 3.24Å; N665-C702 WeakPolarHBondContact CB-O 3.39Å; N665-G936 PolarHBondContact OD1-O 3.27Å; N665-N938 PolarHBondContact ND2-ND2 3.18Å; N665-N938 PolarHBondContact ND2-O 3.03Å; N665-N938 PolarHBondContact ND2-OD1 3.14Å; N665-N938 PolarHBondContact OD1-ND2 2.92Å
666	D	86.6	Confident	83.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.6	-46.1	174.3	-53.7	-39.4	0	0	0	111.2	W662 D663 T668 V669 V670 C702	W662-D666 WeakPolarHBondContact CA-OD2 3.3Å; W662-D666 HydrophobicContact CD2-CB 3.98Å; W662-D666 HydrophobicContact CE3-CB 3.56Å; W662-D666 HydrophobicContact CH2-CB 3.65Å; W662-D666 HydrophobicContact CZ2-CB 4.07Å; W662-D666 HydrophobicContact CZ3-CB 3.4Å; W662-D666 VanDerWaalsContact CZ3-CB 3.4Å; D663-D666 PolarHBondContact N-OD2 3.35Å; D663-D666 PolarHBondContact OD1-N 3.45Å; D666-T668 VanDerWaalsContact C-N 3.29Å; D666-T668 PolarHBondContact O-N 2.88Å; D666-V669 PolarHBondContact O-N 3.28Å; D666-V670 PolarHBondContact O-N 3.36Å; D666-V670 VanDerWaalsContact O-N 3.09Å; D666-C702 VanDerWaalsContact OD1-CB 3.28Å; D666-C702 WeakPolarHBondContact OD1-CB 2.98Å; D666-C702 PolarHBondContact OD1-N 2.88Å; D666-C702 PolarHBondContact OD1-SG 3.28Å; D666-C702 VanDerWaalsContact OD1-SG 3.33Å
667	A	87.3	Confident	83.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-35.9	176.5	0	0	0	0	0	112.5	W662 D663 N665 V670 C671 A679 I682 V730	W662-A667 HydrophobicContact CZ2-CB 4.07Å; D663-A667 WeakPolarHBondContact O-CB 3.28Å; D663-A667 PolarHBondContact O-N 3.2Å; D663-A667 VanDerWaalsContact O-N 3.17Å; N665-A667 VanDerWaalsContact C-N 3.31Å; N665-A667 PolarHBondContact O-N 2.82Å; A667-V670 PolarHBondContact O-N 3.1Å; A667-C671 WeakPolarHBondContact O-CB 3.31Å; A667-C671 PolarHBondContact O-N 3.2Å; A667-C671 PolarHBondContact O-SG 3.16Å; A667-A679 HydrophobicContact CB-CB 3.7Å; A667-I682 HydrophobicContact CB-CG2 3.52Å; A667-V730 HydrophobicContact CB-CB 4.31Å; A667-V730 HydrophobicContact CB-CG2 3.71Å
668	T	83.7	Confident	82.9	Confident	37 Å²	37	31 Å²	31	23%	0.227	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-41.6	177.5	-67.3	0	0	0	0	111	I664 N665 D666 C671 R672	I664-T668 VanDerWaalsContact O-CB 3.27Å; I664-T668 WeakPolarHBondContact O-CB 3.27Å; I664-T668 PolarHBondContact O-N 3Å; I664-T668 PolarHBondContact O-OG1 3.41Å; N665-T668 WeakPolarHBondContact O-CB 3.33Å; N665-T668 PolarHBondContact O-N 3.1Å; N665-T668 VanDerWaalsContact O-N 3.1Å; D666-T668 VanDerWaalsContact C-N 3.29Å; D666-T668 PolarHBondContact O-N 2.88Å; T668-C671 PolarHBondContact O-N 3.03Å; T668-R672 VanDerWaalsContact O-CB 3.31Å; T668-R672 WeakPolarHBondContact O-CB 3.28Å; T668-R672 PolarHBondContact O-N 2.63Å
669	V	88.8	Confident	83	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-46.7	173.6	174.4	0	0	0	0	110.5	N665 D666 R672 Q673 C702 E706 T708 L709	N665-V669 PolarHBondContact O-N 3.32Å; D666-V669 PolarHBondContact O-N 3.28Å; V669-R672 PolarHBondContact O-N 3.27Å; V669-Q673 VanDerWaalsContact O-CB 3.28Å; V669-Q673 WeakPolarHBondContact O-CB 3.46Å; V669-Q673 PolarHBondContact O-N 3.4Å; V669-C702 HydrophobicContact CG2-CB 3.86Å; V669-E706 HydrophobicContact CG1-CB 4.25Å; V669-E706 WeakPolarHBondContact CG1-O 3.15Å; V669-E706 HydrophobicContact CG2-CB 3.98Å; V669-E706 WeakPolarHBondContact CG2-O 3.35Å; V669-T708 VanDerWaalsContact CG1-C 3.46Å; V669-L709 HydrophobicContact CB-CD1 4.45Å; V669-L709 HydrophobicContact CG1-CB 4.47Å; V669-L709 HydrophobicContact CG1-CD1 4.23Å
670	V	90.9	Very high	83.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-50.1	177.2	169.1	0	0	0	0	112.4	V633 L635 V646 W662 D666 A667 R672 Q673 L674 L709 V730	V633-V670 HydrophobicContact CG1-CB 4.43Å; V633-V670 HydrophobicContact CG1-CG1 3.79Å; V633-V670 HydrophobicContact CG1-CG2 4.02Å; L635-V670 HydrophobicContact CD2-CG1 4.07Å; V646-V670 HydrophobicContact CG1-CG2 4.22Å; V646-V670 HydrophobicContact CG2-CG1 4.45Å; W662-V670 HydrophobicContact CH2-CG2 3.59Å; W662-V670 HydrophobicContact CZ2-CG2 4.12Å; D666-V670 PolarHBondContact O-N 3.36Å; D666-V670 VanDerWaalsContact O-N 3.09Å; A667-V670 PolarHBondContact O-N 3.1Å; V670-R672 VanDerWaalsContact C-N 3.27Å; V670-R672 PolarHBondContact O-N 3.4Å; V670-Q673 PolarHBondContact O-N 3.5Å; V670-L674 HydrophobicContact CG1-CD1 3.62Å; V670-L674 WeakPolarHBondContact O-CB 3.39Å; V670-L674 WeakPolarHBondContact O-CD1 3.3Å; V670-L674 WeakPolarHBondContact O-CG 3.4Å; V670-L674 PolarHBondContact O-N 3.45Å; V670-L709 HydrophobicContact CG2-CD1 3.87Å; V670-L709 HydrophobicContact CG2-CD2 4.05Å; V670-L709 HydrophobicContact CG2-CG 4.46Å; V670-V730 HydrophobicContact CG1-CG1 4.02Å
671	C	89.4	Confident	83.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-38.4	-179.9	-69.8	0	0	0	0	111.9	A667 T668 N675 C676 D677 V730 C732	A667-C671 WeakPolarHBondContact O-CB 3.31Å; A667-C671 PolarHBondContact O-N 3.2Å; A667-C671 PolarHBondContact O-SG 3.16Å; T668-C671 PolarHBondContact O-N 3.03Å; C671-N675 PolarHBondContact O-N 3.21Å; C671-C676 WeakPolarHBondContact O-CA 3.48Å; C671-C676 WeakPolarHBondContact O-CB 3.31Å; C671-C676 PolarHBondContact O-N 3.43Å; C671-D677 CarbonylContact C-O 3.58Å; C671-D677 WeakPolarHBondContact CB-O 3.45Å; C671-V730 WeakPolarHBondContact SG-CG2 3.38Å; C671-C732 WeakPolarHBondContact CA-SG 3.06Å; C671-C732 HydrophobicContact CB-CB 3.71Å; C671-C732 WeakPolarHBondContact CB-SG 3.23Å; C671-C732 VanDerWaalsContact SG-CA 3.53Å; C671-C732 WeakPolarHBondContact SG-CB 3.04Å; C671-C732 CovalentContact SG-SG 2.03Å; C671-C732 PolarHBondContact SG-SG 3.38Å
672	R	87.6	Confident	83.6	Confident	115 Å²	115	30.5 Å²	30.5	43%	0.434	14%	0.142	S	C	.	.	H	α-helix	trans	-69.6	-44.6	176.1	-176	168	60.3	154.6	-6.7	112.4	T668 V669 V670 L674 N675 R705 E706	T668-R672 VanDerWaalsContact O-CB 3.31Å; T668-R672 WeakPolarHBondContact O-CB 3.28Å; T668-R672 PolarHBondContact O-N 2.63Å; V669-R672 PolarHBondContact O-N 3.27Å; V670-R672 VanDerWaalsContact C-N 3.27Å; V670-R672 PolarHBondContact O-N 3.4Å; R672-L674 PolarHBondContact O-N 3.34Å; R672-N675 PolarHBondContact O-N 3.36Å; R672-R705 PolarHBondContact NH2-O 2.79Å; R672-E706 PolarHBondContact NH2-O 3.34Å
673	Q	89.7	Confident	83.3	Confident	20 Å²	20	31.1 Å²	31.1	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-33.5	177.6	-176.2	174.2	-6.8	0	0	111.7	S630 N632 V669 V670 N675 T708	S630-Q673 PolarHBondContact O-NE2 3.23Å; N632-Q673 PolarHBondContact OD1-NE2 3.13Å; V669-Q673 VanDerWaalsContact O-CB 3.28Å; V669-Q673 WeakPolarHBondContact O-CB 3.46Å; V669-Q673 PolarHBondContact O-N 3.4Å; V670-Q673 PolarHBondContact O-N 3.5Å; Q673-N675 VanDerWaalsContact C-N 3.32Å; Q673-T708 HydrophobicContact CG-CG2 4.35Å; Q673-T708 VanDerWaalsContact OE1-CA 3.3Å
674	L	86.9	Confident	83	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.026	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.4	176.5	-66	165	0	0	0	114.1	D578 L635 V670 R672 C676	D578-L674 HydrophobicContact CB-CD2 4.1Å; L635-L674 HydrophobicContact CD1-CD1 3.57Å; L635-L674 HydrophobicContact CD2-CD1 4.14Å; L635-L674 HydrophobicContact CG-CD1 3.47Å; L635-L674 VanDerWaalsContact CG-CD1 3.47Å; V670-L674 HydrophobicContact CG1-CD1 3.62Å; V670-L674 WeakPolarHBondContact O-CB 3.39Å; V670-L674 WeakPolarHBondContact O-CD1 3.3Å; V670-L674 WeakPolarHBondContact O-CG 3.4Å; V670-L674 PolarHBondContact O-N 3.45Å; R672-L674 PolarHBondContact O-N 3.34Å; L674-C676 VanDerWaalsContact C-N 3.25Å; L674-C676 HydrophobicContact CB-CB 4.32Å; L674-C676 PolarHBondContact O-N 3.4Å
675	N	85.9	Confident	82.4	Confident	99 Å²	99	39.5 Å²	39.5	53%	0.529	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	44.8	-171.3	-168.8	38.6	0	0	0	112.5	V580 C671 R672 Q673	V580-N675 HydrophobicContact CG1-CB 3.48Å; V580-N675 VanDerWaalsContact CG1-CB 3.48Å; C671-N675 PolarHBondContact O-N 3.21Å; R672-N675 PolarHBondContact O-N 3.36Å; Q673-N675 VanDerWaalsContact C-N 3.32Å
676	C	84.6	Confident	81.2	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.007	21%	0.208	C	C	.	.			trans	-107.5	23.9	179.3	-72.6	0	0	0	0	112	C642 C671 L674 C732 G734	C642-C676 WeakPolarHBondContact CA-SG 3.03Å; C642-C676 HydrophobicContact CB-CB 3.51Å; C642-C676 WeakPolarHBondContact CB-SG 3.45Å; C642-C676 WeakPolarHBondContact SG-CB 3.19Å; C642-C676 CovalentContact SG-SG 2.03Å; C642-C676 PolarHBondContact SG-SG 2.95Å; C671-C676 WeakPolarHBondContact O-CA 3.48Å; C671-C676 WeakPolarHBondContact O-CB 3.31Å; C671-C676 PolarHBondContact O-N 3.43Å; L674-C676 VanDerWaalsContact C-N 3.25Å; L674-C676 HydrophobicContact CB-CB 4.32Å; L674-C676 PolarHBondContact O-N 3.4Å; C676-C732 HydrophobicContact CB-CB 3.6Å; C676-C732 VanDerWaalsContact O-CB 3.22Å; C676-C732 WeakPolarHBondContact O-CB 3.1Å; C676-G734 WeakPolarHBondContact O-CA 3.48Å; C676-G734 PolarHBondContact O-N 3.47Å
677	D	82	Confident	79.9	Confident	79 Å²	79	50 Å²	50	42%	0.422	24%	0.24	S	C	.	.			trans	61.1	-130	-174.4	-62.7	-40.9	0	0	0	112.6	C671 T733	C671-D677 CarbonylContact C-O 3.58Å; C671-D677 WeakPolarHBondContact CB-O 3.45Å; D677-T733 WeakPolarHBondContact CB-OG1 3.37Å
678	R	81.3	Confident	78.8	Confident	143 Å²	143	50.9 Å²	50.9	54%	0.54	24%	0.243	S	C	.	.	S	Bend	trans	-97	159.9	-174.5	-64	-178.9	179.4	-169.8	-7.8	111.5	H680 C732 T733 E746	R678-H680 PolarHBondContact O-N 2.79Å; R678-C732 CarbonylContact O-C 3.53Å; R678-C732 VanDerWaalsContact O-CA 3.31Å; R678-C732 WeakPolarHBondContact O-CA 3.27Å; R678-T733 HydrophobicContact CB-CG2 4.36Å; R678-T733 PolarHBondContact N-OG1 3.1Å; R678-T733 VanDerWaalsContact N-OG1 3.11Å; R678-T733 PolarHBondContact O-N 3.41Å; R678-T733 PolarHBondContact O-OG1 3.04Å; R678-E746 IonicContact NH1-OE1 3.9Å
679	A	81.9	Confident	78	Confident	11 Å²	11	50.7 Å²	50.7	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.6	168.6	0	0	0	0	0	109.9	I664 A667 V730	I664-A679 HydrophobicContact CD1-CB 3.66Å; I664-A679 HydrophobicContact CG1-CB 4.31Å; A667-A679 HydrophobicContact CB-CB 3.7Å; A679-V730 HydrophobicContact CB-CG2 4.31Å
680	H	78	Confident	76.9	Confident	25 Å²	25	55.5 Å²	55.5	12%	0.116	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-43.8	175.4	178	66	0	0	0	110.9	R678 I731 T733 L736	R678-H680 PolarHBondContact O-N 2.79Å; H680-I731 WeakPolarHBondContact CA-O 3.45Å; H680-I731 VanDerWaalsContact CB-O 3.29Å; H680-I731 WeakPolarHBondContact CB-O 3.49Å; H680-I731 PolarHBondContact N-O 2.85Å; H680-T733 HydrophobicContact CB-CG2 3.89Å; H680-L736 HydrophobicContact CB-CD1 4.41Å
681	K	78.3	Confident	75.6	Confident	58 Å²	58	57 Å²	57	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	138.9	-176.5	-174.1	170.3	-174.6	156.7	0	111.4	I731 E780	K681-I731 HydrophobicContact CB-CB 4.33Å; K681-I731 PolarHBondContact N-O 3.02Å; K681-I731 PolarHBondContact O-N 3.33Å; K681-E780 IonicContact NZ-OE1 3.99Å; K681-E780 PolarHBondContact NZ-OE1 2.96Å; K681-E780 IonicContact NZ-OE2 2.72Å; K681-E780 PolarHBondContact NZ-OE2 3.35Å
682	I	81.3	Confident	74	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.6	167.7	63.1	177.2	0	0	0	110.4	D663 I664 A667 Q871	D663-I682 WeakPolarHBondContact O-CG2 3.23Å; I664-I682 HydrophobicContact CD1-CG2 3.98Å; A667-I682 HydrophobicContact CB-CG2 3.52Å; I682-Q871 PolarHBondContact O-NE2 3.03Å
683	T	74.8	Confident	72.9	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.098	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135	174.4	63.5	0	0	0	0	109.5	G729 I731	T683-G729 PolarHBondContact N-O 2.87Å; T683-G729 PolarHBondContact O-N 3.23Å; T683-G729 VanDerWaalsContact OG1-C 3.3Å; T683-G729 VanDerWaalsContact OG1-CA 3.29Å; T683-G729 WeakPolarHBondContact OG1-CA 3.4Å; T683-I731 HydrophobicContact CG2-CD1 4.19Å; T683-I731 HydrophobicContact CG2-CG1 4.31Å
684	K	68.9	Low	72	Confident	67 Å²	67	64.6 Å²	64.6	29%	0.291	36%	0.358	S	S	.	.			trans	-127.6	62.3	179.4	-64.2	-176.9	179.5	-156	0	109.1	G659 E660 W662	G659-K684 WeakPolarHBondContact O-CD 3.46Å; G659-K684 WeakPolarHBondContact O-CE 3.38Å; G659-K684 PolarHBondContact O-NZ 3.08Å; E660-K684 PolarHBondContact O-NZ 3.14Å; W662-K684 WeakPolarHBondContact O-CE 3.33Å; W662-K684 PolarHBondContact O-NZ 3.4Å
685	M	64.4	Low	71.4	Confident	142 Å²	142	65.3 Å²	65.3	70%	0.7	36%	0.363	S	S	*	.	S	Bend	trans	-175.3	171.5	172.8	-112.4	-175.3	-75.2	0	0	113.8	E687	M685-E687 PolarHBondContact O-N 3.37Å
686	T	52.5	Low	70.8	Confident	84 Å²	84	61.8 Å²	61.8	52%	0.515	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-59.7	10.4	-170.5	54.2	0	0	0	0	118.3	Y688 G689 L690	T686-Y688 VanDerWaalsContact C-N 3.26Å; T686-Y688 PolarHBondContact O-N 3.1Å; T686-G689 PolarHBondContact O-N 3.47Å; T686-L690 HydrophobicContact CG2-CD2 3.89Å; T686-L690 HydrophobicContact CG2-CG 4.46Å
687	E	60.6	Low	69.8	Low	143 Å²	143	64.3 Å²	64.3	67%	0.668	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.2	-39.4	-176	-174	176	174.1	0	0	112.1	M685 G689	M685-E687 PolarHBondContact O-N 3.37Å; E687-G689 VanDerWaalsContact C-N 3.35Å
688	Y	64.1	Low	69.2	Low	19 Å²	19	62.5 Å²	62.5	8%	0.075	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-94.4	12.4	174.9	-54.1	-47.6	0	0	0	112.1	D637 G644 R645 T686	D637-Y688 WeakPolarHBondContact CB-O 3.47Å; D637-Y688 WeakPolarHBondContact O-CD1 3.29Å; G644-Y688 VanDerWaalsContact CA-CD2 3.47Å; R645-Y688 PolarHBondContact NH1-O 2.8Å; T686-Y688 VanDerWaalsContact C-N 3.26Å; T686-Y688 PolarHBondContact O-N 3.1Å
689	G	65.9	Low	68.8	Low	33 Å²	33	57.5 Å²	57.5	34%	0.34	33%	0.328	S	S	.	.			trans	82.4	167.7	-178.9	0	0	0	0	0	114.7	R645 T686 E687 G691	R645-G689 PolarHBondContact NH1-O 2.69Å; R645-G689 VanDerWaalsContact NH1-O 3.08Å; T686-G689 PolarHBondContact O-N 3.47Å; E687-G689 VanDerWaalsContact C-N 3.35Å; G689-G691 VanDerWaalsContact C-N 3.34Å; G689-G691 PolarHBondContact O-N 2.96Å
690	L	65.6	Low	68.7	Low	101 Å²	101	57.3 Å²	57.3	53%	0.529	33%	0.326	S	S	.	.			trans	-77	-17.2	-172.5	-70.2	167	0	0	0	114.1	T686	T686-L690 HydrophobicContact CG2-CD2 3.89Å; T686-L690 HydrophobicContact CG2-CG 4.46Å
691	G	63.1	Low	68.8	Low	32 Å²	32	58.8 Å²	58.8	33%	0.33	33%	0.332	S	S	.	.			trans	71.3	162	-168	0	0	0	0	0	113	G689	G689-G691 VanDerWaalsContact C-N 3.34Å; G689-G691 PolarHBondContact O-N 2.96Å
692	S	57.5	Low	69	Low	117 Å²	117	56.2 Å²	56.2	82%	0.818	32%	0.322	S	S	*	.	S	Bend	trans	-113	112.1	172.8	57.7	0	0	0	0	109.1
693	G	63.9	Low	68.6	Low	58 Å²	58	57.8 Å²	57.8	60%	0.598	33%	0.333	S	S	*	.	S	Bend	trans	148.1	-176.3	177.3	0	0	0	0	0	114.6
694	Q	70.7	Confident	68.5	Low	118 Å²	118	57.7 Å²	57.7	55%	0.551	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.3	148.4	173.5	-175.9	162.9	-15.1	0	0	110.4	G655 T656	G655-Q694 CarbonylContact C-O 3.43Å; G655-Q694 WeakPolarHBondContact CA-O 3.3Å; T656-Q694 PolarHBondContact N-O 2.7Å
695	T	73.4	Confident	68.9	Low	21 Å²	21	62.8 Å²	62.8	13%	0.129	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127	171.2	-48.8	0	0	0	0	107.9	T656 I697 K727	T656-T695 CarbonylContact O-C 3.57Å; T656-T695 WeakPolarHBondContact O-CA 3.27Å; T656-T695 WeakPolarHBondContact O-CG2 3.1Å; T656-T695 PolarHBondContact OG1-OG1 3.47Å; T695-I697 PolarHBondContact O-N 3.36Å; T695-K727 HydrophobicContact CG2-CD 4.39Å; T695-K727 PolarHBondContact OG1-NZ 2.88Å
696	W	74.9	Confident	69.9	Low	24 Å²	24	57.1 Å²	57.1	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.8	172.4	-59.2	122.9	0	0	0	108.7	F648 D650 G655 T656 C658	F648-W696 PolarHBondContact O-NE1 3.09Å; D650-W696 HydrophobicContact CB-CD2 4.49Å; D650-W696 HydrophobicContact CB-CH2 3.87Å; D650-W696 HydrophobicContact CB-CZ2 3.64Å; D650-W696 HydrophobicContact CB-CZ3 4.38Å; D650-W696 WeakPolarHBondContact O-CH2 3.44Å; D650-W696 WeakPolarHBondContact O-CZ2 3.37Å; G655-W696 VanDerWaalsContact CA-NE1 3.34Å; T656-W696 PolarHBondContact O-N 3.4Å; C658-W696 WeakPolarHBondContact CB-O 3.24Å; C658-W696 PolarHBondContact N-O 3.34Å
697	I	62.5	Low	71.4	Confident	55 Å²	55	56.1 Å²	56.1	28%	0.282	32%	0.321	S	S	.	.			trans	-105.3	18	-175.1	59.8	167.1	0	0	0	111.8	T695 Y717 R720 C722	T695-I697 PolarHBondContact O-N 3.36Å; I697-Y717 WeakPolarHBondContact O-CD2 3.42Å; I697-R720 HydrophobicContact CD1-CB 3.83Å; I697-R720 HydrophobicContact CD1-CG 4.06Å; I697-C722 HydrophobicContact CB-CB 4.48Å; I697-C722 HydrophobicContact CG2-CB 4Å
698	D	68.9	Low	72.5	Confident	40 Å²	40	51.3 Å²	51.3	21%	0.214	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.4	171.3	-60.9	-45.5	0	0	0	108.4	I700 Q714 P716	D698-I700 PolarHBondContact O-N 2.85Å; D698-Q714 HydrophobicContact CB-CB 4.39Å; D698-P716 VanDerWaalsContact OD1-CA 3.22Å; D698-P716 WeakPolarHBondContact OD1-CA 3.23Å; D698-P716 WeakPolarHBondContact OD1-CB 3.4Å
699	Q	73	Confident	73.4	Confident	39 Å²	39	50.4 Å²	50.4	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.7	170.5	-65.8	168.2	81.8	0	0	107.2	E701 Q714 R715 Y717	Q699-E701 HydrophobicContact CB-CG 4.23Å; Q699-Q714 CarbonylContact O-C 3.18Å; Q699-Q714 VanDerWaalsContact O-CA 3.31Å; Q699-Q714 WeakPolarHBondContact O-CA 3.36Å; Q699-R715 HydrophobicContact CB-CB 4.49Å; Q699-R715 WeakPolarHBondContact CB-O 3.5Å; Q699-R715 PolarHBondContact N-O 2.92Å; Q699-R715 PolarHBondContact O-N 3.3Å; Q699-Y717 HydrophobicContact CG-CD1 3.67Å; Q699-Y717 HydrophobicContact CG-CD2 4.22Å; Q699-Y717 HydrophobicContact CG-CE1 3.29Å; Q699-Y717 HydrophobicContact CG-CE2 3.85Å; Q699-Y717 HydrophobicContact CG-CG 4.11Å
700	I	81.4	Confident	74.2	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.9	168.2	-58.9	178.5	0	0	0	104.7	V657 D698 L709 C712	V657-I700 HydrophobicContact CG1-CD1 3.88Å; V657-I700 HydrophobicContact CG2-CD1 4.23Å; D698-I700 PolarHBondContact O-N 2.85Å; I700-L709 HydrophobicContact CD1-CD2 3.87Å; I700-L709 HydrophobicContact CD1-CG 4.12Å; I700-L709 HydrophobicContact CG2-CD1 3.89Å; I700-L709 HydrophobicContact CG2-CG 4.15Å; I700-C712 HydrophobicContact CG2-CB 3.73Å
701	E	79.4	Confident	75.1	Confident	56 Å²	56	52 Å²	52	26%	0.262	30%	0.301	S	S	.	.			trans	-120.9	76.4	-176	-65.8	178.3	169.1	0	0	108.8	Q699 P713 R715	Q699-E701 HydrophobicContact CB-CG 4.23Å; E701-P713 PolarHBondContact N-O 3.29Å; E701-P713 WeakPolarHBondContact O-CD 3.35Å; E701-R715 WeakPolarHBondContact OE2-CD 3.5Å; E701-R715 IonicContact OE2-NE 3.91Å; E701-R715 PolarHBondContact OE2-NE 2.03Å
702	C	82.3	Confident	76.1	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.034	29%	0.286	C	S	.	.			trans	-76.3	144.5	179.5	-60.1	0	0	0	0	112.2	N665 D666 V669 C712	N665-C702 HydrophobicContact CB-CB 4.49Å; N665-C702 VanDerWaalsContact CB-O 3.24Å; N665-C702 WeakPolarHBondContact CB-O 3.39Å; D666-C702 VanDerWaalsContact OD1-CB 3.28Å; D666-C702 WeakPolarHBondContact OD1-CB 2.98Å; D666-C702 PolarHBondContact OD1-N 2.88Å; D666-C702 PolarHBondContact OD1-SG 3.28Å; D666-C702 VanDerWaalsContact OD1-SG 3.33Å; V669-C702 HydrophobicContact CG2-CB 3.86Å; C702-C712 HydrophobicContact CB-CB 3.95Å; C702-C712 WeakPolarHBondContact CB-SG 3.3Å; C702-C712 WeakPolarHBondContact SG-CB 3.17Å; C702-C712 CovalentContact SG-SG 2.03Å; C702-C712 PolarHBondContact SG-SG 3.41Å
703	S	72.9	Confident	77.3	Confident	37 Å²	37	48.3 Å²	48.3	26%	0.259	27%	0.268	S	S	.	.			trans	-79	-7.7	166.2	68.2	0	0	0	0	113.3	R705 E706	S703-R705 VanDerWaalsContact C-N 3.26Å; S703-R705 PolarHBondContact O-N 3.36Å; S703-R705 PolarHBondContact OG-N 3.46Å; S703-E706 VanDerWaalsContact CB-OE1 3.31Å; S703-E706 WeakPolarHBondContact CB-OE1 3Å; S703-E706 VanDerWaalsContact N-CD 3.34Å; S703-E706 PolarHBondContact N-OE1 2.8Å; S703-E706 PolarHBondContact N-OE2 3.27Å; S703-E706 VanDerWaalsContact N-OE2 3.13Å; S703-E706 PolarHBondContact OG-OE1 3.11Å; S703-E706 PolarHBondContact OG-OE2 3Å
704	G	73.6	Confident	78.1	Confident	14 Å²	14	49.4 Å²	49.4	14%	0.144	26%	0.257	C	S	.	.	S	Bend	trans	85.2	-7.9	-176.1	0	0	0	0	0	113.8	E706	G704-E706 PolarHBondContact N-OE2 3.29Å
705	R	76.7	Confident	78.3	Confident	174 Å²	174	50.6 Å²	50.6	66%	0.657	26%	0.257	S	S	*	.			trans	-96.9	-8.5	-179.3	-64.9	-175	-178.8	171.3	4.9	113.7	R672 S703	R672-R705 PolarHBondContact NH2-O 2.79Å; S703-R705 VanDerWaalsContact C-N 3.26Å; S703-R705 PolarHBondContact O-N 3.36Å; S703-R705 PolarHBondContact OG-N 3.46Å
706	E	85.6	Confident	77.9	Confident	24 Å²	24	54 Å²	54	11%	0.112	28%	0.279	C	S	.	.			trans	-70.7	132.5	179.9	-61.5	81.6	-176	0	0	112.8	V669 R672 S703 G704 T708 Q711	V669-E706 HydrophobicContact CG1-CB 4.25Å; V669-E706 WeakPolarHBondContact CG1-O 3.15Å; V669-E706 HydrophobicContact CG2-CB 3.98Å; V669-E706 WeakPolarHBondContact CG2-O 3.35Å; R672-E706 PolarHBondContact NH2-O 3.34Å; S703-E706 VanDerWaalsContact CB-OE1 3.31Å; S703-E706 WeakPolarHBondContact CB-OE1 3Å; S703-E706 VanDerWaalsContact N-CD 3.34Å; S703-E706 PolarHBondContact N-OE1 2.8Å; S703-E706 PolarHBondContact N-OE2 3.27Å; S703-E706 VanDerWaalsContact N-OE2 3.13Å; S703-E706 PolarHBondContact OG-OE1 3.11Å; S703-E706 PolarHBondContact OG-OE2 3Å; G704-E706 PolarHBondContact N-OE2 3.29Å; E706-T708 VanDerWaalsContact C-N 3.31Å; E706-T708 PolarHBondContact O-N 2.53Å; E706-Q711 HydrophobicContact CB-CB 3.95Å; E706-Q711 HydrophobicContact CG-CB 3.98Å
