A0A3Q0KPU5_SCHMA Loading...

Phosphoglycerate mutase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 829 aa.

						>A0A3Q0KPU5_SCHMA|A0A3Q0KPU5
MADEVCDSPPGLLDFTVINRGQKIIDELKNSDFPSKHALYAAVFTGFRSVRLAAEWISSRLNDPLFIKDFEIDFHVLLSLGGNFESDVSSFLSAARVALGWDYVCDHRAQIPLLHLRVKPHDALHLKSVFVKSFGLSIPLLLTDDKPLEFIVDTDTSVVCKFSDSRIYTLLQKISETFLEKLKKADVNVCVVSNPGKLNYPFTLVSSINNAEKNPVLNQLNEMYLSGRYIINEFDQSVNHQLKFCLYSHDPRLRDPSYEVFEMLTDLESYSSSPFINPHITNDYNKSGDQKSSTFINCNTKLTDSSNNSQSQCDVSSNQVPVCAINSPGCRERFLEHYVGDYILLFDSVSFNERQGCPLGINLCTGESGLFNISAGRRVPQSQTWTLHCSVPLNLTSPAKSCLKQNCPTNTNNVNHNEEFKKLSSQNSSLIAKSTNSTYPILSPCLSNSSEHSSSFFSSSSSSASSSSSSTSDPVKSKSSVQTTITTNNSNNNNNNNTDKHISDHPCDLYFTNGANSTCHNEFQSSLTNDELNESNLKCINTNNYQSSVKRHTQNKSRQMYVMRHAERVDITFGHGWITQCFNHKGVYRRFNLNLPPWLPTRTDCFEYILDSPITQIGLFVSAETGRALADAGVYFTACYCSPAFRCVQTACELLRAMGRSDLSIRIEPHLFEWYGWYVGGCIPKMMTVHQLKHAGYNVDTNYTPLSSYNDNDKYESIQGYCDRTAVLIKRILNVHKSKDTCLLIVAHASSLDTCTRHLVCHGFRNSLSTDEFHHRTSIVPYCGLLLAQENRRWNLINPPIPNSCSYTRNSDFDWKQLLGPALCNFKIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	41.2	Very low	254 Å²	254	126.6 Å²	126.6	100%	1.251	75%	0.753	S	S	*	*				0	45.4	0	-65.5	-170.9	-174.6	0	0	110
2	A	33.7	Very low	44.8	Very low	84 Å²	84	118.8 Å²	118.8	69%	0.694	70%	0.704	S	S	*	*			trans	-114.3	140.8	169	0	0	0	0	0	105.6
3	D	38.9	Very low	48.2	Very low	146 Å²	146	111.8 Å²	111.8	78%	0.781	66%	0.661	S	S	*	*			trans	81.3	57.4	170.6	-48.9	-22.2	0	0	0	117	V5	D3-V5 VanDerWaalsContact C-N 3.3Å
4	E	36.4	Very low	51.3	Low	190 Å²	190	106.7 Å²	106.7	89%	0.888	63%	0.629	S	S	*	*			trans	-88.6	77.2	141.6	-79.7	-174	173.8	0	0	108.1	C6	E4-C6 VanDerWaalsContact C-N 3.32Å; E4-C6 PolarHBondContact O-N 3.32Å; E4-C6 VanDerWaalsContact O-N 3.1Å
5	V	37.7	Very low	54	Low	118 Å²	118	108.4 Å²	108.4	72%	0.715	63%	0.626	S	S	*	*			trans	-73.4	96.5	160.9	178.8	0	0	0	0	105.6	D3 D7	D3-V5 VanDerWaalsContact C-N 3.3Å; V5-D7 PolarHBondContact O-N 3.29Å; V5-D7 VanDerWaalsContact O-N 3.09Å
6	C	36.6	Very low	56.5	Low	108 Å²	108	108 Å²	108	73%	0.73	63%	0.626	S	S	*	*			trans	-54.1	116.5	168.3	-81.9	0	0	0	0	108.7	E4 S8	E4-C6 VanDerWaalsContact C-N 3.32Å; E4-C6 PolarHBondContact O-N 3.32Å; E4-C6 VanDerWaalsContact O-N 3.1Å; C6-S8 PolarHBondContact O-N 3.26Å
7	D	35.2	Very low	58.8	Low	162 Å²	162	102.9 Å²	102.9	87%	0.866	60%	0.597	S	S	*	*			trans	-58.7	85.4	169.6	-83.5	-38.1	0	0	0	109.7	V5	V5-D7 PolarHBondContact O-N 3.29Å; V5-D7 VanDerWaalsContact O-N 3.09Å
8	S	39.4	Very low	60.9	Low	80 Å²	80	98.6 Å²	98.6	56%	0.559	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-61.1	135.4	163	57.9	0	0	0	0	108.6	C6	C6-S8 PolarHBondContact O-N 3.26Å
9	P	40.7	Very low	62.8	Low	72 Å²	72	99 Å²	99	47%	0.468	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-58.4	143.2	-173.5	20.7	-29.9	0	0	0	110.7	G11 L12	P9-G11 PolarHBondContact O-N 3.16Å; P9-G11 VanDerWaalsContact O-N 3.11Å; P9-L12 HydrophobicContact CG-CD1 3.89Å
10	P	47.8	Very low	64.4	Low	136 Å²	136	101.8 Å²	101.8	88%	0.883	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	119.6	-162.9	22.8	-31.6	0	0	0	111
11	G	73.5	Confident	66	Low	43 Å²	43	97 Å²	97	44%	0.443	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	32.5	161.4	0	0	0	0	0	117.7	P9 K132	P9-G11 PolarHBondContact O-N 3.16Å; P9-G11 VanDerWaalsContact O-N 3.11Å; G11-K132 WeakPolarHBondContact O-CE 3.26Å; G11-K132 PolarHBondContact O-NZ 3.17Å
12	L	84.2	Confident	69	Low	33 Å²	33	88.3 Å²	88.3	17%	0.173	50%	0.501	C	S	.	.	S	Bend	trans	-86.3	-29	168.7	-76.2	157.3	0	0	0	114.4	P9 K132 K181 K184 A185	P9-L12 HydrophobicContact CG-CD1 3.89Å; L12-K132 WeakPolarHBondContact O-CD 3.19Å; L12-K181 HydrophobicContact CD2-CB 4.06Å; L12-K181 HydrophobicContact CD2-CG 3.92Å; L12-K184 HydrophobicContact CD1-CB 3.6Å; L12-K184 HydrophobicContact CD2-CB 4.42Å; L12-A185 HydrophobicContact CB-CB 4.15Å; L12-A185 HydrophobicContact CD1-CB 4.37Å
13	L	89.7	Confident	72.1	Confident	28 Å²	28	90.5 Å²	90.5	15%	0.147	50%	0.495	C	S	.	.	S	Bend	trans	-92.5	147.7	179.6	-59.7	174.9	0	0	0	111.4	V129 K132 A185	L13-V129 HydrophobicContact CD2-CG2 3.7Å; L13-K132 PolarHBondContact O-NZ 3.28Å; L13-A185 HydrophobicContact CD2-CB 4.42Å
14	D	91.4	Very high	74.9	Confident	40 Å²	40	84 Å²	84	21%	0.214	46%	0.46	C	S	.	.			trans	-88.2	103.9	161.6	-171.3	-34.2	0	0	0	109.4	T16 V17 I18 S128 K132	D14-T16 PolarHBondContact O-N 3.2Å; D14-T16 WeakPolarHBondContact OD1-CB 3.41Å; D14-T16 PolarHBondContact OD1-N 3.18Å; D14-T16 PolarHBondContact OD1-OG1 2.91Å; D14-V17 HydrophobicContact CB-CB 4.28Å; D14-V17 HydrophobicContact CB-CG2 4Å; D14-V17 PolarHBondContact O-N 3.43Å; D14-V17 PolarHBondContact OD1-N 3.32Å; D14-I18 WeakPolarHBondContact O-CG1 3.48Å; D14-I18 PolarHBondContact O-N 2.76Å; D14-I18 VanDerWaalsContact O-N 3.15Å; D14-S128 WeakPolarHBondContact CA-OG 3.35Å; D14-S128 PolarHBondContact N-OG 2.91Å; D14-S128 PolarHBondContact O-OG 3.06Å; D14-K132 HydrophobicContact CB-CB 4.45Å
15	F	91.9	Very high	77.8	Confident	132 Å²	132	75.4 Å²	75.4	58%	0.579	42%	0.42	S	S	*	.	H	α-helix	trans	-64.8	-24.7	-178.7	-72.3	-74.1	0	0	0	113.5	V17 I18 N19	F15-V17 VanDerWaalsContact C-N 3.33Å; F15-I18 PolarHBondContact O-N 3.08Å; F15-N19 VanDerWaalsContact O-CB 3.25Å; F15-N19 WeakPolarHBondContact O-CB 3.3Å; F15-N19 PolarHBondContact O-N 3.01Å; F15-N19 PolarHBondContact O-ND2 3.21Å
16	T	93.9	Very high	80.6	Confident	102 Å²	102	72.6 Å²	72.6	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-68.2	-39	176.6	71	0	0	0	0	110.8	D14 R20	D14-T16 PolarHBondContact O-N 3.2Å; D14-T16 WeakPolarHBondContact OD1-CB 3.41Å; D14-T16 PolarHBondContact OD1-N 3.18Å; D14-T16 PolarHBondContact OD1-OG1 2.91Å; T16-R20 WeakPolarHBondContact O-CB 3.31Å; T16-R20 PolarHBondContact O-N 3.43Å; T16-R20 VanDerWaalsContact O-N 3.16Å
17	V	95.1	Very high	83.5	Confident	21 Å²	21	71.2 Å²	71.2	13%	0.127	38%	0.384	C	S	.	.	H	α-helix	trans	-67.5	-46.8	175.2	177.6	0	0	0	0	110.8	D14 F15 R20 G21 L124 K127 V131	D14-V17 HydrophobicContact CB-CB 4.28Å; D14-V17 HydrophobicContact CB-CG2 4Å; D14-V17 PolarHBondContact O-N 3.43Å; D14-V17 PolarHBondContact OD1-N 3.32Å; F15-V17 VanDerWaalsContact C-N 3.33Å; V17-R20 PolarHBondContact O-N 2.71Å; V17-G21 PolarHBondContact O-N 3.07Å; V17-L124 HydrophobicContact CG1-CD1 4.47Å; V17-K127 HydrophobicContact CG1-CB 4.48Å; V17-K127 HydrophobicContact CG1-CD 4.11Å; V17-K127 HydrophobicContact CG1-CG 3.98Å; V17-V131 HydrophobicContact CG2-CB 4.18Å; V17-V131 HydrophobicContact CG2-CG1 4.16Å; V17-V131 HydrophobicContact CG2-CG2 4.14Å
18	I	96.6	Very high	86.4	Confident	25 Å²	25	63.5 Å²	63.5	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-53.6	178.6	-63.2	-59.6	0	0	0	110.6	D14 F15 R20 G21 Q22 L124	D14-I18 WeakPolarHBondContact O-CG1 3.48Å; D14-I18 PolarHBondContact O-N 2.76Å; D14-I18 VanDerWaalsContact O-N 3.15Å; F15-I18 PolarHBondContact O-N 3.08Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 2.9Å; I18-G21 PolarHBondContact O-N 3.07Å; I18-G21 VanDerWaalsContact O-N 3.16Å; I18-Q22 WeakPolarHBondContact O-CB 3.29Å; I18-Q22 PolarHBondContact O-N 3.23Å; I18-L124 HydrophobicContact CD1-CG 3.92Å
19	N	96.7	Very high	89.1	Confident	107 Å²	107	63.2 Å²	63.2	57%	0.572	33%	0.331	S	S	*	.	H	α-helix	trans	-60	-40.7	-177.2	-70.7	-16.4	0	0	0	111.9	F15 K23	F15-N19 VanDerWaalsContact O-CB 3.25Å; F15-N19 WeakPolarHBondContact O-CB 3.3Å; F15-N19 PolarHBondContact O-N 3.01Å; F15-N19 PolarHBondContact O-ND2 3.21Å; N19-K23 VanDerWaalsContact O-CB 3.3Å; N19-K23 WeakPolarHBondContact O-CB 3.19Å; N19-K23 PolarHBondContact O-N 2.96Å
20	R	96.1	Very high	91.7	Very high	154 Å²	154	66.1 Å²	66.1	58%	0.581	34%	0.343	S	S	*	.	H	α-helix	trans	-65.6	-44.8	176.8	-178.3	177.8	173.3	173.3	0.2	112	T16 V17 I18 I24 R48	T16-R20 WeakPolarHBondContact O-CB 3.31Å; T16-R20 PolarHBondContact O-N 3.43Å; T16-R20 VanDerWaalsContact O-N 3.16Å; V17-R20 PolarHBondContact O-N 2.71Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 2.9Å; R20-I24 WeakPolarHBondContact O-CG1 3.41Å; R20-I24 PolarHBondContact O-N 2.98Å; R20-R48 PolarHBondContact NH2-O 3.12Å
21	G	96.8	Very high	93.7	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-42.5	178.9	0	0	0	0	0	112.4	V17 I18 I24 I25	V17-G21 PolarHBondContact O-N 3.07Å; I18-G21 PolarHBondContact O-N 3.07Å; I18-G21 VanDerWaalsContact O-N 3.16Å; G21-I24 WeakPolarHBondContact O-CB 3.48Å; G21-I24 PolarHBondContact O-N 3.49Å; G21-I25 PolarHBondContact O-N 2.86Å
22	Q	97.3	Very high	94.5	Very high	73 Å²	73	68.3 Å²	68.3	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-42.9	178.4	-170.7	56.3	47.3	0	0	111.5	I18 I24 I25 D26	I18-Q22 WeakPolarHBondContact O-CB 3.29Å; I18-Q22 PolarHBondContact O-N 3.23Å; Q22-I24 VanDerWaalsContact C-N 3.27Å; Q22-I24 PolarHBondContact O-N 3.48Å; Q22-I25 PolarHBondContact O-N 2.83Å; Q22-I25 VanDerWaalsContact O-N 3.1Å; Q22-D26 WeakPolarHBondContact CG-OD2 3.42Å; Q22-D26 PolarHBondContact NE2-OD1 3.24Å; Q22-D26 PolarHBondContact NE2-OD2 2.67Å; Q22-D26 PolarHBondContact O-N 3.4Å
23	K	97.5	Very high	94.9	Very high	130 Å²	130	69 Å²	69	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-54.9	-41.5	173.6	-179.5	174.9	176.2	175.5	0	112.5	N19 D26 E27	N19-K23 VanDerWaalsContact O-CB 3.3Å; N19-K23 WeakPolarHBondContact O-CB 3.19Å; N19-K23 PolarHBondContact O-N 2.96Å; K23-D26 PolarHBondContact O-N 3.02Å; K23-E27 WeakPolarHBondContact CE-OE1 3.32Å; K23-E27 IonicContact NZ-OE1 3.8Å; K23-E27 WeakPolarHBondContact O-CB 3.31Å; K23-E27 WeakPolarHBondContact O-CG 3.48Å; K23-E27 PolarHBondContact O-N 3.33Å
24	I	97.8	Very high	95	Very high	10 Å²	10	71.1 Å²	71.1	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-45.5	177.6	-67.7	167.1	0	0	0	110.9	R20 G21 Q22 D26 L28 A42 F47 V50	R20-I24 WeakPolarHBondContact O-CG1 3.41Å; R20-I24 PolarHBondContact O-N 2.98Å; G21-I24 WeakPolarHBondContact O-CB 3.48Å; G21-I24 PolarHBondContact O-N 3.49Å; Q22-I24 VanDerWaalsContact C-N 3.27Å; Q22-I24 PolarHBondContact O-N 3.48Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.19Å; I24-L28 HydrophobicContact CG2-CD1 4.16Å; I24-L28 WeakPolarHBondContact O-CD1 3.37Å; I24-L28 VanDerWaalsContact O-CG 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.27Å; I24-L28 PolarHBondContact O-N 3.37Å; I24-A42 HydrophobicContact CG2-CB 4.27Å; I24-F47 VanDerWaalsContact CD1-C 3.49Å; I24-F47 HydrophobicContact CD1-CB 4.38Å; I24-F47 WeakPolarHBondContact CD1-O 3.5Å; I24-V50 HydrophobicContact CB-CG2 4.09Å; I24-V50 HydrophobicContact CG1-CG2 4.05Å; I24-V50 HydrophobicContact CG2-CG2 3.97Å
25	I	97.2	Very high	95	Very high	9 Å²	9	72.8 Å²	72.8	5%	0.046	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-43.4	179.2	-66.5	166.4	0	0	0	110.7	G21 Q22 L28 K29 L39 A42 F47	G21-I25 PolarHBondContact O-N 2.86Å; Q22-I25 PolarHBondContact O-N 2.83Å; Q22-I25 VanDerWaalsContact O-N 3.1Å; I25-L28 PolarHBondContact O-N 2.91Å; I25-K29 HydrophobicContact CG2-CD 4.18Å; I25-K29 VanDerWaalsContact CG2-CE 3.47Å; I25-K29 WeakPolarHBondContact O-CG 3.38Å; I25-K29 PolarHBondContact O-N 3.18Å; I25-L39 HydrophobicContact CD1-CD1 4Å; I25-A42 HydrophobicContact CG1-CB 3.8Å; I25-F47 HydrophobicContact CD1-CE1 4.18Å
26	D	97.5	Very high	95	Very high	59 Å²	59	69.9 Å²	69.9	32%	0.316	36%	0.362	S	S	.	.	H	α-helix	trans	-72.6	-38.7	-176.2	-64.9	-26.1	0	0	0	112.3	Q22 K23 I24 L28 K29 N30	Q22-D26 WeakPolarHBondContact CG-OD2 3.42Å; Q22-D26 PolarHBondContact NE2-OD1 3.24Å; Q22-D26 PolarHBondContact NE2-OD2 2.67Å; Q22-D26 PolarHBondContact O-N 3.4Å; K23-D26 PolarHBondContact O-N 3.02Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.19Å; D26-L28 VanDerWaalsContact C-N 3.29Å; D26-L28 PolarHBondContact O-N 3.24Å; D26-K29 PolarHBondContact O-N 2.93Å; D26-K29 IonicContact OD1-NZ 3.8Å; D26-N30 WeakPolarHBondContact O-CB 3.39Å; D26-N30 PolarHBondContact O-N 2.9Å; D26-N30 PolarHBondContact O-ND2 2.95Å
27	E	97.4	Very high	94.9	Very high	78 Å²	78	67.1 Å²	67.1	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-35.8	172.9	-76.9	-177.5	-160.1	0	0	112.3	K23 S31 V50	K23-E27 WeakPolarHBondContact CE-OE1 3.32Å; K23-E27 IonicContact NZ-OE1 3.8Å; K23-E27 WeakPolarHBondContact O-CB 3.31Å; K23-E27 WeakPolarHBondContact O-CG 3.48Å; K23-E27 PolarHBondContact O-N 3.33Å; E27-S31 PolarHBondContact O-N 2.92Å; E27-S31 PolarHBondContact O-OG 3.24Å; E27-V50 HydrophobicContact CB-CG1 4.23Å; E27-V50 HydrophobicContact CB-CG2 3.79Å; E27-V50 WeakPolarHBondContact OE2-CG2 3.49Å