707	S	82.5	Confident	77.5	Confident	62 Å²	62	54.1 Å²	54.1	43%	0.434	28%	0.28	S	S	.	.	S	Bend	trans	-71.8	-25.9	-178.5	61.3	0	0	0	0	113.4	Q711	S707-Q711 VanDerWaalsContact OG-CD 3.25Å; S707-Q711 PolarHBondContact OG-NE2 3.05Å; S707-Q711 PolarHBondContact OG-OE1 3.14Å
708	T	84.6	Confident	77.2	Confident	42 Å²	42	62.5 Å²	62.5	26%	0.258	31%	0.308	S	S	.	.	S	Bend	trans	-140.9	154.1	177.8	65.8	0	0	0	0	110.8	V669 Q673 E706 S710 Q711	V669-T708 VanDerWaalsContact CG1-C 3.46Å; Q673-T708 HydrophobicContact CG-CG2 4.35Å; Q673-T708 VanDerWaalsContact OE1-CA 3.3Å; E706-T708 VanDerWaalsContact C-N 3.31Å; E706-T708 PolarHBondContact O-N 2.53Å; T708-S710 PolarHBondContact O-N 3.34Å; T708-S710 VanDerWaalsContact O-N 3.13Å; T708-Q711 PolarHBondContact O-N 2.72Å; T708-Q711 VanDerWaalsContact O-N 3.1Å
709	L	84.1	Confident	76.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-63	-20.6	-177.5	-158.2	67.6	0	0	0	113.6	V633 F648 W662 V669 V670 I700 Q711 C712	V633-L709 HydrophobicContact CG2-CB 3.69Å; V633-L709 HydrophobicContact CG2-CD2 3.86Å; V633-L709 HydrophobicContact CG2-CG 4.43Å; F648-L709 HydrophobicContact CD2-CB 4.39Å; F648-L709 HydrophobicContact CD2-CD2 3.87Å; F648-L709 HydrophobicContact CE2-CB 4.2Å; F648-L709 HydrophobicContact CE2-CD2 4.39Å; F648-L709 HydrophobicContact CG-CD2 4.33Å; W662-L709 HydrophobicContact CH2-CD1 4.29Å; W662-L709 HydrophobicContact CZ3-CD1 4.35Å; V669-L709 HydrophobicContact CB-CD1 4.45Å; V669-L709 HydrophobicContact CG1-CB 4.47Å; V669-L709 HydrophobicContact CG1-CD1 4.23Å; V670-L709 HydrophobicContact CG2-CD1 3.87Å; V670-L709 HydrophobicContact CG2-CD2 4.05Å; V670-L709 HydrophobicContact CG2-CG 4.46Å; I700-L709 HydrophobicContact CD1-CD2 3.87Å; I700-L709 HydrophobicContact CD1-CG 4.12Å; I700-L709 HydrophobicContact CG2-CD1 3.89Å; I700-L709 HydrophobicContact CG2-CG 4.15Å; L709-Q711 VanDerWaalsContact C-N 3.34Å; L709-C712 WeakPolarHBondContact O-CB 3.39Å; L709-C712 PolarHBondContact O-N 3.34Å
710	S	82.1	Confident	75.7	Confident	60 Å²	60	75.3 Å²	75.3	42%	0.42	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-75.9	-18.6	176.6	-61	0	0	0	0	115	N632 T708	N632-S710 PolarHBondContact ND2-OG 2.88Å; T708-S710 PolarHBondContact O-N 3.34Å; T708-S710 VanDerWaalsContact O-N 3.13Å
711	Q	85.1	Confident	74.5	Confident	109 Å²	109	79.4 Å²	79.4	51%	0.509	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-78.4	-14.6	175.4	-69.4	170.7	-9.3	0	0	111.2	E706 S707 T708 L709	E706-Q711 HydrophobicContact CB-CB 3.95Å; E706-Q711 HydrophobicContact CG-CB 3.98Å; S707-Q711 VanDerWaalsContact OG-CD 3.25Å; S707-Q711 PolarHBondContact OG-NE2 3.05Å; S707-Q711 PolarHBondContact OG-OE1 3.14Å; T708-Q711 PolarHBondContact O-N 2.72Å; T708-Q711 VanDerWaalsContact O-N 3.1Å; L709-Q711 VanDerWaalsContact C-N 3.34Å
712	C	83.5	Confident	73.9	Confident	4 Å²	4	77.5 Å²	77.5	3%	0.027	38%	0.381	C	S	.	.	S	Bend	trans	-73.9	135.4	178.6	-55.4	0	0	0	0	110.6	I700 C702 L709 Q714	I700-C712 HydrophobicContact CG2-CB 3.73Å; C702-C712 HydrophobicContact CB-CB 3.95Å; C702-C712 WeakPolarHBondContact CB-SG 3.3Å; C702-C712 WeakPolarHBondContact SG-CB 3.17Å; C702-C712 CovalentContact SG-SG 2.03Å; C702-C712 PolarHBondContact SG-SG 3.41Å; L709-C712 WeakPolarHBondContact O-CB 3.39Å; L709-C712 PolarHBondContact O-N 3.34Å; C712-Q714 PolarHBondContact O-N 3.23Å
713	P	82.4	Confident	73.1	Confident	67 Å²	67	81 Å²	81	44%	0.435	40%	0.399	S	S	.	.			trans	-49.7	130.6	170.7	-28.1	33.3	0	0	0	112.3	E701	E701-P713 PolarHBondContact N-O 3.29Å; E701-P713 WeakPolarHBondContact O-CD 3.35Å
714	Q	81.3	Confident	72.7	Confident	80 Å²	80	83.6 Å²	83.6	37%	0.374	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122	176.6	-64.9	-173.3	-19.8	0	0	110.3	D698 Q699 C712	D698-Q714 HydrophobicContact CB-CB 4.39Å; Q699-Q714 CarbonylContact O-C 3.18Å; Q699-Q714 VanDerWaalsContact O-CA 3.31Å; Q699-Q714 WeakPolarHBondContact O-CA 3.36Å; C712-Q714 PolarHBondContact O-N 3.23Å
715	R	73.8	Confident	72.4	Confident	144 Å²	144	86.8 Å²	86.8	54%	0.543	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126	-179.9	-63.8	-173.1	-174.3	-132.5	-0.2	112	Q699 E701 Y717	Q699-R715 HydrophobicContact CB-CB 4.49Å; Q699-R715 WeakPolarHBondContact CB-O 3.5Å; Q699-R715 PolarHBondContact N-O 2.92Å; Q699-R715 PolarHBondContact O-N 3.3Å; E701-R715 WeakPolarHBondContact OE2-CD 3.5Å; E701-R715 IonicContact OE2-NE 3.91Å; E701-R715 PolarHBondContact OE2-NE 2.03Å; R715-Y717 PolarHBondContact O-N 3.39Å
716	P	66.3	Low	72.1	Confident	91 Å²	91	79.4 Å²	79.4	59%	0.591	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	139.7	175.1	22.7	-30.2	0	0	0	111.5	D698	D698-P716 VanDerWaalsContact OD1-CA 3.22Å; D698-P716 WeakPolarHBondContact OD1-CA 3.23Å; D698-P716 WeakPolarHBondContact OD1-CB 3.4Å
717	Y	65.1	Low	71.9	Confident	28 Å²	28	79 Å²	79	11%	0.11	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58.9	143.9	171.3	-71.2	-80	0	0	0	110.9	C658 E660 S661 I697 Q699 R715 D719 R720 C722	C658-Y717 HydrophobicContact CB-CE2 4.24Å; C658-Y717 PolarHBondContact SG-OH 3.34Å; C658-Y717 VanDerWaalsContact SG-OH 3.37Å; E660-Y717 HydrophobicContact CB-CE1 4.42Å; S661-Y717 WeakPolarHBondContact CB-OH 3.37Å; S661-Y717 PolarHBondContact N-OH 2.01Å; S661-Y717 PolarHBondContact OG-OH 3.42Å; I697-Y717 WeakPolarHBondContact O-CD2 3.42Å; Q699-Y717 HydrophobicContact CG-CD1 3.67Å; Q699-Y717 HydrophobicContact CG-CD2 4.22Å; Q699-Y717 HydrophobicContact CG-CE1 3.29Å; Q699-Y717 HydrophobicContact CG-CE2 3.85Å; Q699-Y717 HydrophobicContact CG-CG 4.11Å; R715-Y717 PolarHBondContact O-N 3.39Å; Y717-D719 PolarHBondContact O-N 3.34Å; Y717-D719 VanDerWaalsContact O-N 3.12Å; Y717-R720 PolarHBondContact O-N 3.05Å; Y717-R720 VanDerWaalsContact O-N 3.17Å; Y717-C722 HydrophobicContact CD2-CB 4.4Å; Y717-C722 HydrophobicContact CE2-CB 4.16Å
718	R	56.8	Low	72.2	Confident	231 Å²	231	76.1 Å²	76.1	87%	0.872	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-56.9	120.4	163.3	-73.3	-176.7	177.1	-177.7	-0.1	106.7
719	D	55.4	Low	72.3	Confident	147 Å²	147	74.2 Å²	74.2	79%	0.786	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	79.2	8.2	-178.7	-48	-37.5	0	0	0	118.5	Y717 T721	Y717-D719 PolarHBondContact O-N 3.34Å; Y717-D719 VanDerWaalsContact O-N 3.12Å; D719-T721 PolarHBondContact O-N 2.86Å; D719-T721 VanDerWaalsContact O-N 3.1Å
720	R	55.5	Low	72.5	Confident	201 Å²	201	74.2 Å²	74.2	76%	0.758	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	57.4	19	177.9	-65.3	-174.7	176.9	-179.7	-1.3	115.1	I697 Y717	I697-R720 HydrophobicContact CD1-CB 3.83Å; I697-R720 HydrophobicContact CD1-CG 4.06Å; Y717-R720 PolarHBondContact O-N 3.05Å; Y717-R720 VanDerWaalsContact O-N 3.17Å
721	T	56.3	Low	72.7	Confident	92 Å²	92	72.9 Å²	72.9	56%	0.564	36%	0.36	S	S	*	.			trans	-98.1	103	-179.5	51.3	0	0	0	0	110.9	D719	D719-T721 PolarHBondContact O-N 2.86Å; D719-T721 VanDerWaalsContact O-N 3.1Å
722	C	66.8	Low	72.8	Confident	16 Å²	16	67.7 Å²	67.7	11%	0.108	34%	0.336	C	S	.	.			trans	-101.1	136.2	159.1	168.1	0	0	0	0	108.4	C658 I697 Y717 T724	C658-C722 HydrophobicContact CB-CB 4.01Å; C658-C722 WeakPolarHBondContact CB-SG 3.24Å; C658-C722 WeakPolarHBondContact SG-CB 3.42Å; C658-C722 CovalentContact SG-SG 2.03Å; C658-C722 PolarHBondContact SG-SG 3.45Å; I697-C722 HydrophobicContact CB-CB 4.48Å; I697-C722 HydrophobicContact CG2-CB 4Å; Y717-C722 HydrophobicContact CD2-CB 4.4Å; Y717-C722 HydrophobicContact CE2-CB 4.16Å; C722-T724 PolarHBondContact O-N 3.07Å
723	N	66	Low	72.6	Confident	77 Å²	77	69 Å²	69	41%	0.412	34%	0.344	S	S	.	.			trans	-63.6	105.7	169.2	-177.3	-4.1	0	0	0	110.2	E660 T725 A726	E660-N723 WeakPolarHBondContact OE1-CA 3.42Å; E660-N723 WeakPolarHBondContact OE1-CB 3.3Å; E660-N723 PolarHBondContact OE1-N 3.44Å; N723-T725 VanDerWaalsContact CG-OG1 3.27Å; N723-T725 PolarHBondContact ND2-OG1 2.84Å; N723-T725 PolarHBondContact O-N 2.86Å; N723-T725 PolarHBondContact OD1-N 2.74Å; N723-T725 VanDerWaalsContact OD1-N 3.09Å; N723-T725 PolarHBondContact OD1-OG1 3.11Å; N723-A726 PolarHBondContact O-N 2.82Å
724	T	64	Low	72.4	Confident	93 Å²	93	66 Å²	66	57%	0.571	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-10	-176.7	55.3	0	0	0	0	114.2	C722 K727	C722-T724 PolarHBondContact O-N 3.07Å; T724-K727 WeakPolarHBondContact O-CE 3.43Å; T724-K727 PolarHBondContact O-NZ 2.97Å
725	T	66.7	Low	72.2	Confident	81 Å²	81	62.9 Å²	62.9	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-19.7	172.8	57.3	0	0	0	0	114.2	N723	N723-T725 VanDerWaalsContact CG-OG1 3.27Å; N723-T725 PolarHBondContact ND2-OG1 2.84Å; N723-T725 PolarHBondContact O-N 2.86Å; N723-T725 PolarHBondContact OD1-N 2.74Å; N723-T725 VanDerWaalsContact OD1-N 3.09Å; N723-T725 PolarHBondContact OD1-OG1 3.11Å
726	A	71.4	Confident	72.5	Confident	19 Å²	19	56.9 Å²	56.9	16%	0.157	29%	0.291	C	S	.	.			trans	-94.9	100	176.3	0	0	0	0	0	109.9	G659 N723	G659-A726 PolarHBondContact N-O 3.25Å; N723-A726 PolarHBondContact O-N 2.82Å
727	K	81.5	Confident	73.3	Confident	16 Å²	16	54.5 Å²	54.5	7%	0.07	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-101.1	142.7	174.4	-56.2	-52	-173	-166.3	0	110.7	R645 T656 T695 T724	R645-K727 HydrophobicContact CG-CB 4.44Å; T656-K727 WeakPolarHBondContact OG1-CE 3.27Å; T656-K727 PolarHBondContact OG1-NZ 3.41Å; T695-K727 HydrophobicContact CG2-CD 4.39Å; T695-K727 PolarHBondContact OG1-NZ 2.88Å; T724-K727 WeakPolarHBondContact O-CE 3.43Å; T724-K727 PolarHBondContact O-NZ 2.97Å
728	A	86.8	Confident	74.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.			trans	-68.7	131.8	173.1	0	0	0	0	0	111.2	V646 V657 W662	V646-A728 HydrophobicContact CB-CB 4.35Å; V646-A728 PolarHBondContact N-O 3.35Å; V657-A728 HydrophobicContact CB-CB 3.88Å; V657-A728 HydrophobicContact CG1-CB 3.93Å; V657-A728 PolarHBondContact O-N 2.85Å; W662-A728 HydrophobicContact CB-CB 3.97Å; W662-A728 HydrophobicContact CD2-CB 3.43Å; W662-A728 VanDerWaalsContact CD2-CB 3.43Å; W662-A728 HydrophobicContact CE3-CB 3.83Å; W662-A728 HydrophobicContact CG-CB 3.47Å; W662-A728 VanDerWaalsContact CG-CB 3.47Å
729	G	88	Confident	75.9	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.9	171.3	0	0	0	0	0	110.4	G644 W662 T683	G644-G729 VanDerWaalsContact O-CA 3.31Å; G644-G729 WeakPolarHBondContact O-CA 3.38Å; W662-G729 PolarHBondContact NE1-O 2.92Å; T683-G729 PolarHBondContact N-O 2.87Å; T683-G729 PolarHBondContact O-N 3.23Å; T683-G729 VanDerWaalsContact OG1-C 3.3Å; T683-G729 VanDerWaalsContact OG1-CA 3.29Å; T683-G729 WeakPolarHBondContact OG1-CA 3.4Å
730	V	88.3	Confident	77.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.1	-178.4	63.8	0	0	0	0	110.8	L635 A643 G644 V646 A667 V670 C671 A679	L635-V730 HydrophobicContact CD1-CG1 3.99Å; L635-V730 HydrophobicContact CD2-CG1 3.57Å; L635-V730 HydrophobicContact CG-CG1 4.46Å; A643-V730 CarbonylContact C-O 3.58Å; A643-V730 VanDerWaalsContact CA-O 3.29Å; A643-V730 WeakPolarHBondContact CA-O 3.46Å; G644-V730 PolarHBondContact N-O 3.15Å; G644-V730 PolarHBondContact O-N 3Å; V646-V730 HydrophobicContact CG2-CB 4.44Å; V646-V730 HydrophobicContact CG2-CG1 3.88Å; A667-V730 HydrophobicContact CB-CB 4.31Å; A667-V730 HydrophobicContact CB-CG2 3.71Å; V670-V730 HydrophobicContact CG1-CG1 4.02Å; C671-V730 WeakPolarHBondContact SG-CG2 3.38Å; A679-V730 HydrophobicContact CB-CG2 4.31Å
731	I	85.9	Confident	79.1	Confident	32 Å²	32	31.8 Å²	31.8	16%	0.164	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.9	164.6	-58.7	176.7	0	0	0	105.9	A643 H680 K681 T683 S735	A643-I731 HydrophobicContact CB-CG1 4.3Å; A643-I731 HydrophobicContact CB-CG2 4.42Å; H680-I731 WeakPolarHBondContact CA-O 3.45Å; H680-I731 VanDerWaalsContact CB-O 3.29Å; H680-I731 WeakPolarHBondContact CB-O 3.49Å; H680-I731 PolarHBondContact N-O 2.85Å; K681-I731 HydrophobicContact CB-CB 4.33Å; K681-I731 PolarHBondContact N-O 3.02Å; K681-I731 PolarHBondContact O-N 3.33Å; T683-I731 HydrophobicContact CG2-CD1 4.19Å; T683-I731 HydrophobicContact CG2-CG1 4.31Å; I731-S735 VanDerWaalsContact CG2-OG 3.27Å; I731-S735 WeakPolarHBondContact CG2-OG 3.22Å
732	C	87.3	Confident	80.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	155.7	176.9	-50	0	0	0	0	110.7	C642 C671 C676 R678 G734 S735	C642-C732 HydrophobicContact CB-CB 4.19Å; C642-C732 VanDerWaalsContact O-CB 3.31Å; C642-C732 WeakPolarHBondContact O-CB 3.46Å; C642-C732 PolarHBondContact O-N 3.36Å; C642-C732 PolarHBondContact O-SG 3.19Å; C642-C732 VanDerWaalsContact O-SG 3.39Å; C671-C732 WeakPolarHBondContact CA-SG 3.06Å; C671-C732 HydrophobicContact CB-CB 3.71Å; C671-C732 WeakPolarHBondContact CB-SG 3.23Å; C671-C732 VanDerWaalsContact SG-CA 3.53Å; C671-C732 WeakPolarHBondContact SG-CB 3.04Å; C671-C732 CovalentContact SG-SG 2.03Å; C671-C732 PolarHBondContact SG-SG 3.38Å; C676-C732 HydrophobicContact CB-CB 3.6Å; C676-C732 VanDerWaalsContact O-CB 3.22Å; C676-C732 WeakPolarHBondContact O-CB 3.1Å; R678-C732 CarbonylContact O-C 3.53Å; R678-C732 VanDerWaalsContact O-CA 3.31Å; R678-C732 WeakPolarHBondContact O-CA 3.27Å; C732-G734 PolarHBondContact O-N 3.16Å; C732-G734 VanDerWaalsContact O-N 3.16Å; C732-S735 WeakPolarHBondContact O-CB 3.45Å; C732-S735 PolarHBondContact O-N 2.85Å; C732-S735 PolarHBondContact O-OG 3.04Å
733	T	79.8	Confident	81	Confident	31 Å²	31	34.9 Å²	34.9	19%	0.19	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.1	-28.5	177.1	53.9	0	0	0	0	112	D677 R678 H680 S735 L736	D677-T733 WeakPolarHBondContact CB-OG1 3.37Å; R678-T733 HydrophobicContact CB-CG2 4.36Å; R678-T733 PolarHBondContact N-OG1 3.1Å; R678-T733 VanDerWaalsContact N-OG1 3.11Å; R678-T733 PolarHBondContact O-N 3.41Å; R678-T733 PolarHBondContact O-OG1 3.04Å; H680-T733 HydrophobicContact CB-CG2 3.89Å; T733-S735 PolarHBondContact O-N 2.83Å; T733-S735 VanDerWaalsContact O-N 3.13Å; T733-L736 HydrophobicContact CG2-CD1 4.24Å; T733-L736 WeakPolarHBondContact O-CB 3.17Å; T733-L736 PolarHBondContact O-N 3.25Å
734	G	77.1	Confident	81.1	Confident	5 Å²	5	40.8 Å²	40.8	5%	0.052	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67.1	-3.1	172.2	0	0	0	0	0	115.1	H640 C676 C732 R754	H640-G734 PolarHBondContact CE1-O 3.02Å; H640-G734 VanDerWaalsContact CE1-O 3.29Å; C676-G734 WeakPolarHBondContact O-CA 3.48Å; C676-G734 PolarHBondContact O-N 3.47Å; C732-G734 PolarHBondContact O-N 3.16Å; C732-G734 VanDerWaalsContact O-N 3.16Å; G734-R754 VanDerWaalsContact O-CZ 3.27Å; G734-R754 PolarHBondContact O-NH1 3.08Å; G734-R754 PolarHBondContact O-NH2 2.94Å
735	S	78.1	Confident	81.2	Confident	15 Å²	15	40.5 Å²	40.5	11%	0.105	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-94.8	-16.2	168.2	68.2	0	0	0	0	113.5	I731 C732 T733 R754	I731-S735 VanDerWaalsContact CG2-OG 3.27Å; I731-S735 WeakPolarHBondContact CG2-OG 3.22Å; C732-S735 WeakPolarHBondContact O-CB 3.45Å; C732-S735 PolarHBondContact O-N 2.85Å; C732-S735 PolarHBondContact O-OG 3.04Å; T733-S735 PolarHBondContact O-N 2.83Å; T733-S735 VanDerWaalsContact O-N 3.13Å; S735-R754 PolarHBondContact O-NH2 2.97Å
736	L	79.6	Confident	81.4	Confident	18 Å²	18	40.5 Å²	40.5	9%	0.094	21%	0.205	C	C	.	.			trans	-72.1	144.8	-176.3	-57.3	175.8	0	0	0	111.2	H680 T733 V738 R754 L779	H680-L736 HydrophobicContact CB-CD1 4.41Å; T733-L736 HydrophobicContact CG2-CD1 4.24Å; T733-L736 WeakPolarHBondContact O-CB 3.17Å; T733-L736 PolarHBondContact O-N 3.25Å; L736-V738 VanDerWaalsContact C-N 3.29Å; L736-V738 WeakPolarHBondContact CB-O 3.38Å; L736-R754 PolarHBondContact O-NE 2.82Å; L736-L779 HydrophobicContact CD1-CD2 3.97Å
737	E	82.9	Confident	81.9	Confident	40 Å²	40	40.4 Å²	40.4	19%	0.187	20%	0.203	C	C	.	.	S	Bend	trans	-79.3	-16.9	176.8	-56.4	87.6	162.7	0	0	112.2	V753 R754 S818	E737-V753 CarbonylContact O-C 3.16Å; E737-V753 WeakPolarHBondContact O-CA 3.19Å; E737-R754 PolarHBondContact O-N 3.37Å; E737-S818 WeakPolarHBondContact CG-OG 3.35Å
738	V	88.4	Confident	82.1	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.1	-177.6	-175.3	0	0	0	0	111	L736 V751 E752 V753 I775 L778 L814	L736-V738 VanDerWaalsContact C-N 3.29Å; L736-V738 WeakPolarHBondContact CB-O 3.38Å; V738-V751 HydrophobicContact CG1-CG1 4.12Å; V738-E752 CarbonylContact C-O 3.53Å; V738-E752 VanDerWaalsContact CA-O 3.31Å; V738-E752 WeakPolarHBondContact CA-O 3.38Å; V738-E752 WeakPolarHBondContact CG1-O 3.46Å; V738-V753 HydrophobicContact CG1-CG1 4.45Å; V738-V753 HydrophobicContact CG2-CG1 3.9Å; V738-I775 HydrophobicContact CG1-CD1 3.91Å; V738-I775 HydrophobicContact CG1-CG2 3.64Å; V738-I775 HydrophobicContact CG2-CD1 4.05Å; V738-L778 HydrophobicContact CB-CD2 4.01Å; V738-L778 HydrophobicContact CG2-CD2 3.78Å; V738-L814 HydrophobicContact CG2-CD1 4.37Å; V738-L814 HydrophobicContact CG2-CD2 3.77Å; V738-L814 HydrophobicContact CG2-CG 4.2Å
739	R	88.6	Confident	82.3	Confident	89 Å²	89	40.1 Å²	40.1	34%	0.336	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.6	166.9	70.9	-176.5	-176.8	-174.4	-0.5	112.1	E752 W759	R739-E752 HydrophobicContact CG-CB 3.96Å; R739-E752 IonicContact CZ-OE2 3.32Å; R739-E752 VanDerWaalsContact CZ-OE2 3.23Å; R739-E752 PolarHBondContact N-O 3.1Å; R739-E752 IonicContact NE-OE2 3.41Å; R739-E752 PolarHBondContact NE-OE2 3.49Å; R739-E752 IonicContact NH2-OE2 2.73Å; R739-E752 PolarHBondContact NH2-OE2 2.04Å; R739-E752 PolarHBondContact O-N 3.21Å; R739-W759 HydrophobicContact CB-CH2 3.92Å; R739-W759 HydrophobicContact CB-CZ3 4.05Å; R739-W759 HydrophobicContact CG-CD2 4.43Å; R739-W759 HydrophobicContact CG-CE3 3.93Å; R739-W759 HydrophobicContact CG-CH2 3.79Å; R739-W759 HydrophobicContact CG-CZ2 4.28Å; R739-W759 HydrophobicContact CG-CZ3 3.6Å
740	L	89.2	Confident	82.6	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.126	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.6	170.5	-60.8	-179.9	0	0	0	110	R750 V751 I775 L779 A835	L740-R750 CarbonylContact C-O 3.46Å; L740-R750 WeakPolarHBondContact CA-O 3.37Å; L740-V751 HydrophobicContact CD2-CB 4.46Å; L740-V751 HydrophobicContact CD2-CG2 3.74Å; L740-I775 HydrophobicContact CD2-CG2 4.07Å; L740-L779 HydrophobicContact CD1-CD1 3.86Å; L740-L779 HydrophobicContact CD2-CD1 4.46Å; L740-L779 HydrophobicContact CG-CD1 3.64Å; L740-A835 HydrophobicContact CD1-CB 4.46Å; L740-A835 HydrophobicContact CD2-CB 3.93Å
741	A	88.9	Confident	83	Confident	16 Å²	16	40.5 Å²	40.5	13%	0.132	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.2	-173.6	0	0	0	0	0	112.4	G743 R750 E752	A741-G743 VanDerWaalsContact C-N 3.26Å; A741-G743 PolarHBondContact O-N 3.24Å; A741-R750 PolarHBondContact N-O 2.94Å; A741-R750 WeakPolarHBondContact O-CB 3.28Å; A741-R750 PolarHBondContact O-N 2.82Å; A741-E752 HydrophobicContact CB-CG 4.37Å
742	K	84.8	Confident	83.4	Confident	142 Å²	142	39.4 Å²	39.4	62%	0.617	20%	0.198	S	C	*	.	S	Bend	trans	57	31.2	177.1	-56.1	-172.6	-174.8	167.2	0	114.6	F793 Q795	K742-F793 WeakPolarHBondContact CB-O 3.29Å; K742-Q795 PolarHBondContact NZ-O 3.03Å; K742-Q795 VanDerWaalsContact NZ-O 3.15Å
743	G	77.6	Confident	83.6	Confident	32 Å²	32	39.4 Å²	39.4	33%	0.33	20%	0.198	S	C	.	.	S	Bend	trans	-92.4	-174.2	167.5	0	0	0	0	0	113.1	A741 S748	A741-G743 VanDerWaalsContact C-N 3.26Å; A741-G743 PolarHBondContact O-N 3.24Å; G743-S748 VanDerWaalsContact CA-O 3.27Å; G743-S748 WeakPolarHBondContact CA-O 3.34Å
744	K	68.8	Low	83.9	Confident	200 Å²	200	38.9 Å²	38.9	87%	0.87	19%	0.193	S	C	*	.	S	Bend	trans	-78.3	-31	179.2	-174.9	-174	173.6	-166.6	0	111.7	S748	K744-S748 PolarHBondContact N-OG 3.05Å
745	D	65.2	Low	84.2	Confident	88 Å²	88	42 Å²	42	47%	0.471	21%	0.205	S	C	.	.	S	Bend	trans	-146.7	178.7	-176.4	50.1	49.5	0	0	0	109.5	C747 S748	D745-C747 PolarHBondContact O-N 2.79Å; D745-C747 PolarHBondContact OD1-N 3.37Å; D745-C747 VanDerWaalsContact OD1-N 3.09Å; D745-S748 PolarHBondContact N-OG 3.39Å; D745-S748 PolarHBondContact O-N 2.67Å; D745-S748 WeakPolarHBondContact OD1-CB 3.38Å; D745-S748 PolarHBondContact OD1-N 2.85Å; D745-S748 PolarHBondContact OD1-OG 3.05Å
746	E	71.3	Confident	84	Confident	81 Å²	81	43.6 Å²	43.6	38%	0.379	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.7	-178.5	-59.6	-171.6	152.8	0	0	114	R678 K869	R678-E746 IonicContact NH1-OE1 3.9Å; E746-K869 IonicContact OE2-NZ 2.79Å; E746-K869 PolarHBondContact OE2-NZ 3Å
747	C	81.7	Confident	83.5	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.115	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	10.4	-177.4	-66	0	0	0	0	112.7	D745 C781 C837	D745-C747 PolarHBondContact O-N 2.79Å; D745-C747 PolarHBondContact OD1-N 3.37Å; D745-C747 VanDerWaalsContact OD1-N 3.09Å; C747-C781 WeakPolarHBondContact CA-SG 3.49Å; C747-C781 HydrophobicContact CB-CB 3.63Å; C747-C781 WeakPolarHBondContact CB-SG 3.41Å; C747-C781 WeakPolarHBondContact SG-CB 3.39Å; C747-C781 CovalentContact SG-SG 2.05Å; C747-C781 PolarHBondContact SG-SG 2.87Å; C747-C837 HydrophobicContact CB-CB 4.2Å; C747-C837 WeakPolarHBondContact O-CB 2.99Å; C747-C837 PolarHBondContact O-N 3.47Å
748	S	84.9	Confident	83.4	Confident	10 Å²	10	50.5 Å²	50.5	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.9	173	57.8	0	0	0	0	110.3	G743 K744 D745 A835	G743-S748 VanDerWaalsContact CA-O 3.27Å; G743-S748 WeakPolarHBondContact CA-O 3.34Å; K744-S748 PolarHBondContact N-OG 3.05Å; D745-S748 PolarHBondContact N-OG 3.39Å; D745-S748 PolarHBondContact O-N 2.67Å; D745-S748 WeakPolarHBondContact OD1-CB 3.38Å; D745-S748 PolarHBondContact OD1-N 2.85Å; D745-S748 PolarHBondContact OD1-OG 3.05Å; S748-A835 CarbonylContact C-O 3.29Å; S748-A835 WeakPolarHBondContact CA-O 3.28Å
749	G	91.3	Very high	83.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.7	-176.1	174.8	0	0	0	0	0	114.9	F793 G834 A835	G749-F793 WeakPolarHBondContact O-CD2 3.3Å; G749-F793 WeakPolarHBondContact O-CE2 3.33Å; G749-G834 CarbonylContact O-C 3.5Å; G749-G834 WeakPolarHBondContact O-CA 3.39Å; G749-A835 PolarHBondContact N-O 3.24Å; G749-A835 PolarHBondContact O-N 3.1Å
750	R	95.9	Very high	83.7	Confident	9 Å²	9	49.7 Å²	49.7	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.9	171.7	178.6	176.5	59.1	-87.1	-11.5	109.5	L740 A741 E752 F793 G794 D832 A833	L740-R750 CarbonylContact C-O 3.46Å; L740-R750 WeakPolarHBondContact CA-O 3.37Å; A741-R750 PolarHBondContact N-O 2.94Å; A741-R750 WeakPolarHBondContact O-CB 3.28Å; A741-R750 PolarHBondContact O-N 2.82Å; R750-E752 IonicContact CZ-OE1 3.99Å; R750-E752 VanDerWaalsContact CZ-OE1 3.31Å; R750-E752 IonicContact NE-OE1 3.85Å; R750-E752 PolarHBondContact NE-OE1 3.09Å; R750-E752 IonicContact NH2-OE1 3.32Å; R750-E752 PolarHBondContact NH2-OE1 3.17Å; R750-E752 PolarHBondContact O-N 3.33Å; R750-F793 HydrophobicContact CB-CB 4.1Å; R750-F793 PolarHBondContact NH1-O 3.34Å; R750-F793 VanDerWaalsContact NH1-O 3.17Å; R750-G794 PolarHBondContact NH1-O 3.39Å; R750-D832 WeakPolarHBondContact CD-OD2 3.34Å; R750-D832 HydrophobicContact CG-CB 4.14Å; R750-A833 WeakPolarHBondContact CA-O 3.39Å
751	V	95.8	Very high	84	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.4	179.8	-179.8	0	0	0	0	109.5	V738 L740 V753 V762 W767 I775 A833 A835	V738-V751 HydrophobicContact CG1-CG1 4.12Å; L740-V751 HydrophobicContact CD2-CB 4.46Å; L740-V751 HydrophobicContact CD2-CG2 3.74Å; V751-V753 HydrophobicContact CG1-CG1 4.4Å; V751-V762 HydrophobicContact CB-CG2 4.39Å; V751-V762 HydrophobicContact CG1-CB 4.44Å; V751-V762 HydrophobicContact CG1-CG2 3.81Å; V751-V762 PolarHBondContact O-N 3.41Å; V751-W767 HydrophobicContact CB-CZ2 4.45Å; V751-W767 HydrophobicContact CG1-CH2 4.15Å; V751-W767 HydrophobicContact CG1-CZ2 4.42Å; V751-W767 HydrophobicContact CG2-CH2 4.29Å; V751-W767 HydrophobicContact CG2-CZ2 3.73Å; V751-I775 HydrophobicContact CG1-CD1 4.22Å; V751-I775 HydrophobicContact CG1-CG1 4.25Å; V751-A833 PolarHBondContact N-O 2.79Å; V751-A835 HydrophobicContact CG2-CB 3.83Å
752	E	94	Very high	84.3	Confident	9 Å²	9	47.8 Å²	47.8	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129	173.5	-65.8	-178.5	-177.7	0	0	109.5	V738 R739 A741 R750 W759 Q760 T761	V738-E752 CarbonylContact C-O 3.53Å; V738-E752 VanDerWaalsContact CA-O 3.31Å; V738-E752 WeakPolarHBondContact CA-O 3.38Å; V738-E752 WeakPolarHBondContact CG1-O 3.46Å; R739-E752 HydrophobicContact CG-CB 3.96Å; R739-E752 IonicContact CZ-OE2 3.32Å; R739-E752 VanDerWaalsContact CZ-OE2 3.23Å; R739-E752 PolarHBondContact N-O 3.1Å; R739-E752 IonicContact NE-OE2 3.41Å; R739-E752 PolarHBondContact NE-OE2 3.49Å; R739-E752 IonicContact NH2-OE2 2.73Å; R739-E752 PolarHBondContact NH2-OE2 2.04Å; R739-E752 PolarHBondContact O-N 3.21Å; A741-E752 HydrophobicContact CB-CG 4.37Å; R750-E752 IonicContact CZ-OE1 3.99Å; R750-E752 VanDerWaalsContact CZ-OE1 3.31Å; R750-E752 IonicContact NE-OE1 3.85Å; R750-E752 PolarHBondContact NE-OE1 3.09Å; R750-E752 IonicContact NH2-OE1 3.32Å; R750-E752 PolarHBondContact NH2-OE1 3.17Å; R750-E752 PolarHBondContact O-N 3.33Å; E752-W759 HydrophobicContact CB-CE3 4Å; E752-W759 WeakPolarHBondContact O-CZ3 3.47Å; E752-Q760 CarbonylContact C-O 3.51Å; E752-Q760 VanDerWaalsContact CA-O 3.27Å; E752-Q760 WeakPolarHBondContact CA-O 3.34Å; E752-T761 HydrophobicContact CG-CG2 4.36Å
753	V	92.4	Very high	84.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.5	179.2	-58.7	0	0	0	0	110.8	E737 V738 V751 Q760 V762 V801 F808 F822	E737-V753 CarbonylContact O-C 3.16Å; E737-V753 WeakPolarHBondContact O-CA 3.19Å; V738-V753 HydrophobicContact CG1-CG1 4.45Å; V738-V753 HydrophobicContact CG2-CG1 3.9Å; V751-V753 HydrophobicContact CG1-CG1 4.4Å; V753-Q760 HydrophobicContact CG2-CB 4.37Å; V753-Q760 PolarHBondContact N-O 3.06Å; V753-Q760 PolarHBondContact O-N 2.94Å; V753-V762 HydrophobicContact CG1-CG2 3.77Å; V753-V762 HydrophobicContact CG2-CG2 4.18Å; V753-V801 HydrophobicContact CG2-CG2 3.74Å; V753-F808 HydrophobicContact CG1-CE1 3.76Å; V753-F808 HydrophobicContact CG1-CZ 3.79Å; V753-F822 HydrophobicContact CB-CE1 4.34Å; V753-F822 HydrophobicContact CB-CE2 4.06Å; V753-F822 HydrophobicContact CB-CZ 3.84Å; V753-F822 HydrophobicContact CG1-CZ 4.47Å; V753-F822 HydrophobicContact CG2-CD1 4.29Å; V753-F822 HydrophobicContact CG2-CD2 4.01Å; V753-F822 HydrophobicContact CG2-CE1 4.09Å; V753-F822 HydrophobicContact CG2-CE2 3.8Å; V753-F822 HydrophobicContact CG2-CG 4.26Å; V753-F822 HydrophobicContact CG2-CZ 3.86Å
754	R	85.9	Confident	85.7	Confident	21 Å²	21	41.4 Å²	41.4	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.1	-174.5	-163.5	174.2	67.5	158.9	0.7	112.6	H640 G734 S735 L736 E737 G756 T758 W759 S818	H640-R754 PolarHBondContact NE2-NH2 3.17Å; G734-R754 VanDerWaalsContact O-CZ 3.27Å; G734-R754 PolarHBondContact O-NH1 3.08Å; G734-R754 PolarHBondContact O-NH2 2.94Å; S735-R754 PolarHBondContact O-NH2 2.97Å; L736-R754 PolarHBondContact O-NE 2.82Å; E737-R754 PolarHBondContact O-N 3.37Å; R754-G756 WeakPolarHBondContact CG-O 3.34Å; R754-T758 WeakPolarHBondContact CA-O 3.43Å; R754-W759 HydrophobicContact CB-CD2 4.19Å; R754-W759 HydrophobicContact CB-CE3 3.83Å; R754-W759 HydrophobicContact CB-CH2 4.05Å; R754-W759 HydrophobicContact CB-CZ2 4.4Å; R754-W759 HydrophobicContact CB-CZ3 3.75Å; R754-W759 HydrophobicContact CG-CD2 4.3Å; R754-W759 HydrophobicContact CG-CE3 4.45Å; R754-S818 WeakPolarHBondContact O-CA 3.48Å; R754-S818 WeakPolarHBondContact O-CB 3.3Å; R754-S818 PolarHBondContact O-OG 3.21Å
755	H	83.1	Confident	86.7	Confident	69 Å²	69	35.9 Å²	35.9	32%	0.319	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.7	165.4	172.6	-153.2	0	0	0	109	E757 T758 S818 G821 F822	H755-E757 PolarHBondContact O-N 3.47Å; H755-T758 PolarHBondContact N-O 3.03Å; H755-T758 VanDerWaalsContact N-O 3.1Å; H755-T758 PolarHBondContact O-N 3.43Å; H755-T758 PolarHBondContact O-OG1 2.85Å; H755-S818 PolarHBondContact CD2-O 2.95Å; H755-S818 VanDerWaalsContact CD2-O 3.29Å; H755-G821 WeakPolarHBondContact CE1-CA 3.42Å; H755-G821 VanDerWaalsContact ND1-CA 3.28Å; H755-G821 WeakPolarHBondContact ND1-CA 3.31Å; H755-F822 HydrophobicContact CB-CD2 4.11Å; H755-F822 HydrophobicContact CB-CE2 4.3Å
756	G	74.1	Confident	87.9	Confident	49 Å²	49	34 Å²	34	51%	0.505	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	-130.1	-168	0	0	0	0	0	111	R754	R754-G756 WeakPolarHBondContact CG-O 3.34Å
757	E	69.7	Low	89.1	Confident	123 Å²	123	31.3 Å²	31.3	58%	0.575	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	11.4	176.5	-59.3	-76.5	147	0	0	112.5	R641 H755	R641-E757 VanDerWaalsContact NH1-CD 3.35Å; R641-E757 IonicContact NH1-OE1 2.73Å; R641-E757 PolarHBondContact NH1-OE1 2.96Å; R641-E757 IonicContact NH1-OE2 2.88Å; R641-E757 PolarHBondContact NH1-OE2 3.35Å; R641-E757 VanDerWaalsContact NH1-OE2 3.11Å; H755-E757 PolarHBondContact O-N 3.47Å
758	T	79.9	Confident	89.7	Confident	80 Å²	80	33.2 Å²	33.2	49%	0.491	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	-176.1	63.7	0	0	0	0	112.6	R754 H755 Q760	R754-T758 WeakPolarHBondContact CA-O 3.43Å; H755-T758 PolarHBondContact N-O 3.03Å; H755-T758 VanDerWaalsContact N-O 3.1Å; H755-T758 PolarHBondContact O-N 3.43Å; H755-T758 PolarHBondContact O-OG1 2.85Å; T758-Q760 PolarHBondContact OG1-NE2 2.91Å
759	W	88.9	Confident	90	Very high	51 Å²	51	38.4 Å²	38.4	19%	0.193	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.6	170.4	-70.4	101.6	0	0	0	110.7	R739 E752 R754	R739-W759 HydrophobicContact CB-CH2 3.92Å; R739-W759 HydrophobicContact CB-CZ3 4.05Å; R739-W759 HydrophobicContact CG-CD2 4.43Å; R739-W759 HydrophobicContact CG-CE3 3.93Å; R739-W759 HydrophobicContact CG-CH2 3.79Å; R739-W759 HydrophobicContact CG-CZ2 4.28Å; R739-W759 HydrophobicContact CG-CZ3 3.6Å; E752-W759 HydrophobicContact CB-CE3 4Å; E752-W759 WeakPolarHBondContact O-CZ3 3.47Å; R754-W759 HydrophobicContact CB-CD2 4.19Å; R754-W759 HydrophobicContact CB-CE3 3.83Å; R754-W759 HydrophobicContact CB-CH2 4.05Å; R754-W759 HydrophobicContact CB-CZ2 4.4Å; R754-W759 HydrophobicContact CB-CZ3 3.75Å; R754-W759 HydrophobicContact CG-CD2 4.3Å; R754-W759 HydrophobicContact CG-CE3 4.45Å
760	Q	93.6	Very high	90	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.4	-174.9	-52	-172.7	12	0	0	109.1	E752 V753 T758 T799 V801	E752-Q760 CarbonylContact C-O 3.51Å; E752-Q760 VanDerWaalsContact CA-O 3.27Å; E752-Q760 WeakPolarHBondContact CA-O 3.34Å; V753-Q760 HydrophobicContact CG2-CB 4.37Å; V753-Q760 PolarHBondContact N-O 3.06Å; V753-Q760 PolarHBondContact O-N 2.94Å; T758-Q760 PolarHBondContact OG1-NE2 2.91Å; Q760-T799 WeakPolarHBondContact CA-O 3.35Å; Q760-T799 WeakPolarHBondContact CB-O 3.42Å; Q760-T799 VanDerWaalsContact CD-OG1 3.27Å; Q760-T799 VanDerWaalsContact CG-OG1 3.28Å; Q760-T799 WeakPolarHBondContact CG-OG1 3.34Å; Q760-T799 PolarHBondContact OE1-OG1 3.12Å; Q760-V801 HydrophobicContact CB-CG1 3.95Å
761	T	95.6	Very high	89.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	156.4	178.5	66.3	0	0	0	0	111.2	E752 T799 V800 V801 H829 D832	E752-T761 HydrophobicContact CG-CG2 4.36Å; T761-T799 PolarHBondContact N-O 2.89Å; T761-V800 CarbonylContact O-C 3.42Å; T761-V800 VanDerWaalsContact O-CA 3.32Å; T761-V800 WeakPolarHBondContact O-CA 3.47Å; T761-V800 WeakPolarHBondContact OG1-CG2 3.15Å; T761-V801 WeakPolarHBondContact O-CG2 3.35Å; T761-V801 PolarHBondContact O-N 3.17Å; T761-H829 PolarHBondContact OG1-ND1 2.84Å; T761-D832 WeakPolarHBondContact CB-OD1 3.35Å; T761-D832 PolarHBondContact OG1-OD1 2.91Å
762	V	96.7	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.4	-179	-175.1	0	0	0	0	110.3	V751 V753 W767 V801 A803 F808 A833	V751-V762 HydrophobicContact CB-CG2 4.39Å; V751-V762 HydrophobicContact CG1-CB 4.44Å; V751-V762 HydrophobicContact CG1-CG2 3.81Å; V751-V762 PolarHBondContact O-N 3.41Å; V753-V762 HydrophobicContact CG1-CG2 3.77Å; V753-V762 HydrophobicContact CG2-CG2 4.18Å; V762-W767 HydrophobicContact CG1-CE3 3.79Å; V762-W767 HydrophobicContact CG1-CZ3 3.87Å; V762-V801 HydrophobicContact CB-CG2 4.44Å; V762-V801 HydrophobicContact CG2-CG2 3.96Å; V762-A803 HydrophobicContact CG1-CB 3.85Å; V762-F808 HydrophobicContact CG1-CE1 4.38Å; V762-F808 HydrophobicContact CG1-CE2 4.36Å; V762-F808 HydrophobicContact CG1-CZ 3.97Å; V762-F808 HydrophobicContact CG2-CE1 4.05Å; V762-F808 HydrophobicContact CG2-CZ 3.7Å; V762-A833 HydrophobicContact CB-CB 4.3Å; V762-A833 HydrophobicContact CG1-CB 4.46Å; V762-A833 VanDerWaalsContact O-CB 3.31Å; V762-A833 WeakPolarHBondContact O-CB 3.22Å; V762-A833 PolarHBondContact O-N 2.79Å
763	C	95.9	Very high	89.6	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.02	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-77.1	140.9	177.3	179.6	0	0	0	0	113.2	A765 V800 V801 C827	C763-A765 PolarHBondContact SG-N 3.05Å; C763-A765 VanDerWaalsContact SG-N 3.36Å; C763-V800 HydrophobicContact CB-CG1 3.85Å; C763-V801 PolarHBondContact N-O 3.49Å; C763-C827 HydrophobicContact CB-CB 3.6Å; C763-C827 WeakPolarHBondContact CB-SG 3.45Å; C763-C827 WeakPolarHBondContact SG-CB 3.21Å; C763-C827 CovalentContact SG-SG 2.02Å; C763-C827 PolarHBondContact SG-SG 3.36Å
764	D	95.3	Very high	89.6	Confident	37 Å²	37	44.3 Å²	44.3	20%	0.198	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-73.9	-17.6	178.3	71.9	0.8	0	0	0	115.6	A766 W767 A790 H831 A833	D764-A766 PolarHBondContact O-N 3.18Å; D764-W767 WeakPolarHBondContact O-CB 3.36Å; D764-W767 PolarHBondContact O-N 2.88Å; D764-A790 PolarHBondContact OD2-N 2.86Å; D764-H831 WeakPolarHBondContact CB-O 3.29Å; D764-H831 PolarHBondContact N-O 2.89Å; D764-H831 WeakPolarHBondContact OD1-CB 3.45Å; D764-H831 IonicContact OD1-CG 3.54Å; D764-H831 IonicContact OD1-ND1 3.27Å; D764-H831 PolarHBondContact OD1-ND1 3.49Å; D764-H831 IonicContact OD2-ND1 2.81Å; D764-H831 PolarHBondContact OD2-ND1 3.21Å; D764-A833 HydrophobicContact CB-CB 4.43Å
765	A	90	Very high	89.8	Confident	83 Å²	83	43.3 Å²	43.3	69%	0.686	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-58.5	-24.9	-171.8	0	0	0	0	0	115.1	C763	C763-A765 PolarHBondContact SG-N 3.05Å; C763-A765 VanDerWaalsContact SG-N 3.36Å
766	A	90.1	Very high	90	Very high	50 Å²	50	40 Å²	40	41%	0.413	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-129.4	20.2	173.7	0	0	0	0	0	112.2	D764 K771 A803	D764-A766 PolarHBondContact O-N 3.18Å; A766-K771 WeakPolarHBondContact O-CD 3.45Å; A766-K771 WeakPolarHBondContact O-CE 3.22Å; A766-K771 PolarHBondContact O-NZ 2.79Å; A766-A803 HydrophobicContact CB-CB 4.31Å
767	W	96.1	Very high	90.5	Very high	23 Å²	23	42.4 Å²	42.4	9%	0.087	24%	0.239	C	C	.	.			trans	-82.5	130.3	-178.8	-167.9	-115.5	0	0	0	110.7	V751 V762 D764 K771 A772 I775 A803 F808 A833 G834	V751-W767 HydrophobicContact CB-CZ2 4.45Å; V751-W767 HydrophobicContact CG1-CH2 4.15Å; V751-W767 HydrophobicContact CG1-CZ2 4.42Å; V751-W767 HydrophobicContact CG2-CH2 4.29Å; V751-W767 HydrophobicContact CG2-CZ2 3.73Å; V762-W767 HydrophobicContact CG1-CE3 3.79Å; V762-W767 HydrophobicContact CG1-CZ3 3.87Å; D764-W767 WeakPolarHBondContact O-CB 3.36Å; D764-W767 PolarHBondContact O-N 2.88Å; W767-K771 HydrophobicContact CE3-CB 4Å; W767-K771 HydrophobicContact CE3-CD 4.47Å; W767-K771 HydrophobicContact CH2-CB 4.16Å; W767-K771 HydrophobicContact CZ3-CB 3.81Å; W767-A772 HydrophobicContact CZ2-CB 3.79Å; W767-I775 HydrophobicContact CH2-CD1 4.21Å; W767-I775 HydrophobicContact CH2-CG1 3.68Å; W767-I775 HydrophobicContact CZ2-CG1 4.13Å; W767-A803 HydrophobicContact CE3-CB 3.75Å; W767-A803 HydrophobicContact CZ3-CB 4.42Å; W767-F808 HydrophobicContact CH2-CD1 4.07Å; W767-F808 HydrophobicContact CH2-CE1 4.32Å; W767-F808 AromaticContact CZ3-CD1 3.61Å; W767-F808 HydrophobicContact CZ3-CD1 3.61Å; W767-F808 AromaticContact CZ3-CE1 3.92Å; W767-F808 HydrophobicContact CZ3-CE1 3.92Å; W767-F808 HydrophobicContact CZ3-CG 4.11Å; W767-A833 HydrophobicContact CB-CB 4.11Å; W767-A833 HydrophobicContact CD2-CB 3.79Å; W767-A833 HydrophobicContact CE3-CB 4.44Å; W767-A833 HydrophobicContact CG-CB 3.59Å; W767-G834 PolarHBondContact NE1-O 3.42Å
768	T	94.1	Very high	91.2	Very high	57 Å²	57	37.5 Å²	37.5	35%	0.35	22%	0.216	S	C	.	.			trans	-134.5	160.2	-176.4	62	0	0	0	0	110.4	S770 K771 A772	T768-S770 PolarHBondContact O-N 2.63Å; T768-S770 PolarHBondContact OG1-OG 3.3Å; T768-K771 WeakPolarHBondContact O-CB 3.02Å; T768-K771 PolarHBondContact O-N 3.47Å; T768-K771 WeakPolarHBondContact OG1-CG 3.45Å; T768-K771 PolarHBondContact OG1-N 3.35Å; T768-A772 PolarHBondContact O-N 3.14Å
769	E	91.8	Very high	91.2	Very high	120 Å²	120	34.2 Å²	34.2	56%	0.561	20%	0.195	S	C	*	.	H	α-helix	trans	-55.3	-38.4	174.1	-69.2	175.5	-179.6	0	0	112.1	K771 A772 E773 T784 A787	E769-K771 PolarHBondContact O-N 2.67Å; E769-A772 CarbonylContact O-C 3.59Å; E769-A772 PolarHBondContact O-N 2.99Å; E769-E773 WeakPolarHBondContact O-CB 3.23Å; E769-E773 PolarHBondContact O-N 3.5Å; E769-T784 HydrophobicContact CB-CG2 4.39Å; E769-T784 PolarHBondContact O-OG1 2.98Å; E769-A787 HydrophobicContact CG-CB 4.02Å
770	S	91.3	Very high	90.7	Very high	83 Å²	83	35.7 Å²	35.7	58%	0.58	20%	0.204	S	C	*	.	H	α-helix	trans	-64.7	-25.3	176.2	64.7	0	0	0	0	114.1	T768 E773	T768-S770 PolarHBondContact O-N 2.63Å; T768-S770 PolarHBondContact OG1-OG 3.3Å; S770-E773 WeakPolarHBondContact O-CB 3.24Å
771	K	94.4	Very high	89.8	Confident	13 Å²	13	34.8 Å²	34.8	6%	0.057	20%	0.2	C	C	.	.	H	α-helix	trans	-84.4	-39.2	175.4	-70.4	173.3	-175.5	179.1	0	110.9	A766 W767 T768 E769 E773 V774 A803 D805 F808	A766-K771 WeakPolarHBondContact O-CD 3.45Å; A766-K771 WeakPolarHBondContact O-CE 3.22Å; A766-K771 PolarHBondContact O-NZ 2.79Å; W767-K771 HydrophobicContact CE3-CB 4Å; W767-K771 HydrophobicContact CE3-CD 4.47Å; W767-K771 HydrophobicContact CH2-CB 4.16Å; W767-K771 HydrophobicContact CZ3-CB 3.81Å; T768-K771 WeakPolarHBondContact O-CB 3.02Å; T768-K771 PolarHBondContact O-N 3.47Å; T768-K771 WeakPolarHBondContact OG1-CG 3.45Å; T768-K771 PolarHBondContact OG1-N 3.35Å; E769-K771 PolarHBondContact O-N 2.67Å; K771-E773 PolarHBondContact O-N 2.75Å; K771-V774 WeakPolarHBondContact O-CB 3.46Å; K771-V774 PolarHBondContact O-N 3.17Å; K771-A803 HydrophobicContact CD-CB 4.41Å; K771-A803 PolarHBondContact NZ-O 2.89Å; K771-D805 WeakPolarHBondContact CE-OD1 3.36Å; K771-D805 IonicContact NZ-OD1 3.69Å; K771-D805 PolarHBondContact NZ-OD1 3.07Å; K771-F808 HydrophobicContact CB-CB 4.11Å; K771-F808 HydrophobicContact CD-CB 4.14Å; K771-F808 HydrophobicContact CG-CB 3.92Å
772	A	92.8	Very high	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-30.6	169.4	0	0	0	0	0	111.8	W767 T768 E769 V774 I775 C776 T784 A787 A835	W767-A772 HydrophobicContact CZ2-CB 3.79Å; T768-A772 PolarHBondContact O-N 3.14Å; E769-A772 CarbonylContact O-C 3.59Å; E769-A772 PolarHBondContact O-N 2.99Å; A772-V774 VanDerWaalsContact C-N 3.31Å; A772-V774 PolarHBondContact O-N 3.05Å; A772-I775 CarbonylContact O-C 3.41Å; A772-I775 WeakPolarHBondContact O-CA 3.37Å; A772-I775 VanDerWaalsContact O-CB 3.31Å; A772-I775 WeakPolarHBondContact O-CB 3.45Å; A772-I775 PolarHBondContact O-N 3.45Å; A772-C776 PolarHBondContact O-N 2.79Å; A772-C776 PolarHBondContact O-SG 2.7Å; A772-C776 VanDerWaalsContact O-SG 3.41Å; A772-T784 VanDerWaalsContact C-OG1 3.28Å; A772-T784 HydrophobicContact CB-CG2 3.68Å; A772-A787 HydrophobicContact CB-CB 3.76Å; A772-A835 HydrophobicContact CB-CB 4.13Å
773	E	90.2	Very high	88	Confident	36 Å²	36	39.4 Å²	39.4	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-40.3	175.3	-175.7	64.5	-160.4	0	0	112.6	E769 S770 K771 I775 C776 Q777 H783 T784	E769-E773 WeakPolarHBondContact O-CB 3.23Å; E769-E773 PolarHBondContact O-N 3.5Å; S770-E773 WeakPolarHBondContact O-CB 3.24Å; K771-E773 PolarHBondContact O-N 2.75Å; E773-I775 PolarHBondContact O-N 3.18Å; E773-C776 PolarHBondContact O-N 3.27Å; E773-Q777 HydrophobicContact CG-CG 4.48Å; E773-Q777 WeakPolarHBondContact O-CB 3.14Å; E773-Q777 VanDerWaalsContact O-CG 3.25Å; E773-Q777 WeakPolarHBondContact O-CG 3.48Å; E773-Q777 PolarHBondContact O-N 3.22Å; E773-Q777 PolarHBondContact OE1-NE2 3.29Å; E773-H783 IonicContact OE1-CE1 3.88Å; E773-H783 IonicContact OE1-CG 2.83Å; E773-H783 IonicContact OE1-ND1 2.74Å; E773-H783 PolarHBondContact OE1-ND1 2.98Å; E773-H783 WeakPolarHBondContact OE2-CA 3.29Å; E773-H783 IonicContact OE2-ND1 3.1Å; E773-T784 WeakPolarHBondContact CA-OG1 2.99Å; E773-T784 WeakPolarHBondContact CB-OG1 3.22Å; E773-T784 PolarHBondContact N-OG1 3.09Å; E773-T784 WeakPolarHBondContact OE2-CB 3.43Å; E773-T784 PolarHBondContact OE2-N 2.88Å; E773-T784 PolarHBondContact OE2-OG1 2.71Å
774	V	91.4	Very high	87.4	Confident	9 Å²	9	40.5 Å²	40.5	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-35.7	175.1	-178.2	0	0	0	0	110.8	K771 A772 L778 F808 N810 L814	K771-V774 WeakPolarHBondContact O-CB 3.46Å; K771-V774 PolarHBondContact O-N 3.17Å; A772-V774 VanDerWaalsContact C-N 3.31Å; A772-V774 PolarHBondContact O-N 3.05Å; V774-L778 WeakPolarHBondContact O-CB 3.45Å; V774-L778 PolarHBondContact O-N 3.37Å; V774-F808 WeakPolarHBondContact CG2-O 3.41Å; V774-N810 VanDerWaalsContact CG1-C 3.5Å; V774-L814 HydrophobicContact CG1-CD2 3.93Å