28	L	96.3	Very high	94.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-43.5	173.5	-69.8	165.6	0	0	0	112	I24 I25 D26 N30 S31 F33 A38 V50 A53 A54 I57	I24-L28 HydrophobicContact CG2-CD1 4.16Å; I24-L28 WeakPolarHBondContact O-CD1 3.37Å; I24-L28 VanDerWaalsContact O-CG 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.27Å; I24-L28 PolarHBondContact O-N 3.37Å; I25-L28 PolarHBondContact O-N 2.91Å; D26-L28 VanDerWaalsContact C-N 3.29Å; D26-L28 PolarHBondContact O-N 3.24Å; L28-N30 VanDerWaalsContact C-N 3.29Å; L28-N30 PolarHBondContact O-N 3.44Å; L28-S31 WeakPolarHBondContact O-CA 2.92Å; L28-S31 WeakPolarHBondContact O-CB 3.22Å; L28-S31 PolarHBondContact O-N 3.39Å; L28-F33 HydrophobicContact CB-CD2 4.36Å; L28-F33 HydrophobicContact CD2-CD2 4.06Å; L28-F33 HydrophobicContact CD2-CE2 4.24Å; L28-F33 WeakPolarHBondContact O-CD2 3.2Å; L28-F33 PolarHBondContact O-N 2.79Å; L28-A38 HydrophobicContact CB-CB 3.7Å; L28-A38 HydrophobicContact CD1-CB 4.36Å; L28-V50 HydrophobicContact CD2-CG1 3.96Å; L28-V50 HydrophobicContact CG-CG1 4.23Å; L28-A53 HydrophobicContact CD1-CB 3.57Å; L28-A53 HydrophobicContact CD2-CB 4.19Å; L28-A53 HydrophobicContact CG-CB 4.45Å; L28-A54 HydrophobicContact CD2-CB 3.91Å; L28-I57 HydrophobicContact CD2-CD1 4.46Å
29	K	95.5	Very high	94.9	Very high	74 Å²	74	66.7 Å²	66.7	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-38.3	175.8	-71.8	170.8	-177.4	166.7	0	112.1	I25 D26 S31 D32 S35 A38	I25-K29 HydrophobicContact CG2-CD 4.18Å; I25-K29 VanDerWaalsContact CG2-CE 3.47Å; I25-K29 WeakPolarHBondContact O-CG 3.38Å; I25-K29 PolarHBondContact O-N 3.18Å; D26-K29 PolarHBondContact O-N 2.93Å; D26-K29 IonicContact OD1-NZ 3.8Å; K29-S31 PolarHBondContact O-N 3.49Å; K29-D32 PolarHBondContact O-N 2.79Å; K29-S35 WeakPolarHBondContact CE-OG 3.41Å; K29-A38 HydrophobicContact CG-CB 4Å
30	N	94.7	Very high	94.8	Very high	133 Å²	133	62.2 Å²	62.2	71%	0.711	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-15	175.5	-67.3	-18.8	0	0	0	113	D26 L28 D32	D26-N30 WeakPolarHBondContact O-CB 3.39Å; D26-N30 PolarHBondContact O-N 2.9Å; D26-N30 PolarHBondContact O-ND2 2.95Å; L28-N30 VanDerWaalsContact C-N 3.29Å; L28-N30 PolarHBondContact O-N 3.44Å; N30-D32 VanDerWaalsContact C-N 3.29Å
31	S	91.5	Very high	94.7	Very high	68 Å²	68	54.9 Å²	54.9	48%	0.476	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	24.7	173.6	-51.6	0	0	0	0	112.2	E27 L28 K29 F33	E27-S31 PolarHBondContact O-N 2.92Å; E27-S31 PolarHBondContact O-OG 3.24Å; L28-S31 WeakPolarHBondContact O-CA 2.92Å; L28-S31 WeakPolarHBondContact O-CB 3.22Å; L28-S31 PolarHBondContact O-N 3.39Å; K29-S31 PolarHBondContact O-N 3.49Å; S31-F33 PolarHBondContact O-N 3.02Å
32	D	89.5	Confident	94.7	Very high	158 Å²	158	54.8 Å²	54.8	85%	0.845	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	11.8	178.9	-58.2	-44.9	0	0	0	116.4	K29 N30	K29-D32 PolarHBondContact O-N 2.79Å; N30-D32 VanDerWaalsContact C-N 3.29Å
33	F	91.7	Very high	94.7	Very high	47 Å²	47	51.3 Å²	51.3	21%	0.206	27%	0.269	C	S	.	.			trans	-73	134.8	171.9	-67.2	-66.6	0	0	0	111.1	L28 S31 S35 A54 I57	L28-F33 HydrophobicContact CB-CD2 4.36Å; L28-F33 HydrophobicContact CD2-CD2 4.06Å; L28-F33 HydrophobicContact CD2-CE2 4.24Å; L28-F33 WeakPolarHBondContact O-CD2 3.2Å; L28-F33 PolarHBondContact O-N 2.79Å; S31-F33 PolarHBondContact O-N 3.02Å; F33-S35 PolarHBondContact O-N 3.14Å; F33-A54 HydrophobicContact CE2-CB 4.1Å; F33-A54 HydrophobicContact CZ-CB 4.41Å; F33-I57 HydrophobicContact CB-CD1 4.07Å; F33-I57 HydrophobicContact CD1-CB 4.2Å; F33-I57 HydrophobicContact CD1-CD1 3.84Å; F33-I57 HydrophobicContact CD1-CG2 3.56Å; F33-I57 HydrophobicContact CD2-CD1 4.08Å; F33-I57 HydrophobicContact CE1-CB 3.99Å; F33-I57 HydrophobicContact CE1-CD1 4.26Å; F33-I57 HydrophobicContact CE1-CG2 3.59Å; F33-I57 HydrophobicContact CE2-CD1 4.49Å; F33-I57 HydrophobicContact CG-CD1 3.72Å
34	P	91.6	Very high	94.6	Very high	72 Å²	72	45.7 Å²	45.7	47%	0.468	25%	0.245	S	C	.	.			trans	-56	140.5	175.6	-23.2	31.5	0	0	0	111.6	K36 H37 A38	P34-K36 PolarHBondContact O-N 2.83Å; P34-H37 HydrophobicContact CB-CB 4.49Å; P34-H37 WeakPolarHBondContact O-CA 3.44Å; P34-H37 WeakPolarHBondContact O-CB 3.46Å; P34-H37 PolarHBondContact O-N 3.3Å; P34-A38 PolarHBondContact O-N 3.06Å
35	S	92.4	Very high	94.5	Very high	76 Å²	76	46.1 Å²	46.1	53%	0.531	25%	0.248	S	C	.	.	H	α-helix	trans	-51.9	-38.6	-173.9	-76.7	0	0	0	0	114.1	K29 F33 L39	K29-S35 WeakPolarHBondContact CE-OG 3.41Å; F33-S35 PolarHBondContact O-N 3.14Å; S35-L39 PolarHBondContact O-N 3.42Å; S35-L39 VanDerWaalsContact O-N 3.11Å
36	K	91.5	Very high	94.5	Very high	71 Å²	71	45.7 Å²	45.7	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-41.7	176.2	-168.2	177.3	-172.5	177.2	0	111.9	P34 L39 Y40 D69	P34-K36 PolarHBondContact O-N 2.83Å; K36-L39 PolarHBondContact O-N 2.72Å; K36-Y40 HydrophobicContact CD-CE2 4.08Å; K36-Y40 WeakPolarHBondContact CE-OH 3.48Å; K36-Y40 HydrophobicContact CG-CD2 4.25Å; K36-Y40 HydrophobicContact CG-CE1 4.02Å; K36-Y40 HydrophobicContact CG-CE2 3.66Å; K36-Y40 WeakPolarHBondContact O-CD1 3.45Å; K36-Y40 PolarHBondContact O-N 3.23Å; K36-D69 IonicContact NZ-OD1 3.54Å; K36-D69 PolarHBondContact NZ-OD1 2.91Å
37	H	92.8	Very high	94.5	Very high	43 Å²	43	43 Å²	43	20%	0.199	23%	0.231	C	C	.	.	H	α-helix	trans	-69.5	-43.6	-179.9	-66.2	60.6	0	0	0	111.1	P34 L39 Y40 A41 I57 F66	P34-H37 HydrophobicContact CB-CB 4.49Å; P34-H37 WeakPolarHBondContact O-CA 3.44Å; P34-H37 WeakPolarHBondContact O-CB 3.46Å; P34-H37 PolarHBondContact O-N 3.3Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 3.1Å; H37-Y40 PolarHBondContact O-N 2.98Å; H37-A41 VanDerWaalsContact O-CB 3.31Å; H37-A41 WeakPolarHBondContact O-CB 3.33Å; H37-A41 PolarHBondContact O-N 2.89Å; H37-I57 HydrophobicContact CB-CD1 4.36Å; H37-I57 HydrophobicContact CB-CG2 4.43Å; H37-F66 HydrophobicContact CB-CD1 4.44Å; H37-F66 HydrophobicContact CB-CE1 3.95Å; H37-F66 AromaticContact CD2-CD1 3.31Å; H37-F66 WeakPolarHBondContact CD2-CD1 3.36Å; H37-F66 AromaticContact CD2-CD2 3.88Å; H37-F66 AromaticContact CD2-CE1 3.25Å; H37-F66 WeakPolarHBondContact CD2-CE1 3.43Å; H37-F66 AromaticContact CD2-CE2 3.81Å; H37-F66 AromaticContact CD2-CG 3.64Å; H37-F66 AromaticContact CD2-CZ 3.5Å; H37-F66 VanDerWaalsContact CD2-CZ 3.5Å; H37-F66 WeakPolarHBondContact CD2-CZ 3.42Å; H37-F66 AromaticContact CE1-CD1 3.73Å; H37-F66 AromaticContact CE1-CG 3.87Å; H37-F66 AromaticContact CG-CD1 3.64Å; H37-F66 AromaticContact CG-CE1 3.56Å; H37-F66 AromaticContact ND1-CD1 3.88Å; H37-F66 AromaticContact NE2-CD1 3.39Å; H37-F66 WeakPolarHBondContact NE2-CD1 3.39Å; H37-F66 AromaticContact NE2-CD2 3.7Å; H37-F66 AromaticContact NE2-CE1 3.85Å; H37-F66 AromaticContact NE2-CG 3.3Å; H37-F66 VanDerWaalsContact NE2-CG 3.3Å; H37-F66 WeakPolarHBondContact NE2-CG 3.49Å
38	A	95.2	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-45.6	174.8	0	0	0	0	0	111.9	L28 K29 P34 A42	L28-A38 HydrophobicContact CB-CB 3.7Å; L28-A38 HydrophobicContact CD1-CB 4.36Å; K29-A38 HydrophobicContact CG-CB 4Å; P34-A38 PolarHBondContact O-N 3.06Å; A38-A42 WeakPolarHBondContact O-CB 3.34Å; A38-A42 PolarHBondContact O-N 3.43Å; A38-A42 VanDerWaalsContact O-N 3.08Å
39	L	95.5	Very high	94.4	Very high	37 Å²	37	46.6 Å²	46.6	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-50.5	175.8	176.6	62.4	0	0	0	111.5	I25 S35 K36 H37 A41 A42 V43 P120 H121	I25-L39 HydrophobicContact CD1-CD1 4Å; S35-L39 PolarHBondContact O-N 3.42Å; S35-L39 VanDerWaalsContact O-N 3.11Å; K36-L39 PolarHBondContact O-N 2.72Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 3.1Å; L39-A41 PolarHBondContact O-N 2.97Å; L39-A42 PolarHBondContact O-N 2.98Å; L39-V43 HydrophobicContact CD1-CG2 4.16Å; L39-V43 VanDerWaalsContact O-CG2 3.3Å; L39-V43 WeakPolarHBondContact O-CG2 3.42Å; L39-V43 PolarHBondContact O-N 3.41Å; L39-P120 HydrophobicContact CD2-CB 4.16Å; L39-P120 HydrophobicContact CG-CB 4.39Å; L39-H121 HydrophobicContact CD2-CB 4.37Å
40	Y	94.7	Very high	94.5	Very high	13 Å²	13	44.6 Å²	44.6	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-45.8	-176.4	-68.1	-2.9	0	0	0	111.5	K36 H37 A42 V43 F44 F66 F70 P120	K36-Y40 HydrophobicContact CD-CE2 4.08Å; K36-Y40 WeakPolarHBondContact CE-OH 3.48Å; K36-Y40 HydrophobicContact CG-CD2 4.25Å; K36-Y40 HydrophobicContact CG-CE1 4.02Å; K36-Y40 HydrophobicContact CG-CE2 3.66Å; K36-Y40 WeakPolarHBondContact O-CD1 3.45Å; K36-Y40 PolarHBondContact O-N 3.23Å; H37-Y40 PolarHBondContact O-N 2.98Å; Y40-A42 VanDerWaalsContact C-N 3.33Å; Y40-A42 PolarHBondContact O-N 3.11Å; Y40-V43 PolarHBondContact O-N 3.08Å; Y40-V43 VanDerWaalsContact O-N 3.13Å; Y40-F44 WeakPolarHBondContact O-CD2 3.48Å; Y40-F44 PolarHBondContact O-N 2.88Å; Y40-F66 AromaticContact CD2-CD1 3.81Å; Y40-F66 HydrophobicContact CD2-CD1 3.81Å; Y40-F66 AromaticContact CD2-CE1 3.95Å; Y40-F66 HydrophobicContact CD2-CE1 3.95Å; Y40-F66 HydrophobicContact CE2-CD1 4.4Å; Y40-F70 HydrophobicContact CD1-CZ 4.24Å; Y40-F70 AromaticContact CD2-CE1 3.87Å; Y40-F70 HydrophobicContact CD2-CE1 3.87Å; Y40-F70 AromaticContact CD2-CZ 3.78Å; Y40-F70 HydrophobicContact CD2-CZ 3.78Å; Y40-F70 HydrophobicContact CE1-CE1 4.41Å; Y40-F70 HydrophobicContact CE1-CZ 4.13Å; Y40-F70 HydrophobicContact CE2-CD1 4.45Å; Y40-F70 AromaticContact CE2-CE1 3.34Å; Y40-F70 HydrophobicContact CE2-CE1 3.34Å; Y40-F70 AromaticContact CE2-CZ 3.64Å; Y40-F70 HydrophobicContact CE2-CZ 3.64Å; Y40-F70 HydrophobicContact CG-CZ 4.06Å; Y40-F70 AromaticContact CZ-CE1 3.62Å; Y40-F70 AromaticContact CZ-CZ 3.78Å; Y40-P120 HydrophobicContact CD1-CB 3.79Å; Y40-P120 HydrophobicContact CD1-CG 4.09Å; Y40-P120 HydrophobicContact CE1-CB 3.56Å; Y40-P120 HydrophobicContact CE1-CG 3.58Å
41	A	94.7	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-42.6	177.1	0	0	0	0	0	112.5	H37 L39 V43 T45 A53 W56 I57	H37-A41 VanDerWaalsContact O-CB 3.31Å; H37-A41 WeakPolarHBondContact O-CB 3.33Å; H37-A41 PolarHBondContact O-N 2.89Å; L39-A41 PolarHBondContact O-N 2.97Å; A41-V43 VanDerWaalsContact C-N 3.31Å; A41-V43 PolarHBondContact O-N 3.2Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 VanDerWaalsContact O-CG2 3.31Å; A41-T45 WeakPolarHBondContact O-CG2 3.41Å; A41-T45 PolarHBondContact O-N 2.97Å; A41-T45 PolarHBondContact O-OG1 3.03Å; A41-A53 HydrophobicContact CB-CB 3.91Å; A41-A53 WeakPolarHBondContact CB-O 3.43Å; A41-W56 VanDerWaalsContact CA-CE3 3.46Å; A41-W56 HydrophobicContact CB-CD2 4.33Å; A41-W56 HydrophobicContact CB-CE3 3.49Å; A41-W56 VanDerWaalsContact CB-CE3 3.49Å; A41-W56 HydrophobicContact CB-CZ3 3.99Å; A41-I57 HydrophobicContact CB-CD1 3.63Å; A41-I57 HydrophobicContact CB-CG1 3.35Å
42	A	97.1	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-41.8	175.3	0	0	0	0	0	111.4	I24 I25 A38 L39 Y40 T45 G46 F47	I24-A42 HydrophobicContact CG2-CB 4.27Å; I25-A42 HydrophobicContact CG1-CB 3.8Å; A38-A42 WeakPolarHBondContact O-CB 3.34Å; A38-A42 PolarHBondContact O-N 3.43Å; A38-A42 VanDerWaalsContact O-N 3.08Å; L39-A42 PolarHBondContact O-N 2.98Å; Y40-A42 VanDerWaalsContact C-N 3.33Å; Y40-A42 PolarHBondContact O-N 3.11Å; A42-T45 PolarHBondContact O-OG1 2.86Å; A42-G46 PolarHBondContact O-N 3.02Å; A42-F47 HydrophobicContact CB-CD1 3.75Å; A42-F47 HydrophobicContact CB-CE1 3.86Å; A42-F47 WeakPolarHBondContact O-CA 3.19Å; A42-F47 PolarHBondContact O-N 3.15Å
43	V	96.8	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-50.6	178.1	-179.1	0	0	0	0	111.9	L39 Y40 A41 T45 G46 F47 I72 F74 A123 H388	L39-V43 HydrophobicContact CD1-CG2 4.16Å; L39-V43 VanDerWaalsContact O-CG2 3.3Å; L39-V43 WeakPolarHBondContact O-CG2 3.42Å; L39-V43 PolarHBondContact O-N 3.41Å; Y40-V43 PolarHBondContact O-N 3.08Å; Y40-V43 VanDerWaalsContact O-N 3.13Å; A41-V43 VanDerWaalsContact C-N 3.31Å; A41-V43 PolarHBondContact O-N 3.2Å; V43-T45 PolarHBondContact O-N 2.76Å; V43-G46 PolarHBondContact O-N 3.02Å; V43-F47 HydrophobicContact CB-CZ 4.41Å; V43-F47 HydrophobicContact CG2-CE1 4.22Å; V43-F47 HydrophobicContact CG2-CE2 4.29Å; V43-F47 HydrophobicContact CG2-CZ 3.62Å; V43-I72 HydrophobicContact CB-CD1 4.25Å; V43-I72 HydrophobicContact CG1-CD1 3.39Å; V43-F74 HydrophobicContact CG1-CZ 4.19Å; V43-A123 HydrophobicContact CB-CB 4.47Å; V43-A123 HydrophobicContact CG1-CB 3.8Å; V43-A123 HydrophobicContact CG2-CB 3.73Å; V43-H388 PolarHBondContact O-CE1 2.88Å
44	F	95.4	Very high	95.2	Very high	12 Å²	12	38 Å²	38	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-21.1	-178.2	-79.5	-67.5	0	0	0	113.4	Y40 W56 F70 I72 P251 T386	Y40-F44 WeakPolarHBondContact O-CD2 3.48Å; Y40-F44 PolarHBondContact O-N 2.88Å; F44-W56 HydrophobicContact CB-CD2 4.38Å; F44-W56 HydrophobicContact CB-CH2 4.48Å; F44-W56 HydrophobicContact CB-CZ2 3.77Å; F44-W56 HydrophobicContact CD1-CZ2 4.48Å; F44-W56 AromaticContact CD2-CH2 3.5Å; F44-W56 HydrophobicContact CD2-CH2 3.5Å; F44-W56 AromaticContact CD2-CZ2 3.32Å; F44-W56 HydrophobicContact CD2-CZ2 3.32Å; F44-W56 HydrophobicContact CD2-CZ3 4.43Å; F44-W56 HydrophobicContact CE2-CH2 4.06Å; F44-W56 HydrophobicContact CE2-CZ2 4.02Å; F44-W56 HydrophobicContact CG-CH2 4.23Å; F44-W56 AromaticContact CG-CZ2 3.6Å; F44-W56 HydrophobicContact CG-CZ2 3.6Å; F44-F70 AromaticContact CE2-CE2 3.9Å; F44-F70 HydrophobicContact CE2-CE2 3.9Å; F44-F70 AromaticContact CE2-CZ 3.8Å; F44-F70 HydrophobicContact CE2-CZ 3.8Å; F44-F70 AromaticContact CZ-CE2 3.78Å; F44-F70 HydrophobicContact CZ-CE2 3.78Å; F44-F70 HydrophobicContact CZ-CZ 4.1Å; F44-I72 HydrophobicContact CZ-CD1 4.34Å; F44-I72 HydrophobicContact CZ-CG1 4.42Å; F44-P251 HydrophobicContact CZ-CG 4.47Å; F44-T386 WeakPolarHBondContact O-CB 3.1Å; F44-T386 WeakPolarHBondContact O-CG2 3.26Å; F44-T386 PolarHBondContact O-OG1 2.95Å
45	T	96.3	Very high	95.2	Very high	18 Å²	18	38.8 Å²	38.8	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.9	173.3	63.1	0	0	0	0	113.6	A41 A42 V43 F47 R48 L52 W56	A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 VanDerWaalsContact O-CG2 3.31Å; A41-T45 WeakPolarHBondContact O-CG2 3.41Å; A41-T45 PolarHBondContact O-N 2.97Å; A41-T45 PolarHBondContact O-OG1 3.03Å; A42-T45 PolarHBondContact O-OG1 2.86Å; V43-T45 PolarHBondContact O-N 2.76Å; T45-F47 VanDerWaalsContact C-N 3.33Å; T45-F47 PolarHBondContact O-N 3.25Å; T45-R48 WeakPolarHBondContact O-CB 3.35Å; T45-R48 WeakPolarHBondContact O-CD 3.17Å; T45-R48 WeakPolarHBondContact O-CG 3.41Å; T45-R48 PolarHBondContact O-N 2.87Å; T45-L52 HydrophobicContact CG2-CB 4.3Å; T45-W56 HydrophobicContact CG2-CB 3.94Å; T45-W56 HydrophobicContact CG2-CG 4.19Å
46	G	96.9	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	21.9	173.9	0	0	0	0	0	114.8	A42 V43 R48 K127 H388	A42-G46 PolarHBondContact O-N 3.02Å; V43-G46 PolarHBondContact O-N 3.02Å; G46-R48 VanDerWaalsContact C-N 3.27Å; G46-R48 PolarHBondContact O-N 3.38Å; G46-K127 PolarHBondContact O-NZ 2.85Å; G46-H388 WeakPolarHBondContact CA-ND1 3.44Å
47	F	97.3	Very high	95.3	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.7	-174.4	-50.2	-88	0	0	0	112.4	I24 I25 A42 V43 T45 A123 L124 K127	I24-F47 VanDerWaalsContact CD1-C 3.49Å; I24-F47 HydrophobicContact CD1-CB 4.38Å; I24-F47 WeakPolarHBondContact CD1-O 3.5Å; I25-F47 HydrophobicContact CD1-CE1 4.18Å; A42-F47 HydrophobicContact CB-CD1 3.75Å; A42-F47 HydrophobicContact CB-CE1 3.86Å; A42-F47 WeakPolarHBondContact O-CA 3.19Å; A42-F47 PolarHBondContact O-N 3.15Å; V43-F47 HydrophobicContact CB-CZ 4.41Å; V43-F47 HydrophobicContact CG2-CE1 4.22Å; V43-F47 HydrophobicContact CG2-CE2 4.29Å; V43-F47 HydrophobicContact CG2-CZ 3.62Å; T45-F47 VanDerWaalsContact C-N 3.33Å; T45-F47 PolarHBondContact O-N 3.25Å; F47-A123 HydrophobicContact CE2-CB 4.33Å; F47-A123 HydrophobicContact CZ-CB 4.21Å; F47-L124 HydrophobicContact CD1-CD1 4.19Å; F47-L124 HydrophobicContact CD2-CD1 4.42Å; F47-L124 HydrophobicContact CE1-CB 4.04Å; F47-L124 HydrophobicContact CE1-CD1 4.19Å; F47-L124 HydrophobicContact CE1-CG 4.5Å; F47-L124 HydrophobicContact CE2-CB 4.35Å; F47-L124 HydrophobicContact CE2-CD1 4.41Å; F47-L124 HydrophobicContact CG-CD1 4.3Å; F47-L124 HydrophobicContact CZ-CB 3.74Å; F47-L124 HydrophobicContact CZ-CD1 4.28Å; F47-K127 HydrophobicContact CD2-CD 3.9Å
48	R	94.8	Very high	95.3	Very high	112 Å²	112	34.7 Å²	34.7	42%	0.423	17%	0.17	S	C	.	.			trans	-81.1	-52.7	-174.4	-72.5	-179.8	74.8	-150.4	2	113	R20 T45 G46 L52	R20-R48 PolarHBondContact NH2-O 3.12Å; T45-R48 WeakPolarHBondContact O-CB 3.35Å; T45-R48 WeakPolarHBondContact O-CD 3.17Å; T45-R48 WeakPolarHBondContact O-CG 3.41Å; T45-R48 PolarHBondContact O-N 2.87Å; G46-R48 VanDerWaalsContact C-N 3.27Å; G46-R48 PolarHBondContact O-N 3.38Å; R48-L52 HydrophobicContact CB-CD1 4.14Å
49	S	96.3	Very high	95	Very high	41 Å²	41	37 Å²	37	29%	0.287	19%	0.186	S	C	.	.			trans	-158.2	155.8	-180	69.8	0	0	0	0	111.7	R51 L52 A53	S49-R51 VanDerWaalsContact C-N 3.33Å; S49-L52 WeakPolarHBondContact OG-CG 3.15Å; S49-L52 PolarHBondContact OG-N 3.21Å; S49-A53 PolarHBondContact O-N 3.43Å
50	V	96.9	Very high	94.7	Very high	33 Å²	33	35.7 Å²	35.7	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-41.7	174	174.5	0	0	0	0	111.3	I24 E27 L28 L52 A53 A54	I24-V50 HydrophobicContact CB-CG2 4.09Å; I24-V50 HydrophobicContact CG1-CG2 4.05Å; I24-V50 HydrophobicContact CG2-CG2 3.97Å; E27-V50 HydrophobicContact CB-CG1 4.23Å; E27-V50 HydrophobicContact CB-CG2 3.79Å; E27-V50 WeakPolarHBondContact OE2-CG2 3.49Å; L28-V50 HydrophobicContact CD2-CG1 3.96Å; L28-V50 HydrophobicContact CG-CG1 4.23Å; V50-L52 PolarHBondContact O-N 3.4Å; V50-A53 PolarHBondContact O-N 2.91Å; V50-A54 WeakPolarHBondContact O-CB 3.47Å; V50-A54 PolarHBondContact O-N 3.01Å
51	R	96.2	Very high	94.1	Very high	182 Å²	182	41 Å²	41	69%	0.687	21%	0.207	S	C	*	.	H	α-helix	trans	-55.9	-51.4	179.2	179.3	178	172.5	172.3	0.9	112.6	S49 A53 A54 E55	S49-R51 VanDerWaalsContact C-N 3.33Å; R51-A53 VanDerWaalsContact C-N 3.3Å; R51-A53 PolarHBondContact O-N 3.45Å; R51-A54 PolarHBondContact O-N 3.26Å; R51-E55 WeakPolarHBondContact CG-OE1 3.31Å; R51-E55 IonicContact CZ-OE1 3.9Å; R51-E55 IonicContact NE-OE1 2.92Å; R51-E55 PolarHBondContact NE-OE1 2.8Å; R51-E55 IonicContact NH2-OE1 3.48Å; R51-E55 PolarHBondContact NH2-OE1 2.92Å; R51-E55 WeakPolarHBondContact O-CG 3.29Å; R51-E55 PolarHBondContact O-N 3.04Å
52	L	95	Very high	93.4	Very high	61 Å²	61	46.7 Å²	46.7	32%	0.319	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-39.3	-179.1	-71.9	174	0	0	0	111.5	T45 R48 S49 V50 W56	T45-L52 HydrophobicContact CG2-CB 4.3Å; R48-L52 HydrophobicContact CB-CD1 4.14Å; S49-L52 WeakPolarHBondContact OG-CG 3.15Å; S49-L52 PolarHBondContact OG-N 3.21Å; V50-L52 PolarHBondContact O-N 3.4Å; L52-W56 WeakPolarHBondContact O-CB 3.45Å; L52-W56 PolarHBondContact O-N 3.33Å
53	A	95.7	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-40.6	177.4	0	0	0	0	0	112.1	L28 A41 S49 V50 R51 W56 I57	L28-A53 HydrophobicContact CD1-CB 3.57Å; L28-A53 HydrophobicContact CD2-CB 4.19Å; L28-A53 HydrophobicContact CG-CB 4.45Å; A41-A53 HydrophobicContact CB-CB 3.91Å; A41-A53 WeakPolarHBondContact CB-O 3.43Å; S49-A53 PolarHBondContact O-N 3.43Å; V50-A53 PolarHBondContact O-N 2.91Å; R51-A53 VanDerWaalsContact C-N 3.3Å; R51-A53 PolarHBondContact O-N 3.45Å; A53-W56 WeakPolarHBondContact O-CB 3.4Å; A53-W56 PolarHBondContact O-N 3.04Å; A53-I57 WeakPolarHBondContact O-CG1 3.42Å; A53-I57 PolarHBondContact O-N 2.99Å
54	A	95.2	Very high	92.3	Very high	24 Å²	24	50.6 Å²	50.6	20%	0.198	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-44.6	176	0	0	0	0	0	111.5	L28 F33 V50 R51 W56 I57 S58	L28-A54 HydrophobicContact CD2-CB 3.91Å; F33-A54 HydrophobicContact CE2-CB 4.1Å; F33-A54 HydrophobicContact CZ-CB 4.41Å; V50-A54 WeakPolarHBondContact O-CB 3.47Å; V50-A54 PolarHBondContact O-N 3.01Å; R51-A54 PolarHBondContact O-N 3.26Å; A54-W56 VanDerWaalsContact C-N 3.31Å; A54-W56 PolarHBondContact O-N 3.08Å; A54-I57 PolarHBondContact O-N 3.24Å; A54-S58 WeakPolarHBondContact O-CB 3.48Å; A54-S58 PolarHBondContact O-N 3.25Å; A54-S58 PolarHBondContact O-OG 3.32Å
55	E	93.3	Very high	91.7	Very high	89 Å²	89	51.2 Å²	51.2	42%	0.416	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-44.7	173.8	-74	169.5	-176.2	0	0	110.7	R51 I57 S58 S59	R51-E55 WeakPolarHBondContact CG-OE1 3.31Å; R51-E55 IonicContact CZ-OE1 3.9Å; R51-E55 IonicContact NE-OE1 2.92Å; R51-E55 PolarHBondContact NE-OE1 2.8Å; R51-E55 IonicContact NH2-OE1 3.48Å; R51-E55 PolarHBondContact NH2-OE1 2.92Å; R51-E55 WeakPolarHBondContact O-CG 3.29Å; R51-E55 PolarHBondContact O-N 3.04Å; E55-I57 PolarHBondContact O-N 2.91Å; E55-S58 PolarHBondContact O-N 2.94Å; E55-S59 PolarHBondContact O-N 2.72Å; E55-S59 PolarHBondContact O-OG 3.3Å
56	W	93.6	Very high	91.1	Very high	33 Å²	33	51.3 Å²	51.3	13%	0.125	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-45.9	177	-173.3	91.9	0	0	0	112.9	A41 F44 T45 L52 A53 A54 S58 S59 R60 F66	A41-W56 VanDerWaalsContact CA-CE3 3.46Å; A41-W56 HydrophobicContact CB-CD2 4.33Å; A41-W56 HydrophobicContact CB-CE3 3.49Å; A41-W56 VanDerWaalsContact CB-CE3 3.49Å; A41-W56 HydrophobicContact CB-CZ3 3.99Å; F44-W56 HydrophobicContact CB-CD2 4.38Å; F44-W56 HydrophobicContact CB-CH2 4.48Å; F44-W56 HydrophobicContact CB-CZ2 3.77Å; F44-W56 HydrophobicContact CD1-CZ2 4.48Å; F44-W56 AromaticContact CD2-CH2 3.5Å; F44-W56 HydrophobicContact CD2-CH2 3.5Å; F44-W56 AromaticContact CD2-CZ2 3.32Å; F44-W56 HydrophobicContact CD2-CZ2 3.32Å; F44-W56 HydrophobicContact CD2-CZ3 4.43Å; F44-W56 HydrophobicContact CE2-CH2 4.06Å; F44-W56 HydrophobicContact CE2-CZ2 4.02Å; F44-W56 HydrophobicContact CG-CH2 4.23Å; F44-W56 AromaticContact CG-CZ2 3.6Å; F44-W56 HydrophobicContact CG-CZ2 3.6Å; T45-W56 HydrophobicContact CG2-CB 3.94Å; T45-W56 HydrophobicContact CG2-CG 4.19Å; L52-W56 WeakPolarHBondContact O-CB 3.45Å; L52-W56 PolarHBondContact O-N 3.33Å; A53-W56 WeakPolarHBondContact O-CB 3.4Å; A53-W56 PolarHBondContact O-N 3.04Å; A54-W56 VanDerWaalsContact C-N 3.31Å; A54-W56 PolarHBondContact O-N 3.08Å; W56-S58 VanDerWaalsContact C-N 3.33Å; W56-S58 PolarHBondContact O-N 2.75Å; W56-S59 PolarHBondContact O-N 3.31Å; W56-S59 PolarHBondContact O-OG 2.9Å; W56-R60 VanDerWaalsContact CE2-CD 3.49Å; W56-R60 VanDerWaalsContact CZ2-CD 3.45Å; W56-R60 PolarHBondContact O-N 2.97Å; W56-F66 HydrophobicContact CH2-CE1 4.32Å; W56-F66 AromaticContact CH2-CZ 3.96Å; W56-F66 HydrophobicContact CH2-CZ 3.96Å; W56-F66 AromaticContact CZ3-CE1 3.99Å; W56-F66 HydrophobicContact CZ3-CE1 3.99Å; W56-F66 AromaticContact CZ3-CZ 3.56Å; W56-F66 HydrophobicContact CZ3-CZ 3.56Å
57	I	92.3	Very high	90.3	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-44.6	177	-61.4	168.3	0	0	0	110.5	L28 F33 H37 A41 A53 A54 E55 S59 R60	L28-I57 HydrophobicContact CD2-CD1 4.46Å; F33-I57 HydrophobicContact CB-CD1 4.07Å; F33-I57 HydrophobicContact CD1-CB 4.2Å; F33-I57 HydrophobicContact CD1-CD1 3.84Å; F33-I57 HydrophobicContact CD1-CG2 3.56Å; F33-I57 HydrophobicContact CD2-CD1 4.08Å; F33-I57 HydrophobicContact CE1-CB 3.99Å; F33-I57 HydrophobicContact CE1-CD1 4.26Å; F33-I57 HydrophobicContact CE1-CG2 3.59Å; F33-I57 HydrophobicContact CE2-CD1 4.49Å; F33-I57 HydrophobicContact CG-CD1 3.72Å; H37-I57 HydrophobicContact CB-CD1 4.36Å; H37-I57 HydrophobicContact CB-CG2 4.43Å; A41-I57 HydrophobicContact CB-CD1 3.63Å; A41-I57 HydrophobicContact CB-CG1 3.35Å; A53-I57 WeakPolarHBondContact O-CG1 3.42Å; A53-I57 PolarHBondContact O-N 2.99Å; A54-I57 PolarHBondContact O-N 3.24Å; E55-I57 PolarHBondContact O-N 2.91Å; I57-S59 VanDerWaalsContact C-N 3.26Å; I57-S59 PolarHBondContact O-N 3.48Å; I57-R60 PolarHBondContact O-N 3.43Å
58	S	91.1	Very high	89.6	Confident	68 Å²	68	63.8 Å²	63.8	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-34.2	-174.9	-54.9	0	0	0	0	111.7	A54 E55 W56 R60	A54-S58 WeakPolarHBondContact O-CB 3.48Å; A54-S58 PolarHBondContact O-N 3.25Å; A54-S58 PolarHBondContact O-OG 3.32Å; E55-S58 PolarHBondContact O-N 2.94Å; W56-S58 VanDerWaalsContact C-N 3.33Å; W56-S58 PolarHBondContact O-N 2.75Å; S58-R60 VanDerWaalsContact C-N 3.29Å; S58-R60 PolarHBondContact O-N 3.07Å
59	S	89.8	Confident	89.2	Confident	49 Å²	49	64.4 Å²	64.4	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-73.7	-15	175	61.9	0	0	0	0	114.5	E55 W56 I57 C364 T365	E55-S59 PolarHBondContact O-N 2.72Å; E55-S59 PolarHBondContact O-OG 3.3Å; W56-S59 PolarHBondContact O-N 3.31Å; W56-S59 PolarHBondContact O-OG 2.9Å; I57-S59 VanDerWaalsContact C-N 3.26Å; I57-S59 PolarHBondContact O-N 3.48Å; S59-C364 PolarHBondContact OG-O 3.3Å; S59-T365 WeakPolarHBondContact O-CA 3.36Å; S59-T365 WeakPolarHBondContact O-CB 3.47Å
60	R	89.8	Confident	89	Confident	9 Å²	9	63.9 Å²	63.9	3%	0.034	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	22	-167.3	-71.2	-169.3	168	-148.6	16.2	115.1	W56 I57 S58 N62 D63 F66 D250 L363 C364 T365	W56-R60 VanDerWaalsContact CE2-CD 3.49Å; W56-R60 VanDerWaalsContact CZ2-CD 3.45Å; W56-R60 PolarHBondContact O-N 2.97Å; I57-R60 PolarHBondContact O-N 3.43Å; S58-R60 VanDerWaalsContact C-N 3.29Å; S58-R60 PolarHBondContact O-N 3.07Å; R60-N62 PolarHBondContact O-N 3.22Å; R60-D63 HydrophobicContact CB-CB 3.99Å; R60-D63 IonicContact CZ-OD2 3.15Å; R60-D63 IonicContact NE-OD2 2.85Å; R60-D63 IonicContact NH1-OD2 2.65Å; R60-D63 PolarHBondContact NH1-OD2 3.35Å; R60-D63 WeakPolarHBondContact O-CB 3.25Å; R60-D63 PolarHBondContact O-N 3.35Å; R60-F66 HydrophobicContact CB-CE2 4.07Å; R60-F66 VanDerWaalsContact O-CE2 3.24Å; R60-F66 WeakPolarHBondContact O-CE2 3.13Å; R60-D250 IonicContact NH1-OD2 3.16Å; R60-D250 IonicContact NH2-OD2 2.97Å; R60-D250 PolarHBondContact NH2-OD2 3.4Å; R60-L363 PolarHBondContact NH2-O 2.94Å; R60-C364 WeakPolarHBondContact CG-O 3.31Å; R60-C364 PolarHBondContact NE-O 2.72Å; R60-C364 VanDerWaalsContact NE-O 3.12Å; R60-T365 WeakPolarHBondContact CA-O 3.48Å
61	L	80.6	Confident	88.9	Confident	124 Å²	124	65.5 Å²	65.5	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-28.4	-173.7	-66.2	172	0	0	0	114.6
62	N	80.7	Confident	88.9	Confident	121 Å²	121	56.9 Å²	56.9	65%	0.647	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	7.6	179.6	-60.3	-36.2	0	0	0	114.4	R60 P64 E367	R60-N62 PolarHBondContact O-N 3.22Å; N62-P64 VanDerWaalsContact O-CD 3.28Å; N62-P64 WeakPolarHBondContact O-CD 3.44Å; N62-E367 PolarHBondContact ND2-OE1 3.03Å