775	I	91.7	Very high	86.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-48	176.7	-49.4	-57.9	0	0	0	111	V738 L740 V751 W767 A772 E773 Q777 L778 L779 F808 L814	V738-I775 HydrophobicContact CG1-CD1 3.91Å; V738-I775 HydrophobicContact CG1-CG2 3.64Å; V738-I775 HydrophobicContact CG2-CD1 4.05Å; L740-I775 HydrophobicContact CD2-CG2 4.07Å; V751-I775 HydrophobicContact CG1-CD1 4.22Å; V751-I775 HydrophobicContact CG1-CG1 4.25Å; W767-I775 HydrophobicContact CH2-CD1 4.21Å; W767-I775 HydrophobicContact CH2-CG1 3.68Å; W767-I775 HydrophobicContact CZ2-CG1 4.13Å; A772-I775 CarbonylContact O-C 3.41Å; A772-I775 WeakPolarHBondContact O-CA 3.37Å; A772-I775 VanDerWaalsContact O-CB 3.31Å; A772-I775 WeakPolarHBondContact O-CB 3.45Å; A772-I775 PolarHBondContact O-N 3.45Å; E773-I775 PolarHBondContact O-N 3.18Å; I775-Q777 VanDerWaalsContact C-N 3.3Å; I775-Q777 PolarHBondContact O-N 3.41Å; I775-L778 PolarHBondContact O-N 3.18Å; I775-L779 HydrophobicContact CG2-CD1 3.83Å; I775-L779 HydrophobicContact CG2-CG 4.41Å; I775-L779 WeakPolarHBondContact O-CG 3.33Å; I775-L779 PolarHBondContact O-N 2.8Å; I775-F808 HydrophobicContact CD1-CD1 4.17Å; I775-F808 HydrophobicContact CD1-CE1 4.21Å; I775-L814 HydrophobicContact CD1-CD2 3.79Å
776	C	86.7	Confident	86.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-39	179.2	-65	0	0	0	0	112	A772 E773 E780 C781 G782 C837	A772-C776 PolarHBondContact O-N 2.79Å; A772-C776 PolarHBondContact O-SG 2.7Å; A772-C776 VanDerWaalsContact O-SG 3.41Å; E773-C776 PolarHBondContact O-N 3.27Å; C776-E780 PolarHBondContact O-N 3.17Å; C776-C781 PolarHBondContact O-N 2.91Å; C776-G782 CarbonylContact C-O 3.47Å; C776-G782 WeakPolarHBondContact CB-O 3.43Å; C776-C837 WeakPolarHBondContact CA-SG 3.33Å; C776-C837 HydrophobicContact CB-CB 3.68Å; C776-C837 WeakPolarHBondContact CB-SG 3.14Å; C776-C837 WeakPolarHBondContact SG-CB 3.42Å; C776-C837 CovalentContact SG-SG 2.03Å; C776-C837 PolarHBondContact SG-SG 3.45Å
777	Q	84.4	Confident	86.8	Confident	100 Å²	100	41.6 Å²	41.6	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-68.4	-41.8	174.8	-71.9	178.1	7.8	0	0	112.6	E773 I775 L779 E780	E773-Q777 HydrophobicContact CG-CG 4.48Å; E773-Q777 WeakPolarHBondContact O-CB 3.14Å; E773-Q777 VanDerWaalsContact O-CG 3.25Å; E773-Q777 WeakPolarHBondContact O-CG 3.48Å; E773-Q777 PolarHBondContact O-N 3.22Å; E773-Q777 PolarHBondContact OE1-NE2 3.29Å; I775-Q777 VanDerWaalsContact C-N 3.3Å; I775-Q777 PolarHBondContact O-N 3.41Å; Q777-L779 VanDerWaalsContact C-N 3.33Å; Q777-L779 PolarHBondContact O-N 2.87Å; Q777-E780 PolarHBondContact O-N 2.99Å
778	L	83.6	Confident	86.6	Confident	20 Å²	20	41.2 Å²	41.2	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-39.8	178.4	-178.5	67.6	0	0	0	112.2	V738 V774 I775 E780 L811 L814	V738-L778 HydrophobicContact CB-CD2 4.01Å; V738-L778 HydrophobicContact CG2-CD2 3.78Å; V774-L778 WeakPolarHBondContact O-CB 3.45Å; V774-L778 PolarHBondContact O-N 3.37Å; I775-L778 PolarHBondContact O-N 3.18Å; L778-E780 PolarHBondContact O-N 2.88Å; L778-L811 HydrophobicContact CB-CD1 3.65Å; L778-L811 HydrophobicContact CD1-CD1 3.66Å; L778-L811 HydrophobicContact CD1-CD2 4.34Å; L778-L811 HydrophobicContact CD1-CG 3.99Å; L778-L811 HydrophobicContact CG-CD1 4.25Å; L778-L814 HydrophobicContact CD2-CD2 3.92Å
779	L	81.6	Confident	86.5	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.052	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	3.1	179.9	-63.2	176.1	0	0	0	113.3	L736 L740 I775 Q777 C781	L736-L779 HydrophobicContact CD1-CD2 3.97Å; L740-L779 HydrophobicContact CD1-CD1 3.86Å; L740-L779 HydrophobicContact CD2-CD1 4.46Å; L740-L779 HydrophobicContact CG-CD1 3.64Å; I775-L779 HydrophobicContact CG2-CD1 3.83Å; I775-L779 HydrophobicContact CG2-CG 4.41Å; I775-L779 WeakPolarHBondContact O-CG 3.33Å; I775-L779 PolarHBondContact O-N 2.8Å; Q777-L779 VanDerWaalsContact C-N 3.33Å; Q777-L779 PolarHBondContact O-N 2.87Å; L779-C781 HydrophobicContact CB-CB 4.42Å; L779-C781 PolarHBondContact O-N 2.98Å
780	E	77.1	Confident	86.5	Confident	82 Å²	82	37.4 Å²	37.4	38%	0.383	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.9	-173.6	-60.1	-175.4	-171.1	0	0	112.7	K681 C776 Q777 L778 G782	K681-E780 IonicContact NZ-OE1 3.99Å; K681-E780 PolarHBondContact NZ-OE1 2.96Å; K681-E780 IonicContact NZ-OE2 2.72Å; K681-E780 PolarHBondContact NZ-OE2 3.35Å; C776-E780 PolarHBondContact O-N 3.17Å; Q777-E780 PolarHBondContact O-N 2.99Å; L778-E780 PolarHBondContact O-N 2.88Å; E780-G782 VanDerWaalsContact C-N 3.34Å
781	C	75.1	Confident	86.5	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.02	20%	0.197	C	C	.	.			trans	-92.9	9.3	179.1	-77.3	0	0	0	0	113.4	C747 C776 L779 C837 A838 D839	C747-C781 WeakPolarHBondContact CA-SG 3.49Å; C747-C781 HydrophobicContact CB-CB 3.63Å; C747-C781 WeakPolarHBondContact CB-SG 3.41Å; C747-C781 WeakPolarHBondContact SG-CB 3.39Å; C747-C781 CovalentContact SG-SG 2.05Å; C747-C781 PolarHBondContact SG-SG 2.87Å; C776-C781 PolarHBondContact O-N 2.91Å; L779-C781 HydrophobicContact CB-CB 4.42Å; L779-C781 PolarHBondContact O-N 2.98Å; C781-C837 HydrophobicContact CB-CB 3.6Å; C781-C837 WeakPolarHBondContact O-CB 2.76Å; C781-A838 CarbonylContact O-C 3.53Å; C781-D839 PolarHBondContact O-N 3.49Å
782	G	74.6	Confident	86.4	Confident	9 Å²	9	39.4 Å²	39.4	9%	0.093	22%	0.221	C	C	.	.			trans	81.8	-135.9	-179.1	0	0	0	0	0	114.9	C776 E780 A838 L840	C776-G782 CarbonylContact C-O 3.47Å; C776-G782 WeakPolarHBondContact CB-O 3.43Å; E780-G782 VanDerWaalsContact C-N 3.34Å; G782-A838 CarbonylContact C-O 3.54Å; G782-A838 WeakPolarHBondContact CA-O 3.46Å; G782-L840 VanDerWaalsContact CA-CD1 3.44Å
783	H	79.9	Confident	86.3	Confident	90 Å²	90	41 Å²	41	42%	0.417	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	159.8	-175.6	-68.3	-57.9	0	0	0	112.1	E773 C837 A838 L840	E773-H783 IonicContact OE1-CE1 3.88Å; E773-H783 IonicContact OE1-CG 2.83Å; E773-H783 IonicContact OE1-ND1 2.74Å; E773-H783 PolarHBondContact OE1-ND1 2.98Å; E773-H783 WeakPolarHBondContact OE2-CA 3.29Å; E773-H783 IonicContact OE2-ND1 3.1Å; H783-C837 CarbonylContact O-C 3.49Å; H783-C837 WeakPolarHBondContact O-CA 3.33Å; H783-A838 PolarHBondContact N-O 3.4Å; H783-A838 PolarHBondContact O-N 3Å; H783-L840 VanDerWaalsContact CD2-CD1 3.48Å; H783-L840 WeakPolarHBondContact CD2-CD1 2.97Å; H783-L840 VanDerWaalsContact CD2-CG 3.46Å; H783-L840 WeakPolarHBondContact CD2-CG 2.86Å; H783-L840 WeakPolarHBondContact NE2-CG 3.09Å
784	T	83.9	Confident	86.4	Confident	25 Å²	25	40.7 Å²	40.7	15%	0.153	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128	178.2	-50.7	0	0	0	0	111.2	E769 A772 E773	E769-T784 HydrophobicContact CB-CG2 4.39Å; E769-T784 PolarHBondContact O-OG1 2.98Å; A772-T784 VanDerWaalsContact C-OG1 3.28Å; A772-T784 HydrophobicContact CB-CG2 3.68Å; E773-T784 WeakPolarHBondContact CA-OG1 2.99Å; E773-T784 WeakPolarHBondContact CB-OG1 3.22Å; E773-T784 PolarHBondContact N-OG1 3.09Å; E773-T784 WeakPolarHBondContact OE2-CB 3.43Å; E773-T784 PolarHBondContact OE2-N 2.88Å; E773-T784 PolarHBondContact OE2-OG1 2.71Å
785	L	83.8	Confident	86.6	Confident	99 Å²	99	45.4 Å²	45.4	52%	0.518	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-41.9	165.2	-69.3	180	0	0	0	111.9	I836 A838	L785-I836 HydrophobicContact CB-CG2 4.22Å; L785-I836 WeakPolarHBondContact CB-O 3.41Å; L785-I836 HydrophobicContact CD1-CG2 4.2Å; L785-I836 PolarHBondContact N-O 2.86Å; L785-A838 HydrophobicContact CD1-CB 3.67Å; L785-A838 HydrophobicContact CD2-CB 3.52Å; L785-A838 HydrophobicContact CG-CB 3.4Å
786	N	85.4	Confident	86.5	Confident	76 Å²	76	46.2 Å²	46.2	41%	0.406	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	149.5	-176.4	-163.5	0.1	0	0	0	111.6	P788 I836	N786-P788 VanDerWaalsContact C-CD 3.45Å; N786-P788 WeakPolarHBondContact O-CD 3.31Å; N786-I836 HydrophobicContact CB-CB 4.21Å; N786-I836 HydrophobicContact CB-CD1 4.21Å; N786-I836 HydrophobicContact CB-CG1 4.47Å; N786-I836 PolarHBondContact N-O 3.15Å; N786-I836 VanDerWaalsContact N-O 3.16Å; N786-I836 PolarHBondContact O-N 2.84Å
787	A	93.1	Very high	86.6	Confident	19 Å²	19	52.1 Å²	52.1	16%	0.157	30%	0.296	C	S	.	.			trans	-120.7	72.4	176.9	0	0	0	0	0	110.7	E769 A772	E769-A787 HydrophobicContact CG-CB 4.02Å; A772-A787 HydrophobicContact CB-CB 3.76Å
788	P	91.1	Very high	86.8	Confident	15 Å²	15	50 Å²	50	10%	0.097	30%	0.302	C	S	.	.			trans	-67.6	142.7	-175.5	26.9	-34.8	0	0	0	112.6	N786 H792 F793 G834 I836	N786-P788 VanDerWaalsContact C-CD 3.45Å; N786-P788 WeakPolarHBondContact O-CD 3.31Å; P788-H792 HydrophobicContact CB-CB 3.77Å; P788-H792 HydrophobicContact CG-CB 4.33Å; P788-F793 HydrophobicContact CG-CD2 4.35Å; P788-F793 HydrophobicContact CG-CE2 3.59Å; P788-F793 HydrophobicContact CG-CZ 4.38Å; P788-G834 WeakPolarHBondContact CD-O 3.4Å; P788-G834 WeakPolarHBondContact O-CA 3.31Å; P788-G834 PolarHBondContact O-N 2.69Å; P788-I836 HydrophobicContact CG-CD1 4.38Å; P788-I836 HydrophobicContact CG-CG1 4.33Å
789	G	92.4	Very high	87.1	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	31%	0.313	S	S	.	.			trans	-107.1	-158.4	171.5	0	0	0	0	0	112.6	A791 H792	G789-A791 PolarHBondContact O-N 2.93Å; G789-A791 VanDerWaalsContact O-N 3.16Å; G789-H792 PolarHBondContact O-N 3.07Å
790	A	91.9	Very high	87.8	Confident	70 Å²	70	51.7 Å²	51.7	58%	0.579	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37	172.2	0	0	0	0	0	114.6	D764 H792 E830	D764-A790 PolarHBondContact OD2-N 2.86Å; A790-H792 VanDerWaalsContact C-N 3.28Å; A790-H792 PolarHBondContact O-N 3.37Å; A790-E830 CarbonylContact C-O 3.49Å; A790-E830 WeakPolarHBondContact CA-O 3.27Å
791	A	91.1	Very high	88.6	Confident	16 Å²	16	47.8 Å²	47.8	13%	0.132	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.1	-179.7	0	0	0	0	0	113.8	G789 F793 G794 Q795 H829 E830 D832	G789-A791 PolarHBondContact O-N 2.93Å; G789-A791 VanDerWaalsContact O-N 3.16Å; A791-F793 PolarHBondContact O-N 2.81Å; A791-G794 WeakPolarHBondContact O-CA 3.42Å; A791-G794 PolarHBondContact O-N 2.03Å; A791-Q795 HydrophobicContact CB-CG 3.91Å; A791-H829 WeakPolarHBondContact CB-O 3.38Å; A791-E830 PolarHBondContact N-O 2.03Å; A791-D832 WeakPolarHBondContact CA-O 3.3Å; A791-D832 HydrophobicContact CB-CB 4.41Å; A791-D832 PolarHBondContact N-O 2.98Å
792	H	93.1	Very high	89.5	Confident	121 Å²	121	51.9 Å²	51.9	56%	0.56	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-36.2	178.7	178.8	-92.7	0	0	0	113.9	P788 G789 A790 G794	P788-H792 HydrophobicContact CB-CB 3.77Å; P788-H792 HydrophobicContact CG-CB 4.33Å; G789-H792 PolarHBondContact O-N 3.07Å; A790-H792 VanDerWaalsContact C-N 3.28Å; A790-H792 PolarHBondContact O-N 3.37Å; H792-G794 VanDerWaalsContact C-N 3.34Å
793	F	91.3	Very high	90.3	Very high	33 Å²	33	51.6 Å²	51.6	15%	0.145	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	24.2	177.7	-62.1	-74.3	0	0	0	113.3	K742 G749 R750 P788 A791 I836	K742-F793 WeakPolarHBondContact CB-O 3.29Å; G749-F793 WeakPolarHBondContact O-CD2 3.3Å; G749-F793 WeakPolarHBondContact O-CE2 3.33Å; R750-F793 HydrophobicContact CB-CB 4.1Å; R750-F793 PolarHBondContact NH1-O 3.34Å; R750-F793 VanDerWaalsContact NH1-O 3.17Å; P788-F793 HydrophobicContact CG-CD2 4.35Å; P788-F793 HydrophobicContact CG-CE2 3.59Å; P788-F793 HydrophobicContact CG-CZ 4.38Å; A791-F793 PolarHBondContact O-N 2.81Å; F793-I836 HydrophobicContact CE2-CG1 4.2Å; F793-I836 HydrophobicContact CZ-CD1 3.97Å; F793-I836 HydrophobicContact CZ-CG1 3.77Å
794	G	92.1	Very high	90.8	Very high	31 Å²	31	48.5 Å²	48.5	32%	0.32	30%	0.299	S	S	.	.			trans	77.4	161.6	-173.4	0	0	0	0	0	113.5	R750 A791 H792	R750-G794 PolarHBondContact NH1-O 3.39Å; A791-G794 WeakPolarHBondContact O-CA 3.42Å; A791-G794 PolarHBondContact O-N 2.03Å; H792-G794 VanDerWaalsContact C-N 3.34Å
795	Q	94.6	Very high	91	Very high	108 Å²	108	52.8 Å²	52.8	51%	0.505	32%	0.321	S	S	.	.			trans	-71.3	140.6	179.9	-61.6	-173.4	2.8	0	0	111.2	K742 A791 H829	K742-Q795 PolarHBondContact NZ-O 3.03Å; K742-Q795 VanDerWaalsContact NZ-O 3.15Å; A791-Q795 HydrophobicContact CB-CG 3.91Å; Q795-H829 HydrophobicContact CB-CB 3.92Å; Q795-H829 HydrophobicContact CG-CB 4.23Å; Q795-H829 WeakPolarHBondContact CG-O 3.4Å
796	G	90.5	Very high	91.2	Very high	17 Å²	17	51.9 Å²	51.9	18%	0.175	32%	0.323	C	S	.	.			trans	-87.4	-159.5	171.4	0	0	0	0	0	112.6	D832	G796-D832 WeakPolarHBondContact CA-OD2 3.49Å; G796-D832 PolarHBondContact N-OD2 2.89Å
797	N	87.8	Confident	91.4	Very high	124 Å²	124	48.4 Å²	48.4	66%	0.663	31%	0.305	S	S	*	.			trans	-138.9	169.5	176.8	73.6	20	0	0	0	110.6	H829	N797-H829 PolarHBondContact O-CE1 2.9Å
798	G	88.1	Confident	91.4	Very high	56 Å²	56	47.5 Å²	47.5	58%	0.577	30%	0.297	S	S	*	.	S	Bend	trans	83.4	-144.4	174.3	0	0	0	0	0	113.4	H829	G798-H829 PolarHBondContact O-NE2 2.77Å
799	T	91.6	Very high	91.3	Very high	54 Å²	54	49 Å²	49	33%	0.331	32%	0.315	S	S	.	.			trans	-91.7	138.2	-176.9	50.9	0	0	0	0	111.4	Q760 T761	Q760-T799 WeakPolarHBondContact CA-O 3.35Å; Q760-T799 WeakPolarHBondContact CB-O 3.42Å; Q760-T799 VanDerWaalsContact CD-OG1 3.27Å; Q760-T799 VanDerWaalsContact CG-OG1 3.28Å; Q760-T799 WeakPolarHBondContact CG-OG1 3.34Å; Q760-T799 PolarHBondContact OE1-OG1 3.12Å; T761-T799 PolarHBondContact N-O 2.89Å
800	V	94.5	Very high	91.2	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.6	172.5	-165.9	0	0	0	0	109.8	T761 C763 S825 C827	T761-V800 CarbonylContact O-C 3.42Å; T761-V800 VanDerWaalsContact O-CA 3.32Å; T761-V800 WeakPolarHBondContact O-CA 3.47Å; T761-V800 WeakPolarHBondContact OG1-CG2 3.15Å; C763-V800 HydrophobicContact CB-CG1 3.85Å; V800-S825 WeakPolarHBondContact O-CB 3.34Å; V800-S825 PolarHBondContact O-N 3.43Å; V800-C827 HydrophobicContact CG1-CB 4.2Å; V800-C827 WeakPolarHBondContact CG2-O 3.47Å
801	V	95.4	Very high	90.8	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	156.3	179.7	-57.4	0	0	0	0	112.4	V753 Q760 T761 V762 C763 F808 F822 S823	V753-V801 HydrophobicContact CG2-CG2 3.74Å; Q760-V801 HydrophobicContact CB-CG1 3.95Å; T761-V801 WeakPolarHBondContact O-CG2 3.35Å; T761-V801 PolarHBondContact O-N 3.17Å; V762-V801 HydrophobicContact CB-CG2 4.44Å; V762-V801 HydrophobicContact CG2-CG2 3.96Å; C763-V801 PolarHBondContact N-O 3.49Å; V801-F808 HydrophobicContact CG2-CZ 4.5Å; V801-F822 HydrophobicContact CB-CB 3.87Å; V801-F822 HydrophobicContact CG1-CB 3.58Å; V801-F822 HydrophobicContact CG1-CG 4.32Å; V801-F822 HydrophobicContact CG2-CB 4.34Å; V801-S823 WeakPolarHBondContact CA-O 3.4Å; V801-S823 WeakPolarHBondContact CB-O 3.49Å
802	E	93.9	Very high	90.6	Very high	89 Å²	89	53.8 Å²	53.8	42%	0.416	33%	0.325	S	S	.	.			trans	-76	135.9	176.3	-63.6	-176.1	160.5	0	0	111.2	S804 F808 S823	E802-S804 PolarHBondContact O-N 3.16Å; E802-F808 WeakPolarHBondContact O-CE2 3.38Å; E802-S823 PolarHBondContact N-O 3.13Å
803	A	91.5	Very high	90.4	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	31%	0.307	C	S	.	.			trans	-76	56.2	171.2	0	0	0	0	0	111.9	V762 A766 W767 K771	V762-A803 HydrophobicContact CG1-CB 3.85Å; A766-A803 HydrophobicContact CB-CB 4.31Å; W767-A803 HydrophobicContact CE3-CB 3.75Å; W767-A803 HydrophobicContact CZ3-CB 4.42Å; K771-A803 HydrophobicContact CD-CB 4.41Å; K771-A803 PolarHBondContact NZ-O 2.89Å
804	S	90.4	Very high	90.1	Very high	25 Å²	25	47.8 Å²	47.8	18%	0.175	30%	0.301	C	S	.	.			trans	-73.4	148.3	-175.6	73.2	0	0	0	0	112.7	E802 S806 C807 F808	E802-S804 PolarHBondContact O-N 3.16Å; S804-S806 PolarHBondContact O-N 3.02Å; S804-S806 PolarHBondContact OG-OG 2.99Å; S804-C807 PolarHBondContact O-N 2.66Å; S804-F808 PolarHBondContact O-N 2.87Å
805	D	87.8	Confident	89.7	Confident	114 Å²	114	49.9 Å²	49.9	61%	0.61	30%	0.302	S	S	*	.	H	α-helix	trans	-65.4	-23.4	176.4	-61.6	-23.6	0	0	0	112.4	K771 C807 G809	K771-D805 WeakPolarHBondContact CE-OD1 3.36Å; K771-D805 IonicContact NZ-OD1 3.69Å; K771-D805 PolarHBondContact NZ-OD1 3.07Å; D805-C807 VanDerWaalsContact C-N 3.26Å; D805-C807 PolarHBondContact O-N 2.94Å; D805-G809 WeakPolarHBondContact O-CA 3.31Å; D805-G809 PolarHBondContact O-N 2.98Å; D805-G809 VanDerWaalsContact O-N 3.12Å
806	S	87.9	Confident	89.3	Confident	80 Å²	80	50.7 Å²	50.7	56%	0.559	30%	0.304	S	S	*	.	H	α-helix	trans	-66.5	-27.2	176.6	63.7	0	0	0	0	113.1	S804 S813	S804-S806 PolarHBondContact O-N 3.02Å; S804-S806 PolarHBondContact OG-OG 2.99Å; S806-S813 VanDerWaalsContact O-CB 3.22Å; S806-S813 WeakPolarHBondContact O-CB 3.12Å; S806-S813 PolarHBondContact O-OG 2.87Å
807	C	89.4	Confident	89.3	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-108.6	-38.2	179.7	-64.1	0	0	0	0	112.6	S804 D805 S813 L814 C817 F822	S804-C807 PolarHBondContact O-N 2.66Å; D805-C807 VanDerWaalsContact C-N 3.26Å; D805-C807 PolarHBondContact O-N 2.94Å; C807-S813 CarbonylContact O-C 3.43Å; C807-L814 WeakPolarHBondContact O-CA 3.44Å; C807-L814 VanDerWaalsContact O-CB 3.28Å; C807-L814 WeakPolarHBondContact O-CB 3.45Å; C807-L814 PolarHBondContact O-N 3.07Å; C807-C817 WeakPolarHBondContact CA-SG 3.28Å; C807-C817 HydrophobicContact CB-CB 3.67Å; C807-C817 WeakPolarHBondContact CB-SG 3.12Å; C807-C817 WeakPolarHBondContact SG-CB 3.32Å; C807-C817 CovalentContact SG-SG 2.04Å; C807-C817 PolarHBondContact SG-SG 2.63Å; C807-F822 HydrophobicContact CB-CD1 4.11Å; C807-F822 HydrophobicContact CB-CE1 4.09Å
808	F	93.1	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-103.4	10.7	-174.7	-64.1	-89.3	0	0	0	113.8	V753 V762 W767 K771 V774 I775 V801 E802 S804 L814 F822	V753-F808 HydrophobicContact CG1-CE1 3.76Å; V753-F808 HydrophobicContact CG1-CZ 3.79Å; V762-F808 HydrophobicContact CG1-CE1 4.38Å; V762-F808 HydrophobicContact CG1-CE2 4.36Å; V762-F808 HydrophobicContact CG1-CZ 3.97Å; V762-F808 HydrophobicContact CG2-CE1 4.05Å; V762-F808 HydrophobicContact CG2-CZ 3.7Å; W767-F808 HydrophobicContact CH2-CD1 4.07Å; W767-F808 HydrophobicContact CH2-CE1 4.32Å; W767-F808 AromaticContact CZ3-CD1 3.61Å; W767-F808 HydrophobicContact CZ3-CD1 3.61Å; W767-F808 AromaticContact CZ3-CE1 3.92Å; W767-F808 HydrophobicContact CZ3-CE1 3.92Å; W767-F808 HydrophobicContact CZ3-CG 4.11Å; K771-F808 HydrophobicContact CB-CB 4.11Å; K771-F808 HydrophobicContact CD-CB 4.14Å; K771-F808 HydrophobicContact CG-CB 3.92Å; V774-F808 WeakPolarHBondContact CG2-O 3.41Å; I775-F808 HydrophobicContact CD1-CD1 4.17Å; I775-F808 HydrophobicContact CD1-CE1 4.21Å; V801-F808 HydrophobicContact CG2-CZ 4.5Å; E802-F808 WeakPolarHBondContact O-CE2 3.38Å; S804-F808 PolarHBondContact O-N 2.87Å; F808-L814 HydrophobicContact CD1-CD1 3.84Å; F808-L814 HydrophobicContact CE1-CD1 3.74Å; F808-L814 HydrophobicContact CG-CD1 4.47Å; F808-L814 HydrophobicContact CZ-CD1 4.27Å; F808-F822 HydrophobicContact CE2-CD1 4.29Å; F808-F822 HydrophobicContact CE2-CE1 4.32Å; F808-F822 HydrophobicContact CZ-CD1 4.45Å; F808-F822 HydrophobicContact CZ-CE1 4.19Å
809	G	88.1	Confident	88.9	Confident	46 Å²	46	48 Å²	48	47%	0.474	28%	0.278	S	S	.	.	S	Bend	trans	-79.2	-25.3	-179	0	0	0	0	0	115.2	D805	D805-G809 WeakPolarHBondContact O-CA 3.31Å; D805-G809 PolarHBondContact O-N 2.98Å; D805-G809 VanDerWaalsContact O-N 3.12Å
810	N	90.1	Very high	88.5	Confident	75 Å²	75	51.8 Å²	51.8	40%	0.401	30%	0.296	S	S	.	.	S	Bend	trans	-164.9	169.5	175.1	62.4	72.4	0	0	0	110.9	V774 T812 S813 L814	V774-N810 VanDerWaalsContact CG1-C 3.5Å; N810-T812 PolarHBondContact O-N 2.91Å; N810-T812 WeakPolarHBondContact OD1-CB 3.31Å; N810-T812 PolarHBondContact OD1-N 2.68Å; N810-T812 VanDerWaalsContact OD1-N 3.08Å; N810-S813 PolarHBondContact ND2-OG 3.49Å; N810-S813 WeakPolarHBondContact O-CB 3.47Å; N810-S813 PolarHBondContact O-N 3.18Å; N810-S813 PolarHBondContact OD1-N 3.49Å; N810-L814 PolarHBondContact O-N 2.81Å; N810-L814 VanDerWaalsContact O-N 3.14Å
811	L	84.7	Confident	88.1	Confident	63 Å²	63	52.1 Å²	52.1	33%	0.33	30%	0.302	S	S	.	.	H	α-helix	trans	-54.8	-48.5	-177.7	-151.3	94.1	0	0	0	113	L778 S813 L814 Q815	L778-L811 HydrophobicContact CB-CD1 3.65Å; L778-L811 HydrophobicContact CD1-CD1 3.66Å; L778-L811 HydrophobicContact CD1-CD2 4.34Å; L778-L811 HydrophobicContact CD1-CG 3.99Å; L778-L811 HydrophobicContact CG-CD1 4.25Å; L811-S813 VanDerWaalsContact C-N 3.33Å; L811-S813 PolarHBondContact O-N 2.95Å; L811-L814 WeakPolarHBondContact O-CB 3.26Å; L811-L814 PolarHBondContact O-N 2.69Å; L811-Q815 WeakPolarHBondContact O-CG 3.41Å; L811-Q815 PolarHBondContact O-N 3.48Å
812	T	86.8	Confident	88	Confident	75 Å²	75	53.4 Å²	53.4	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-37.5	-177.1	-48.6	0	0	0	0	112.3	N810 K816	N810-T812 PolarHBondContact O-N 2.91Å; N810-T812 WeakPolarHBondContact OD1-CB 3.31Å; N810-T812 PolarHBondContact OD1-N 2.68Å; N810-T812 VanDerWaalsContact OD1-N 3.08Å; T812-K816 HydrophobicContact CG2-CD 4.41Å; T812-K816 WeakPolarHBondContact O-CB 3.45Å; T812-K816 VanDerWaalsContact O-CG 3.26Å; T812-K816 WeakPolarHBondContact O-CG 3.39Å; T812-K816 PolarHBondContact O-N 3.02Å
813	S	87.8	Confident	87.9	Confident	28 Å²	28	52.2 Å²	52.2	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-42.4	175.3	-85.9	0	0	0	0	111.7	S806 C807 N810 L811 K816 C817	S806-S813 VanDerWaalsContact O-CB 3.22Å; S806-S813 WeakPolarHBondContact O-CB 3.12Å; S806-S813 PolarHBondContact O-OG 2.87Å; C807-S813 CarbonylContact O-C 3.43Å; N810-S813 PolarHBondContact ND2-OG 3.49Å; N810-S813 WeakPolarHBondContact O-CB 3.47Å; N810-S813 PolarHBondContact O-N 3.18Å; N810-S813 PolarHBondContact OD1-N 3.49Å; L811-S813 VanDerWaalsContact C-N 3.33Å; L811-S813 PolarHBondContact O-N 2.95Å; S813-K816 PolarHBondContact O-N 3.13Å; S813-C817 PolarHBondContact O-N 3.29Å; S813-C817 PolarHBondContact O-SG 2.79Å