63	D	87.4	Confident	89	Confident	4 Å²	4	54 Å²	54	2%	0.021	29%	0.287	C	S	.	.			trans	-67.4	119.7	-174.2	-169.1	-21.1	0	0	0	111.2	R60 L65 F66 R252 G366	R60-D63 HydrophobicContact CB-CB 3.99Å; R60-D63 IonicContact CZ-OD2 3.15Å; R60-D63 IonicContact NE-OD2 2.85Å; R60-D63 IonicContact NH1-OD2 2.65Å; R60-D63 PolarHBondContact NH1-OD2 3.35Å; R60-D63 WeakPolarHBondContact O-CB 3.25Å; R60-D63 PolarHBondContact O-N 3.35Å; D63-L65 PolarHBondContact O-N 3.37Å; D63-L65 WeakPolarHBondContact OD1-CB 3.41Å; D63-L65 WeakPolarHBondContact OD1-CG 3.44Å; D63-L65 PolarHBondContact OD1-N 3.48Å; D63-F66 HydrophobicContact CB-CD2 4.04Å; D63-F66 HydrophobicContact CB-CE2 4.03Å; D63-F66 WeakPolarHBondContact O-CD2 3.27Å; D63-F66 PolarHBondContact O-N 2.87Å; D63-F66 VanDerWaalsContact O-N 3.1Å; D63-R252 IonicContact OD1-CZ 3.46Å; D63-R252 IonicContact OD1-NH1 3.1Å; D63-R252 PolarHBondContact OD1-NH1 3.47Å; D63-R252 IonicContact OD1-NH2 4Å; D63-R252 IonicContact OD2-CZ 2.67Å; D63-R252 IonicContact OD2-NH1 2.86Å; D63-R252 PolarHBondContact OD2-NH1 3.41Å; D63-R252 IonicContact OD2-NH2 2.69Å; D63-R252 PolarHBondContact OD2-NH2 2.88Å; D63-R252 VanDerWaalsContact OD2-NH2 3.16Å; D63-G366 WeakPolarHBondContact OD2-CA 3.31Å
64	P	83.8	Confident	89.1	Confident	78 Å²	78	54 Å²	54	51%	0.506	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-58	-18.6	178.1	-24.8	34.8	0	0	0	114.2	N62 F66 I67	N62-P64 VanDerWaalsContact O-CD 3.28Å; N62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-F66 PolarHBondContact O-N 2.63Å; P64-F66 VanDerWaalsContact O-N 3.17Å; P64-I67 WeakPolarHBondContact O-CB 3.2Å; P64-I67 PolarHBondContact O-N 2.85Å
65	L	82.3	Confident	89.1	Confident	24 Å²	24	53.9 Å²	53.9	13%	0.126	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-56.2	-26.6	174.2	-76	-178.3	0	0	0	113.2	D63 I67 F70 R252	D63-L65 PolarHBondContact O-N 3.37Å; D63-L65 WeakPolarHBondContact OD1-CB 3.41Å; D63-L65 WeakPolarHBondContact OD1-CG 3.44Å; D63-L65 PolarHBondContact OD1-N 3.48Å; L65-I67 VanDerWaalsContact C-N 3.27Å; L65-I67 PolarHBondContact O-N 2.9Å; L65-F70 HydrophobicContact CB-CE1 4.37Å; L65-F70 HydrophobicContact CD2-CD1 4.38Å; L65-F70 WeakPolarHBondContact O-CE1 3.4Å; L65-R252 VanDerWaalsContact CD1-CZ 3.49Å
66	F	83.2	Confident	89.2	Confident	21 Å²	21	49.6 Å²	49.6	9%	0.092	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-70.9	-22.4	178	-68.4	-63.3	0	0	0	113.7	H37 Y40 W56 R60 D63 P64	H37-F66 HydrophobicContact CB-CD1 4.44Å; H37-F66 HydrophobicContact CB-CE1 3.95Å; H37-F66 AromaticContact CD2-CD1 3.31Å; H37-F66 WeakPolarHBondContact CD2-CD1 3.36Å; H37-F66 AromaticContact CD2-CD2 3.88Å; H37-F66 AromaticContact CD2-CE1 3.25Å; H37-F66 WeakPolarHBondContact CD2-CE1 3.43Å; H37-F66 AromaticContact CD2-CE2 3.81Å; H37-F66 AromaticContact CD2-CG 3.64Å; H37-F66 AromaticContact CD2-CZ 3.5Å; H37-F66 VanDerWaalsContact CD2-CZ 3.5Å; H37-F66 WeakPolarHBondContact CD2-CZ 3.42Å; H37-F66 AromaticContact CE1-CD1 3.73Å; H37-F66 AromaticContact CE1-CG 3.87Å; H37-F66 AromaticContact CG-CD1 3.64Å; H37-F66 AromaticContact CG-CE1 3.56Å; H37-F66 AromaticContact ND1-CD1 3.88Å; H37-F66 AromaticContact NE2-CD1 3.39Å; H37-F66 WeakPolarHBondContact NE2-CD1 3.39Å; H37-F66 AromaticContact NE2-CD2 3.7Å; H37-F66 AromaticContact NE2-CE1 3.85Å; H37-F66 AromaticContact NE2-CG 3.3Å; H37-F66 VanDerWaalsContact NE2-CG 3.3Å; H37-F66 WeakPolarHBondContact NE2-CG 3.49Å; Y40-F66 AromaticContact CD2-CD1 3.81Å; Y40-F66 HydrophobicContact CD2-CD1 3.81Å; Y40-F66 AromaticContact CD2-CE1 3.95Å; Y40-F66 HydrophobicContact CD2-CE1 3.95Å; Y40-F66 HydrophobicContact CE2-CD1 4.4Å; W56-F66 HydrophobicContact CH2-CE1 4.32Å; W56-F66 AromaticContact CH2-CZ 3.96Å; W56-F66 HydrophobicContact CH2-CZ 3.96Å; W56-F66 AromaticContact CZ3-CE1 3.99Å; W56-F66 HydrophobicContact CZ3-CE1 3.99Å; W56-F66 AromaticContact CZ3-CZ 3.56Å; W56-F66 HydrophobicContact CZ3-CZ 3.56Å; R60-F66 HydrophobicContact CB-CE2 4.07Å; R60-F66 VanDerWaalsContact O-CE2 3.24Å; R60-F66 WeakPolarHBondContact O-CE2 3.13Å; D63-F66 HydrophobicContact CB-CD2 4.04Å; D63-F66 HydrophobicContact CB-CE2 4.03Å; D63-F66 WeakPolarHBondContact O-CD2 3.27Å; D63-F66 PolarHBondContact O-N 2.87Å; D63-F66 VanDerWaalsContact O-N 3.1Å; P64-F66 PolarHBondContact O-N 2.63Å; P64-F66 VanDerWaalsContact O-N 3.17Å
67	I	81.4	Confident	89.2	Confident	151 Å²	151	48.5 Å²	48.5	77%	0.774	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-36.6	-173.7	-56.7	173.9	0	0	0	111.3	P64 L65	P64-I67 WeakPolarHBondContact O-CB 3.2Å; P64-I67 PolarHBondContact O-N 2.85Å; L65-I67 VanDerWaalsContact C-N 3.27Å; L65-I67 PolarHBondContact O-N 2.9Å
68	K	81.6	Confident	89.1	Confident	114 Å²	114	48.5 Å²	48.5	50%	0.496	26%	0.259	S	S	.	.	S	Bend	trans	-105.6	149.6	-172.8	-164.7	177.9	174.8	179.5	0	111.3	F70	K68-F70 WeakPolarHBondContact O-CD1 3.45Å
69	D	87.3	Confident	89	Confident	125 Å²	125	45.5 Å²	45.5	67%	0.668	24%	0.238	S	C	*	.			trans	-77.9	138.7	167.1	-67.2	-22.6	0	0	0	110.3	K36	K36-D69 IonicContact NZ-OD1 3.54Å; K36-D69 PolarHBondContact NZ-OD1 2.91Å
70	F	92.2	Very high	88.6	Confident	30 Å²	30	43.5 Å²	43.5	13%	0.132	22%	0.224	C	C	.	.			trans	-144.3	161.9	-178.5	60.9	-92.2	0	0	0	110.5	Y40 F44 L65 K68 I72 P120 P251	Y40-F70 HydrophobicContact CD1-CZ 4.24Å; Y40-F70 AromaticContact CD2-CE1 3.87Å; Y40-F70 HydrophobicContact CD2-CE1 3.87Å; Y40-F70 AromaticContact CD2-CZ 3.78Å; Y40-F70 HydrophobicContact CD2-CZ 3.78Å; Y40-F70 HydrophobicContact CE1-CE1 4.41Å; Y40-F70 HydrophobicContact CE1-CZ 4.13Å; Y40-F70 HydrophobicContact CE2-CD1 4.45Å; Y40-F70 AromaticContact CE2-CE1 3.34Å; Y40-F70 HydrophobicContact CE2-CE1 3.34Å; Y40-F70 AromaticContact CE2-CZ 3.64Å; Y40-F70 HydrophobicContact CE2-CZ 3.64Å; Y40-F70 HydrophobicContact CG-CZ 4.06Å; Y40-F70 AromaticContact CZ-CE1 3.62Å; Y40-F70 AromaticContact CZ-CZ 3.78Å; F44-F70 AromaticContact CE2-CE2 3.9Å; F44-F70 HydrophobicContact CE2-CE2 3.9Å; F44-F70 AromaticContact CE2-CZ 3.8Å; F44-F70 HydrophobicContact CE2-CZ 3.8Å; F44-F70 AromaticContact CZ-CE2 3.78Å; F44-F70 HydrophobicContact CZ-CE2 3.78Å; F44-F70 HydrophobicContact CZ-CZ 4.1Å; L65-F70 HydrophobicContact CB-CE1 4.37Å; L65-F70 HydrophobicContact CD2-CD1 4.38Å; L65-F70 WeakPolarHBondContact O-CE1 3.4Å; K68-F70 WeakPolarHBondContact O-CD1 3.45Å; F70-I72 HydrophobicContact CD2-CG1 3.94Å; F70-I72 HydrophobicContact CE2-CD1 3.97Å; F70-I72 HydrophobicContact CE2-CG1 3.67Å; F70-P120 HydrophobicContact CD2-CG 4.38Å; F70-P120 HydrophobicContact CE2-CG 3.93Å; F70-P120 HydrophobicContact CZ-CG 4.28Å; F70-P120 VanDerWaalsContact O-CD 3.24Å; F70-P120 WeakPolarHBondContact O-CD 3.36Å; F70-P251 HydrophobicContact CB-CG 4.45Å; F70-P251 HydrophobicContact CD2-CG 3.55Å; F70-P251 HydrophobicContact CE2-CG 4.1Å; F70-P251 HydrophobicContact CG-CG 4.19Å
71	E	95	Very high	88.1	Confident	67 Å²	67	43.5 Å²	43.5	31%	0.313	23%	0.226	S	C	.	.			trans	-109.6	151.4	169.6	-56.8	177.3	129.6	0	0	109.1	R117 K119 R254	E71-R117 HydrophobicContact CB-CG 3.38Å; E71-R117 HydrophobicContact CG-CG 4.21Å; E71-R117 WeakPolarHBondContact OE2-CD 3.31Å; E71-R117 WeakPolarHBondContact OE2-CG 3.44Å; E71-K119 HydrophobicContact CG-CG 4.11Å; E71-R254 PolarHBondContact O-NH2 3.23Å
72	I	95.8	Very high	87.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.9	-178.2	-61	167.7	0	0	0	108.2	V43 F44 F70 F74 R117 V118 P120	V43-I72 HydrophobicContact CB-CD1 4.25Å; V43-I72 HydrophobicContact CG1-CD1 3.39Å; F44-I72 HydrophobicContact CZ-CD1 4.34Å; F44-I72 HydrophobicContact CZ-CG1 4.42Å; F70-I72 HydrophobicContact CD2-CG1 3.94Å; F70-I72 HydrophobicContact CE2-CD1 3.97Å; F70-I72 HydrophobicContact CE2-CG1 3.67Å; I72-F74 HydrophobicContact CB-CD2 4.34Å; I72-F74 HydrophobicContact CB-CE2 3.81Å; I72-F74 HydrophobicContact CG2-CD2 4.04Å; I72-F74 HydrophobicContact CG2-CE2 3.62Å; I72-F74 HydrophobicContact CG2-CZ 4.1Å; I72-F74 WeakPolarHBondContact O-CD2 3.48Å; I72-R117 WeakPolarHBondContact O-CA 3.38Å; I72-V118 PolarHBondContact N-O 3.37Å; I72-V118 PolarHBondContact O-N 3.4Å; I72-P120 HydrophobicContact CD1-CB 4.27Å; I72-P120 HydrophobicContact CD1-CG 3.94Å; I72-P120 HydrophobicContact CG1-CG 4.39Å
73	D	96.7	Very high	87.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.8	175.1	-67.2	-96.9	0	0	0	109.2	H115 L116 R117 S248 H249 R254	D73-H115 IonicContact OD1-CD2 3.47Å; D73-H115 IonicContact OD1-CE1 3.28Å; D73-H115 IonicContact OD1-NE2 3.08Å; D73-H115 PolarHBondContact OD1-NE2 2.87Å; D73-L116 CarbonylContact C-O 3.51Å; D73-L116 WeakPolarHBondContact CA-O 3.22Å; D73-R117 IonicContact OD1-CZ 3.25Å; D73-R117 IonicContact OD1-NE 3.53Å; D73-R117 PolarHBondContact OD1-NE 2.86Å; D73-R117 IonicContact OD1-NH2 3.59Å; D73-R117 PolarHBondContact OD1-NH2 3Å; D73-R117 VanDerWaalsContact OD1-NH2 3.11Å; D73-R117 IonicContact OD2-NE 2.86Å; D73-S248 VanDerWaalsContact O-CA 3.26Å; D73-S248 WeakPolarHBondContact O-CA 3.31Å; D73-H249 VanDerWaalsContact CB-CE1 3.47Å; D73-H249 WeakPolarHBondContact CB-CE1 3.43Å; D73-H249 WeakPolarHBondContact CB-NE2 3.21Å; D73-H249 PolarHBondContact O-N 3.27Å; D73-R254 IonicContact OD1-NE 2.71Å; D73-R254 IonicContact OD2-CZ 3.58Å; D73-R254 VanDerWaalsContact OD2-CZ 3.26Å; D73-R254 IonicContact OD2-NE 3.44Å; D73-R254 PolarHBondContact OD2-NE 3.21Å; D73-R254 IonicContact OD2-NH2 2.61Å; D73-R254 PolarHBondContact OD2-NH2 2.93Å
74	F	97.8	Very high	87.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.1	178.1	-75.9	-94.4	0	0	0	110.5	V43 I72 H115 L116 V118 A123 L126 L246 Y247 H388	V43-F74 HydrophobicContact CG1-CZ 4.19Å; I72-F74 HydrophobicContact CB-CD2 4.34Å; I72-F74 HydrophobicContact CB-CE2 3.81Å; I72-F74 HydrophobicContact CG2-CD2 4.04Å; I72-F74 HydrophobicContact CG2-CE2 3.62Å; I72-F74 HydrophobicContact CG2-CZ 4.1Å; I72-F74 WeakPolarHBondContact O-CD2 3.48Å; F74-H115 WeakPolarHBondContact O-CA 3.29Å; F74-L116 HydrophobicContact CB-CB 4.39Å; F74-L116 PolarHBondContact N-O 2.8Å; F74-L116 PolarHBondContact O-N 2.79Å; F74-V118 HydrophobicContact CD2-CB 3.95Å; F74-V118 HydrophobicContact CD2-CG2 4.04Å; F74-V118 HydrophobicContact CE2-CB 4.02Å; F74-A123 HydrophobicContact CE2-CB 4.29Å; F74-A123 HydrophobicContact CZ-CB 3.75Å; F74-L126 HydrophobicContact CB-CD2 4.03Å; F74-L126 HydrophobicContact CD1-CD2 3.61Å; F74-L126 HydrophobicContact CD2-CD2 3.74Å; F74-L126 HydrophobicContact CE1-CD2 3.92Å; F74-L126 HydrophobicContact CE2-CD2 4.05Å; F74-L126 HydrophobicContact CG-CD2 3.52Å; F74-L126 HydrophobicContact CZ-CD2 4.14Å; F74-L246 HydrophobicContact CB-CD1 4.31Å; F74-L246 HydrophobicContact CD1-CD1 4.06Å; F74-L246 HydrophobicContact CD1-CD2 4.46Å; F74-L246 HydrophobicContact CD1-CG 4.2Å; F74-Y247 CarbonylContact C-O 3.5Å; F74-Y247 VanDerWaalsContact CA-O 3.23Å; F74-Y247 WeakPolarHBondContact CA-O 3.5Å; F74-H388 AromaticContact CE1-CD2 3.96Å; F74-H388 AromaticContact CE1-CE1 3.61Å; F74-H388 AromaticContact CE1-NE2 3.52Å
75	H	95.5	Very high	87.4	Confident	22 Å²	22	39.8 Å²	39.8	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.2	-178.6	-62.9	-90.8	0	0	0	110.1	L77 L114 H115 Y247 H249 W385	H75-L77 HydrophobicContact CB-CD2 4.23Å; H75-L77 HydrophobicContact CB-CG 4.22Å; H75-L114 WeakPolarHBondContact CA-O 3.3Å; H75-H115 AromaticContact CE1-CD2 3.47Å; H75-H115 PolarHBondContact CE1-CD2 2.82Å; H75-H115 VanDerWaalsContact CE1-CD2 3.47Å; H75-H115 AromaticContact CE1-CE1 3.93Å; H75-H115 AromaticContact CE1-CG 3.6Å; H75-H115 AromaticContact CE1-ND1 3.9Å; H75-H115 AromaticContact CE1-NE2 3.72Å; H75-H115 AromaticContact ND1-CD2 3.95Å; H75-H115 AromaticContact ND1-CG 3.91Å; H75-H115 AromaticContact NE2-CD2 3.85Å; H75-H115 AromaticContact NE2-NE2 3.92Å; H75-Y247 PolarHBondContact N-O 3.48Å; H75-Y247 PolarHBondContact O-N 2.99Å; H75-H249 AromaticContact CD2-CD2 3.53Å; H75-H249 AromaticContact CD2-NE2 3.81Å; H75-H249 AromaticContact CE1-NE2 3.99Å; H75-H249 AromaticContact NE2-CD2 3.14Å; H75-H249 PolarHBondContact NE2-CD2 2.81Å; H75-H249 AromaticContact NE2-NE2 2.96Å; H75-H249 PolarHBondContact NE2-NE2 3.46Å; H75-W385 HydrophobicContact CB-CH2 4.41Å; H75-W385 HydrophobicContact CB-CZ3 3.85Å; H75-W385 AromaticContact CD2-CH2 3.63Å; H75-W385 AromaticContact CD2-CZ3 3.67Å; H75-W385 AromaticContact CE1-CH2 3.84Å; H75-W385 AromaticContact CG-CH2 3.71Å; H75-W385 AromaticContact CG-CZ3 3.61Å; H75-W385 AromaticContact ND1-CH2 3.85Å; H75-W385 AromaticContact NE2-CH2 3.71Å
76	V	95.2	Very high	87.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.9	170.3	176.2	0	0	0	0	106.9	L113 L114 F130 F134 F178 L246	V76-L113 HydrophobicContact CB-CB 4.33Å; V76-L113 HydrophobicContact CG1-CB 3.85Å; V76-L113 HydrophobicContact CG1-CD1 4.02Å; V76-L113 HydrophobicContact CG1-CG 4.45Å; V76-L113 WeakPolarHBondContact O-CA 3.3Å; V76-L113 WeakPolarHBondContact O-CB 3.48Å; V76-L113 PolarHBondContact O-N 3.23Å; V76-L114 HydrophobicContact CB-CB 3.93Å; V76-L114 HydrophobicContact CG2-CB 4.01Å; V76-L114 HydrophobicContact CG2-CD1 4.37Å; V76-L114 PolarHBondContact N-O 3.01Å; V76-L114 PolarHBondContact O-N 2.5Å; V76-F130 HydrophobicContact CG1-CE2 4.11Å; V76-F130 HydrophobicContact CG2-CD2 4.41Å; V76-F130 HydrophobicContact CG2-CE2 4.32Å; V76-F134 HydrophobicContact CG1-CE1 4.35Å; V76-F134 HydrophobicContact CG1-CE2 4.34Å; V76-F134 HydrophobicContact CG1-CZ 3.79Å; V76-F178 HydrophobicContact CG2-CE1 4.1Å; V76-L246 HydrophobicContact CG2-CD1 4.13Å