814	L	86.8	Confident	87.8	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-46.5	-179.1	-172.7	60.7	0	0	0	111.2	V738 V774 I775 L778 C807 F808 N810 L811 K816 C817 S818 F822	V738-L814 HydrophobicContact CG2-CD1 4.37Å; V738-L814 HydrophobicContact CG2-CD2 3.77Å; V738-L814 HydrophobicContact CG2-CG 4.2Å; V774-L814 HydrophobicContact CG1-CD2 3.93Å; I775-L814 HydrophobicContact CD1-CD2 3.79Å; L778-L814 HydrophobicContact CD2-CD2 3.92Å; C807-L814 WeakPolarHBondContact O-CA 3.44Å; C807-L814 VanDerWaalsContact O-CB 3.28Å; C807-L814 WeakPolarHBondContact O-CB 3.45Å; C807-L814 PolarHBondContact O-N 3.07Å; F808-L814 HydrophobicContact CD1-CD1 3.84Å; F808-L814 HydrophobicContact CE1-CD1 3.74Å; F808-L814 HydrophobicContact CG-CD1 4.47Å; F808-L814 HydrophobicContact CZ-CD1 4.27Å; N810-L814 PolarHBondContact O-N 2.81Å; N810-L814 VanDerWaalsContact O-N 3.14Å; L811-L814 WeakPolarHBondContact O-CB 3.26Å; L811-L814 PolarHBondContact O-N 2.69Å; L814-K816 VanDerWaalsContact C-N 3.33Å; L814-K816 PolarHBondContact O-N 2.9Å; L814-C817 PolarHBondContact O-N 2.74Å; L814-S818 PolarHBondContact O-N 2.88Å; L814-F822 HydrophobicContact CD1-CE1 4.06Å; L814-F822 HydrophobicContact CD1-CZ 4.31Å
815	Q	83.8	Confident	87.7	Confident	74 Å²	74	61.2 Å²	61.2	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-59.7	-42.3	174.3	-68.4	-179.5	-41.9	0	0	111.9	L811 C817 S818 V819	L811-Q815 WeakPolarHBondContact O-CG 3.41Å; L811-Q815 PolarHBondContact O-N 3.48Å; Q815-C817 PolarHBondContact O-N 2.83Å; Q815-S818 WeakPolarHBondContact O-CB 3.45Å; Q815-S818 PolarHBondContact O-N 2.69Å; Q815-V819 PolarHBondContact O-N 2.82Å
816	K	86.3	Confident	87.9	Confident	125 Å²	125	62.7 Å²	62.7	54%	0.543	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-38.8	175	-79.5	172.1	179.1	175	0	113.2	T812 S813 L814 S818 V819 N820	T812-K816 HydrophobicContact CG2-CD 4.41Å; T812-K816 WeakPolarHBondContact O-CB 3.45Å; T812-K816 VanDerWaalsContact O-CG 3.26Å; T812-K816 WeakPolarHBondContact O-CG 3.39Å; T812-K816 PolarHBondContact O-N 3.02Å; S813-K816 PolarHBondContact O-N 3.13Å; L814-K816 VanDerWaalsContact C-N 3.33Å; L814-K816 PolarHBondContact O-N 2.9Å; K816-S818 VanDerWaalsContact C-N 3.34Å; K816-V819 PolarHBondContact O-N 3.41Å; K816-N820 WeakPolarHBondContact O-CB 3.47Å; K816-N820 PolarHBondContact O-N 2.95Å; K816-N820 PolarHBondContact O-ND2 2.99Å; K816-N820 VanDerWaalsContact O-ND2 3.1Å
817	C	88.7	Confident	88	Confident	15 Å²	15	60.2 Å²	60.2	10%	0.101	34%	0.338	C	S	.	.	H	α-helix	trans	-73.9	-27.8	176.6	-69.4	0	0	0	0	112.2	C807 S813 L814 Q815 V819 G821 F822	C807-C817 WeakPolarHBondContact CA-SG 3.28Å; C807-C817 HydrophobicContact CB-CB 3.67Å; C807-C817 WeakPolarHBondContact CB-SG 3.12Å; C807-C817 WeakPolarHBondContact SG-CB 3.32Å; C807-C817 CovalentContact SG-SG 2.04Å; C807-C817 PolarHBondContact SG-SG 2.63Å; S813-C817 PolarHBondContact O-N 3.29Å; S813-C817 PolarHBondContact O-SG 2.79Å; L814-C817 PolarHBondContact O-N 2.74Å; Q815-C817 PolarHBondContact O-N 2.83Å; C817-V819 PolarHBondContact O-N 2.8Å; C817-G821 CarbonylContact O-C 3.56Å; C817-G821 WeakPolarHBondContact O-CA 3.32Å; C817-G821 PolarHBondContact O-N 2.78Å; C817-F822 HydrophobicContact CB-CD1 3.81Å; C817-F822 HydrophobicContact CB-CE1 3.54Å; C817-F822 HydrophobicContact CB-CG 4.43Å; C817-F822 HydrophobicContact CB-CZ 3.93Å
818	S	85.5	Confident	88.1	Confident	13 Å²	13	61.2 Å²	61.2	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-34.5	171	-171.3	0	0	0	0	112	E737 R754 H755 L814 Q815 K816	E737-S818 WeakPolarHBondContact CG-OG 3.35Å; R754-S818 WeakPolarHBondContact O-CA 3.48Å; R754-S818 WeakPolarHBondContact O-CB 3.3Å; R754-S818 PolarHBondContact O-OG 3.21Å; H755-S818 PolarHBondContact CD2-O 2.95Å; H755-S818 VanDerWaalsContact CD2-O 3.29Å; L814-S818 PolarHBondContact O-N 2.88Å; Q815-S818 WeakPolarHBondContact O-CB 3.45Å; Q815-S818 PolarHBondContact O-N 2.69Å; K816-S818 VanDerWaalsContact C-N 3.34Å
819	V	82.3	Confident	88.2	Confident	112 Å²	112	63.1 Å²	63.1	68%	0.679	36%	0.357	S	S	*	.	H	α-helix	trans	-82.8	-45	176.5	179.2	0	0	0	0	112.6	Q815 K816 C817	Q815-V819 PolarHBondContact O-N 2.82Å; K816-V819 PolarHBondContact O-N 3.41Å; C817-V819 PolarHBondContact O-N 2.8Å
820	N	84.6	Confident	88.5	Confident	134 Å²	134	65.6 Å²	65.6	72%	0.717	36%	0.356	S	S	*	.	H	α-helix	trans	-91.4	-9.8	-172.6	-64	-44.3	0	0	0	114	K816	K816-N820 WeakPolarHBondContact O-CB 3.47Å; K816-N820 PolarHBondContact O-N 2.95Å; K816-N820 PolarHBondContact O-ND2 2.99Å; K816-N820 VanDerWaalsContact O-ND2 3.1Å
821	G	86.1	Confident	88.7	Confident	19 Å²	19	65.7 Å²	65.7	20%	0.196	35%	0.354	C	S	.	.			trans	95.2	159.6	-176.8	0	0	0	0	0	115.1	H755 C817	H755-G821 WeakPolarHBondContact CE1-CA 3.42Å; H755-G821 VanDerWaalsContact ND1-CA 3.28Å; H755-G821 WeakPolarHBondContact ND1-CA 3.31Å; C817-G821 CarbonylContact O-C 3.56Å; C817-G821 WeakPolarHBondContact O-CA 3.32Å; C817-G821 PolarHBondContact O-N 2.78Å
822	F	91.5	Very high	89.3	Confident	26 Å²	26	62.8 Å²	62.8	11%	0.114	34%	0.339	C	S	.	.			trans	-104.6	150.8	178.7	-63.3	-89	0	0	0	111.5	V753 H755 V801 C807 F808 L814 C817	V753-F822 HydrophobicContact CB-CE1 4.34Å; V753-F822 HydrophobicContact CB-CE2 4.06Å; V753-F822 HydrophobicContact CB-CZ 3.84Å; V753-F822 HydrophobicContact CG1-CZ 4.47Å; V753-F822 HydrophobicContact CG2-CD1 4.29Å; V753-F822 HydrophobicContact CG2-CD2 4.01Å; V753-F822 HydrophobicContact CG2-CE1 4.09Å; V753-F822 HydrophobicContact CG2-CE2 3.8Å; V753-F822 HydrophobicContact CG2-CG 4.26Å; V753-F822 HydrophobicContact CG2-CZ 3.86Å; H755-F822 HydrophobicContact CB-CD2 4.11Å; H755-F822 HydrophobicContact CB-CE2 4.3Å; V801-F822 HydrophobicContact CB-CB 3.87Å; V801-F822 HydrophobicContact CG1-CB 3.58Å; V801-F822 HydrophobicContact CG1-CG 4.32Å; V801-F822 HydrophobicContact CG2-CB 4.34Å; C807-F822 HydrophobicContact CB-CD1 4.11Å; C807-F822 HydrophobicContact CB-CE1 4.09Å; F808-F822 HydrophobicContact CE2-CD1 4.29Å; F808-F822 HydrophobicContact CE2-CE1 4.32Å; F808-F822 HydrophobicContact CZ-CD1 4.45Å; F808-F822 HydrophobicContact CZ-CE1 4.19Å; L814-F822 HydrophobicContact CD1-CE1 4.06Å; L814-F822 HydrophobicContact CD1-CZ 4.31Å; C817-F822 HydrophobicContact CB-CD1 3.81Å; C817-F822 HydrophobicContact CB-CE1 3.54Å; C817-F822 HydrophobicContact CB-CG 4.43Å; C817-F822 HydrophobicContact CB-CZ 3.93Å
823	S	92.1	Very high	89.8	Confident	64 Å²	64	59.2 Å²	59.2	45%	0.448	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-71.2	129.6	172.5	-63.9	0	0	0	0	110.7	V801 E802	V801-S823 WeakPolarHBondContact CA-O 3.4Å; V801-S823 WeakPolarHBondContact CB-O 3.49Å; E802-S823 PolarHBondContact N-O 3.13Å
824	R	89.4	Confident	90.2	Very high	199 Å²	199	58 Å²	58	75%	0.751	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-70.7	133.9	178.2	-171.2	178.1	-177.8	176.9	3.2	110.8
825	S	89.8	Confident	90.5	Very high	18 Å²	18	58 Å²	58	13%	0.126	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-91.1	162.6	176.2	-174	0	0	0	0	112.5	V800 C827	V800-S825 WeakPolarHBondContact O-CB 3.34Å; V800-S825 PolarHBondContact O-N 3.43Å; S825-C827 PolarHBondContact OG-N 3.29Å; S825-C827 VanDerWaalsContact OG-N 3.17Å; S825-C827 PolarHBondContact OG-SG 3.07Å
826	T	90.4	Very high	90.7	Very high	146 Å²	146	56.5 Å²	56.5	90%	0.896	30%	0.303	S	S	*	.	S	Bend	trans	-93.3	-3.3	169.7	54.4	0	0	0	0	113.2
827	C	91.1	Very high	90.6	Very high	28 Å²	28	51.1 Å²	51.1	19%	0.189	28%	0.281	C	S	.	.			trans	-68.4	144.7	178.8	-52.9	0	0	0	0	112.2	C763 V800 S825 H831	C763-C827 HydrophobicContact CB-CB 3.6Å; C763-C827 WeakPolarHBondContact CB-SG 3.45Å; C763-C827 WeakPolarHBondContact SG-CB 3.21Å; C763-C827 CovalentContact SG-SG 2.02Å; C763-C827 PolarHBondContact SG-SG 3.36Å; V800-C827 HydrophobicContact CG1-CB 4.2Å; V800-C827 WeakPolarHBondContact CG2-O 3.47Å; S825-C827 PolarHBondContact OG-N 3.29Å; S825-C827 VanDerWaalsContact OG-N 3.17Å; S825-C827 PolarHBondContact OG-SG 3.07Å; C827-H831 HydrophobicContact CB-CB 4.13Å
828	G	91.3	Very high	89.8	Confident	24 Å²	24	51.5 Å²	51.5	25%	0.247	29%	0.285	C	S	.	.			trans	-83.6	170.6	165.3	0	0	0	0	0	112.1	E830 H831	G828-E830 WeakPolarHBondContact CA-OE1 3.01Å; G828-E830 VanDerWaalsContact CA-OE2 3.29Å; G828-E830 WeakPolarHBondContact CA-OE2 3.46Å; G828-E830 PolarHBondContact O-N 3.26Å; G828-H831 WeakPolarHBondContact O-CB 3Å; G828-H831 PolarHBondContact O-N 3.35Å
829	H	94.8	Very high	88.3	Confident	40 Å²	40	54.8 Å²	54.8	19%	0.185	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-68.4	-15.1	-177.6	-71.6	-61.7	0	0	0	114	T761 A791 Q795 N797 G798 H831 D832	T761-H829 PolarHBondContact OG1-ND1 2.84Å; A791-H829 WeakPolarHBondContact CB-O 3.38Å; Q795-H829 HydrophobicContact CB-CB 3.92Å; Q795-H829 HydrophobicContact CG-CB 4.23Å; Q795-H829 WeakPolarHBondContact CG-O 3.4Å; N797-H829 PolarHBondContact O-CE1 2.9Å; G798-H829 PolarHBondContact O-NE2 2.77Å; H829-H831 PolarHBondContact O-N 2.02Å; H829-D832 IonicContact CG-OD2 3.79Å; H829-D832 IonicContact ND1-OD1 3.91Å; H829-D832 PolarHBondContact ND1-OD1 2.93Å; H829-D832 IonicContact ND1-OD2 2.69Å; H829-D832 PolarHBondContact ND1-OD2 2.94Å; H829-D832 WeakPolarHBondContact O-CB 3.47Å; H829-D832 VanDerWaalsContact O-CG 3.24Å; H829-D832 PolarHBondContact O-N 3.17Å
830	E	94.4	Very high	86.3	Confident	99 Å²	99	53.8 Å²	53.8	46%	0.463	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.6	-15.6	168.6	68.8	-76.6	179	0	0	113.3	A790 A791 G828	A790-E830 CarbonylContact C-O 3.49Å; A790-E830 WeakPolarHBondContact CA-O 3.27Å; A791-E830 PolarHBondContact N-O 2.03Å; G828-E830 WeakPolarHBondContact CA-OE1 3.01Å; G828-E830 VanDerWaalsContact CA-OE2 3.29Å; G828-E830 WeakPolarHBondContact CA-OE2 3.46Å; G828-E830 PolarHBondContact O-N 3.26Å
831	H	95.3	Very high	84	Confident	77 Å²	77	55.6 Å²	55.6	36%	0.356	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-110	20.9	178.5	-71.4	-64.2	0	0	0	112.9	D764 C827 G828 H829 A833	D764-H831 WeakPolarHBondContact CB-O 3.29Å; D764-H831 PolarHBondContact N-O 2.89Å; D764-H831 WeakPolarHBondContact OD1-CB 3.45Å; D764-H831 IonicContact OD1-CG 3.54Å; D764-H831 IonicContact OD1-ND1 3.27Å; D764-H831 PolarHBondContact OD1-ND1 3.49Å; D764-H831 IonicContact OD2-ND1 2.81Å; D764-H831 PolarHBondContact OD2-ND1 3.21Å; C827-H831 HydrophobicContact CB-CB 4.13Å; G828-H831 WeakPolarHBondContact O-CB 3Å; G828-H831 PolarHBondContact O-N 3.35Å; H829-H831 PolarHBondContact O-N 2.02Å; H831-A833 PolarHBondContact O-N 3.23Å
832	D	96.8	Very high	81.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-66.1	128	177.2	-75.3	-20	0	0	0	111	R750 T761 A791 G796 H829	R750-D832 WeakPolarHBondContact CD-OD2 3.34Å; R750-D832 HydrophobicContact CG-CB 4.14Å; T761-D832 WeakPolarHBondContact CB-OD1 3.35Å; T761-D832 PolarHBondContact OG1-OD1 2.91Å; A791-D832 WeakPolarHBondContact CA-O 3.3Å; A791-D832 HydrophobicContact CB-CB 4.41Å; A791-D832 PolarHBondContact N-O 2.98Å; G796-D832 WeakPolarHBondContact CA-OD2 3.49Å; G796-D832 PolarHBondContact N-OD2 2.89Å; H829-D832 IonicContact CG-OD2 3.79Å; H829-D832 IonicContact ND1-OD1 3.91Å; H829-D832 PolarHBondContact ND1-OD1 2.93Å; H829-D832 IonicContact ND1-OD2 2.69Å; H829-D832 PolarHBondContact ND1-OD2 2.94Å; H829-D832 WeakPolarHBondContact O-CB 3.47Å; H829-D832 VanDerWaalsContact O-CG 3.24Å; H829-D832 PolarHBondContact O-N 3.17Å
833	A	96.9	Very high	79	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.008	36%	0.358	C	S	.	.			trans	-77.2	150.5	178.8	0	0	0	0	0	112.4	R750 V751 V762 D764 W767 H831	R750-A833 WeakPolarHBondContact CA-O 3.39Å; V751-A833 PolarHBondContact N-O 2.79Å; V762-A833 HydrophobicContact CB-CB 4.3Å; V762-A833 HydrophobicContact CG1-CB 4.46Å; V762-A833 VanDerWaalsContact O-CB 3.31Å; V762-A833 WeakPolarHBondContact O-CB 3.22Å; V762-A833 PolarHBondContact O-N 2.79Å; D764-A833 HydrophobicContact CB-CB 4.43Å; W767-A833 HydrophobicContact CB-CB 4.11Å; W767-A833 HydrophobicContact CD2-CB 3.79Å; W767-A833 HydrophobicContact CE3-CB 4.44Å; W767-A833 HydrophobicContact CG-CB 3.59Å; H831-A833 PolarHBondContact O-N 3.23Å
834	G	95.8	Very high	76.1	Confident	2 Å²	2	69.4 Å²	69.4	2%	0.021	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.3	174.5	0	0	0	0	0	112.7	G749 W767 P788	G749-G834 CarbonylContact O-C 3.5Å; G749-G834 WeakPolarHBondContact O-CA 3.39Å; W767-G834 PolarHBondContact NE1-O 3.42Å; P788-G834 WeakPolarHBondContact CD-O 3.4Å; P788-G834 WeakPolarHBondContact O-CA 3.31Å; P788-G834 PolarHBondContact O-N 2.69Å
835	A	94.3	Very high	73.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.4	174.2	0	0	0	0	0	110.1	L740 S748 G749 V751 A772	L740-A835 HydrophobicContact CD1-CB 4.46Å; L740-A835 HydrophobicContact CD2-CB 3.93Å; S748-A835 CarbonylContact C-O 3.29Å; S748-A835 WeakPolarHBondContact CA-O 3.28Å; G749-A835 PolarHBondContact N-O 3.24Å; G749-A835 PolarHBondContact O-N 3.1Å; V751-A835 HydrophobicContact CG2-CB 3.83Å; A772-A835 HydrophobicContact CB-CB 4.13Å
836	I	86.9	Confident	71.3	Confident	43 Å²	43	70.6 Å²	70.6	22%	0.221	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	118.4	170.7	-55.7	178.9	0	0	0	106.4	L785 N786 P788 F793	L785-I836 HydrophobicContact CB-CG2 4.22Å; L785-I836 WeakPolarHBondContact CB-O 3.41Å; L785-I836 HydrophobicContact CD1-CG2 4.2Å; L785-I836 PolarHBondContact N-O 2.86Å; N786-I836 HydrophobicContact CB-CB 4.21Å; N786-I836 HydrophobicContact CB-CD1 4.21Å; N786-I836 HydrophobicContact CB-CG1 4.47Å; N786-I836 PolarHBondContact N-O 3.15Å; N786-I836 VanDerWaalsContact N-O 3.16Å; N786-I836 PolarHBondContact O-N 2.84Å; P788-I836 HydrophobicContact CG-CD1 4.38Å; P788-I836 HydrophobicContact CG-CG1 4.33Å; F793-I836 HydrophobicContact CE2-CG1 4.2Å; F793-I836 HydrophobicContact CZ-CD1 3.97Å; F793-I836 HydrophobicContact CZ-CG1 3.77Å
837	C	85.6	Confident	69	Low	13 Å²	13	70.6 Å²	70.6	9%	0.088	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	158.1	-176.3	-48.2	0	0	0	0	111.4	C747 C776 C781 H783	C747-C837 HydrophobicContact CB-CB 4.2Å; C747-C837 WeakPolarHBondContact O-CB 2.99Å; C747-C837 PolarHBondContact O-N 3.47Å; C776-C837 WeakPolarHBondContact CA-SG 3.33Å; C776-C837 HydrophobicContact CB-CB 3.68Å; C776-C837 WeakPolarHBondContact CB-SG 3.14Å; C776-C837 WeakPolarHBondContact SG-CB 3.42Å; C776-C837 CovalentContact SG-SG 2.03Å; C776-C837 PolarHBondContact SG-SG 3.45Å; C781-C837 HydrophobicContact CB-CB 3.6Å; C781-C837 WeakPolarHBondContact O-CB 2.76Å; H783-C837 CarbonylContact O-C 3.49Å; H783-C837 WeakPolarHBondContact O-CA 3.33Å
838	A	70.3	Confident	67	Low	22 Å²	22	71.7 Å²	71.7	18%	0.182	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.3	171.1	0	0	0	0	0	111	C781 G782 H783 L785	C781-A838 CarbonylContact O-C 3.53Å; G782-A838 CarbonylContact C-O 3.54Å; G782-A838 WeakPolarHBondContact CA-O 3.46Å; H783-A838 PolarHBondContact N-O 3.4Å; H783-A838 PolarHBondContact O-N 3Å; L785-A838 HydrophobicContact CD1-CB 3.67Å; L785-A838 HydrophobicContact CD2-CB 3.52Å; L785-A838 HydrophobicContact CG-CB 3.4Å
839	D	53.7	Low	65.5	Low	82 Å²	82	71.5 Å²	71.5	44%	0.439	39%	0.391	S	S	.	.			trans	-60.5	142	174.8	-96.2	-30.8	0	0	0	112.2	C781	C781-D839 PolarHBondContact O-N 3.49Å
840	L	41.5	Very low	64.4	Low	91 Å²	91	75.3 Å²	75.3	48%	0.476	41%	0.408	S	S	.	.	S	Bend	trans	-63.1	135.6	-173.4	-103	91.4	0	0	0	112.9	G782 H783	G782-L840 VanDerWaalsContact CA-CD1 3.44Å; H783-L840 VanDerWaalsContact CD2-CD1 3.48Å; H783-L840 WeakPolarHBondContact CD2-CD1 2.97Å; H783-L840 VanDerWaalsContact CD2-CG 3.46Å; H783-L840 WeakPolarHBondContact CD2-CG 2.86Å; H783-L840 WeakPolarHBondContact NE2-CG 3.09Å
841	F	36.9	Very low	64.1	Low	173 Å²	173	71.8 Å²	71.8	76%	0.759	39%	0.393	S	S	*	.	S	Bend	trans	88.6	78.4	173.5	-61.4	-82.4	0	0	0	117.1
842	T	35.8	Very low	63.9	Low	119 Å²	119	72.9 Å²	72.9	73%	0.73	39%	0.394	S	S	*	.				167.6	128.2	106.7	38	0	0	0	0	111.1	D844	T842-D844 VanDerWaalsContact C-N 3.33Å; T842-D844 PolarHBondContact O-N 3.49Å
843	C	35.6	Very low	63.8	Low	138 Å²	138	74.2 Å²	74.2	93%	0.932	40%	0.401	S	S	*	.	S	Bend	trans	-86.8	75.5	162.1	-75.4	0	0	0	0	108.6
844	D	31.7	Very low	63.6	Low	141 Å²	141	76.3 Å²	76.3	75%	0.754	41%	0.413	S	S	*	.	S	Bend	trans	-173.7	101.2	150.1	-114.8	-17.9	0	0	0	108.2	T842	T842-D844 VanDerWaalsContact C-N 3.33Å; T842-D844 PolarHBondContact O-N 3.49Å
845	S	39.8	Very low	63.2	Low	96 Å²	96	78.9 Å²	78.9	67%	0.671	44%	0.44	S	S	*	.	S	Bend	trans	54.6	119.2	163.7	-40.4	0	0	0	0	118.4
846	F	37.6	Very low	62.9	Low	147 Å²	147	80.3 Å²	80.3	65%	0.645	45%	0.454	S	S	*	.			trans	88.7	113.3	163.9	-61.6	-84.4	0	0	0	118.1	A848 V925	F846-A848 PolarHBondContact O-N 3.08Å; F846-V925 HydrophobicContact CD1-CB 4.41Å; F846-V925 HydrophobicContact CD1-CG1 4.43Å; F846-V925 HydrophobicContact CD1-CG2 3.55Å; F846-V925 HydrophobicContact CE1-CG1 4.04Å; F846-V925 HydrophobicContact CE1-CG2 3.9Å; F846-V925 HydrophobicContact CG-CG2 4.3Å; F846-V925 HydrophobicContact CZ-CG1 4.47Å
847	H	43.5	Very low	62.7	Low	145 Å²	145	84.4 Å²	84.4	67%	0.671	49%	0.487	S	S	*	.			trans	-68.7	99.9	170.5	-75.4	83.5	0	0	0	110.9	H929	H847-H929 PolarHBondContact O-CE1 3.22Å; H847-H929 PolarHBondContact O-NE2 3.36Å
848	A	49.4	Very low	62.6	Low	51 Å²	51	85.9 Å²	85.9	42%	0.421	50%	0.504	S	S	.	.			trans	-132.3	123.9	169.1	0	0	0	0	0	110	F846 A926	F846-A848 PolarHBondContact O-N 3.08Å; A848-A926 HydrophobicContact CB-CB 3.51Å
849	A	58.5	Low	63.4	Low	21 Å²	21	92.8 Å²	92.8	17%	0.174	53%	0.533	C	S	.	.			trans	-59.7	146	166.6	0	0	0	0	0	109.6	L851 I866 T928	A849-L851 PolarHBondContact O-N 2.95Å; A849-I866 HydrophobicContact CB-CG2 3.34Å; A849-T928 HydrophobicContact CB-CG2 3.69Å
850	Q	72.1	Confident	65.3	Low	119 Å²	119	89.6 Å²	89.6	56%	0.556	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.5	-177.8	-61.4	179.7	-1.8	0	0	109.9	I866 F867 W872	Q850-I866 CarbonylContact O-C 3.21Å; Q850-I866 WeakPolarHBondContact O-CA 3.31Å; Q850-F867 HydrophobicContact CB-CB 4.03Å; Q850-F867 PolarHBondContact O-N 2.95Å; Q850-W872 HydrophobicContact CB-CH2 4.26Å
851	L	88.8	Confident	67.8	Low	26 Å²	26	85.7 Å²	85.7	14%	0.136	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.3	-177.2	-169.2	152.4	0	0	0	110.3	A849 L853 V864 E865 I866 V888 I892 L927	A849-L851 PolarHBondContact O-N 2.95Å; L851-L853 HydrophobicContact CD2-CD2 4.09Å; L851-V864 HydrophobicContact CD1-CG1 3.83Å; L851-V864 HydrophobicContact CD2-CG1 4.28Å; L851-V864 HydrophobicContact CG-CG1 4.09Å; L851-E865 CarbonylContact C-O 3.55Å; L851-E865 WeakPolarHBondContact CA-O 3.32Å; L851-I866 HydrophobicContact CD1-CG1 4.5Å; L851-V888 HydrophobicContact CD1-CG1 4.01Å; L851-V888 HydrophobicContact CD1-CG2 4.13Å; L851-V888 HydrophobicContact CD2-CG1 3.71Å; L851-I892 HydrophobicContact CD2-CG2 3.48Å; L851-I892 VanDerWaalsContact CD2-CG2 3.48Å; L851-L927 HydrophobicContact CD1-CB 4.22Å; L851-L927 HydrophobicContact CD1-CD2 4.12Å
852	R	90.4	Very high	70.7	Confident	100 Å²	100	77.5 Å²	77.5	38%	0.377	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.2	171.5	75.5	-178	-177.5	-170.5	-0	111.8	V854 E865 W872	R852-V854 HydrophobicContact CG-CG2 3.91Å; R852-E865 HydrophobicContact CG-CB 3.9Å; R852-E865 IonicContact CZ-OE2 2.72Å; R852-E865 PolarHBondContact N-O 2.03Å; R852-E865 IonicContact NE-OE2 2.83Å; R852-E865 PolarHBondContact NE-OE2 3.48Å; R852-E865 IonicContact NH2-OE2 2.85Å; R852-E865 PolarHBondContact NH2-OE2 2.83Å; R852-E865 PolarHBondContact O-N 3.2Å; R852-W872 HydrophobicContact CB-CH2 3.85Å; R852-W872 HydrophobicContact CB-CZ3 3.84Å; R852-W872 HydrophobicContact CG-CD2 4.43Å; R852-W872 HydrophobicContact CG-CE3 3.75Å; R852-W872 HydrophobicContact CG-CH2 3.78Å; R852-W872 HydrophobicContact CG-CZ2 4.44Å; R852-W872 HydrophobicContact CG-CZ3 3.4Å; R852-W872 VanDerWaalsContact CZ-CD2 3.47Å; R852-W872 VanDerWaalsContact CZ-CG 3.49Å
853	L	93.6	Very high	73.6	Confident	29 Å²	29	72.9 Å²	72.9	15%	0.152	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	172.4	-59.3	-173.2	0	0	0	110.7	L851 R863 V864 V888 I892 V948	L851-L853 HydrophobicContact CD2-CD2 4.09Å; L853-R863 WeakPolarHBondContact CA-O 3.48Å; L853-V864 HydrophobicContact CD2-CB 4.49Å; L853-V864 HydrophobicContact CD2-CG2 4Å; L853-V888 HydrophobicContact CD2-CG1 4.15Å; L853-I892 HydrophobicContact CD1-CD1 3.35Å; L853-I892 HydrophobicContact CG-CD1 3.84Å; L853-V948 HydrophobicContact CD1-CG2 3.52Å; L853-V948 HydrophobicContact CD2-CG2 3.49Å; L853-V948 VanDerWaalsContact CD2-CG2 3.49Å; L853-V948 HydrophobicContact CG-CG2 4.17Å
854	V	93.5	Very high	76.5	Confident	45 Å²	45	66.3 Å²	66.3	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.6	-175.5	-174.2	0	0	0	0	111.4	R852 G856 G862 R863 E865	R852-V854 HydrophobicContact CG-CG2 3.91Å; V854-G856 PolarHBondContact O-N 2.79Å; V854-G862 CarbonylContact O-C 3.47Å; V854-G862 WeakPolarHBondContact O-CA 3.49Å; V854-R863 PolarHBondContact N-O 2.87Å; V854-R863 PolarHBondContact O-N 3.06Å; V854-E865 HydrophobicContact CG2-CG 4.41Å; V854-E865 WeakPolarHBondContact CG2-OE2 3.29Å
855	G	86.6	Confident	79.4	Confident	56 Å²	56	60 Å²	60	58%	0.577	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	83.9	0.9	171.5	0	0	0	0	0	116.3
856	G	89.3	Confident	81.8	Confident	30 Å²	30	55.4 Å²	55.4	31%	0.309	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	179.3	173.4	0	0	0	0	0	114.4	V854 G858 S861	V854-G856 PolarHBondContact O-N 2.79Å; G856-G858 PolarHBondContact O-N 2.89Å; G856-S861 VanDerWaalsContact CA-O 3.29Å; G856-S861 WeakPolarHBondContact CA-O 3.01Å
857	S	83.4	Confident	83.8	Confident	128 Å²	128	51.7 Å²	51.7	90%	0.895	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-0.1	-176.7	49.1	0	0	0	0	114.8	S861	S857-S861 PolarHBondContact N-OG 2.74Å
858	G	81.8	Confident	85.1	Confident	44 Å²	44	46.8 Å²	46.8	45%	0.454	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-176.4	-179.5	0	0	0	0	0	112.4	G856 C860 S861	G856-G858 PolarHBondContact O-N 2.89Å; G858-C860 PolarHBondContact O-N 3.45Å; G858-C860 VanDerWaalsContact O-N 3.17Å; G858-S861 PolarHBondContact O-N 3.3Å; G858-S861 VanDerWaalsContact O-O 3.05Å
859	Q	86.9	Confident	85.7	Confident	168 Å²	168	46.1 Å²	46.1	79%	0.785	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.9	-175.9	70.7	-172.3	0.9	0	0	114.8
860	C	94.2	Very high	85.9	Confident	15 Å²	15	47.8 Å²	47.8	10%	0.101	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	19	-175.7	-64.2	0	0	0	0	113.2	G858 C894 C950	G858-C860 PolarHBondContact O-N 3.45Å; G858-C860 VanDerWaalsContact O-N 3.17Å; C860-C894 WeakPolarHBondContact CA-SG 3.36Å; C860-C894 HydrophobicContact CB-CB 3.59Å; C860-C894 WeakPolarHBondContact CB-SG 3.47Å; C860-C894 WeakPolarHBondContact SG-CB 3.01Å; C860-C894 CovalentContact SG-SG 2.04Å; C860-C894 PolarHBondContact SG-SG 3.23Å; C860-C950 HydrophobicContact CB-CB 4.1Å; C860-C950 WeakPolarHBondContact O-CB 3.07Å; C860-C950 PolarHBondContact O-N 2.84Å; C860-C950 PolarHBondContact O-SG 2.9Å
861	S	95.2	Very high	85.8	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.6	174.9	61.4	0	0	0	0	110	G856 S857 G858 V948	G856-S861 VanDerWaalsContact CA-O 3.29Å; G856-S861 WeakPolarHBondContact CA-O 3.01Å; S857-S861 PolarHBondContact N-OG 2.74Å; G858-S861 PolarHBondContact O-N 3.3Å; G858-S861 VanDerWaalsContact O-O 3.05Å; S861-V948 WeakPolarHBondContact CA-O 3.4Å
862	G	96.1	Very high	85.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	179.6	175.4	0	0	0	0	0	113.5	V854 G947 V948	V854-G862 CarbonylContact O-C 3.47Å; V854-G862 WeakPolarHBondContact O-CA 3.49Å; G862-G947 CarbonylContact O-C 3.59Å; G862-G947 VanDerWaalsContact O-CA 3.29Å; G862-G947 WeakPolarHBondContact O-CA 3.25Å; G862-V948 PolarHBondContact N-O 2.72Å; G862-V948 PolarHBondContact O-N 3.09Å
863	R	97	Very high	85.4	Confident	22 Å²	22	42.2 Å²	42.2	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.1	167.2	-179.9	177.5	59.7	-102.9	-0.8	109.5	L853 V854 E865 T874 F906 G907 D945	L853-R863 WeakPolarHBondContact CA-O 3.48Å; V854-R863 PolarHBondContact N-O 2.87Å; V854-R863 PolarHBondContact O-N 3.06Å; R863-E865 IonicContact CZ-OE1 3.8Å; R863-E865 VanDerWaalsContact CZ-OE1 3.27Å; R863-E865 IonicContact NE-OE1 3.59Å; R863-E865 PolarHBondContact NE-OE1 2.85Å; R863-E865 IonicContact NH2-OE1 3.66Å; R863-E865 PolarHBondContact NH2-OE1 3.37Å; R863-T874 HydrophobicContact CG-CG2 4.47Å; R863-F906 HydrophobicContact CB-CB 4.13Å; R863-F906 PolarHBondContact NH1-O 2.69Å; R863-G907 PolarHBondContact NH1-O 2.73Å; R863-D945 WeakPolarHBondContact CD-OD2 3.48Å; R863-D945 HydrophobicContact CG-CB 4.06Å
864	V	96.6	Very high	85.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.3	-179.7	-174.7	0	0	0	0	109.6	L851 L853 V875 W880 V888 L927 A946 V948	L851-V864 HydrophobicContact CD1-CG1 3.83Å; L851-V864 HydrophobicContact CD2-CG1 4.28Å; L851-V864 HydrophobicContact CG-CG1 4.09Å; L853-V864 HydrophobicContact CD2-CB 4.49Å; L853-V864 HydrophobicContact CD2-CG2 4Å; V864-V875 HydrophobicContact CB-CB 4.46Å; V864-V875 HydrophobicContact CB-CG2 4.28Å; V864-V875 HydrophobicContact CG1-CG2 3.86Å; V864-V875 PolarHBondContact O-N 3.37Å; V864-W880 HydrophobicContact CG2-CH2 4.41Å; V864-W880 HydrophobicContact CG2-CZ2 3.98Å; V864-V888 HydrophobicContact CG1-CG1 4.47Å; V864-V888 HydrophobicContact CG1-CG2 4.34Å; V864-V888 HydrophobicContact CG2-CG1 4.29Å; V864-L927 HydrophobicContact CG1-CD2 4.01Å; V864-A946 PolarHBondContact N-O 3.28Å; V864-V948 HydrophobicContact CG2-CB 4.49Å; V864-V948 HydrophobicContact CG2-CG1 3.74Å; V864-V948 HydrophobicContact CG2-CG2 4.16Å
865	E	94.1	Very high	85.4	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.3	174.8	-69.3	-179.9	-169.9	0	0	111	L851 R852 V854 R863 W872 G873 T874	L851-E865 CarbonylContact C-O 3.55Å; L851-E865 WeakPolarHBondContact CA-O 3.32Å; R852-E865 HydrophobicContact CG-CB 3.9Å; R852-E865 IonicContact CZ-OE2 2.72Å; R852-E865 PolarHBondContact N-O 2.03Å; R852-E865 IonicContact NE-OE2 2.83Å; R852-E865 PolarHBondContact NE-OE2 3.48Å; R852-E865 IonicContact NH2-OE2 2.85Å; R852-E865 PolarHBondContact NH2-OE2 2.83Å; R852-E865 PolarHBondContact O-N 3.2Å; V854-E865 HydrophobicContact CG2-CG 4.41Å; V854-E865 WeakPolarHBondContact CG2-OE2 3.29Å; R863-E865 IonicContact CZ-OE1 3.8Å; R863-E865 VanDerWaalsContact CZ-OE1 3.27Å; R863-E865 IonicContact NE-OE1 3.59Å; R863-E865 PolarHBondContact NE-OE1 2.85Å; R863-E865 IonicContact NH2-OE1 3.66Å; R863-E865 PolarHBondContact NH2-OE1 3.37Å; E865-W872 HydrophobicContact CB-CE3 4.06Å; E865-W872 WeakPolarHBondContact O-CZ3 3.39Å; E865-G873 CarbonylContact C-O 3.51Å; E865-G873 WeakPolarHBondContact CA-O 3.32Å; E865-G873 WeakPolarHBondContact CB-O 2.86Å; E865-T874 HydrophobicContact CG-CG2 4.06Å
866	I	90	Very high	85.7	Confident	1 Å²	1	36 Å²	36	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.6	-179	-56.8	175.9	0	0	0	109.2	A849 Q850 L851 W872 G873 V875 W914 L915 L927 T928 F935	A849-I866 HydrophobicContact CB-CG2 3.34Å; Q850-I866 CarbonylContact O-C 3.21Å; Q850-I866 WeakPolarHBondContact O-CA 3.31Å; L851-I866 HydrophobicContact CD1-CG1 4.5Å; I866-W872 WeakPolarHBondContact O-CA 3.46Å; I866-G873 PolarHBondContact N-O 3.28Å; I866-G873 PolarHBondContact O-N 2.85Å; I866-V875 HydrophobicContact CD1-CG2 3.65Å; I866-V875 HydrophobicContact CG1-CG2 4Å; I866-W914 PolarHBondContact O-NE1 3.02Å; I866-L915 HydrophobicContact CD1-CD1 3.34Å; I866-L915 HydrophobicContact CD1-CG 3.88Å; I866-L927 HydrophobicContact CD1-CD2 4.08Å; I866-T928 HydrophobicContact CD1-CG2 4.3Å; I866-T928 HydrophobicContact CG2-CG2 4.43Å; I866-F935 HydrophobicContact CG2-CE1 4.47Å
867	F	78.9	Confident	85.9	Confident	68 Å²	68	35.4 Å²	35.4	30%	0.298	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.3	172.5	-168.1	-109.9	0	0	0	109.8	Q850 G870 Q871 W872	Q850-F867 HydrophobicContact CB-CB 4.03Å; Q850-F867 PolarHBondContact O-N 2.95Å; F867-G870 WeakPolarHBondContact CE2-O 3Å; F867-G870 WeakPolarHBondContact CZ-O 3.06Å; F867-Q871 WeakPolarHBondContact CA-O 3.29Å; F867-Q871 VanDerWaalsContact CD2-C 3.47Å; F867-W872 HydrophobicContact CB-CD2 3.91Å; F867-W872 HydrophobicContact CB-CE3 3.82Å; F867-W872 HydrophobicContact CB-CH2 3.82Å; F867-W872 HydrophobicContact CB-CZ2 3.91Å; F867-W872 HydrophobicContact CB-CZ3 3.76Å; F867-W872 AromaticContact CD2-CD1 3.57Å; F867-W872 AromaticContact CD2-CD2 3.78Å; F867-W872 HydrophobicContact CD2-CD2 3.78Å; F867-W872 AromaticContact CD2-CE2 3.64Å; F867-W872 AromaticContact CD2-CG 3.76Å; F867-W872 HydrophobicContact CD2-CG 3.76Å; F867-W872 HydrophobicContact CD2-CZ2 4.28Å; F867-W872 AromaticContact CD2-NE1 3.48Å; F867-W872 AromaticContact CE2-CD1 3.94Å; F867-W872 HydrophobicContact CE2-CG 4.5Å; F867-W872 AromaticContact CE2-NE1 3.91Å; F867-W872 HydrophobicContact CG-CD2 4.3Å; F867-W872 HydrophobicContact CG-CZ2 4.29Å
868	Y	70.3	Confident	86.2	Confident	42 Å²	42	31.6 Å²	31.6	17%	0.165	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.4	-179.2	-174.2	-111	0	0	0	109.5	G870 Q871 W914 F935	Y868-G870 VanDerWaalsContact C-N 3.28Å; Y868-G870 PolarHBondContact O-N 3.22Å; Y868-Q871 PolarHBondContact N-O 3.21Å; Y868-Q871 PolarHBondContact O-N 2.95Å; Y868-W914 HydrophobicContact CD1-CD2 4.26Å; Y868-W914 HydrophobicContact CD1-CE3 4.09Å; Y868-W914 HydrophobicContact CD1-CH2 4.37Å; Y868-W914 HydrophobicContact CD1-CZ2 4.46Å; Y868-W914 HydrophobicContact CD1-CZ3 4.18Å; Y868-W914 WeakPolarHBondContact O-CZ2 2.93Å; Y868-F935 HydrophobicContact CD1-CB 3.86Å; Y868-F935 AromaticContact CD1-CD1 3.54Å; Y868-F935 HydrophobicContact CD1-CD1 3.54Å; Y868-F935 HydrophobicContact CD1-CE1 4.26Å; Y868-F935 AromaticContact CD1-CG 3.81Å; Y868-F935 HydrophobicContact CD1-CG 3.81Å; Y868-F935 AromaticContact CD2-CD1 3.94Å; Y868-F935 HydrophobicContact CD2-CD1 3.94Å; Y868-F935 AromaticContact CD2-CE1 3.85Å; Y868-F935 HydrophobicContact CD2-CE1 3.85Å; Y868-F935 HydrophobicContact CD2-CG 4.34Å; Y868-F935 HydrophobicContact CD2-CZ 4.17Å; Y868-F935 HydrophobicContact CE1-CB 3.47Å; Y868-F935 VanDerWaalsContact CE1-CB 3.47Å; Y868-F935 AromaticContact CE1-CD1 3.88Å; Y868-F935 HydrophobicContact CE1-CD1 3.88Å; Y868-F935 HydrophobicContact CE1-CD2 4.3Å; Y868-F935 AromaticContact CE1-CG 3.63Å; Y868-F935 HydrophobicContact CE1-CG 3.63Å; Y868-F935 HydrophobicContact CE2-CD1 4.27Å; Y868-F935 HydrophobicContact CE2-CD2 4.25Å; Y868-F935 HydrophobicContact CE2-CE1 4.35Å; Y868-F935 HydrophobicContact CE2-CE2 4.33Å; Y868-F935 HydrophobicContact CE2-CG 4.2Å; Y868-F935 HydrophobicContact CE2-CZ 4.36Å; Y868-F935 AromaticContact CG-CD1 3.57Å; Y868-F935 HydrophobicContact CG-CD1 3.57Å; Y868-F935 AromaticContact CG-CE1 3.81Å; Y868-F935 HydrophobicContact CG-CE1 3.81Å; Y868-F935 HydrophobicContact CG-CG 4.16Å; Y868-F935 AromaticContact CZ-CG 3.85Å
869	K	62.3	Low	86.6	Confident	37 Å²	37	32.8 Å²	32.8	16%	0.161	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	44.9	-176.1	-68.3	-176.7	175.8	179.7	0	114.6	E746 Q871	E746-K869 IonicContact OE2-NZ 2.79Å; E746-K869 PolarHBondContact OE2-NZ 3Å; K869-Q871 VanDerWaalsContact C-N 3.28Å; K869-Q871 PolarHBondContact O-N 3.49Å
870	G	62.8	Low	87.1	Confident	56 Å²	56	25.5 Å²	25.5	58%	0.577	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	6.2	176.2	0	0	0	0	0	115.6	F867 Y868	F867-G870 WeakPolarHBondContact CE2-O 3Å; F867-G870 WeakPolarHBondContact CZ-O 3.06Å; Y868-G870 VanDerWaalsContact C-N 3.28Å; Y868-G870 PolarHBondContact O-N 3.22Å
871	Q	70.2	Confident	86.9	Confident	55 Å²	55	30 Å²	30	26%	0.257	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.1	-179	-65.2	-173.8	-12.2	0	0	112.4	I682 F867 Y868 K869 W914	I682-Q871 PolarHBondContact O-NE2 3.03Å; F867-Q871 WeakPolarHBondContact CA-O 3.29Å; F867-Q871 VanDerWaalsContact CD2-C 3.47Å; Y868-Q871 PolarHBondContact N-O 3.21Å; Y868-Q871 PolarHBondContact O-N 2.95Å; K869-Q871 VanDerWaalsContact C-N 3.28Å; K869-Q871 PolarHBondContact O-N 3.49Å; Q871-W914 HydrophobicContact CB-CZ2 4.26Å; Q871-W914 PolarHBondContact O-NE1 3Å
872	W	82.6	Confident	87	Confident	72 Å²	72	33.5 Å²	33.5	27%	0.273	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137	170.2	-72.9	98	0	0	0	109.9	Q850 R852 E865 I866 F867	Q850-W872 HydrophobicContact CB-CH2 4.26Å; R852-W872 HydrophobicContact CB-CH2 3.85Å; R852-W872 HydrophobicContact CB-CZ3 3.84Å; R852-W872 HydrophobicContact CG-CD2 4.43Å; R852-W872 HydrophobicContact CG-CE3 3.75Å; R852-W872 HydrophobicContact CG-CH2 3.78Å; R852-W872 HydrophobicContact CG-CZ2 4.44Å; R852-W872 HydrophobicContact CG-CZ3 3.4Å; R852-W872 VanDerWaalsContact CZ-CD2 3.47Å; R852-W872 VanDerWaalsContact CZ-CG 3.49Å; E865-W872 HydrophobicContact CB-CE3 4.06Å; E865-W872 WeakPolarHBondContact O-CZ3 3.39Å; I866-W872 WeakPolarHBondContact O-CA 3.46Å; F867-W872 HydrophobicContact CB-CD2 3.91Å; F867-W872 HydrophobicContact CB-CE3 3.82Å; F867-W872 HydrophobicContact CB-CH2 3.82Å; F867-W872 HydrophobicContact CB-CZ2 3.91Å; F867-W872 HydrophobicContact CB-CZ3 3.76Å; F867-W872 AromaticContact CD2-CD1 3.57Å; F867-W872 AromaticContact CD2-CD2 3.78Å; F867-W872 HydrophobicContact CD2-CD2 3.78Å; F867-W872 AromaticContact CD2-CE2 3.64Å; F867-W872 AromaticContact CD2-CG 3.76Å; F867-W872 HydrophobicContact CD2-CG 3.76Å; F867-W872 HydrophobicContact CD2-CZ2 4.28Å; F867-W872 AromaticContact CD2-NE1 3.48Å; F867-W872 AromaticContact CE2-CD1 3.94Å; F867-W872 HydrophobicContact CE2-CG 4.5Å; F867-W872 AromaticContact CE2-NE1 3.91Å; F867-W872 HydrophobicContact CG-CD2 4.3Å; F867-W872 HydrophobicContact CG-CZ2 4.29Å
873	G	87.2	Confident	86.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.2	175.6	0	0	0	0	0	112.3	E865 I866 P912	E865-G873 CarbonylContact C-O 3.51Å; E865-G873 WeakPolarHBondContact CA-O 3.32Å; E865-G873 WeakPolarHBondContact CB-O 2.86Å; I866-G873 PolarHBondContact N-O 3.28Å; I866-G873 PolarHBondContact O-N 2.85Å; G873-P912 CarbonylContact C-O 3.59Å; G873-P912 VanDerWaalsContact C-O 3.29Å; G873-P912 WeakPolarHBondContact CA-O 3.21Å
874	T	92.6	Very high	86.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	179.9	-174.5	60.9	0	0	0	0	112.2	R863 E865 P912 I913 W914 H942 D945	R863-T874 HydrophobicContact CG-CG2 4.47Å; E865-T874 HydrophobicContact CG-CG2 4.06Å; T874-P912 PolarHBondContact N-O 2.64Å; T874-I913 CarbonylContact O-C 3.54Å; T874-I913 WeakPolarHBondContact OG1-CG1 3.48Å; T874-W914 PolarHBondContact O-N 2.82Å; T874-H942 PolarHBondContact OG1-CE1 3.49Å; T874-H942 PolarHBondContact OG1-ND1 3.07Å; T874-D945 WeakPolarHBondContact CB-OD1 3.37Å; T874-D945 PolarHBondContact OG1-OD1 2.98Å
875	V	95.4	Very high	86.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.6	175.4	179.2	0	0	0	0	108.1	V864 I866 W880 L915 V918 L927 A946	V864-V875 HydrophobicContact CB-CB 4.46Å; V864-V875 HydrophobicContact CB-CG2 4.28Å; V864-V875 HydrophobicContact CG1-CG2 3.86Å; V864-V875 PolarHBondContact O-N 3.37Å; I866-V875 HydrophobicContact CD1-CG2 3.65Å; I866-V875 HydrophobicContact CG1-CG2 4Å; V875-W880 HydrophobicContact CG1-CE3 4.05Å; V875-W880 HydrophobicContact CG1-CH2 4.18Å; V875-W880 HydrophobicContact CG1-CZ3 3.57Å; V875-L915 HydrophobicContact CG1-CB 4.12Å; V875-L915 HydrophobicContact CG2-CB 4.41Å; V875-V918 HydrophobicContact CG1-CG2 4.05Å; V875-L927 HydrophobicContact CG1-CD2 4.5Å; V875-L927 HydrophobicContact CG2-CD2 4.08Å; V875-A946 HydrophobicContact CB-CB 4.35Å; V875-A946 HydrophobicContact CG1-CB 4.37Å; V875-A946 WeakPolarHBondContact O-CB 3.46Å; V875-A946 PolarHBondContact O-N 2.87Å
876	C	93.5	Very high	86.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-73.6	148.5	177	-175.1	0	0	0	0	111.9	D878 I913 L915 D916 C940 E944	C876-D878 PolarHBondContact SG-N 3.02Å; C876-D878 VanDerWaalsContact SG-N 3.44Å; C876-I913 HydrophobicContact CB-CG2 4.1Å; C876-L915 PolarHBondContact N-O 2.96Å; C876-D916 HydrophobicContact CB-CB 4.24Å; C876-C940 HydrophobicContact CB-CB 3.65Å; C876-C940 WeakPolarHBondContact CB-SG 3.43Å; C876-C940 WeakPolarHBondContact SG-CB 3.02Å; C876-C940 CovalentContact SG-SG 2.01Å; C876-C940 PolarHBondContact SG-SG 3.18Å; C876-E944 CarbonylContact C-O 3.56Å; C876-E944 WeakPolarHBondContact CA-O 3.05Å
877	D	92.6	Very high	87	Confident	18 Å²	18	35 Å²	35	10%	0.096	18%	0.182	C	C	.	.			trans	-87	-1.3	179.6	72.3	-8	0	0	0	114.3	D879 W880 T902 S903 E944 A946	D877-D879 PolarHBondContact O-N 3.37Å; D877-W880 HydrophobicContact CB-CB 4.15Å; D877-W880 WeakPolarHBondContact O-CB 3.31Å; D877-W880 PolarHBondContact O-N 2.87Å; D877-T902 HydrophobicContact CB-CG2 3.93Å; D877-T902 VanDerWaalsContact OD2-CB 3.26Å; D877-T902 WeakPolarHBondContact OD2-CB 3.33Å; D877-S903 WeakPolarHBondContact OD2-CA 3.27Å; D877-S903 PolarHBondContact OD2-N 3.04Å; D877-E944 VanDerWaalsContact CB-O 3.25Å; D877-E944 WeakPolarHBondContact CB-O 3.05Å; D877-E944 PolarHBondContact N-O 3.24Å; D877-E944 WeakPolarHBondContact OD1-CB 3.39Å; D877-A946 HydrophobicContact CB-CB 4.19Å
878	D	90.6	Very high	87.8	Confident	48 Å²	48	31.8 Å²	31.8	26%	0.257	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	124.8	169.4	-87.4	-2.3	0	0	0	110.2	C876 W880 D916	C876-D878 PolarHBondContact SG-N 3.02Å; C876-D878 VanDerWaalsContact SG-N 3.44Å; D878-W880 PolarHBondContact O-N 2.88Å; D878-W880 VanDerWaalsContact O-N 3.15Å; D878-D916 WeakPolarHBondContact CB-OD1 3.26Å
879	D	90.2	Very high	88.9	Confident	68 Å²	68	29.8 Å²	29.8	36%	0.364	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	17.7	-171.5	-58.8	-47.2	0	0	0	114.8	D877 Q881 N884 N917	D877-D879 PolarHBondContact O-N 3.37Å; D879-Q881 WeakPolarHBondContact O-CG 3.42Å; D879-Q881 PolarHBondContact O-N 2.94Å; D879-Q881 VanDerWaalsContact O-N 3.13Å; D879-Q881 PolarHBondContact O-NE2 2.91Å; D879-N884 PolarHBondContact O-OD1 3.07Å; D879-N917 PolarHBondContact OD2-ND2 2.92Å
880	W	95.8	Very high	90.3	Very high	15 Å²	15	32.4 Å²	32.4	6%	0.057	17%	0.169	C	C	.	.			trans	-73.7	105.5	-179	-166.8	-108.7	0	0	0	112.5	V864 V875 D877 D878 N884 V888 V918 L927 A946 G947 V948	V864-W880 HydrophobicContact CG2-CH2 4.41Å; V864-W880 HydrophobicContact CG2-CZ2 3.98Å; V875-W880 HydrophobicContact CG1-CE3 4.05Å; V875-W880 HydrophobicContact CG1-CH2 4.18Å; V875-W880 HydrophobicContact CG1-CZ3 3.57Å; D877-W880 HydrophobicContact CB-CB 4.15Å; D877-W880 WeakPolarHBondContact O-CB 3.31Å; D877-W880 PolarHBondContact O-N 2.87Å; D878-W880 PolarHBondContact O-N 2.88Å; D878-W880 VanDerWaalsContact O-N 3.15Å; W880-N884 HydrophobicContact CD2-CB 4.03Å; W880-N884 HydrophobicContact CE3-CB 3.73Å; W880-N884 HydrophobicContact CH2-CB 3.89Å; W880-N884 HydrophobicContact CZ2-CB 4.19Å; W880-N884 HydrophobicContact CZ3-CB 3.66Å; W880-V888 HydrophobicContact CH2-CG2 3.89Å; W880-V888 HydrophobicContact CZ2-CG2 4.18Å; W880-V918 HydrophobicContact CE3-CB 4.44Å; W880-V918 HydrophobicContact CZ3-CB 4.24Å; W880-V918 HydrophobicContact CZ3-CG2 4.47Å; W880-L927 HydrophobicContact CH2-CD1 3.78Å; W880-L927 HydrophobicContact CH2-CD2 3.76Å; W880-L927 HydrophobicContact CH2-CG 4.42Å; W880-L927 HydrophobicContact CZ3-CD1 3.88Å; W880-L927 HydrophobicContact CZ3-CD2 4.11Å; W880-A946 HydrophobicContact CD2-CB 3.6Å; W880-A946 HydrophobicContact CE3-CB 4.07Å; W880-A946 HydrophobicContact CG-CB 3.81Å; W880-A946 HydrophobicContact CZ2-CB 4.14Å; W880-G947 PolarHBondContact NE1-O 3.3Å; W880-V948 HydrophobicContact CZ2-CG1 3.84Å
881	Q	91.8	Very high	91.6	Very high	109 Å²	109	32.1 Å²	32.1	51%	0.509	15%	0.153	S	C	.	.			trans	-119.6	173.6	-172.8	-67.7	174	62.2	0	0	112.1	D879 S883 N884 A885	D879-Q881 WeakPolarHBondContact O-CG 3.42Å; D879-Q881 PolarHBondContact O-N 2.94Å; D879-Q881 VanDerWaalsContact O-N 3.13Å; D879-Q881 PolarHBondContact O-NE2 2.91Å; Q881-S883 PolarHBondContact O-N 2.9Å; Q881-N884 WeakPolarHBondContact CA-OD1 3.41Å; Q881-N884 PolarHBondContact N-OD1 3.31Å; Q881-N884 WeakPolarHBondContact O-CB 3.46Å; Q881-N884 PolarHBondContact O-N 2.77Å; Q881-N884 PolarHBondContact O-OD1 3.44Å; Q881-A885 PolarHBondContact O-N 2.05Å
882	M	95.4	Very high	92.4	Very high	84 Å²	84	32 Å²	32	41%	0.414	15%	0.153	S	C	.	.	H	α-helix	trans	-59	-32.4	-178.4	-155.6	65.8	-115.9	0	0	112.8	A885 D886 A897 A900	M882-A885 HydrophobicContact CE-CB 3.97Å; M882-A885 PolarHBondContact O-N 3.18Å; M882-D886 WeakPolarHBondContact O-CB 3.49Å; M882-D886 PolarHBondContact O-N 2.98Å; M882-A897 VanDerWaalsContact CE-C 3.49Å; M882-A897 HydrophobicContact CE-CB 3.1Å; M882-A900 HydrophobicContact SD-CB 4.5Å
883	S	94.9	Very high	92.6	Very high	33 Å²	33	31.7 Å²	31.7	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-37	176.6	52.2	0	0	0	0	112.3	Q881 D886 V887 C920	Q881-S883 PolarHBondContact O-N 2.9Å; S883-D886 PolarHBondContact O-N 3.16Å; S883-V887 WeakPolarHBondContact O-CG2 3.04Å; S883-V887 PolarHBondContact O-N 2.89Å; S883-C920 VanDerWaalsContact CB-O 3.22Å; S883-C920 WeakPolarHBondContact CB-O 3.42Å; S883-C920 PolarHBondContact OG-O 3.3Å
884	N	95.5	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-48.5	175.3	-50.1	99.3	0	0	0	110.8	D879 W880 Q881 D886 V887 V888 V918 C920 L927	D879-N884 PolarHBondContact O-OD1 3.07Å; W880-N884 HydrophobicContact CD2-CB 4.03Å; W880-N884 HydrophobicContact CE3-CB 3.73Å; W880-N884 HydrophobicContact CH2-CB 3.89Å; W880-N884 HydrophobicContact CZ2-CB 4.19Å; W880-N884 HydrophobicContact CZ3-CB 3.66Å; Q881-N884 WeakPolarHBondContact CA-OD1 3.41Å; Q881-N884 PolarHBondContact N-OD1 3.31Å; Q881-N884 WeakPolarHBondContact O-CB 3.46Å; Q881-N884 PolarHBondContact O-N 2.77Å; Q881-N884 PolarHBondContact O-OD1 3.44Å; N884-D886 VanDerWaalsContact C-N 3.28Å; N884-D886 PolarHBondContact O-N 2.03Å; N884-V887 PolarHBondContact O-N 3.34Å; N884-V888 WeakPolarHBondContact O-CG2 3.46Å; N884-V888 PolarHBondContact O-N 2.88Å; N884-V918 VanDerWaalsContact ND2-C 3.33Å; N884-V918 PolarHBondContact ND2-O 3.3Å; N884-V918 PolarHBondContact OD1-O 3.06Å; N884-C920 WeakPolarHBondContact ND2-CB 3.33Å; N884-C920 PolarHBondContact ND2-N 2.94Å; N884-C920 PolarHBondContact ND2-SG 2.9Å; N884-L927 HydrophobicContact CB-CD1 4.38Å