77	L	92.9	Very high	87.7	Confident	10 Å²	10	43.3 Å²	43.3	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.3	-177.4	-54.2	-177.9	0	0	0	110.9	H75 R108 Q110 I111 P112 F244 C245 Y247 W385	H75-L77 HydrophobicContact CB-CD2 4.23Å; H75-L77 HydrophobicContact CB-CG 4.22Å; L77-R108 HydrophobicContact CD1-CB 4.09Å; L77-R108 HydrophobicContact CD1-CG 4.26Å; L77-Q110 HydrophobicContact CB-CB 4.04Å; L77-Q110 HydrophobicContact CD1-CB 4.18Å; L77-I111 CarbonylContact C-O 3.6Å; L77-I111 WeakPolarHBondContact CA-O 3.45Å; L77-P112 HydrophobicContact CD2-CB 4.08Å; L77-F244 CarbonylContact O-C 3.54Å; L77-F244 WeakPolarHBondContact O-CA 3.43Å; L77-C245 PolarHBondContact N-O 3Å; L77-C245 PolarHBondContact O-N 3.07Å; L77-Y247 HydrophobicContact CD1-CD2 3.71Å; L77-Y247 HydrophobicContact CD1-CE2 3.92Å; L77-Y247 HydrophobicContact CG-CD2 4.16Å; L77-W385 HydrophobicContact CD1-CZ3 4.18Å
78	L	90.3	Very high	88	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.6	167.2	175.8	68.8	0	0	0	109.4	I111 L113 F162 L171 L242 F244 L393	L78-I111 HydrophobicContact CB-CB 4.2Å; L78-I111 HydrophobicContact CD2-CD1 4.17Å; L78-I111 PolarHBondContact N-O 3.14Å; L78-I111 PolarHBondContact O-N 2.67Å; L78-L113 HydrophobicContact CB-CD1 4.23Å; L78-L113 HydrophobicContact CB-CG 4.49Å; L78-F162 HydrophobicContact CD2-CE2 4.14Å; L78-F162 HydrophobicContact CD2-CZ 4.03Å; L78-L171 HydrophobicContact CD2-CD1 4.13Å; L78-L171 HydrophobicContact CD2-CD2 4.06Å; L78-L242 HydrophobicContact CD1-CB 4.39Å; L78-F244 HydrophobicContact CB-CD1 4.46Å; L78-F244 HydrophobicContact CD1-CD1 4.04Å; L78-F244 HydrophobicContact CD1-CE1 3.95Å; L78-F244 HydrophobicContact CD1-CZ 4.41Å; L78-L393 HydrophobicContact CD1-CD2 4.41Å
79	S	89.1	Confident	88.2	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.7	171.7	167.1	0	0	0	0	109.9	G81 E85 L242 K243	S79-G81 PolarHBondContact OG-N 3.02Å; S79-E85 WeakPolarHBondContact CB-OE1 3.43Å; S79-E85 PolarHBondContact OG-OE1 2.94Å; S79-L242 WeakPolarHBondContact O-CA 3.31Å; S79-K243 PolarHBondContact N-O 2.8Å; S79-K243 PolarHBondContact O-N 2.67Å
80	L	81.9	Confident	88.3	Confident	8 Å²	8	30.6 Å²	30.6	4%	0.042	19%	0.185	C	C	.	.			trans	-88.4	-18.6	178.5	-73.8	147.2	0	0	0	112.9	F84 I111 F150 F162 F202 I231 Q241 L242	L80-F84 HydrophobicContact CB-CD1 3.64Å; L80-F84 HydrophobicContact CB-CE1 4.17Å; L80-F84 HydrophobicContact CB-CG 4.25Å; L80-F84 HydrophobicContact CD1-CD1 3.7Å; L80-F84 HydrophobicContact CD1-CE1 3.33Å; L80-F84 HydrophobicContact CD1-CG 4.47Å; L80-F84 HydrophobicContact CD1-CZ 3.86Å; L80-F84 HydrophobicContact CG-CD1 4.3Å; L80-F84 HydrophobicContact CG-CE1 4.38Å; L80-I111 HydrophobicContact CD1-CD1 4.34Å; L80-F150 HydrophobicContact CD1-CD1 3.65Å; L80-F150 HydrophobicContact CD1-CD2 4.28Å; L80-F150 HydrophobicContact CD1-CE1 3.27Å; L80-F150 HydrophobicContact CD1-CE2 4.01Å; L80-F150 HydrophobicContact CD1-CG 4.14Å; L80-F150 HydrophobicContact CD1-CZ 3.52Å; L80-F150 HydrophobicContact CD2-CB 4.45Å; L80-F150 HydrophobicContact CD2-CD1 4.3Å; L80-F150 HydrophobicContact CD2-CD2 4.01Å; L80-F150 HydrophobicContact CD2-CE2 4.34Å; L80-F150 HydrophobicContact CD2-CG 4.01Å; L80-F162 HydrophobicContact CD2-CE1 3.83Å; L80-F162 HydrophobicContact CD2-CZ 3.85Å; L80-F202 HydrophobicContact CD1-CE1 4.12Å; L80-I231 HydrophobicContact CD2-CD1 4.12Å; L80-Q241 CarbonylContact C-O 3.4Å; L80-Q241 CarbonylContact O-C 3.54Å; L80-Q241 VanDerWaalsContact O-C 3.31Å; L80-Q241 WeakPolarHBondContact O-CB 3.46Å; L80-Q241 VanDerWaalsContact O-O 3.13Å; L80-L242 HydrophobicContact CB-CD2 4.4Å; L80-L242 HydrophobicContact CD2-CD2 3.78Å; L80-L242 HydrophobicContact CG-CD2 4.32Å
81	G	78.9	Confident	88.2	Confident	9 Å²	9	29.2 Å²	29.2	9%	0.093	18%	0.179	C	C	.	.			trans	56.9	-167.1	-179.9	0	0	0	0	0	114.7	S79 Q241	S79-G81 PolarHBondContact OG-N 3.02Å; G81-Q241 WeakPolarHBondContact CA-O 3.44Å; G81-Q241 PolarHBondContact N-O 2.72Å
82	G	74.8	Confident	87.8	Confident	44 Å²	44	26.5 Å²	26.5	45%	0.454	17%	0.167	S	C	.	.	H	α-helix	trans	62.7	-154.2	178.1	0	0	0	0	0	114.1	F84	G82-F84 PolarHBondContact O-N 2.89Å
83	N	78.6	Confident	87.3	Confident	131 Å²	131	28.9 Å²	28.9	70%	0.701	18%	0.183	S	C	*	.	H	α-helix	trans	-66.7	-23.5	178.8	-65.9	-6.7	0	0	0	112.4	E85 S86 D87	N83-E85 PolarHBondContact O-N 2.85Å; N83-S86 WeakPolarHBondContact O-CB 3.37Å; N83-S86 PolarHBondContact O-N 2.64Å; N83-S86 VanDerWaalsContact O-N 3.1Å; N83-D87 VanDerWaalsContact O-CG 3.22Å; N83-D87 PolarHBondContact O-N 3.17Å
84	F	83.4	Confident	86.7	Confident	9 Å²	9	29.8 Å²	29.8	4%	0.039	19%	0.191	C	C	.	.	H	α-helix	trans	-55.7	-48.8	-178.5	177.6	-93.9	0	0	0	112.8	L80 G82 S86 D87 V88 F150 C160 F202 Y229	L80-F84 HydrophobicContact CB-CD1 3.64Å; L80-F84 HydrophobicContact CB-CE1 4.17Å; L80-F84 HydrophobicContact CB-CG 4.25Å; L80-F84 HydrophobicContact CD1-CD1 3.7Å; L80-F84 HydrophobicContact CD1-CE1 3.33Å; L80-F84 HydrophobicContact CD1-CG 4.47Å; L80-F84 HydrophobicContact CD1-CZ 3.86Å; L80-F84 HydrophobicContact CG-CD1 4.3Å; L80-F84 HydrophobicContact CG-CE1 4.38Å; G82-F84 PolarHBondContact O-N 2.89Å; F84-S86 VanDerWaalsContact C-N 3.26Å; F84-S86 PolarHBondContact O-N 3.47Å; F84-D87 PolarHBondContact O-N 3.14Å; F84-V88 HydrophobicContact CD1-CG2 4.27Å; F84-V88 HydrophobicContact CD2-CG2 4.14Å; F84-V88 HydrophobicContact CE1-CG2 3.76Å; F84-V88 HydrophobicContact CE2-CG2 3.62Å; F84-V88 HydrophobicContact CG-CG2 4.44Å; F84-V88 HydrophobicContact CZ-CG2 3.4Å; F84-V88 WeakPolarHBondContact O-CB 3.43Å; F84-V88 WeakPolarHBondContact O-CG2 3.34Å; F84-V88 PolarHBondContact O-N 3.48Å; F84-F150 HydrophobicContact CD2-CD1 4.12Å; F84-F150 HydrophobicContact CE1-CD1 4.42Å; F84-F150 HydrophobicContact CE1-CE1 4.08Å; F84-F150 AromaticContact CE2-CD1 3.5Å; F84-F150 HydrophobicContact CE2-CD1 3.5Å; F84-F150 VanDerWaalsContact CE2-CD1 3.5Å; F84-F150 AromaticContact CE2-CE1 3.68Å; F84-F150 HydrophobicContact CE2-CE1 3.68Å; F84-F150 AromaticContact CZ-CD1 3.68Å; F84-F150 HydrophobicContact CZ-CD1 3.68Å; F84-F150 AromaticContact CZ-CE1 3.35Å; F84-F150 HydrophobicContact CZ-CE1 3.35Å; F84-C160 HydrophobicContact CZ-CB 4.41Å; F84-F202 HydrophobicContact CE1-CE1 4.25Å; F84-F202 AromaticContact CE1-CZ 3.85Å; F84-F202 HydrophobicContact CE1-CZ 3.85Å; F84-F202 HydrophobicContact CZ-CE1 4.11Å; F84-F202 AromaticContact CZ-CZ 3.74Å; F84-F202 HydrophobicContact CZ-CZ 3.74Å; F84-Y229 HydrophobicContact CB-CD1 3.75Å; F84-Y229 HydrophobicContact CB-CE1 3.89Å; F84-Y229 HydrophobicContact CB-CG 4.41Å; F84-Y229 AromaticContact CD2-CD1 3.63Å; F84-Y229 HydrophobicContact CD2-CD1 3.63Å; F84-Y229 AromaticContact CD2-CD2 3.59Å; F84-Y229 HydrophobicContact CD2-CD2 3.59Å; F84-Y229 AromaticContact CD2-CE1 3.69Å; F84-Y229 HydrophobicContact CD2-CE1 3.69Å; F84-Y229 AromaticContact CD2-CE2 3.63Å; F84-Y229 HydrophobicContact CD2-CE2 3.63Å; F84-Y229 AromaticContact CD2-CG 3.58Å; F84-Y229 HydrophobicContact CD2-CG 3.58Å; F84-Y229 AromaticContact CD2-CZ 3.69Å; F84-Y229 AromaticContact CE2-CD2 3.99Å; F84-Y229 HydrophobicContact CE2-CD2 3.99Å; F84-Y229 AromaticContact CE2-CE2 3.96Å; F84-Y229 HydrophobicContact CE2-CE2 3.96Å; F84-Y229 HydrophobicContact CE2-CG 4.38Å; F84-Y229 HydrophobicContact CG-CD1 4.19Å; F84-Y229 HydrophobicContact CG-CE1 4.29Å; F84-Y229 HydrophobicContact CG-CG 4.43Å
85	E	81.5	Confident	86.1	Confident	64 Å²	64	30 Å²	30	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-64.4	-33.7	180	-69.6	-167.8	149.9	0	0	112.1	S79 N83 S89 Q110	S79-E85 WeakPolarHBondContact CB-OE1 3.43Å; S79-E85 PolarHBondContact OG-OE1 2.94Å; N83-E85 PolarHBondContact O-N 2.85Å; E85-S89 WeakPolarHBondContact O-CB 3.42Å; E85-S89 PolarHBondContact O-N 3.41Å; E85-Q110 PolarHBondContact OE1-NE2 3.17Å
86	S	84.7	Confident	85.3	Confident	73 Å²	73	31.5 Å²	31.5	51%	0.51	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-50.1	175.5	-174.5	0	0	0	0	111.2	N83 F84 V88 S89 S90	N83-S86 WeakPolarHBondContact O-CB 3.37Å; N83-S86 PolarHBondContact O-N 2.64Å; N83-S86 VanDerWaalsContact O-N 3.1Å; F84-S86 VanDerWaalsContact C-N 3.26Å; F84-S86 PolarHBondContact O-N 3.47Å; S86-V88 PolarHBondContact O-N 2.76Å; S86-S89 WeakPolarHBondContact O-CB 3.17Å; S86-S89 PolarHBondContact O-N 2.93Å; S86-S90 PolarHBondContact O-N 2.7Å; S86-S90 PolarHBondContact O-OG 3.13Å
87	D	88.1	Confident	84.3	Confident	46 Å²	46	37.7 Å²	37.7	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-47.1	-179.9	-68.5	-7.9	0	0	0	111.2	N83 F84 S90 F91 Y224 L225 Y229	N83-D87 VanDerWaalsContact O-CG 3.22Å; N83-D87 PolarHBondContact O-N 3.17Å; F84-D87 PolarHBondContact O-N 3.14Å; D87-S90 PolarHBondContact O-N 3.46Å; D87-F91 WeakPolarHBondContact O-CB 3.5Å; D87-F91 PolarHBondContact O-N 3.08Å; D87-Y224 WeakPolarHBondContact CB-O 3.43Å; D87-L225 HydrophobicContact CB-CD2 4.47Å; D87-Y229 VanDerWaalsContact CB-OH 3.3Å; D87-Y229 WeakPolarHBondContact CB-OH 3.29Å; D87-Y229 VanDerWaalsContact OD2-CE1 3.3Å; D87-Y229 WeakPolarHBondContact OD2-CE1 3.28Å; D87-Y229 PolarHBondContact OD2-OH 2.94Å
88	V	86.8	Confident	83.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-37.7	178.2	175.9	0	0	0	0	111.9	F84 S86 F91 L92 A109 L204 L225	F84-V88 HydrophobicContact CD1-CG2 4.27Å; F84-V88 HydrophobicContact CD2-CG2 4.14Å; F84-V88 HydrophobicContact CE1-CG2 3.76Å; F84-V88 HydrophobicContact CE2-CG2 3.62Å; F84-V88 HydrophobicContact CG-CG2 4.44Å; F84-V88 HydrophobicContact CZ-CG2 3.4Å; F84-V88 WeakPolarHBondContact O-CB 3.43Å; F84-V88 WeakPolarHBondContact O-CG2 3.34Å; F84-V88 PolarHBondContact O-N 3.48Å; S86-V88 PolarHBondContact O-N 2.76Å; V88-F91 PolarHBondContact O-N 2.87Å; V88-L92 HydrophobicContact CG1-CD1 3.88Å; V88-L92 HydrophobicContact CG1-CG 4.14Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.34Å; V88-L92 PolarHBondContact O-N 3.12Å; V88-A109 HydrophobicContact CB-CB 4.24Å; V88-A109 HydrophobicContact CG1-CB 3.39Å; V88-L204 HydrophobicContact CG1-CD1 3.94Å; V88-L204 HydrophobicContact CG1-CD2 3.49Å; V88-L204 VanDerWaalsContact CG1-CD2 3.49Å; V88-L204 HydrophobicContact CG1-CG 4.41Å; V88-L204 HydrophobicContact CG2-CD1 4.37Å; V88-L225 HydrophobicContact CG2-CD2 4Å
89	S	86.1	Confident	82.7	Confident	72 Å²	72	40.3 Å²	40.3	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-45.1	174.8	-173.8	0	0	0	0	111.3	E85 S86 L92 S93	E85-S89 WeakPolarHBondContact O-CB 3.42Å; E85-S89 PolarHBondContact O-N 3.41Å; S86-S89 WeakPolarHBondContact O-CB 3.17Å; S86-S89 PolarHBondContact O-N 2.93Å; S89-L92 PolarHBondContact O-N 2.94Å; S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 3.41Å
90	S	89.4	Confident	81.8	Confident	52 Å²	52	41.5 Å²	41.5	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.2	-66.8	0	0	0	0	112.1	S86 D87 S93 A94	S86-S90 PolarHBondContact O-N 2.7Å; S86-S90 PolarHBondContact O-OG 3.13Å; D87-S90 PolarHBondContact O-N 3.46Å; S90-S93 PolarHBondContact O-N 3.08Å; S90-A94 PolarHBondContact O-N 3.38Å
91	F	90.2	Very high	81.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-52.1	174.6	171.7	-96.2	0	0	0	111.4	D87 V88 S93 A94 A95 V158 L204 V205 L217 L220 N221 Y224 L225	D87-F91 WeakPolarHBondContact O-CB 3.5Å; D87-F91 PolarHBondContact O-N 3.08Å; V88-F91 PolarHBondContact O-N 2.87Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 PolarHBondContact O-N 3.17Å; F91-A94 PolarHBondContact O-N 3Å; F91-A95 HydrophobicContact CE1-CB 4.21Å; F91-A95 HydrophobicContact CZ-CB 4.29Å; F91-A95 VanDerWaalsContact O-CB 3.26Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 3.47Å; F91-V158 HydrophobicContact CE1-CG1 4.31Å; F91-V158 HydrophobicContact CZ-CB 4.41Å; F91-V158 HydrophobicContact CZ-CG1 4.21Å; F91-V158 HydrophobicContact CZ-CG2 4.06Å; F91-L204 HydrophobicContact CD1-CD1 3.93Å; F91-L204 HydrophobicContact CE1-CB 3.98Å; F91-L204 HydrophobicContact CE1-CD1 4.02Å; F91-V205 HydrophobicContact CE1-CG2 4.24Å; F91-V205 HydrophobicContact CZ-CG2 4.3Å; F91-L217 HydrophobicContact CE2-CD1 4.45Å; F91-L217 HydrophobicContact CZ-CD1 4.04Å; F91-L220 HydrophobicContact CD2-CB 4.16Å; F91-L220 HydrophobicContact CE2-CB 3.84Å; F91-N221 WeakPolarHBondContact CE2-OD1 3.26Å; F91-Y224 HydrophobicContact CB-CG 4.34Å; F91-L225 HydrophobicContact CB-CD1 4.32Å; F91-L225 HydrophobicContact CB-CD2 3.97Å; F91-L225 HydrophobicContact CB-CG 4.05Å; F91-L225 HydrophobicContact CD1-CD1 3.99Å; F91-L225 HydrophobicContact CD2-CD1 3.64Å; F91-L225 HydrophobicContact CD2-CG 3.84Å; F91-L225 HydrophobicContact CE1-CD1 4.23Å; F91-L225 HydrophobicContact CE2-CD1 3.9Å; F91-L225 HydrophobicContact CG-CD1 3.69Å; F91-L225 HydrophobicContact CG-CD2 4.25Å; F91-L225 HydrophobicContact CG-CG 3.91Å; F91-L225 HydrophobicContact CZ-CD1 4.18Å
92	L	87.2	Confident	81	Confident	11 Å²	11	46.2 Å²	46.2	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-38.2	-179	-75.3	173.8	0	0	0	111.8	V88 S89 A95 R96 A109 L204	V88-L92 HydrophobicContact CG1-CD1 3.88Å; V88-L92 HydrophobicContact CG1-CG 4.14Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.34Å; V88-L92 PolarHBondContact O-N 3.12Å; S89-L92 PolarHBondContact O-N 2.94Å; L92-A95 PolarHBondContact O-N 3.35Å; L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 WeakPolarHBondContact O-CG 3.25Å; L92-R96 PolarHBondContact O-N 3.37Å; L92-A109 HydrophobicContact CD1-CB 4.18Å; L92-L204 HydrophobicContact CD1-CD2 4.13Å; L92-L204 HydrophobicContact CD2-CB 4.18Å; L92-L204 HydrophobicContact CD2-CD2 4.05Å; L92-L204 HydrophobicContact CG-CD2 4.22Å
93	S	84.2	Confident	80.9	Confident	49 Å²	49	50.9 Å²	50.9	34%	0.343	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-46.3	175	-171.7	0	0	0	0	111.3	S89 S90 F91	S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 3.41Å; S90-S93 PolarHBondContact O-N 3.08Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 PolarHBondContact O-N 3.17Å
94	A	85	Confident	80.8	Confident	19 Å²	19	45.4 Å²	45.4	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-41.5	178.6	0	0	0	0	0	112.1	S90 F91 R96 V97 A98 L220 Y224	S90-A94 PolarHBondContact O-N 3.38Å; F91-A94 PolarHBondContact O-N 3Å; A94-R96 PolarHBondContact O-N 3.19Å; A94-V97 PolarHBondContact O-N 2.89Å; A94-A98 WeakPolarHBondContact O-CB 3.09Å; A94-A98 PolarHBondContact O-N 3.47Å; A94-L220 HydrophobicContact CB-CD2 3.65Å; A94-Y224 HydrophobicContact CB-CD2 4.26Å; A94-Y224 HydrophobicContact CB-CE2 3.51Å
95	A	83.6	Confident	80.6	Confident	5 Å²	5	45.3 Å²	45.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-41.2	178.6	0	0	0	0	0	112.1	F91 L92 V97 A98 L99 L220	F91-A95 HydrophobicContact CE1-CB 4.21Å; F91-A95 HydrophobicContact CZ-CB 4.29Å; F91-A95 VanDerWaalsContact O-CB 3.26Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 3.47Å; L92-A95 PolarHBondContact O-N 3.35Å; A95-V97 VanDerWaalsContact C-N 3.28Å; A95-V97 PolarHBondContact O-N 3.24Å; A95-A98 PolarHBondContact O-N 3.08Å; A95-L99 HydrophobicContact CB-CD1 4.21Å; A95-L99 WeakPolarHBondContact O-CA 3.23Å; A95-L99 VanDerWaalsContact O-CB 3.24Å; A95-L99 WeakPolarHBondContact O-CB 3.29Å; A95-L99 PolarHBondContact O-N 2.9Å; A95-L220 HydrophobicContact CB-CD1 4.21Å
96	R	80	Confident	80.8	Confident	54 Å²	54	42.8 Å²	42.8	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-38.9	176.5	-74.9	172.9	-144.3	151.3	3.2	112.6	L92 A94 G100 W101 C105 P380	L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 WeakPolarHBondContact O-CG 3.25Å; L92-R96 PolarHBondContact O-N 3.37Å; A94-R96 PolarHBondContact O-N 3.19Å; R96-G100 CarbonylContact O-C 3.56Å; R96-G100 VanDerWaalsContact O-CA 3.3Å; R96-G100 WeakPolarHBondContact O-CA 3.15Å; R96-G100 PolarHBondContact O-N 3.25Å; R96-W101 HydrophobicContact CG-CE3 4.29Å; R96-W101 HydrophobicContact CG-CZ3 4.47Å; R96-C105 HydrophobicContact CG-CB 4.21Å; R96-P380 VanDerWaalsContact CZ-CG 3.43Å; R96-P380 VanDerWaalsContact NH2-CG 3.28Å
97	V	74.4	Confident	80.8	Confident	130 Å²	130	44.2 Å²	44.2	79%	0.788	25%	0.249	S	C	*	.	H	α-helix	trans	-71.9	-44.1	178.9	176	0	0	0	0	110.8	A94 A95	A94-V97 PolarHBondContact O-N 2.89Å; A95-V97 VanDerWaalsContact C-N 3.28Å; A95-V97 PolarHBondContact O-N 3.24Å
98	A	74.1	Confident	80.7	Confident	45 Å²	45	46 Å²	46	37%	0.372	25%	0.253	S	S	.	.	H	α-helix	trans	-82.9	-35.6	-172.8	0	0	0	0	0	113.9	A94 A95 V216 L220	A94-A98 WeakPolarHBondContact O-CB 3.09Å; A94-A98 PolarHBondContact O-N 3.47Å; A95-A98 PolarHBondContact O-N 3.08Å; A98-V216 HydrophobicContact CB-CG1 3.78Å; A98-L220 HydrophobicContact CB-CD1 4.07Å
99	L	74.2	Confident	80.5	Confident	20 Å²	20	47 Å²	47	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-107.2	-17.1	-171.8	-52.4	178.4	0	0	0	113.1	A95 V205 K213 V216 L217	A95-L99 HydrophobicContact CB-CD1 4.21Å; A95-L99 WeakPolarHBondContact O-CA 3.23Å; A95-L99 VanDerWaalsContact O-CB 3.24Å; A95-L99 WeakPolarHBondContact O-CB 3.29Å; A95-L99 PolarHBondContact O-N 2.9Å; L99-V205 HydrophobicContact CD1-CG2 4.43Å; L99-K213 HydrophobicContact CD2-CB 4.15Å; L99-K213 HydrophobicContact CD2-CD 4.23Å; L99-K213 HydrophobicContact CD2-CG 4.34Å; L99-K213 PolarHBondContact O-NZ 3.47Å; L99-V216 HydrophobicContact CD2-CB 4.45Å; L99-V216 HydrophobicContact CD2-CG1 4.17Å; L99-L217 HydrophobicContact CD1-CD1 3.61Å
100	G	71.4	Confident	80.6	Confident	30 Å²	30	44 Å²	44	31%	0.309	24%	0.239	S	C	.	.			trans	94	179.6	-171.7	0	0	0	0	0	112.8	R96	R96-G100 CarbonylContact O-C 3.56Å; R96-G100 VanDerWaalsContact O-CA 3.3Å; R96-G100 WeakPolarHBondContact O-CA 3.15Å; R96-G100 PolarHBondContact O-N 3.25Å
101	W	72.5	Confident	80.5	Confident	69 Å²	69	41.6 Å²	41.6	26%	0.261	22%	0.222	S	C	.	.			trans	-90.1	134.5	-179.5	-152.9	-73.4	0	0	0	111.5	R96 C105 D106 R378 V379 P380	R96-W101 HydrophobicContact CG-CE3 4.29Å; R96-W101 HydrophobicContact CG-CZ3 4.47Å; W101-C105 HydrophobicContact CD2-CB 4.3Å; W101-C105 HydrophobicContact CG-CB 4.34Å; W101-C105 HydrophobicContact CZ2-CB 4.39Å; W101-D106 PolarHBondContact NE1-OD2 3.13Å; W101-R378 HydrophobicContact CD2-CG 4.31Å; W101-R378 VanDerWaalsContact CD2-NE 3.3Å; W101-R378 HydrophobicContact CE3-CB 4.35Å; W101-R378 HydrophobicContact CE3-CG 4.03Å; W101-R378 HydrophobicContact CH2-CB 4.1Å; W101-R378 HydrophobicContact CH2-CG 3.61Å; W101-R378 WeakPolarHBondContact CH2-O 3.33Å; W101-R378 HydrophobicContact CZ2-CG 3.89Å; W101-R378 HydrophobicContact CZ3-CB 3.81Å; W101-R378 HydrophobicContact CZ3-CG 3.67Å; W101-R378 VanDerWaalsContact NE1-CZ 3.34Å; W101-V379 VanDerWaalsContact CH2-C 3.44Å; W101-P380 HydrophobicContact CZ2-CG 4.45Å
102	D	71.5	Confident	80.4	Confident	47 Å²	47	43.9 Å²	43.9	25%	0.251	24%	0.237	S	C	.	.			trans	-123	159.1	173.2	-174.3	17.8	0	0	0	109.6	V104 C105 S206	D102-V104 PolarHBondContact O-N 3.07Å; D102-V104 VanDerWaalsContact O-N 3.15Å; D102-V104 WeakPolarHBondContact OD2-CG2 3.31Å; D102-C105 WeakPolarHBondContact O-CB 3.19Å; D102-C105 PolarHBondContact O-N 2.89Å; D102-S206 VanDerWaalsContact OD2-CB 3.29Å; D102-S206 WeakPolarHBondContact OD2-CB 3.44Å; D102-S206 PolarHBondContact OD2-N 3.14Å; D102-S206 PolarHBondContact OD2-OG 3.32Å
103	Y	72.9	Confident	80.6	Confident	143 Å²	143	43.4 Å²	43.4	56%	0.561	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-57.4	-31.3	179	72.4	-89.4	0	0	0	112	C105 D106	Y103-C105 PolarHBondContact O-N 2.9Å; Y103-D106 PolarHBondContact O-N 3.29Å; Y103-D106 VanDerWaalsContact O-N 3.15Å
104	V	76.4	Confident	81	Confident	15 Å²	15	41.3 Å²	41.3	9%	0.091	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.1	-29.9	175.4	-176.4	0	0	0	0	112	D102 D106 H107 T203	D102-V104 PolarHBondContact O-N 3.07Å; D102-V104 VanDerWaalsContact O-N 3.15Å; D102-V104 WeakPolarHBondContact OD2-CG2 3.31Å; V104-D106 PolarHBondContact O-N 3.09Å; V104-H107 PolarHBondContact O-N 3.36Å; V104-T203 HydrophobicContact CG1-CG2 4.28Å; V104-T203 WeakPolarHBondContact CG1-O 3.48Å; V104-T203 HydrophobicContact CG2-CG2 4.18Å
105	C	79.6	Confident	81.4	Confident	8 Å²	8	42 Å²	42	5%	0.054	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68	-17.4	-179.6	-64.5	0	0	0	0	113.4	R96 W101 D102 Y103 P380	R96-C105 HydrophobicContact CG-CB 4.21Å; W101-C105 HydrophobicContact CD2-CB 4.3Å; W101-C105 HydrophobicContact CG-CB 4.34Å; W101-C105 HydrophobicContact CZ2-CB 4.39Å; D102-C105 WeakPolarHBondContact O-CB 3.19Å; D102-C105 PolarHBondContact O-N 2.89Å; Y103-C105 PolarHBondContact O-N 2.9Å; C105-P380 VanDerWaalsContact O-CB 3.24Å; C105-P380 WeakPolarHBondContact O-CB 3.4Å; C105-P380 WeakPolarHBondContact O-CG 3.33Å
106	D	85	Confident	82	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.053	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-84.1	-15.1	-179	-76.5	-56.1	0	0	0	113.4	W101 Y103 V104 R378 Q381 S382	W101-D106 PolarHBondContact NE1-OD2 3.13Å; Y103-D106 PolarHBondContact O-N 3.29Å; Y103-D106 VanDerWaalsContact O-N 3.15Å; V104-D106 PolarHBondContact O-N 3.09Å; D106-R378 IonicContact OD2-NH2 3.62Å; D106-R378 PolarHBondContact OD2-NH2 3.19Å; D106-Q381 HydrophobicContact CB-CB 4.22Å; D106-Q381 HydrophobicContact CB-CG 4.11Å; D106-Q381 PolarHBondContact OD1-N 3.36Å; D106-Q381 VanDerWaalsContact OD1-N 3.09Å; D106-S382 WeakPolarHBondContact O-CB 3.14Å; D106-S382 PolarHBondContact O-N 3.37Å; D106-S382 PolarHBondContact O-OG 2.98Å; D106-S382 VanDerWaalsContact O-OG 3.05Å
107	H	84.4	Confident	82.9	Confident	103 Å²	103	41 Å²	41	48%	0.477	22%	0.215	S	C	.	.	S	Bend	trans	-91.9	160.2	-180	-61.6	-61.5	0	0	0	113.3	V104 S382	V104-H107 PolarHBondContact O-N 3.36Å; H107-S382 VanDerWaalsContact C-OG 3.28Å; H107-S382 PolarHBondContact O-OG 3.24Å
108	R	85.7	Confident	83.9	Confident	84 Å²	84	34.9 Å²	34.9	32%	0.317	18%	0.177	S	C	.	.			trans	-71.6	146.8	173.9	-60	-166	79.2	86.6	0.5	109.9	L77 Q110 Y247 S382 W385	L77-R108 HydrophobicContact CD1-CB 4.09Å; L77-R108 HydrophobicContact CD1-CG 4.26Å; R108-Q110 HydrophobicContact CB-CB 4.34Å; R108-Q110 HydrophobicContact CB-CG 4.25Å; R108-Q110 PolarHBondContact O-N 3.3Å; R108-Y247 PolarHBondContact NE-OH 3.02Å; R108-S382 VanDerWaalsContact CG-CB 3.43Å; R108-S382 PolarHBondContact N-OG 3.1Å; R108-S382 PolarHBondContact NH1-O 3.23Å; R108-W385 HydrophobicContact CG-CE3 4.31Å; R108-W385 HydrophobicContact CG-CZ3 4.43Å
109	A	82.8	Confident	85	Confident	20 Å²	20	37.7 Å²	37.7	17%	0.165	18%	0.181	C	C	.	.	S	Bend	trans	-73	56.6	171	0	0	0	0	0	112.5	V88 L92 F202	V88-A109 HydrophobicContact CB-CB 4.24Å; V88-A109 HydrophobicContact CG1-CB 3.39Å; L92-A109 HydrophobicContact CD1-CB 4.18Å; A109-F202 HydrophobicContact CB-CE2 4.09Å; A109-F202 HydrophobicContact CB-CZ 4.46Å
110	Q	87.8	Confident	86	Confident	11 Å²	11	37.1 Å²	37.1	5%	0.051	18%	0.179	C	C	.	.	S	Bend	trans	-141.9	153.8	-174.6	-64.8	179.5	-16.4	0	0	109.1	L77 E85 R108 P112 Y247	L77-Q110 HydrophobicContact CB-CB 4.04Å; L77-Q110 HydrophobicContact CD1-CB 4.18Å; E85-Q110 PolarHBondContact OE1-NE2 3.17Å; R108-Q110 HydrophobicContact CB-CB 4.34Å; R108-Q110 HydrophobicContact CB-CG 4.25Å; R108-Q110 PolarHBondContact O-N 3.3Å; Q110-P112 WeakPolarHBondContact O-CD 3.32Å; Q110-Y247 VanDerWaalsContact OE1-CE2 3.3Å
111	I	87	Confident	87.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.3	-175.6	-64.2	160.2	0	0	0	109.5	L77 L78 L80 L113 F150 F162 Y200 F202	L77-I111 CarbonylContact C-O 3.6Å; L77-I111 WeakPolarHBondContact CA-O 3.45Å; L78-I111 HydrophobicContact CB-CB 4.2Å; L78-I111 HydrophobicContact CD2-CD1 4.17Å; L78-I111 PolarHBondContact N-O 3.14Å; L78-I111 PolarHBondContact O-N 2.67Å; L80-I111 HydrophobicContact CD1-CD1 4.34Å; I111-L113 HydrophobicContact CG2-CD2 4.27Å; I111-F150 HydrophobicContact CD1-CE2 3.87Å; I111-F150 HydrophobicContact CD1-CZ 4.11Å; I111-F150 HydrophobicContact CG1-CZ 4.45Å; I111-F162 HydrophobicContact CD1-CD2 4.07Å; I111-F162 HydrophobicContact CD1-CE2 3.26Å; I111-F162 HydrophobicContact CD1-CZ 3.73Å; I111-Y200 HydrophobicContact CG2-CD1 4.24Å; I111-F202 HydrophobicContact CG1-CD1 3.68Å; I111-F202 HydrophobicContact CG1-CE1 4.17Å
112	P	89	Confident	88.3	Confident	49 Å²	49	37.8 Å²	37.8	32%	0.318	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.1	178.1	30.4	-33.5	0	0	0	111.4	L77 Q110	L77-P112 HydrophobicContact CD2-CB 4.08Å; Q110-P112 WeakPolarHBondContact O-CD 3.32Å
113	L	90.5	Very high	89.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-46.9	177.1	-58	-178.6	0	0	0	112.3	V76 L78 I111 L171 P195 Y200 F244	V76-L113 HydrophobicContact CB-CB 4.33Å; V76-L113 HydrophobicContact CG1-CB 3.85Å; V76-L113 HydrophobicContact CG1-CD1 4.02Å; V76-L113 HydrophobicContact CG1-CG 4.45Å; V76-L113 WeakPolarHBondContact O-CA 3.3Å; V76-L113 WeakPolarHBondContact O-CB 3.48Å; V76-L113 PolarHBondContact O-N 3.23Å; L78-L113 HydrophobicContact CB-CD1 4.23Å; L78-L113 HydrophobicContact CB-CG 4.49Å; I111-L113 HydrophobicContact CG2-CD2 4.27Å; L113-L171 HydrophobicContact CD1-CD2 4.38Å; L113-L171 HydrophobicContact CD2-CB 4.05Å; L113-L171 HydrophobicContact CD2-CD1 4.08Å; L113-L171 HydrophobicContact CD2-CD2 4.13Å; L113-L171 HydrophobicContact CD2-CG 4.3Å; L113-P195 VanDerWaalsContact O-CD 3.3Å; L113-P195 WeakPolarHBondContact O-CD 3.28Å; L113-Y200 HydrophobicContact CD2-CD1 4.42Å; L113-Y200 HydrophobicContact CD2-CE1 4.04Å; L113-F244 HydrophobicContact CD1-CD1 3.59Å; L113-F244 HydrophobicContact CD1-CE1 3.55Å
114	L	93.1	Very high	90.7	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.8	178.4	-65.4	166.9	0	0	0	110.5	H75 V76 L116 F178 L179 N194	H75-L114 WeakPolarHBondContact CA-O 3.3Å; V76-L114 HydrophobicContact CB-CB 3.93Å; V76-L114 HydrophobicContact CG2-CB 4.01Å; V76-L114 HydrophobicContact CG2-CD1 4.37Å; V76-L114 PolarHBondContact N-O 3.01Å; V76-L114 PolarHBondContact O-N 2.5Å; L114-L116 HydrophobicContact CB-CD2 4.22Å; L114-L116 HydrophobicContact CB-CG 4.27Å; L114-F178 HydrophobicContact CD1-CD1 3.59Å; L114-F178 HydrophobicContact CD1-CE1 4.12Å; L114-L179 HydrophobicContact CD1-CD2 4.24Å; L114-L179 HydrophobicContact CD1-CG 4.25Å; L114-L179 HydrophobicContact CD2-CD1 4.09Å; L114-L179 HydrophobicContact CD2-CG 4.48Å; L114-N194 HydrophobicContact CD2-CB 3.94Å