885	A	95.8	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-37.9	177.5	0	0	0	0	0	112	Q881 M882 V887 V888 C889 A897 A900 V948	Q881-A885 PolarHBondContact O-N 2.05Å; M882-A885 HydrophobicContact CE-CB 3.97Å; M882-A885 PolarHBondContact O-N 3.18Å; A885-V887 VanDerWaalsContact C-N 3.35Å; A885-V887 PolarHBondContact O-N 2.73Å; A885-V888 PolarHBondContact O-N 2.74Å; A885-C889 WeakPolarHBondContact O-CB 3.36Å; A885-C889 PolarHBondContact O-N 2.81Å; A885-C889 PolarHBondContact O-SG 2.98Å; A885-C889 VanDerWaalsContact O-SG 3.35Å; A885-A897 HydrophobicContact CB-CB 3.71Å; A885-A900 HydrophobicContact CB-CB 3.65Å; A885-V948 HydrophobicContact CB-CB 4.36Å; A885-V948 HydrophobicContact CB-CG1 3.64Å
886	D	94.1	Very high	92.6	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.16	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-39	177.9	-158.6	61.9	0	0	0	112.2	M882 S883 N884 C889 R890 H896 A897	M882-D886 WeakPolarHBondContact O-CB 3.49Å; M882-D886 PolarHBondContact O-N 2.98Å; S883-D886 PolarHBondContact O-N 3.16Å; N884-D886 VanDerWaalsContact C-N 3.28Å; N884-D886 PolarHBondContact O-N 2.03Å; D886-C889 PolarHBondContact O-N 3.41Å; D886-R890 WeakPolarHBondContact O-CB 3.04Å; D886-R890 VanDerWaalsContact O-CG 3.3Å; D886-R890 WeakPolarHBondContact O-CG 3.41Å; D886-R890 PolarHBondContact O-N 3.02Å; D886-H896 WeakPolarHBondContact OD1-CA 3.34Å; D886-H896 WeakPolarHBondContact OD1-CB 2.98Å; D886-H896 IonicContact OD1-CG 2.95Å; D886-H896 IonicContact OD1-ND1 3.27Å; D886-H896 PolarHBondContact OD1-ND1 3.48Å; D886-H896 IonicContact OD2-CE1 2.69Å; D886-H896 IonicContact OD2-ND1 3.41Å; D886-H896 PolarHBondContact OD2-ND1 3.26Å; D886-A897 HydrophobicContact CB-CB 4.21Å; D886-A897 PolarHBondContact OD1-N 3.01Å
887	V	94.9	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-46.1	172.2	173.3	0	0	0	0	110.8	S883 N884 A885 R890 Q891 C920 E924 A926	S883-V887 WeakPolarHBondContact O-CG2 3.04Å; S883-V887 PolarHBondContact O-N 2.89Å; N884-V887 PolarHBondContact O-N 3.34Å; A885-V887 VanDerWaalsContact C-N 3.35Å; A885-V887 PolarHBondContact O-N 2.73Å; V887-R890 PolarHBondContact O-N 2.74Å; V887-Q891 WeakPolarHBondContact O-CB 3.41Å; V887-Q891 PolarHBondContact O-N 3.37Å; V887-C920 HydrophobicContact CG2-CB 3.96Å; V887-E924 HydrophobicContact CG1-CB 4.13Å; V887-E924 HydrophobicContact CG2-CB 4.01Å; V887-A926 VanDerWaalsContact CG1-C 3.4Å
888	V	94.6	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-50.7	177.5	176.2	0	0	0	0	111.4	L851 L853 V864 W880 N884 A885 R890 Q891 I892 L927 V948	L851-V888 HydrophobicContact CD1-CG1 4.01Å; L851-V888 HydrophobicContact CD1-CG2 4.13Å; L851-V888 HydrophobicContact CD2-CG1 3.71Å; L853-V888 HydrophobicContact CD2-CG1 4.15Å; V864-V888 HydrophobicContact CG1-CG1 4.47Å; V864-V888 HydrophobicContact CG1-CG2 4.34Å; V864-V888 HydrophobicContact CG2-CG1 4.29Å; W880-V888 HydrophobicContact CH2-CG2 3.89Å; W880-V888 HydrophobicContact CZ2-CG2 4.18Å; N884-V888 WeakPolarHBondContact O-CG2 3.46Å; N884-V888 PolarHBondContact O-N 2.88Å; A885-V888 PolarHBondContact O-N 2.74Å; V888-R890 VanDerWaalsContact C-N 3.32Å; V888-R890 PolarHBondContact O-N 2.77Å; V888-Q891 PolarHBondContact O-N 2.9Å; V888-Q891 VanDerWaalsContact O-N 3.15Å; V888-I892 WeakPolarHBondContact O-CG1 3.15Å; V888-I892 PolarHBondContact O-N 2.87Å; V888-I892 VanDerWaalsContact O-N 3.08Å; V888-L927 HydrophobicContact CG2-CB 4.27Å; V888-L927 HydrophobicContact CG2-CD1 3.88Å; V888-L927 HydrophobicContact CG2-CD2 3.74Å; V888-L927 HydrophobicContact CG2-CG 4.18Å; V888-V948 HydrophobicContact CB-CG1 4.09Å; V888-V948 HydrophobicContact CG1-CG1 4.12Å; V888-V948 HydrophobicContact CG1-CG2 3.87Å; V888-V948 HydrophobicContact CG2-CG1 4.39Å
889	C	93.9	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-38.7	-177.1	-71.7	0	0	0	0	112.5	A885 D886 G893 C894 G895 A897 C950	A885-C889 WeakPolarHBondContact O-CB 3.36Å; A885-C889 PolarHBondContact O-N 2.81Å; A885-C889 PolarHBondContact O-SG 2.98Å; A885-C889 VanDerWaalsContact O-SG 3.35Å; D886-C889 PolarHBondContact O-N 3.41Å; C889-G893 PolarHBondContact O-N 3.22Å; C889-C894 PolarHBondContact O-N 3.47Å; C889-G895 CarbonylContact C-O 3.54Å; C889-G895 VanDerWaalsContact CB-O 3.27Å; C889-G895 WeakPolarHBondContact CB-O 3.48Å; C889-A897 HydrophobicContact CB-CB 4.22Å; C889-C950 WeakPolarHBondContact CA-SG 3.39Å; C889-C950 HydrophobicContact CB-CB 3.67Å; C889-C950 WeakPolarHBondContact CB-SG 3.33Å; C889-C950 WeakPolarHBondContact SG-CA 3.41Å; C889-C950 WeakPolarHBondContact SG-CB 3.29Å; C889-C950 CovalentContact SG-SG 2.03Å; C889-C950 PolarHBondContact SG-SG 2.89Å
890	R	92.1	Very high	93.2	Very high	92 Å²	92	40.4 Å²	40.4	35%	0.347	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-44.9	172	-77.1	167.4	23.1	121.9	-5.5	112.1	D886 V887 V888 I892 G893 G895 Q923 E924	D886-R890 WeakPolarHBondContact O-CB 3.04Å; D886-R890 VanDerWaalsContact O-CG 3.3Å; D886-R890 WeakPolarHBondContact O-CG 3.41Å; D886-R890 PolarHBondContact O-N 3.02Å; V887-R890 PolarHBondContact O-N 2.74Å; V888-R890 VanDerWaalsContact C-N 3.32Å; V888-R890 PolarHBondContact O-N 2.77Å; R890-I892 VanDerWaalsContact C-N 3.27Å; R890-I892 PolarHBondContact O-N 2.78Å; R890-G893 PolarHBondContact O-N 3.39Å; R890-G895 PolarHBondContact N-O 3.45Å; R890-Q923 PolarHBondContact NH2-O 2.91Å; R890-E924 PolarHBondContact NH2-O 3.36Å
891	Q	89.3	Confident	93.1	Very high	50 Å²	50	40.5 Å²	40.5	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-37.3	-177.7	-177.7	-179.4	-10.5	0	0	111.9	V887 V888 A926	V887-Q891 WeakPolarHBondContact O-CB 3.41Å; V887-Q891 PolarHBondContact O-N 3.37Å; V888-Q891 PolarHBondContact O-N 2.9Å; V888-Q891 VanDerWaalsContact O-N 3.15Å; Q891-A926 HydrophobicContact CG-CB 4.4Å; Q891-A926 VanDerWaalsContact OE1-CA 3.27Å
892	I	87.3	Confident	93.2	Very high	51 Å²	51	38.3 Å²	38.3	26%	0.262	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0	177.9	68.4	179.3	0	0	0	113.9	L851 L853 V888 R890 C894	L851-I892 HydrophobicContact CD2-CG2 3.48Å; L851-I892 VanDerWaalsContact CD2-CG2 3.48Å; L853-I892 HydrophobicContact CD1-CD1 3.35Å; L853-I892 HydrophobicContact CG-CD1 3.84Å; V888-I892 WeakPolarHBondContact O-CG1 3.15Å; V888-I892 PolarHBondContact O-N 2.87Å; V888-I892 VanDerWaalsContact O-N 3.08Å; R890-I892 VanDerWaalsContact C-N 3.27Å; R890-I892 PolarHBondContact O-N 2.78Å; I892-C894 HydrophobicContact CD1-CB 4.15Å; I892-C894 HydrophobicContact CG1-CB 3.94Å
893	G	86.8	Confident	93	Very high	66 Å²	66	38.1 Å²	38.1	68%	0.68	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	22.3	177.2	0	0	0	0	0	115.5	C889 R890	C889-G893 PolarHBondContact O-N 3.22Å; R890-G893 PolarHBondContact O-N 3.39Å
894	C	91.4	Very high	92.7	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.047	23%	0.234	C	C	.	.	S	Bend	trans	-98.1	18	-178.6	-72.8	0	0	0	0	114	C860 C889 I892 C950 G952	C860-C894 WeakPolarHBondContact CA-SG 3.36Å; C860-C894 HydrophobicContact CB-CB 3.59Å; C860-C894 WeakPolarHBondContact CB-SG 3.47Å; C860-C894 WeakPolarHBondContact SG-CB 3.01Å; C860-C894 CovalentContact SG-SG 2.04Å; C860-C894 PolarHBondContact SG-SG 3.23Å; C889-C894 PolarHBondContact O-N 3.47Å; I892-C894 HydrophobicContact CD1-CB 4.15Å; I892-C894 HydrophobicContact CG1-CB 3.94Å; C894-C950 HydrophobicContact CB-CB 3.58Å; C894-G952 PolarHBondContact O-N 3.08Å
895	G	90.6	Very high	92.6	Very high	38 Å²	38	42.9 Å²	42.9	39%	0.392	26%	0.26	S	S	.	.			trans	76.9	-147	-178	0	0	0	0	0	113.1	C889 R890	C889-G895 CarbonylContact C-O 3.54Å; C889-G895 VanDerWaalsContact CB-O 3.27Å; C889-G895 WeakPolarHBondContact CB-O 3.48Å; R890-G895 PolarHBondContact N-O 3.45Å
896	H	92.8	Very high	92.4	Very high	108 Å²	108	44.6 Å²	44.6	50%	0.5	27%	0.268	S	S	.	.	S	Bend	trans	-86.5	159.1	179.7	-67.7	-75.1	0	0	0	112.2	D886 L951	D886-H896 WeakPolarHBondContact OD1-CA 3.34Å; D886-H896 WeakPolarHBondContact OD1-CB 2.98Å; D886-H896 IonicContact OD1-CG 2.95Å; D886-H896 IonicContact OD1-ND1 3.27Å; D886-H896 PolarHBondContact OD1-ND1 3.48Å; D886-H896 IonicContact OD2-CE1 2.69Å; D886-H896 IonicContact OD2-ND1 3.41Å; D886-H896 PolarHBondContact OD2-ND1 3.26Å; H896-L951 HydrophobicContact CB-CD1 3.68Å; H896-L951 PolarHBondContact O-N 2.87Å
897	A	94.9	Very high	92	Very high	18 Å²	18	44.9 Å²	44.9	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.9	178.7	0	0	0	0	0	112.4	M882 A885 D886 C889	M882-A897 VanDerWaalsContact CE-C 3.49Å; M882-A897 HydrophobicContact CE-CB 3.1Å; A885-A897 HydrophobicContact CB-CB 3.71Å; D886-A897 HydrophobicContact CB-CB 4.21Å; D886-A897 PolarHBondContact OD1-N 3.01Å; C889-A897 HydrophobicContact CB-CB 4.22Å
898	V	95.1	Very high	91.6	Very high	88 Å²	88	52.2 Å²	52.2	53%	0.533	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-37.6	176	177.7	0	0	0	0	110.4	I949 L951	V898-I949 WeakPolarHBondContact CA-O 3.4Å; V898-I949 HydrophobicContact CB-CG2 4.4Å; V898-I949 WeakPolarHBondContact CB-O 3.26Å; V898-I949 PolarHBondContact N-O 2.83Å; V898-L951 HydrophobicContact CG2-CB 4.4Å; V898-L951 HydrophobicContact CG2-CD2 4.48Å; V898-L951 HydrophobicContact CG2-CG 3.81Å
899	S	94.8	Very high	91	Very high	36 Å²	36	52.8 Å²	52.8	25%	0.252	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.2	172.5	68.8	0	0	0	0	112.3	P901 I949	S899-P901 VanDerWaalsContact C-CD 3.44Å; S899-P901 WeakPolarHBondContact O-CD 3.49Å; S899-I949 PolarHBondContact N-O 2.04Å; S899-I949 VanDerWaalsContact N-O 3.17Å; S899-I949 PolarHBondContact O-N 3.17Å; S899-I949 VanDerWaalsContact O-N 3.09Å; S899-I949 WeakPolarHBondContact OG-CB 3.36Å; S899-I949 WeakPolarHBondContact OG-CD1 3.46Å; S899-I949 WeakPolarHBondContact OG-CG1 3.5Å
900	A	95.6	Very high	89.9	Confident	23 Å²	23	56.8 Å²	56.8	19%	0.19	34%	0.34	C	S	.	.			trans	-115.7	77.8	171.6	0	0	0	0	0	109.7	M882 A885	M882-A900 HydrophobicContact SD-CB 4.5Å; A885-A900 HydrophobicContact CB-CB 3.65Å
901	P	93.4	Very high	89	Confident	17 Å²	17	52.9 Å²	52.9	11%	0.11	33%	0.328	C	S	.	.			trans	-63.6	138.6	179	-23.9	35.2	0	0	0	112.8	S899 H905 F906 G947 I949	S899-P901 VanDerWaalsContact C-CD 3.44Å; S899-P901 WeakPolarHBondContact O-CD 3.49Å; P901-H905 HydrophobicContact CB-CB 3.59Å; P901-F906 HydrophobicContact CB-CE2 4.32Å; P901-F906 HydrophobicContact CG-CE2 3.98Å; P901-G947 VanDerWaalsContact CD-O 3.28Å; P901-G947 WeakPolarHBondContact CD-O 3.46Å; P901-G947 PolarHBondContact O-N 2.6Å; P901-I949 HydrophobicContact CG-CD1 4.28Å; P901-I949 HydrophobicContact CG-CG1 4.14Å
902	T	94.4	Very high	88.2	Confident	64 Å²	64	50.6 Å²	50.6	39%	0.393	32%	0.317	S	S	.	.			trans	-109.6	179.1	176.6	61.7	0	0	0	0	110	D877 A904 H905	D877-T902 HydrophobicContact CB-CG2 3.93Å; D877-T902 VanDerWaalsContact OD2-CB 3.26Å; D877-T902 WeakPolarHBondContact OD2-CB 3.33Å; T902-A904 PolarHBondContact O-N 3.4Å; T902-H905 PolarHBondContact O-N 2.99Å
903	S	89.9	Confident	88.1	Confident	80 Å²	80	48.2 Å²	48.2	56%	0.559	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	45.8	169.1	-49.9	0	0	0	0	113.9	D877 H905 G943	D877-S903 WeakPolarHBondContact OD2-CA 3.27Å; D877-S903 PolarHBondContact OD2-N 3.04Å; S903-H905 VanDerWaalsContact C-N 3.25Å; S903-H905 PolarHBondContact O-N 2.81Å; S903-G943 CarbonylContact C-O 3.31Å; S903-G943 VanDerWaalsContact CA-O 3.23Å; S903-G943 WeakPolarHBondContact CA-O 3.42Å
904	A	89.3	Confident	88.1	Confident	13 Å²	13	45.9 Å²	45.9	11%	0.107	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	40.5	178.5	0	0	0	0	0	113.4	T902 F906 G907 R908 H942 G943 D945	T902-A904 PolarHBondContact O-N 3.4Å; A904-F906 PolarHBondContact O-N 3.29Å; A904-F906 VanDerWaalsContact O-N 3.08Å; A904-G907 CarbonylContact O-C 3.58Å; A904-G907 WeakPolarHBondContact O-CA 3.08Å; A904-G907 PolarHBondContact O-N 3.32Å; A904-R908 HydrophobicContact CB-CG 3.99Å; A904-H942 WeakPolarHBondContact CB-O 3.05Å; A904-G943 PolarHBondContact N-O 2.85Å; A904-D945 VanDerWaalsContact CA-O 3.3Å; A904-D945 WeakPolarHBondContact CA-O 3.22Å; A904-D945 HydrophobicContact CB-CB 4.28Å; A904-D945 PolarHBondContact N-O 2.04Å
905	H	93	Very high	88	Confident	119 Å²	119	45.5 Å²	45.5	55%	0.551	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-35.5	-178.1	178.4	-86.3	0	0	0	113.9	P901 T902 S903 G907	P901-H905 HydrophobicContact CB-CB 3.59Å; T902-H905 PolarHBondContact O-N 2.99Å; S903-H905 VanDerWaalsContact C-N 3.25Å; S903-H905 PolarHBondContact O-N 2.81Å; H905-G907 VanDerWaalsContact C-N 3.31Å
906	F	91.6	Very high	88	Confident	36 Å²	36	43.7 Å²	43.7	16%	0.158	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	20.7	177.8	-65.4	-74.9	0	0	0	113.6	R863 P901 A904 I949	R863-F906 HydrophobicContact CB-CB 4.13Å; R863-F906 PolarHBondContact NH1-O 2.69Å; P901-F906 HydrophobicContact CB-CE2 4.32Å; P901-F906 HydrophobicContact CG-CE2 3.98Å; A904-F906 PolarHBondContact O-N 3.29Å; A904-F906 VanDerWaalsContact O-N 3.08Å; F906-I949 HydrophobicContact CE2-CG1 4.26Å; F906-I949 HydrophobicContact CZ-CD1 4.02Å; F906-I949 HydrophobicContact CZ-CG1 3.71Å
907	G	86.9	Confident	87.9	Confident	36 Å²	36	39.8 Å²	39.8	37%	0.371	24%	0.238	S	C	.	.			trans	87.9	155.4	-172.1	0	0	0	0	0	112.2	R863 A904 H905	R863-G907 PolarHBondContact NH1-O 2.73Å; A904-G907 CarbonylContact O-C 3.58Å; A904-G907 WeakPolarHBondContact O-CA 3.08Å; A904-G907 PolarHBondContact O-N 3.32Å; H905-G907 VanDerWaalsContact C-N 3.31Å
908	R	85.4	Confident	87.8	Confident	154 Å²	154	39 Å²	39	58%	0.581	23%	0.231	S	C	*	.			trans	-66.1	137.6	174.6	-58.9	-167.3	175	-170	-8.1	110.1	A904 H942	A904-R908 HydrophobicContact CB-CG 3.99Å; R908-H942 HydrophobicContact CB-CB 4.07Å; R908-H942 VanDerWaalsContact CG-O 3.31Å; R908-H942 WeakPolarHBondContact CG-O 3.44Å
909	G	82.2	Confident	87.7	Confident	12 Å²	12	39.2 Å²	39.2	12%	0.124	23%	0.226	C	C	.	.			trans	-79.4	-169.1	170.2	0	0	0	0	0	112	H942 D945	G909-H942 PolarHBondContact O-CD2 3.38Å; G909-D945 WeakPolarHBondContact CA-OD2 3.41Å; G909-D945 PolarHBondContact N-OD2 3.22Å
910	S	71.3	Confident	87.6	Confident	85 Å²	85	38.1 Å²	38.1	59%	0.594	22%	0.218	S	C	*	.			trans	-149.6	140.9	179.5	62.5	0	0	0	0	109.2	H942	S910-H942 WeakPolarHBondContact CA-NE2 3.36Å
911	G	73.6	Confident	87.2	Confident	9 Å²	9	42.3 Å²	42.3	9%	0.093	24%	0.241	C	C	.	.	S	Bend	trans	103.9	-159.7	-179.6	0	0	0	0	0	111.5	H942	G911-H942 PolarHBondContact N-NE2 3.46Å; G911-H942 PolarHBondContact O-CE1 3.35Å; G911-H942 VanDerWaalsContact O-CE1 3.27Å; G911-H942 PolarHBondContact O-NE2 3.28Å
912	P	71.6	Confident	86.7	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.019	24%	0.239	C	C	.	.			trans	-68.6	149.6	-178.1	25.7	-31.8	0	0	0	112.3	I664 G873 T874 W914	I664-P912 HydrophobicContact CG2-CB 4.28Å; G873-P912 CarbonylContact C-O 3.59Å; G873-P912 VanDerWaalsContact C-O 3.29Å; G873-P912 WeakPolarHBondContact CA-O 3.21Å; T874-P912 PolarHBondContact N-O 2.64Å; P912-W914 HydrophobicContact CB-CD2 4.02Å; P912-W914 HydrophobicContact CB-CE3 4.1Å; P912-W914 HydrophobicContact CB-CH2 3.85Å; P912-W914 HydrophobicContact CB-CZ2 3.81Å; P912-W914 HydrophobicContact CB-CZ3 4Å; P912-W914 HydrophobicContact CG-CD2 4.06Å; P912-W914 HydrophobicContact CG-CH2 3.77Å; P912-W914 HydrophobicContact CG-CZ2 3.25Å; P912-W914 HydrophobicContact CG-CZ3 4.37Å
913	I	84.6	Confident	86.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.9	162	-50.8	-171.8	0	0	0	106.9	T874 C876 N938 C940	T874-I913 CarbonylContact O-C 3.54Å; T874-I913 WeakPolarHBondContact OG1-CG1 3.48Å; C876-I913 HydrophobicContact CB-CG2 4.1Å; I913-N938 HydrophobicContact CG2-CB 4.37Å; I913-N938 PolarHBondContact O-ND2 3.42Å; I913-N938 VanDerWaalsContact O-ND2 3.13Å; I913-C940 HydrophobicContact CD1-CB 4Å; I913-C940 WeakPolarHBondContact CD1-O 3.28Å
914	W	86.8	Confident	86.1	Confident	16 Å²	16	43.2 Å²	43.2	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-33.4	-169.6	-77.1	136.9	0	0	0	114.2	I866 Y868 Q871 T874 P912 F935 G936	I866-W914 PolarHBondContact O-NE1 3.02Å; Y868-W914 HydrophobicContact CD1-CD2 4.26Å; Y868-W914 HydrophobicContact CD1-CE3 4.09Å; Y868-W914 HydrophobicContact CD1-CH2 4.37Å; Y868-W914 HydrophobicContact CD1-CZ2 4.46Å; Y868-W914 HydrophobicContact CD1-CZ3 4.18Å; Y868-W914 WeakPolarHBondContact O-CZ2 2.93Å; Q871-W914 HydrophobicContact CB-CZ2 4.26Å; Q871-W914 PolarHBondContact O-NE1 3Å; T874-W914 PolarHBondContact O-N 2.82Å; P912-W914 HydrophobicContact CB-CD2 4.02Å; P912-W914 HydrophobicContact CB-CE3 4.1Å; P912-W914 HydrophobicContact CB-CH2 3.85Å; P912-W914 HydrophobicContact CB-CZ2 3.81Å; P912-W914 HydrophobicContact CB-CZ3 4Å; P912-W914 HydrophobicContact CG-CD2 4.06Å; P912-W914 HydrophobicContact CG-CH2 3.77Å; P912-W914 HydrophobicContact CG-CZ2 3.25Å; P912-W914 HydrophobicContact CG-CZ3 4.37Å; W914-F935 HydrophobicContact CB-CD1 4.1Å; W914-F935 HydrophobicContact CG-CD1 4.48Å; W914-F935 CarbonylContact O-C 3.55Å; W914-F935 VanDerWaalsContact O-CA 3.24Å; W914-F935 WeakPolarHBondContact O-CA 3.49Å; W914-G936 PolarHBondContact O-N 3.27Å
915	L	90.4	Very high	85.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.9	-177.5	-64.2	-179.3	0	0	0	111.1	I866 V875 C876 V918 L927 T928 H932 F935	I866-L915 HydrophobicContact CD1-CD1 3.34Å; I866-L915 HydrophobicContact CD1-CG 3.88Å; V875-L915 HydrophobicContact CG1-CB 4.12Å; V875-L915 HydrophobicContact CG2-CB 4.41Å; C876-L915 PolarHBondContact N-O 2.96Å; L915-V918 HydrophobicContact CB-CG2 3.63Å; L915-V918 HydrophobicContact CD1-CG2 4.3Å; L915-L927 HydrophobicContact CD1-CD2 4.37Å; L915-L927 HydrophobicContact CD1-CG 4.27Å; L915-T928 HydrophobicContact CD1-CG2 4.32Å; L915-H932 HydrophobicContact CD2-CB 4.27Å; L915-F935 HydrophobicContact CD2-CD1 4.09Å; L915-F935 HydrophobicContact CD2-CE1 4.01Å; L915-F935 HydrophobicContact CD2-CE2 4.44Å; L915-F935 HydrophobicContact CD2-CG 4.36Å; L915-F935 HydrophobicContact CD2-CZ 4.2Å; L915-F935 HydrophobicContact CG-CE1 4.45Å
916	D	90.8	Very high	85	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.			trans	-144.7	152.1	-178.8	-177.5	27.8	0	0	0	110.5	C876 D878 V918 R933 N938 N939 C940	C876-D916 HydrophobicContact CB-CB 4.24Å; D878-D916 WeakPolarHBondContact CB-OD1 3.26Å; D916-V918 VanDerWaalsContact C-N 3.25Å; D916-V918 PolarHBondContact O-N 2.98Å; D916-R933 PolarHBondContact O-N 2.85Å; D916-R933 IonicContact OD2-CZ 2.78Å; D916-R933 IonicContact OD2-NH1 3.05Å; D916-R933 PolarHBondContact OD2-NH1 3.47Å; D916-N938 HydrophobicContact CB-CB 3.49Å; D916-N938 VanDerWaalsContact CB-CB 3.49Å; D916-N938 WeakPolarHBondContact OD2-CA 3.49Å; D916-N939 PolarHBondContact OD2-N 3.46Å; D916-N939 PolarHBondContact OD2-OD1 2.78Å; D916-C940 PolarHBondContact OD1-SG 3.26Å
917	N	90.8	Very high	84.8	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.139	21%	0.213	C	C	.	.	S	Bend	trans	43	53.5	-171.4	-63.2	78.9	0	0	0	111.1	D879 E919 R933	D879-N917 PolarHBondContact OD2-ND2 2.92Å; N917-E919 PolarHBondContact O-N 2.97Å; N917-R933 HydrophobicContact CB-CG 4.39Å; N917-R933 PolarHBondContact ND2-NH2 3.35Å; N917-R933 PolarHBondContact OD1-NE 2.9Å; N917-R933 VanDerWaalsContact OD1-NE 3.12Å; N917-R933 PolarHBondContact OD1-NH1 3.38Å; N917-R933 VanDerWaalsContact OD1-NH1 3.1Å; N917-R933 PolarHBondContact OD1-NH2 3.36Å
918	V	93	Very high	84.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.			trans	-75.7	117.3	-177.4	-172	0	0	0	0	108	V875 W880 N884 L915 D916 L927 C930 Q931 H932	V875-V918 HydrophobicContact CG1-CG2 4.05Å; W880-V918 HydrophobicContact CE3-CB 4.44Å; W880-V918 HydrophobicContact CZ3-CB 4.24Å; W880-V918 HydrophobicContact CZ3-CG2 4.47Å; N884-V918 VanDerWaalsContact ND2-C 3.33Å; N884-V918 PolarHBondContact ND2-O 3.3Å; N884-V918 PolarHBondContact OD1-O 3.06Å; L915-V918 HydrophobicContact CB-CG2 3.63Å; L915-V918 HydrophobicContact CD1-CG2 4.3Å; D916-V918 VanDerWaalsContact C-N 3.25Å; D916-V918 PolarHBondContact O-N 2.98Å; V918-L927 HydrophobicContact CG1-CD1 3.79Å; V918-L927 HydrophobicContact CG1-CG 4.31Å; V918-C930 HydrophobicContact CG1-CB 3.68Å; V918-Q931 WeakPolarHBondContact CA-O 3.44Å; V918-H932 HydrophobicContact CG2-CB 4.43Å
919	E	92.1	Very high	84.3	Confident	94 Å²	94	34.1 Å²	34.1	44%	0.439	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-115.5	102.7	178.3	-72.8	-177.5	-162.5	0	0	110.1	N917 C930 Q931	N917-E919 PolarHBondContact O-N 2.97Å; E919-C930 WeakPolarHBondContact O-CB 3.47Å; E919-Q931 HydrophobicContact CB-CB 4.33Å; E919-Q931 PolarHBondContact N-O 3.39Å; E919-Q931 PolarHBondContact O-N 3.22Å; E919-Q931 VanDerWaalsContact O-N 3.1Å