115	H	94	Very high	91.7	Very high	32 Å²	32	31.8 Å²	31.8	15%	0.148	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.7	164.6	178.3	-166.1	0	0	0	108	D73 F74 H75 V192 S193	D73-H115 IonicContact OD1-CD2 3.47Å; D73-H115 IonicContact OD1-CE1 3.28Å; D73-H115 IonicContact OD1-NE2 3.08Å; D73-H115 PolarHBondContact OD1-NE2 2.87Å; F74-H115 WeakPolarHBondContact O-CA 3.29Å; H75-H115 AromaticContact CE1-CD2 3.47Å; H75-H115 PolarHBondContact CE1-CD2 2.82Å; H75-H115 VanDerWaalsContact CE1-CD2 3.47Å; H75-H115 AromaticContact CE1-CE1 3.93Å; H75-H115 AromaticContact CE1-CG 3.6Å; H75-H115 AromaticContact CE1-ND1 3.9Å; H75-H115 AromaticContact CE1-NE2 3.72Å; H75-H115 AromaticContact ND1-CD2 3.95Å; H75-H115 AromaticContact ND1-CG 3.91Å; H75-H115 AromaticContact NE2-CD2 3.85Å; H75-H115 AromaticContact NE2-NE2 3.92Å; H115-V192 HydrophobicContact CB-CB 4.33Å; H115-V192 WeakPolarHBondContact ND1-CG1 3.29Å; H115-V192 PolarHBondContact O-N 2.74Å; H115-S193 VanDerWaalsContact CB-OG 3.25Å; H115-S193 WeakPolarHBondContact CB-OG 3.25Å; H115-S193 PolarHBondContact N-O 3.19Å; H115-S193 PolarHBondContact O-N 2.46Å
116	L	96.8	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.2	-175.4	-53.4	178.2	0	0	0	109.9	D73 F74 L114 V118 L126 F178 L179 L182 C190 V191	D73-L116 CarbonylContact C-O 3.51Å; D73-L116 WeakPolarHBondContact CA-O 3.22Å; F74-L116 HydrophobicContact CB-CB 4.39Å; F74-L116 PolarHBondContact N-O 2.8Å; F74-L116 PolarHBondContact O-N 2.79Å; L114-L116 HydrophobicContact CB-CD2 4.22Å; L114-L116 HydrophobicContact CB-CG 4.27Å; L116-V118 HydrophobicContact CB-CG2 4.2Å; L116-L126 HydrophobicContact CD1-CD1 3.99Å; L116-F178 HydrophobicContact CD1-CE1 3.97Å; L116-L179 HydrophobicContact CD2-CD2 3.95Å; L116-L182 HydrophobicContact CD1-CD1 4.23Å; L116-C190 CarbonylContact C-O 3.56Å; L116-C190 WeakPolarHBondContact CA-O 3.41Å; L116-V191 HydrophobicContact CD2-CB 4.4Å; L116-V191 HydrophobicContact CD2-CG1 4.39Å; L116-V191 HydrophobicContact CD2-CG2 3.94Å
117	R	97.1	Very high	93.2	Very high	40 Å²	40	32.1 Å²	32.1	15%	0.151	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.9	170.7	-176.8	172.9	-59	139.2	7.3	109.4	E71 I72 D73 C190 V192	E71-R117 HydrophobicContact CB-CG 3.38Å; E71-R117 HydrophobicContact CG-CG 4.21Å; E71-R117 WeakPolarHBondContact OE2-CD 3.31Å; E71-R117 WeakPolarHBondContact OE2-CG 3.44Å; I72-R117 WeakPolarHBondContact O-CA 3.38Å; D73-R117 IonicContact OD1-CZ 3.25Å; D73-R117 IonicContact OD1-NE 3.53Å; D73-R117 PolarHBondContact OD1-NE 2.86Å; D73-R117 IonicContact OD1-NH2 3.59Å; D73-R117 PolarHBondContact OD1-NH2 3Å; D73-R117 VanDerWaalsContact OD1-NH2 3.11Å; D73-R117 IonicContact OD2-NE 2.86Å; R117-C190 HydrophobicContact CB-CB 4.18Å; R117-C190 PolarHBondContact N-O 3.48Å; R117-C190 PolarHBondContact O-N 3.15Å; R117-V192 HydrophobicContact CB-CG2 3.82Å
118	V	97.1	Very high	93.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.7	-165.1	-173.4	0	0	0	0	109.9	I72 F74 L116 D122 L126 V189	I72-V118 PolarHBondContact N-O 3.37Å; I72-V118 PolarHBondContact O-N 3.4Å; F74-V118 HydrophobicContact CD2-CB 3.95Å; F74-V118 HydrophobicContact CD2-CG2 4.04Å; F74-V118 HydrophobicContact CE2-CB 4.02Å; L116-V118 HydrophobicContact CB-CG2 4.2Å; V118-D122 HydrophobicContact CG1-CB 3.45Å; V118-D122 VanDerWaalsContact CG1-CB 3.45Å; V118-L126 HydrophobicContact CB-CD2 4.5Å; V118-L126 HydrophobicContact CG2-CD2 3.96Å; V118-V189 HydrophobicContact CG1-CG1 4.48Å; V118-V189 HydrophobicContact CG2-CB 4.12Å; V118-V189 HydrophobicContact CG2-CG1 3.66Å
119	K	96.1	Very high	94.3	Very high	104 Å²	104	23.2 Å²	23.2	45%	0.452	11%	0.114	S	C	.	.			trans	-71	148.4	174.1	-69.5	-177.3	-177.6	175.3	0	110.3	E71 H121 D122 A123	E71-K119 HydrophobicContact CG-CG 4.11Å; K119-H121 VanDerWaalsContact CB-CE1 3.42Å; K119-H121 WeakPolarHBondContact CB-CE1 3.39Å; K119-H121 WeakPolarHBondContact CD-CE1 3.19Å; K119-H121 PolarHBondContact O-N 2.65Å; K119-D122 PolarHBondContact O-N 3.33Å; K119-A123 PolarHBondContact O-N 3.33Å
120	P	95.8	Very high	94.9	Very high	8 Å²	8	22.2 Å²	22.2	5%	0.052	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.7	-177.5	-29.7	35.4	0	0	0	115.1	L39 Y40 F70 I72 D122 A123	L39-P120 HydrophobicContact CD2-CB 4.16Å; L39-P120 HydrophobicContact CG-CB 4.39Å; Y40-P120 HydrophobicContact CD1-CB 3.79Å; Y40-P120 HydrophobicContact CD1-CG 4.09Å; Y40-P120 HydrophobicContact CE1-CB 3.56Å; Y40-P120 HydrophobicContact CE1-CG 3.58Å; F70-P120 HydrophobicContact CD2-CG 4.38Å; F70-P120 HydrophobicContact CE2-CG 3.93Å; F70-P120 HydrophobicContact CZ-CG 4.28Å; F70-P120 VanDerWaalsContact O-CD 3.24Å; F70-P120 WeakPolarHBondContact O-CD 3.36Å; I72-P120 HydrophobicContact CD1-CB 4.27Å; I72-P120 HydrophobicContact CD1-CG 3.94Å; I72-P120 HydrophobicContact CG1-CG 4.39Å; P120-D122 VanDerWaalsContact C-N 3.32Å; P120-D122 PolarHBondContact O-N 3.3Å; P120-A123 WeakPolarHBondContact O-CB 3.23Å; P120-A123 PolarHBondContact O-N 3.1Å
121	H	95.1	Very high	95.3	Very high	100 Å²	100	23.4 Å²	23.4	46%	0.463	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.8	178.8	58.7	-100	0	0	0	113.8	L39 K119	L39-H121 HydrophobicContact CD2-CB 4.37Å; K119-H121 VanDerWaalsContact CB-CE1 3.42Å; K119-H121 WeakPolarHBondContact CB-CE1 3.39Å; K119-H121 WeakPolarHBondContact CD-CE1 3.19Å; K119-H121 PolarHBondContact O-N 2.65Å
122	D	97.1	Very high	95.5	Very high	13 Å²	13	26.8 Å²	26.8	7%	0.07	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.1	179.7	-72.3	-36.6	0	0	0	112.6	V118 K119 P120 L124 H125 L126 V187	V118-D122 HydrophobicContact CG1-CB 3.45Å; V118-D122 VanDerWaalsContact CG1-CB 3.45Å; K119-D122 PolarHBondContact O-N 3.33Å; P120-D122 VanDerWaalsContact C-N 3.32Å; P120-D122 PolarHBondContact O-N 3.3Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 2.82Å; D122-H125 PolarHBondContact O-N 3Å; D122-L126 WeakPolarHBondContact O-CB 3.41Å; D122-L126 PolarHBondContact O-N 3.35Å; D122-V187 HydrophobicContact CB-CG1 4.02Å
123	A	97.2	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-37.3	-174.4	0	0	0	0	0	113.9	V43 F47 F74 K119 P120 K127	V43-A123 HydrophobicContact CB-CB 4.47Å; V43-A123 HydrophobicContact CG1-CB 3.8Å; V43-A123 HydrophobicContact CG2-CB 3.73Å; F47-A123 HydrophobicContact CE2-CB 4.33Å; F47-A123 HydrophobicContact CZ-CB 4.21Å; F74-A123 HydrophobicContact CE2-CB 4.29Å; F74-A123 HydrophobicContact CZ-CB 3.75Å; K119-A123 PolarHBondContact O-N 3.33Å; P120-A123 WeakPolarHBondContact O-CB 3.23Å; P120-A123 PolarHBondContact O-N 3.1Å; A123-K127 PolarHBondContact O-N 2.99Å
124	L	97.6	Very high	95.6	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-70.3	-40.6	178.4	-178.2	55.8	0	0	0	111.6	V17 I18 F47 D122 K127 S128	V17-L124 HydrophobicContact CG1-CD1 4.47Å; I18-L124 HydrophobicContact CD1-CG 3.92Å; F47-L124 HydrophobicContact CD1-CD1 4.19Å; F47-L124 HydrophobicContact CD2-CD1 4.42Å; F47-L124 HydrophobicContact CE1-CB 4.04Å; F47-L124 HydrophobicContact CE1-CD1 4.19Å; F47-L124 HydrophobicContact CE1-CG 4.5Å; F47-L124 HydrophobicContact CE2-CB 4.35Å; F47-L124 HydrophobicContact CE2-CD1 4.41Å; F47-L124 HydrophobicContact CG-CD1 4.3Å; F47-L124 HydrophobicContact CZ-CB 3.74Å; F47-L124 HydrophobicContact CZ-CD1 4.28Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 2.82Å; L124-K127 PolarHBondContact O-N 3.49Å; L124-S128 WeakPolarHBondContact O-CB 3.49Å; L124-S128 PolarHBondContact O-N 3.39Å
125	H	97.4	Very high	95.2	Very high	69 Å²	69	27 Å²	27	32%	0.319	14%	0.138	S	C	.	.	H	α-helix	trans	-66.3	-43.1	175.5	-64.7	100.1	0	0	0	111.2	D122 K127 S128 V129 V187	D122-H125 PolarHBondContact O-N 3Å; H125-K127 VanDerWaalsContact C-N 3.34Å; H125-K127 PolarHBondContact O-N 3.1Å; H125-S128 WeakPolarHBondContact O-CB 3.47Å; H125-S128 PolarHBondContact O-N 2.76Å; H125-S128 VanDerWaalsContact O-N 3.14Å; H125-V129 WeakPolarHBondContact O-CG2 3.43Å; H125-V129 PolarHBondContact O-N 3.5Å; H125-V187 HydrophobicContact CB-CG1 4.47Å; H125-V187 HydrophobicContact CB-CG2 3.64Å
126	L	97.9	Very high	94.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-52.5	-51.2	171.8	175.4	71.2	0	0	0	111.4	F74 L116 V118 D122 S128 V129 F130 F178 L182 V187 V189	F74-L126 HydrophobicContact CB-CD2 4.03Å; F74-L126 HydrophobicContact CD1-CD2 3.61Å; F74-L126 HydrophobicContact CD2-CD2 3.74Å; F74-L126 HydrophobicContact CE1-CD2 3.92Å; F74-L126 HydrophobicContact CE2-CD2 4.05Å; F74-L126 HydrophobicContact CG-CD2 3.52Å; F74-L126 HydrophobicContact CZ-CD2 4.14Å; L116-L126 HydrophobicContact CD1-CD1 3.99Å; V118-L126 HydrophobicContact CB-CD2 4.5Å; V118-L126 HydrophobicContact CG2-CD2 3.96Å; D122-L126 WeakPolarHBondContact O-CB 3.41Å; D122-L126 PolarHBondContact O-N 3.35Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 3.29Å; L126-V129 PolarHBondContact O-N 2.94Å; L126-F130 WeakPolarHBondContact O-CB 3.4Å; L126-F130 PolarHBondContact O-N 3.43Å; L126-F178 HydrophobicContact CD1-CZ 3.9Å; L126-L182 HydrophobicContact CD1-CD1 3.92Å; L126-L182 HydrophobicContact CD1-CD2 3.71Å; L126-L182 HydrophobicContact CD1-CG 4.49Å; L126-V187 HydrophobicContact CB-CG1 4.3Å; L126-V189 HydrophobicContact CD1-CG1 4.4Å
127	K	97.3	Very high	92.9	Very high	24 Å²	24	33.9 Å²	33.9	10%	0.104	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-41.9	178.4	-175.9	-179.8	179.9	173.2	0	111.9	V17 G46 F47 A123 L124 H125 F130 V131 L246 H388	V17-K127 HydrophobicContact CG1-CB 4.48Å; V17-K127 HydrophobicContact CG1-CD 4.11Å; V17-K127 HydrophobicContact CG1-CG 3.98Å; G46-K127 PolarHBondContact O-NZ 2.85Å; F47-K127 HydrophobicContact CD2-CD 3.9Å; A123-K127 PolarHBondContact O-N 2.99Å; L124-K127 PolarHBondContact O-N 3.49Å; H125-K127 VanDerWaalsContact C-N 3.34Å; H125-K127 PolarHBondContact O-N 3.1Å; K127-F130 WeakPolarHBondContact O-CB 3.37Å; K127-F130 PolarHBondContact O-N 3.5Å; K127-V131 WeakPolarHBondContact O-CG2 3.41Å; K127-V131 PolarHBondContact O-N 3.05Å; K127-L246 HydrophobicContact CB-CD2 4.38Å; K127-H388 HydrophobicContact CD-CB 4.42Å; K127-H388 VanDerWaalsContact CE-O 3.25Å; K127-H388 WeakPolarHBondContact CE-O 3.24Å; K127-H388 PolarHBondContact NZ-O 2.72Å
128	S	96.9	Very high	91.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-48.3	178.8	-175.6	0	0	0	0	112.3	D14 L124 H125 L126 F130 V131 K132	D14-S128 WeakPolarHBondContact CA-OG 3.35Å; D14-S128 PolarHBondContact N-OG 2.91Å; D14-S128 PolarHBondContact O-OG 3.06Å; L124-S128 WeakPolarHBondContact O-CB 3.49Å; L124-S128 PolarHBondContact O-N 3.39Å; H125-S128 WeakPolarHBondContact O-CB 3.47Å; H125-S128 PolarHBondContact O-N 2.76Å; H125-S128 VanDerWaalsContact O-N 3.14Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 3.29Å; S128-F130 VanDerWaalsContact C-N 3.28Å; S128-F130 PolarHBondContact O-N 3.05Å; S128-V131 PolarHBondContact O-N 3.48Å; S128-K132 PolarHBondContact O-N 2.97Å; S128-K132 VanDerWaalsContact O-N 3.15Å
129	V	96.5	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-36.8	175.8	179.9	0	0	0	0	110.7	L13 H125 L126 S133 F178 K181 L182 A185 V187	L13-V129 HydrophobicContact CD2-CG2 3.7Å; H125-V129 WeakPolarHBondContact O-CG2 3.43Å; H125-V129 PolarHBondContact O-N 3.5Å; L126-V129 PolarHBondContact O-N 2.94Å; V129-S133 WeakPolarHBondContact O-CB 3.26Å; V129-S133 PolarHBondContact O-N 3.34Å; V129-S133 PolarHBondContact O-OG 3.36Å; V129-F178 HydrophobicContact CB-CE2 4.28Å; V129-F178 HydrophobicContact CG1-CD2 4.04Å; V129-F178 HydrophobicContact CG1-CE2 3.83Å; V129-K181 HydrophobicContact CG1-CB 3.84Å; V129-L182 HydrophobicContact CB-CD2 3.73Å; V129-L182 HydrophobicContact CG1-CD2 3.74Å; V129-L182 HydrophobicContact CG1-CG 4.06Å; V129-L182 HydrophobicContact CG2-CD2 4.1Å; V129-A185 HydrophobicContact CG2-CB 3.88Å; V129-V187 HydrophobicContact CG2-CG2 4.34Å