920	C	93	Very high	84.4	Confident	12 Å²	12	33.9 Å²	33.9	8%	0.081	19%	0.187	C	C	.	.			trans	-100.9	143.2	174.8	-58.8	0	0	0	0	110.8	S883 N884 V887 G922 E924 C930	S883-C920 VanDerWaalsContact CB-O 3.22Å; S883-C920 WeakPolarHBondContact CB-O 3.42Å; S883-C920 PolarHBondContact OG-O 3.3Å; N884-C920 WeakPolarHBondContact ND2-CB 3.33Å; N884-C920 PolarHBondContact ND2-N 2.94Å; N884-C920 PolarHBondContact ND2-SG 2.9Å; V887-C920 HydrophobicContact CG2-CB 3.96Å; C920-G922 VanDerWaalsContact C-N 3.25Å; C920-E924 WeakPolarHBondContact CB-OE2 3.35Å; C920-C930 HydrophobicContact CB-CB 3.98Å; C920-C930 WeakPolarHBondContact CB-SG 3.4Å; C920-C930 WeakPolarHBondContact SG-CB 2.92Å; C920-C930 CovalentContact SG-SG 2.02Å; C920-C930 PolarHBondContact SG-SG 3.48Å
921	T	87.7	Confident	85.2	Confident	111 Å²	111	36.5 Å²	36.5	68%	0.681	19%	0.19	S	C	*	.			trans	-76.5	-14.7	165.9	65.2	0	0	0	0	112.6	Q923 E924	T921-Q923 PolarHBondContact OG1-N 3.31Å; T921-E924 WeakPolarHBondContact CB-OE1 3.47Å; T921-E924 WeakPolarHBondContact CG2-OE1 3.44Å; T921-E924 VanDerWaalsContact N-CD 3.31Å; T921-E924 PolarHBondContact N-OE1 3.08Å; T921-E924 PolarHBondContact N-OE2 2.83Å; T921-E924 VanDerWaalsContact N-OE2 3.1Å; T921-E924 PolarHBondContact OG1-OE1 2.83Å; T921-E924 PolarHBondContact OG1-OE2 2.72Å
922	G	83.1	Confident	85.9	Confident	5 Å²	5	38.5 Å²	38.5	5%	0.052	20%	0.197	C	C	.	.	S	Bend	trans	92.4	-5.6	-176.8	0	0	0	0	0	113.5	C920 E924	C920-G922 VanDerWaalsContact C-N 3.25Å; G922-E924 PolarHBondContact N-OE2 2.91Å
923	Q	82.3	Confident	86	Confident	145 Å²	145	43.6 Å²	43.6	68%	0.678	22%	0.216	S	C	*	.			trans	-102.1	-9.4	-179.6	-62.9	-56.4	-44.4	0	0	113.1	R890 T921	R890-Q923 PolarHBondContact NH2-O 2.91Å; T921-Q923 PolarHBondContact OG1-N 3.31Å
924	E	88.3	Confident	85.5	Confident	31 Å²	31	44.3 Å²	44.3	15%	0.145	22%	0.223	C	C	.	.			trans	-58.8	146.2	178.5	-61.5	78.6	-172	0	0	110.7	V887 R890 C920 T921 G922 H929	V887-E924 HydrophobicContact CG1-CB 4.13Å; V887-E924 HydrophobicContact CG2-CB 4.01Å; R890-E924 PolarHBondContact NH2-O 3.36Å; C920-E924 WeakPolarHBondContact CB-OE2 3.35Å; T921-E924 WeakPolarHBondContact CB-OE1 3.47Å; T921-E924 WeakPolarHBondContact CG2-OE1 3.44Å; T921-E924 VanDerWaalsContact N-CD 3.31Å; T921-E924 PolarHBondContact N-OE1 3.08Å; T921-E924 PolarHBondContact N-OE2 2.83Å; T921-E924 VanDerWaalsContact N-OE2 3.1Å; T921-E924 PolarHBondContact OG1-OE1 2.83Å; T921-E924 PolarHBondContact OG1-OE2 2.72Å; G922-E924 PolarHBondContact N-OE2 2.91Å; E924-H929 HydrophobicContact CB-CB 4.49Å
925	V	78.1	Confident	85	Confident	66 Å²	66	46.3 Å²	46.3	40%	0.4	23%	0.232	S	C	.	.	S	Bend	trans	-81.1	-20	179.4	-63.6	0	0	0	0	112.5	F846 H929	F846-V925 HydrophobicContact CD1-CB 4.41Å; F846-V925 HydrophobicContact CD1-CG1 4.43Å; F846-V925 HydrophobicContact CD1-CG2 3.55Å; F846-V925 HydrophobicContact CE1-CG1 4.04Å; F846-V925 HydrophobicContact CE1-CG2 3.9Å; F846-V925 HydrophobicContact CG-CG2 4.3Å; F846-V925 HydrophobicContact CZ-CG1 4.47Å; V925-H929 WeakPolarHBondContact CG2-ND1 3.39Å
926	A	81.6	Confident	84	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	24%	0.237	C	C	.	.	S	Bend	trans	-153	150.1	-179.5	0	0	0	0	0	110.4	A848 V887 Q891 T928 H929	A848-A926 HydrophobicContact CB-CB 3.51Å; V887-A926 VanDerWaalsContact CG1-C 3.4Å; Q891-A926 HydrophobicContact CG-CB 4.4Å; Q891-A926 VanDerWaalsContact OE1-CA 3.27Å; A926-T928 PolarHBondContact O-N 2.72Å; A926-H929 WeakPolarHBondContact O-CB 3.32Å; A926-H929 PolarHBondContact O-N 2.63Å
927	L	87.6	Confident	83.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-60.4	-35	-178.9	-171.5	66.1	0	0	0	112.3	L851 V864 I866 V875 W880 N884 V888 L915 V918 H929 C930	L851-L927 HydrophobicContact CD1-CB 4.22Å; L851-L927 HydrophobicContact CD1-CD2 4.12Å; V864-L927 HydrophobicContact CG1-CD2 4.01Å; I866-L927 HydrophobicContact CD1-CD2 4.08Å; V875-L927 HydrophobicContact CG1-CD2 4.5Å; V875-L927 HydrophobicContact CG2-CD2 4.08Å; W880-L927 HydrophobicContact CH2-CD1 3.78Å; W880-L927 HydrophobicContact CH2-CD2 3.76Å; W880-L927 HydrophobicContact CH2-CG 4.42Å; W880-L927 HydrophobicContact CZ3-CD1 3.88Å; W880-L927 HydrophobicContact CZ3-CD2 4.11Å; N884-L927 HydrophobicContact CB-CD1 4.38Å; V888-L927 HydrophobicContact CG2-CB 4.27Å; V888-L927 HydrophobicContact CG2-CD1 3.88Å; V888-L927 HydrophobicContact CG2-CD2 3.74Å; V888-L927 HydrophobicContact CG2-CG 4.18Å; L915-L927 HydrophobicContact CD1-CD2 4.37Å; L915-L927 HydrophobicContact CD1-CG 4.27Å; V918-L927 HydrophobicContact CG1-CD1 3.79Å; V918-L927 HydrophobicContact CG1-CG 4.31Å; L927-H929 PolarHBondContact O-N 2.83Å; L927-C930 WeakPolarHBondContact O-CB 3.5Å; L927-C930 PolarHBondContact O-N 3.36Å
928	T	82.9	Confident	82.8	Confident	18 Å²	18	50.7 Å²	50.7	11%	0.11	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-70.2	-5.2	177.6	55.7	0	0	0	0	114.5	A849 I866 L915 A926 H932 F935	A849-T928 HydrophobicContact CB-CG2 3.69Å; I866-T928 HydrophobicContact CD1-CG2 4.3Å; I866-T928 HydrophobicContact CG2-CG2 4.43Å; L915-T928 HydrophobicContact CD1-CG2 4.32Å; A926-T928 PolarHBondContact O-N 2.72Å; T928-H932 PolarHBondContact O-NE2 2.83Å; T928-F935 HydrophobicContact CG2-CE1 4.11Å; T928-F935 HydrophobicContact CG2-CZ 3.54Å
929	H	78.1	Confident	81.9	Confident	81 Å²	81	53.4 Å²	53.4	38%	0.375	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-98	-9.4	174.2	-69.6	155.5	0	0	0	113.4	H847 E924 V925 A926 L927	H847-H929 PolarHBondContact O-CE1 3.22Å; H847-H929 PolarHBondContact O-NE2 3.36Å; E924-H929 HydrophobicContact CB-CB 4.49Å; V925-H929 WeakPolarHBondContact CG2-ND1 3.39Å; A926-H929 WeakPolarHBondContact O-CB 3.32Å; A926-H929 PolarHBondContact O-N 2.63Å; L927-H929 PolarHBondContact O-N 2.83Å
930	C	86.2	Confident	81.3	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	-67.6	160	173	-58.2	0	0	0	0	109.9	V918 E919 C920 L927 H932	V918-C930 HydrophobicContact CG1-CB 3.68Å; E919-C930 WeakPolarHBondContact O-CB 3.47Å; C920-C930 HydrophobicContact CB-CB 3.98Å; C920-C930 WeakPolarHBondContact CB-SG 3.4Å; C920-C930 WeakPolarHBondContact SG-CB 2.92Å; C920-C930 CovalentContact SG-SG 2.02Å; C920-C930 PolarHBondContact SG-SG 3.48Å; L927-C930 WeakPolarHBondContact O-CB 3.5Å; L927-C930 PolarHBondContact O-N 3.36Å; C930-H932 PolarHBondContact O-CD2 3.05Å; C930-H932 PolarHBondContact O-N 2.91Å
931	Q	87.2	Confident	80.4	Confident	140 Å²	140	50 Å²	50	65%	0.654	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-65.5	131.1	172.7	-179.8	172.6	-23.2	0	0	108.4	V918 E919	V918-Q931 WeakPolarHBondContact CA-O 3.44Å; E919-Q931 HydrophobicContact CB-CB 4.33Å; E919-Q931 PolarHBondContact N-O 3.39Å; E919-Q931 PolarHBondContact O-N 3.22Å; E919-Q931 VanDerWaalsContact O-N 3.1Å
932	H	87.3	Confident	80.3	Confident	52 Å²	52	46.3 Å²	46.3	24%	0.241	24%	0.235	C	C	.	.			trans	-153.4	163.6	179.4	59.7	69.3	0	0	0	109.3	L915 V918 T928 C930 G934	L915-H932 HydrophobicContact CD2-CB 4.27Å; V918-H932 HydrophobicContact CG2-CB 4.43Å; T928-H932 PolarHBondContact O-NE2 2.83Å; C930-H932 PolarHBondContact O-CD2 3.05Å; C930-H932 PolarHBondContact O-N 2.91Å; H932-G934 VanDerWaalsContact C-N 3.33Å; H932-G934 PolarHBondContact ND1-N 2.98Å; H932-G934 PolarHBondContact O-N 2.83Å
933	R	75.2	Confident	80.1	Confident	109 Å²	109	47.2 Å²	47.2	41%	0.411	25%	0.245	S	C	.	.	S	Bend	trans	-67.4	-32.1	-177.6	-71.8	179.7	172.6	168.1	3.7	113.9	D916 N917 E937 N939	D916-R933 PolarHBondContact O-N 2.85Å; D916-R933 IonicContact OD2-CZ 2.78Å; D916-R933 IonicContact OD2-NH1 3.05Å; D916-R933 PolarHBondContact OD2-NH1 3.47Å; N917-R933 HydrophobicContact CB-CG 4.39Å; N917-R933 PolarHBondContact ND2-NH2 3.35Å; N917-R933 PolarHBondContact OD1-NE 2.9Å; N917-R933 VanDerWaalsContact OD1-NE 3.12Å; N917-R933 PolarHBondContact OD1-NH1 3.38Å; N917-R933 VanDerWaalsContact OD1-NH1 3.1Å; N917-R933 PolarHBondContact OD1-NH2 3.36Å; R933-E937 HydrophobicContact CB-CB 4.31Å; R933-N939 PolarHBondContact NH1-OD1 3.24Å
934	G	74.1	Confident	80.5	Confident	16 Å²	16	43.6 Å²	43.6	17%	0.165	23%	0.228	C	C	.	.			trans	145	163.1	-177.5	0	0	0	0	0	109.5	H932 G936 E937	H932-G934 VanDerWaalsContact C-N 3.33Å; H932-G934 PolarHBondContact ND1-N 2.98Å; H932-G934 PolarHBondContact O-N 2.83Å; G934-G936 PolarHBondContact O-N 3.26Å; G934-E937 PolarHBondContact O-N 3Å
935	F	75.6	Confident	80.7	Confident	58 Å²	58	42.1 Å²	42.1	25%	0.254	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	124.4	177.5	-81.1	-90.4	0	0	0	111	I866 Y868 W914 L915 T928 E937	I866-F935 HydrophobicContact CG2-CE1 4.47Å; Y868-F935 HydrophobicContact CD1-CB 3.86Å; Y868-F935 AromaticContact CD1-CD1 3.54Å; Y868-F935 HydrophobicContact CD1-CD1 3.54Å; Y868-F935 HydrophobicContact CD1-CE1 4.26Å; Y868-F935 AromaticContact CD1-CG 3.81Å; Y868-F935 HydrophobicContact CD1-CG 3.81Å; Y868-F935 AromaticContact CD2-CD1 3.94Å; Y868-F935 HydrophobicContact CD2-CD1 3.94Å; Y868-F935 AromaticContact CD2-CE1 3.85Å; Y868-F935 HydrophobicContact CD2-CE1 3.85Å; Y868-F935 HydrophobicContact CD2-CG 4.34Å; Y868-F935 HydrophobicContact CD2-CZ 4.17Å; Y868-F935 HydrophobicContact CE1-CB 3.47Å; Y868-F935 VanDerWaalsContact CE1-CB 3.47Å; Y868-F935 AromaticContact CE1-CD1 3.88Å; Y868-F935 HydrophobicContact CE1-CD1 3.88Å; Y868-F935 HydrophobicContact CE1-CD2 4.3Å; Y868-F935 AromaticContact CE1-CG 3.63Å; Y868-F935 HydrophobicContact CE1-CG 3.63Å; Y868-F935 HydrophobicContact CE2-CD1 4.27Å; Y868-F935 HydrophobicContact CE2-CD2 4.25Å; Y868-F935 HydrophobicContact CE2-CE1 4.35Å; Y868-F935 HydrophobicContact CE2-CE2 4.33Å; Y868-F935 HydrophobicContact CE2-CG 4.2Å; Y868-F935 HydrophobicContact CE2-CZ 4.36Å; Y868-F935 AromaticContact CG-CD1 3.57Å; Y868-F935 HydrophobicContact CG-CD1 3.57Å; Y868-F935 AromaticContact CG-CE1 3.81Å; Y868-F935 HydrophobicContact CG-CE1 3.81Å; Y868-F935 HydrophobicContact CG-CG 4.16Å; Y868-F935 AromaticContact CZ-CG 3.85Å; W914-F935 HydrophobicContact CB-CD1 4.1Å; W914-F935 HydrophobicContact CG-CD1 4.48Å; W914-F935 CarbonylContact O-C 3.55Å; W914-F935 VanDerWaalsContact O-CA 3.24Å; W914-F935 WeakPolarHBondContact O-CA 3.49Å; L915-F935 HydrophobicContact CD2-CD1 4.09Å; L915-F935 HydrophobicContact CD2-CE1 4.01Å; L915-F935 HydrophobicContact CD2-CE2 4.44Å; L915-F935 HydrophobicContact CD2-CG 4.36Å; L915-F935 HydrophobicContact CD2-CZ 4.2Å; L915-F935 HydrophobicContact CG-CE1 4.45Å; T928-F935 HydrophobicContact CG2-CE1 4.11Å; T928-F935 HydrophobicContact CG2-CZ 3.54Å; F935-E937 PolarHBondContact O-N 2.96Å
936	G	69.8	Low	81.6	Confident	10 Å²	10	39 Å²	39	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-0.8	-179.7	0	0	0	0	0	114.1	N665 W914 G934 N938	N665-G936 PolarHBondContact OD1-O 3.27Å; W914-G936 PolarHBondContact O-N 3.27Å; G934-G936 PolarHBondContact O-N 3.26Å; G936-N938 PolarHBondContact O-N 3.46Å; G936-N938 PolarHBondContact O-ND2 3.19Å
937	E	75.3	Confident	82.3	Confident	98 Å²	98	39 Å²	39	46%	0.458	20%	0.202	S	C	.	.			trans	-90.3	93.9	174.1	-64.3	-167.9	-178.1	0	0	109.3	R933 G934 F935	R933-E937 HydrophobicContact CB-CB 4.31Å; G934-E937 PolarHBondContact O-N 3Å; F935-E937 PolarHBondContact O-N 2.96Å
938	N	81.2	Confident	82.8	Confident	10 Å²	10	39 Å²	39	5%	0.053	20%	0.202	C	C	.	.			trans	-144.3	157.5	-177.9	73.6	91.2	0	0	0	111.1	N665 I913 D916 G936 C940	N665-N938 PolarHBondContact ND2-ND2 3.18Å; N665-N938 PolarHBondContact ND2-O 3.03Å; N665-N938 PolarHBondContact ND2-OD1 3.14Å; N665-N938 PolarHBondContact OD1-ND2 2.92Å; I913-N938 HydrophobicContact CG2-CB 4.37Å; I913-N938 PolarHBondContact O-ND2 3.42Å; I913-N938 VanDerWaalsContact O-ND2 3.13Å; D916-N938 HydrophobicContact CB-CB 3.49Å; D916-N938 VanDerWaalsContact CB-CB 3.49Å; D916-N938 WeakPolarHBondContact OD2-CA 3.49Å; G936-N938 PolarHBondContact O-N 3.46Å; G936-N938 PolarHBondContact O-ND2 3.19Å; N938-C940 PolarHBondContact OD1-N 3.01Å; N938-C940 VanDerWaalsContact OD1-N 3.16Å; N938-C940 PolarHBondContact OD1-O 3.39Å
939	N	74.1	Confident	83.4	Confident	57 Å²	57	40.8 Å²	40.8	31%	0.305	21%	0.21	S	C	.	.			trans	-115.4	25.3	170.4	61.7	-99.2	0	0	0	112.6	D916 R933	D916-N939 PolarHBondContact OD2-N 3.46Å; D916-N939 PolarHBondContact OD2-OD1 2.78Å; R933-N939 PolarHBondContact NH1-OD1 3.24Å
940	C	79.4	Confident	84.2	Confident	7 Å²	7	37.4 Å²	37.4	5%	0.047	20%	0.196	C	C	.	.			trans	-104.7	154.9	-170.6	-52.3	0	0	0	0	111.4	C876 I913 D916 N938 E944	C876-C940 HydrophobicContact CB-CB 3.65Å; C876-C940 WeakPolarHBondContact CB-SG 3.43Å; C876-C940 WeakPolarHBondContact SG-CB 3.02Å; C876-C940 CovalentContact SG-SG 2.01Å; C876-C940 PolarHBondContact SG-SG 3.18Å; I913-C940 HydrophobicContact CD1-CB 4Å; I913-C940 WeakPolarHBondContact CD1-O 3.28Å; D916-C940 PolarHBondContact OD1-SG 3.26Å; N938-C940 PolarHBondContact OD1-N 3.01Å; N938-C940 VanDerWaalsContact OD1-N 3.16Å; N938-C940 PolarHBondContact OD1-O 3.39Å; C940-E944 VanDerWaalsContact CA-OE2 3.25Å; C940-E944 WeakPolarHBondContact CA-OE2 3.42Å; C940-E944 HydrophobicContact CB-CB 4.13Å
941	G	74.6	Confident	84.3	Confident	27 Å²	27	42.9 Å²	42.9	28%	0.278	22%	0.224	S	C	.	.			trans	-102.5	168	164.5	0	0	0	0	0	111.5	G943 E944	G941-G943 PolarHBondContact O-N 3.25Å; G941-E944 PolarHBondContact N-OE2 3.46Å; G941-E944 WeakPolarHBondContact O-CB 2.88Å; G941-E944 PolarHBondContact O-N 3.12Å
942	H	84.1	Confident	83.7	Confident	34 Å²	34	40.7 Å²	40.7	16%	0.157	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64.4	-3.7	174.9	-73.9	-51	0	0	0	114.7	T874 A904 R908 G909 S910 G911 E944 D945	T874-H942 PolarHBondContact OG1-CE1 3.49Å; T874-H942 PolarHBondContact OG1-ND1 3.07Å; A904-H942 WeakPolarHBondContact CB-O 3.05Å; R908-H942 HydrophobicContact CB-CB 4.07Å; R908-H942 VanDerWaalsContact CG-O 3.31Å; R908-H942 WeakPolarHBondContact CG-O 3.44Å; G909-H942 PolarHBondContact O-CD2 3.38Å; S910-H942 WeakPolarHBondContact CA-NE2 3.36Å; G911-H942 PolarHBondContact N-NE2 3.46Å; G911-H942 PolarHBondContact O-CE1 3.35Å; G911-H942 VanDerWaalsContact O-CE1 3.27Å; G911-H942 PolarHBondContact O-NE2 3.28Å; H942-E944 PolarHBondContact O-N 2.86Å; H942-D945 IonicContact CE1-OD1 3.23Å; H942-D945 IonicContact CG-OD1 2.73Å; H942-D945 IonicContact CG-OD2 3.46Å; H942-D945 IonicContact ND1-OD1 2.77Å; H942-D945 PolarHBondContact ND1-OD1 3.38Å; H942-D945 IonicContact ND1-OD2 3.31Å; H942-D945 PolarHBondContact ND1-OD2 3.1Å; H942-D945 VanDerWaalsContact ND1-OD2 3.14Å
943	G	78.8	Confident	83.5	Confident	24 Å²	24	40.1 Å²	40.1	25%	0.247	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-66.9	-18.7	165.2	0	0	0	0	0	113.5	S903 A904 G941	S903-G943 CarbonylContact C-O 3.31Å; S903-G943 VanDerWaalsContact CA-O 3.23Å; S903-G943 WeakPolarHBondContact CA-O 3.42Å; A904-G943 PolarHBondContact N-O 2.85Å; G941-G943 PolarHBondContact O-N 3.25Å
944	E	90.3	Very high	83.9	Confident	69 Å²	69	36.5 Å²	36.5	32%	0.322	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-109.6	19.1	-174.1	-70.2	162.7	134.9	0	0	111	C876 D877 C940 G941 H942 A946	C876-E944 CarbonylContact C-O 3.56Å; C876-E944 WeakPolarHBondContact CA-O 3.05Å; D877-E944 VanDerWaalsContact CB-O 3.25Å; D877-E944 WeakPolarHBondContact CB-O 3.05Å; D877-E944 PolarHBondContact N-O 3.24Å; D877-E944 WeakPolarHBondContact OD1-CB 3.39Å; C940-E944 VanDerWaalsContact CA-OE2 3.25Å; C940-E944 WeakPolarHBondContact CA-OE2 3.42Å; C940-E944 HydrophobicContact CB-CB 4.13Å; G941-E944 PolarHBondContact N-OE2 3.46Å; G941-E944 WeakPolarHBondContact O-CB 2.88Å; G941-E944 PolarHBondContact O-N 3.12Å; H942-E944 PolarHBondContact O-N 2.86Å; E944-A946 PolarHBondContact O-N 3.17Å
945	D	93.7	Very high	84.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-68.6	124.3	179.7	-71.9	-27.3	0	0	0	111.4	R863 T874 A904 G909 H942	R863-D945 WeakPolarHBondContact CD-OD2 3.48Å; R863-D945 HydrophobicContact CG-CB 4.06Å; T874-D945 WeakPolarHBondContact CB-OD1 3.37Å; T874-D945 PolarHBondContact OG1-OD1 2.98Å; A904-D945 VanDerWaalsContact CA-O 3.3Å; A904-D945 WeakPolarHBondContact CA-O 3.22Å; A904-D945 HydrophobicContact CB-CB 4.28Å; A904-D945 PolarHBondContact N-O 2.04Å; G909-D945 WeakPolarHBondContact CA-OD2 3.41Å; G909-D945 PolarHBondContact N-OD2 3.22Å; H942-D945 IonicContact CE1-OD1 3.23Å; H942-D945 IonicContact CG-OD1 2.73Å; H942-D945 IonicContact CG-OD2 3.46Å; H942-D945 IonicContact ND1-OD1 2.77Å; H942-D945 PolarHBondContact ND1-OD1 3.38Å; H942-D945 IonicContact ND1-OD2 3.31Å; H942-D945 PolarHBondContact ND1-OD2 3.1Å; H942-D945 VanDerWaalsContact ND1-OD2 3.14Å
946	A	96.8	Very high	85	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.232	C	C	.	.			trans	-71.9	144	178.7	0	0	0	0	0	112.8	V864 V875 D877 W880 E944	V864-A946 PolarHBondContact N-O 3.28Å; V875-A946 HydrophobicContact CB-CB 4.35Å; V875-A946 HydrophobicContact CG1-CB 4.37Å; V875-A946 WeakPolarHBondContact O-CB 3.46Å; V875-A946 PolarHBondContact O-N 2.87Å; D877-A946 HydrophobicContact CB-CB 4.19Å; W880-A946 HydrophobicContact CD2-CB 3.6Å; W880-A946 HydrophobicContact CE3-CB 4.07Å; W880-A946 HydrophobicContact CG-CB 3.81Å; W880-A946 HydrophobicContact CZ2-CB 4.14Å; E944-A946 PolarHBondContact O-N 3.17Å
947	G	96.6	Very high	85.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	169.9	174.3	0	0	0	0	0	112.8	G862 W880 P901	G862-G947 CarbonylContact O-C 3.59Å; G862-G947 VanDerWaalsContact O-CA 3.29Å; G862-G947 WeakPolarHBondContact O-CA 3.25Å; W880-G947 PolarHBondContact NE1-O 3.3Å; P901-G947 VanDerWaalsContact CD-O 3.28Å; P901-G947 WeakPolarHBondContact CD-O 3.46Å; P901-G947 PolarHBondContact O-N 2.6Å
948	V	96.8	Very high	86.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.7	171.4	-59.4	0	0	0	0	111.7	L853 S861 G862 V864 W880 A885 V888	L853-V948 HydrophobicContact CD1-CG2 3.52Å; L853-V948 HydrophobicContact CD2-CG2 3.49Å; L853-V948 VanDerWaalsContact CD2-CG2 3.49Å; L853-V948 HydrophobicContact CG-CG2 4.17Å; S861-V948 WeakPolarHBondContact CA-O 3.4Å; G862-V948 PolarHBondContact N-O 2.72Å; G862-V948 PolarHBondContact O-N 3.09Å; V864-V948 HydrophobicContact CG2-CB 4.49Å; V864-V948 HydrophobicContact CG2-CG1 3.74Å; V864-V948 HydrophobicContact CG2-CG2 4.16Å; W880-V948 HydrophobicContact CZ2-CG1 3.84Å; A885-V948 HydrophobicContact CB-CB 4.36Å; A885-V948 HydrophobicContact CB-CG1 3.64Å; V888-V948 HydrophobicContact CB-CG1 4.09Å; V888-V948 HydrophobicContact CG1-CG1 4.12Å; V888-V948 HydrophobicContact CG1-CG2 3.87Å; V888-V948 HydrophobicContact CG2-CG1 4.39Å
949	I	96.1	Very high	87	Confident	56 Å²	56	35.8 Å²	35.8	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.6	163.6	-55.8	-179.7	0	0	0	107.3	V898 S899 P901 F906	V898-I949 WeakPolarHBondContact CA-O 3.4Å; V898-I949 HydrophobicContact CB-CG2 4.4Å; V898-I949 WeakPolarHBondContact CB-O 3.26Å; V898-I949 PolarHBondContact N-O 2.83Å; S899-I949 PolarHBondContact N-O 2.04Å; S899-I949 VanDerWaalsContact N-O 3.17Å; S899-I949 PolarHBondContact O-N 3.17Å; S899-I949 VanDerWaalsContact O-N 3.09Å; S899-I949 WeakPolarHBondContact OG-CB 3.36Å; S899-I949 WeakPolarHBondContact OG-CD1 3.46Å; S899-I949 WeakPolarHBondContact OG-CG1 3.5Å; P901-I949 HydrophobicContact CG-CD1 4.28Å; P901-I949 HydrophobicContact CG-CG1 4.14Å; F906-I949 HydrophobicContact CE2-CG1 4.26Å; F906-I949 HydrophobicContact CZ-CD1 4.02Å; F906-I949 HydrophobicContact CZ-CG1 3.71Å
950	C	95.1	Very high	88	Confident	10 Å²	10	34.2 Å²	34.2	7%	0.068	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	167.4	-179.7	-46.7	0	0	0	0	111.6	C860 C889 C894 G952	C860-C950 HydrophobicContact CB-CB 4.1Å; C860-C950 WeakPolarHBondContact O-CB 3.07Å; C860-C950 PolarHBondContact O-N 2.84Å; C860-C950 PolarHBondContact O-SG 2.9Å; C889-C950 WeakPolarHBondContact CA-SG 3.39Å; C889-C950 HydrophobicContact CB-CB 3.67Å; C889-C950 WeakPolarHBondContact CB-SG 3.33Å; C889-C950 WeakPolarHBondContact SG-CA 3.41Å; C889-C950 WeakPolarHBondContact SG-CB 3.29Å; C889-C950 CovalentContact SG-SG 2.03Å; C889-C950 PolarHBondContact SG-SG 2.89Å; C894-C950 HydrophobicContact CB-CB 3.58Å; C950-G952 VanDerWaalsContact C-N 3.29Å; C950-G952 PolarHBondContact O-N 3.41Å
951	L	88.4	Confident	88.7	Confident	121 Å²	121	36.4 Å²	36.4	63%	0.634	25%	0.248	S	C	*	.			trans	-61.1	-34.4	178.5	-96	146.4	0	0	0	113.7	H896 V898	H896-L951 HydrophobicContact CB-CD1 3.68Å; H896-L951 PolarHBondContact O-N 2.87Å; V898-L951 HydrophobicContact CG2-CB 4.4Å; V898-L951 HydrophobicContact CG2-CD2 4.48Å; V898-L951 HydrophobicContact CG2-CG 3.81Å
952	G	73.6	Confident	90	Very high	94 Å²	94	37.3 Å²	37.3	97%	0.969	25%	0.245	S	C	*	.			trans	99.7	0	175.1	0	0	0	0	0	114.5	C894 C950	C894-G952 PolarHBondContact O-N 3.08Å; C950-G952 VanDerWaalsContact C-N 3.29Å; C950-G952 PolarHBondContact O-N 3.41Å

Retrieved 952 of 952 residues in 179.3 ms (Link to these results)

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