130	F	96.4	Very high	88.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-55.7	176.4	175.4	-86.3	0	0	0	111.3	V76 L126 K127 S128 K132 S133 F134 F178 F244 L246 C389 V391	V76-F130 HydrophobicContact CG1-CE2 4.11Å; V76-F130 HydrophobicContact CG2-CD2 4.41Å; V76-F130 HydrophobicContact CG2-CE2 4.32Å; L126-F130 WeakPolarHBondContact O-CB 3.4Å; L126-F130 PolarHBondContact O-N 3.43Å; K127-F130 WeakPolarHBondContact O-CB 3.37Å; K127-F130 PolarHBondContact O-N 3.5Å; S128-F130 VanDerWaalsContact C-N 3.28Å; S128-F130 PolarHBondContact O-N 3.05Å; F130-K132 PolarHBondContact O-N 2.9Å; F130-S133 PolarHBondContact O-N 2.89Å; F130-S133 VanDerWaalsContact O-N 3.1Å; F130-F134 HydrophobicContact CD1-CD2 4.49Å; F130-F134 AromaticContact CD2-CD2 3.42Å; F130-F134 HydrophobicContact CD2-CD2 3.42Å; F130-F134 VanDerWaalsContact CD2-CD2 3.42Å; F130-F134 AromaticContact CD2-CE2 3.5Å; F130-F134 HydrophobicContact CD2-CE2 3.5Å; F130-F134 VanDerWaalsContact CD2-CE2 3.5Å; F130-F134 HydrophobicContact CD2-CG 4.44Å; F130-F134 AromaticContact CE2-CD2 3.56Å; F130-F134 HydrophobicContact CE2-CD2 3.56Å; F130-F134 AromaticContact CE2-CE2 3.69Å; F130-F134 HydrophobicContact CE2-CE2 3.69Å; F130-F134 HydrophobicContact CE2-CG 4.21Å; F130-F134 HydrophobicContact CE2-CZ 4.39Å; F130-F134 AromaticContact CG-CD2 3.93Å; F130-F134 HydrophobicContact CG-CD2 3.93Å; F130-F134 HydrophobicContact CG-CE2 4.37Å; F130-F134 HydrophobicContact CZ-CD2 4.17Å; F130-F134 HydrophobicContact CZ-CG 4.46Å; F130-F134 WeakPolarHBondContact O-CD2 3.33Å; F130-F134 PolarHBondContact O-N 3.41Å; F130-F178 HydrophobicContact CB-CE2 3.98Å; F130-F178 HydrophobicContact CB-CZ 4.06Å; F130-F178 HydrophobicContact CD2-CZ 4.23Å; F130-F244 HydrophobicContact CZ-CB 3.92Å; F130-L246 HydrophobicContact CB-CD2 4.18Å; F130-L246 HydrophobicContact CD1-CB 4.1Å; F130-L246 HydrophobicContact CD1-CD2 4.44Å; F130-L246 HydrophobicContact CD2-CB 4.08Å; F130-L246 HydrophobicContact CD2-CD1 4.24Å; F130-L246 HydrophobicContact CD2-CD2 4.43Å; F130-L246 HydrophobicContact CD2-CG 4.49Å; F130-L246 HydrophobicContact CE1-CB 3.94Å; F130-L246 HydrophobicContact CE2-CB 3.91Å; F130-L246 HydrophobicContact CG-CB 4.18Å; F130-L246 HydrophobicContact CG-CD2 4.11Å; F130-L246 HydrophobicContact CZ-CB 3.85Å; F130-C389 WeakPolarHBondContact CD1-SG 3.5Å; F130-C389 VanDerWaalsContact CE1-SG 3.58Å; F130-V391 HydrophobicContact CD1-CG2 4.31Å; F130-V391 HydrophobicContact CE1-CG2 3.83Å
131	V	94.9	Very high	86.3	Confident	35 Å²	35	38.3 Å²	38.3	21%	0.212	22%	0.216	C	C	.	.	H	α-helix	trans	-56.1	-43.7	-179	171	0	0	0	0	110.8	V17 K127 S128 G135 C389 V391	V17-V131 HydrophobicContact CG2-CB 4.18Å; V17-V131 HydrophobicContact CG2-CG1 4.16Å; V17-V131 HydrophobicContact CG2-CG2 4.14Å; K127-V131 WeakPolarHBondContact O-CG2 3.41Å; K127-V131 PolarHBondContact O-N 3.05Å; S128-V131 PolarHBondContact O-N 3.48Å; V131-G135 WeakPolarHBondContact O-CA 3.41Å; V131-G135 PolarHBondContact O-N 3.09Å; V131-C389 HydrophobicContact CG2-CB 4.31Å; V131-V391 HydrophobicContact CG2-CG2 4.48Å
132	K	91.6	Very high	84.4	Confident	72 Å²	72	35 Å²	35	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-69.6	-36.9	179.2	-163.5	172.4	-153.8	159.9	0	113.7	G11 L12 L13 D14 S128 F130	G11-K132 WeakPolarHBondContact O-CE 3.26Å; G11-K132 PolarHBondContact O-NZ 3.17Å; L12-K132 WeakPolarHBondContact O-CD 3.19Å; L13-K132 PolarHBondContact O-NZ 3.28Å; D14-K132 HydrophobicContact CB-CB 4.45Å; S128-K132 PolarHBondContact O-N 2.97Å; S128-K132 VanDerWaalsContact O-N 3.15Å; F130-K132 PolarHBondContact O-N 2.9Å
133	S	91.3	Very high	82.2	Confident	15 Å²	15	39.1 Å²	39.1	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-76.4	-42.3	-175.3	-61.3	0	0	0	0	112.2	V129 F130 K181	V129-S133 WeakPolarHBondContact O-CB 3.26Å; V129-S133 PolarHBondContact O-N 3.34Å; V129-S133 PolarHBondContact O-OG 3.36Å; F130-S133 PolarHBondContact O-N 2.89Å; F130-S133 VanDerWaalsContact O-N 3.1Å; S133-K181 WeakPolarHBondContact OG-CD 3.34Å
134	F	90.5	Very high	80.3	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-89.6	-12.8	-177.8	-69.5	-85	0	0	0	113.2	V76 F130 L136 I174 F178 F244 V391	V76-F134 HydrophobicContact CG1-CE1 4.35Å; V76-F134 HydrophobicContact CG1-CE2 4.34Å; V76-F134 HydrophobicContact CG1-CZ 3.79Å; F130-F134 HydrophobicContact CD1-CD2 4.49Å; F130-F134 AromaticContact CD2-CD2 3.42Å; F130-F134 HydrophobicContact CD2-CD2 3.42Å; F130-F134 VanDerWaalsContact CD2-CD2 3.42Å; F130-F134 AromaticContact CD2-CE2 3.5Å; F130-F134 HydrophobicContact CD2-CE2 3.5Å; F130-F134 VanDerWaalsContact CD2-CE2 3.5Å; F130-F134 HydrophobicContact CD2-CG 4.44Å; F130-F134 AromaticContact CE2-CD2 3.56Å; F130-F134 HydrophobicContact CE2-CD2 3.56Å; F130-F134 AromaticContact CE2-CE2 3.69Å; F130-F134 HydrophobicContact CE2-CE2 3.69Å; F130-F134 HydrophobicContact CE2-CG 4.21Å; F130-F134 HydrophobicContact CE2-CZ 4.39Å; F130-F134 AromaticContact CG-CD2 3.93Å; F130-F134 HydrophobicContact CG-CD2 3.93Å; F130-F134 HydrophobicContact CG-CE2 4.37Å; F130-F134 HydrophobicContact CZ-CD2 4.17Å; F130-F134 HydrophobicContact CZ-CG 4.46Å; F130-F134 WeakPolarHBondContact O-CD2 3.33Å; F130-F134 PolarHBondContact O-N 3.41Å; F134-L136 VanDerWaalsContact C-N 3.32Å; F134-I174 HydrophobicContact CD1-CG2 3.78Å; F134-I174 HydrophobicContact CE1-CG2 3.34Å; F134-I174 HydrophobicContact CZ-CG2 4.08Å; F134-F178 HydrophobicContact CD2-CD2 4.45Å; F134-F178 HydrophobicContact CE2-CB 4.04Å; F134-F178 AromaticContact CE2-CD1 3.84Å; F134-F178 HydrophobicContact CE2-CD1 3.84Å; F134-F178 AromaticContact CE2-CD2 3.82Å; F134-F178 HydrophobicContact CE2-CD2 3.82Å; F134-F178 HydrophobicContact CE2-CE1 4.19Å; F134-F178 HydrophobicContact CE2-CE2 4.2Å; F134-F178 AromaticContact CE2-CG 3.62Å; F134-F178 HydrophobicContact CE2-CG 3.62Å; F134-F178 HydrophobicContact CE2-CZ 4.36Å; F134-F178 HydrophobicContact CZ-CB 4.17Å; F134-F178 HydrophobicContact CZ-CD1 4.19Å; F134-F178 HydrophobicContact CZ-CG 4.12Å; F134-F244 HydrophobicContact CB-CB 4.23Å; F134-F244 HydrophobicContact CB-CD2 3.96Å; F134-F244 HydrophobicContact CB-CG 4.27Å; F134-F244 HydrophobicContact CD1-CB 3.91Å; F134-F244 AromaticContact CD1-CD1 3.65Å; F134-F244 HydrophobicContact CD1-CD1 3.65Å; F134-F244 AromaticContact CD1-CD2 3.51Å; F134-F244 HydrophobicContact CD1-CD2 3.51Å; F134-F244 AromaticContact CD1-CE1 3.97Å; F134-F244 HydrophobicContact CD1-CE1 3.97Å; F134-F244 AromaticContact CD1-CE2 3.81Å; F134-F244 HydrophobicContact CD1-CE2 3.81Å; F134-F244 AromaticContact CD1-CG 3.4Å; F134-F244 HydrophobicContact CD1-CG 3.4Å; F134-F244 VanDerWaalsContact CD1-CG 3.4Å; F134-F244 HydrophobicContact CD1-CZ 4.04Å; F134-F244 AromaticContact CE1-CD1 3.76Å; F134-F244 HydrophobicContact CE1-CD1 3.76Å; F134-F244 HydrophobicContact CE1-CD2 4.43Å; F134-F244 AromaticContact CE1-CE1 3.98Å; F134-F244 HydrophobicContact CE1-CE1 3.98Å; F134-F244 AromaticContact CE1-CG 4Å; F134-F244 HydrophobicContact CE1-CG 4Å; F134-F244 HydrophobicContact CE1-CZ 4.39Å; F134-F244 HydrophobicContact CG-CB 4.16Å; F134-F244 HydrophobicContact CG-CD2 4.15Å; F134-F244 HydrophobicContact CG-CG 4.1Å; F134-V391 HydrophobicContact CB-CB 4.3Å; F134-V391 HydrophobicContact CB-CG1 4.33Å; F134-V391 WeakPolarHBondContact O-CG1 3.46Å
135	G	83.9	Confident	78.7	Confident	44 Å²	44	51.4 Å²	51.4	45%	0.454	29%	0.293	S	S	.	.	S	Bend	trans	-80.6	-6.9	177.2	0	0	0	0	0	115.1	V131 V391	V131-G135 WeakPolarHBondContact O-CA 3.41Å; V131-G135 PolarHBondContact O-N 3.09Å; G135-V391 VanDerWaalsContact CA-CG1 3.47Å
136	L	75.6	Confident	77.2	Confident	102 Å²	102	55.9 Å²	55.9	53%	0.534	31%	0.312	S	S	.	.	S	Bend	trans	-73.5	142.1	175.3	-62.9	172.9	0	0	0	109.9	F134 I138	F134-L136 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 3.32Å
137	S	68.4	Low	75.9	Confident	74 Å²	74	59.2 Å²	59.2	52%	0.517	33%	0.334	S	S	.	.			trans	-61.8	130.3	171.1	-59.6	0	0	0	0	109.5	P139	S137-P139 WeakPolarHBondContact O-CD 3.5Å
138	I	68.2	Low	74.9	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.7	-178.9	-68.8	157.9	0	0	0	107.7	L136 L140 L170 I174 F244 L393 N394	L136-I138 PolarHBondContact O-N 3.32Å; I138-L140 PolarHBondContact O-N 3.35Å; I138-L170 HydrophobicContact CG2-CD1 3.76Å; I138-L170 HydrophobicContact CG2-CD2 3.75Å; I138-L170 HydrophobicContact CG2-CG 4.16Å; I138-I174 HydrophobicContact CD1-CD1 3.51Å; I138-I174 HydrophobicContact CD1-CG1 4.22Å; I138-I174 HydrophobicContact CG1-CD1 4.24Å; I138-I174 HydrophobicContact CG2-CD1 4.19Å; I138-F244 HydrophobicContact CD1-CE2 3.92Å; I138-F244 HydrophobicContact CD1-CZ 4.21Å; I138-L393 HydrophobicContact CB-CD1 4.01Å; I138-L393 HydrophobicContact CD1-CD1 3.4Å; I138-L393 HydrophobicContact CG1-CD1 4.23Å; I138-N394 PolarHBondContact N-O 3.47Å
139	P	63.1	Low	74.1	Confident	88 Å²	88	60.9 Å²	60.9	57%	0.571	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	120	174.1	-17.4	30.8	0	0	0	109.3	S137	S137-P139 WeakPolarHBondContact O-CD 3.5Å
140	L	61.2	Low	73.3	Confident	10 Å²	10	61 Å²	61	5%	0.052	34%	0.343	C	S	.	.			trans	-95.4	110.8	173	-153.1	75.2	0	0	0	107.7	I138 L142 L170 L395 T396	I138-L140 PolarHBondContact O-N 3.35Å; L140-L142 HydrophobicContact CD2-CB 4.43Å; L140-L142 HydrophobicContact CD2-CD1 3.25Å; L140-L142 HydrophobicContact CD2-CD2 4.23Å; L140-L142 HydrophobicContact CD2-CG 3.35Å; L140-L142 HydrophobicContact CG-CD1 4.25Å; L140-L142 HydrophobicContact CG-CG 3.8Å; L140-L142 PolarHBondContact O-N 2.88Å; L140-L170 HydrophobicContact CD1-CD2 3.14Å; L140-L395 HydrophobicContact CB-CD2 4.07Å; L140-L395 HydrophobicContact CD1-CD2 3.88Å; L140-L395 HydrophobicContact CD2-CD1 4.06Å; L140-L395 HydrophobicContact CD2-CD2 3.94Å; L140-L395 HydrophobicContact CD2-CG 4.47Å; L140-L395 HydrophobicContact CG-CD2 4.19Å; L140-T396 PolarHBondContact N-O 2.81Å
141	L	53.7	Low	72.6	Confident	130 Å²	130	64.1 Å²	64.1	68%	0.681	36%	0.358	S	S	*	.			trans	-79.7	61.7	167.6	-94.7	120	0	0	0	109.4	T143	L141-T143 PolarHBondContact O-N 3.31Å
142	L	56.7	Low	72.1	Confident	31 Å²	31	63.9 Å²	63.9	16%	0.162	36%	0.357	C	S	.	.			trans	-79.1	105.3	158.1	-67.8	-179.6	0	0	0	106.3	L140 D144 L148 D164	L140-L142 HydrophobicContact CD2-CB 4.43Å; L140-L142 HydrophobicContact CD2-CD1 3.25Å; L140-L142 HydrophobicContact CD2-CD2 4.23Å; L140-L142 HydrophobicContact CD2-CG 3.35Å; L140-L142 HydrophobicContact CG-CD1 4.25Å; L140-L142 HydrophobicContact CG-CG 3.8Å; L140-L142 PolarHBondContact O-N 2.88Å; L142-D144 PolarHBondContact O-N 3.11Å; L142-L148 HydrophobicContact CD1-CB 4.39Å; L142-D164 WeakPolarHBondContact CD2-OD2 3.37Å
143	T	50.7	Low	71.5	Confident	98 Å²	98	62.7 Å²	62.7	60%	0.601	35%	0.354	S	S	*	.			trans	-76.2	-10.3	-178	51.9	0	0	0	0	113.6	L141 R166	L141-T143 PolarHBondContact O-N 3.31Å; T143-R166 PolarHBondContact OG1-NH1 2.88Å
144	D	57.5	Low	70.7	Confident	86 Å²	86	64.3 Å²	64.3	46%	0.46	36%	0.363	S	S	.	.	S	Bend	trans	-119.9	137.1	-168.4	-57.9	0.5	0	0	0	108.7	L142 K146	L142-D144 PolarHBondContact O-N 3.11Å; D144-K146 PolarHBondContact O-N 2.71Å
145	D	63.5	Low	69.8	Low	182 Å²	182	70.3 Å²	70.3	97%	0.973	40%	0.395	S	S	*	.	S	Bend	trans	-61.9	15.9	177.7	-70.9	-39.5	0	0	0	114.6
146	K	66.5	Low	69.1	Low	163 Å²	163	72.9 Å²	72.9	71%	0.709	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-84.2	129.7	177.5	-71	-175.9	-179.2	175	0	109.9	D144	D144-K146 PolarHBondContact O-N 2.71Å
147	P	70.5	Confident	69.2	Low	71 Å²	71	69 Å²	69	46%	0.461	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64.6	145.4	173.9	30.4	-35.5	0	0	0	109.9	E149 I230	P147-E149 PolarHBondContact O-N 3.48Å; P147-I230 HydrophobicContact CB-CG2 3.6Å; P147-I230 HydrophobicContact CG-CG2 3.99Å
148	L	75.7	Confident	69.9	Low	8 Å²	8	65.5 Å²	65.5	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.4	174.4	178.1	69	0	0	0	108.7	L142 F162 D164 I167 I231	L142-L148 HydrophobicContact CD1-CB 4.39Å; L148-F162 HydrophobicContact CD1-CB 4.43Å; L148-F162 HydrophobicContact CD1-CD1 3.99Å; L148-F162 HydrophobicContact CD2-CD1 3.99Å; L148-F162 HydrophobicContact CD2-CE1 3.98Å; L148-F162 HydrophobicContact CG-CD1 4.04Å; L148-F162 HydrophobicContact CG-CE1 4.46Å; L148-D164 HydrophobicContact CD1-CB 3.97Å; L148-I167 HydrophobicContact CD1-CD1 3.98Å; L148-I167 HydrophobicContact CD2-CD1 3.35Å; L148-I167 HydrophobicContact CG-CD1 4.29Å; L148-I231 HydrophobicContact CB-CB 4.27Å; L148-I231 HydrophobicContact CD2-CB 4.38Å; L148-I231 HydrophobicContact CD2-CD1 3.77Å; L148-I231 HydrophobicContact CG-CD1 4.17Å; L148-I231 PolarHBondContact O-N 3.18Å
149	E	78.9	Confident	70.6	Confident	51 Å²	51	65.8 Å²	65.8	24%	0.238	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.9	-179.1	-176.7	174.2	-158.3	0	0	110	P147 I151 S163 R228 Y229	P147-E149 PolarHBondContact O-N 3.48Å; E149-I151 HydrophobicContact CG-CG1 4.14Å; E149-S163 PolarHBondContact N-OG 2.97Å; E149-S163 WeakPolarHBondContact O-CB 3.24Å; E149-S163 PolarHBondContact O-N 3.24Å; E149-S163 PolarHBondContact O-OG 2.83Å; E149-R228 WeakPolarHBondContact OE1-CD 3.49Å; E149-Y229 WeakPolarHBondContact CA-O 3.34Å
150	F	81.2	Confident	71.6	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.013	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.3	170.8	-158.8	-112.6	0	0	0	109.3	L80 F84 I111 C160 K161 F162 F202 Y229	L80-F150 HydrophobicContact CD1-CD1 3.65Å; L80-F150 HydrophobicContact CD1-CD2 4.28Å; L80-F150 HydrophobicContact CD1-CE1 3.27Å; L80-F150 HydrophobicContact CD1-CE2 4.01Å; L80-F150 HydrophobicContact CD1-CG 4.14Å; L80-F150 HydrophobicContact CD1-CZ 3.52Å; L80-F150 HydrophobicContact CD2-CB 4.45Å; L80-F150 HydrophobicContact CD2-CD1 4.3Å; L80-F150 HydrophobicContact CD2-CD2 4.01Å; L80-F150 HydrophobicContact CD2-CE2 4.34Å; L80-F150 HydrophobicContact CD2-CG 4.01Å; F84-F150 HydrophobicContact CD2-CD1 4.12Å; F84-F150 HydrophobicContact CE1-CD1 4.42Å; F84-F150 HydrophobicContact CE1-CE1 4.08Å; F84-F150 AromaticContact CE2-CD1 3.5Å; F84-F150 HydrophobicContact CE2-CD1 3.5Å; F84-F150 VanDerWaalsContact CE2-CD1 3.5Å; F84-F150 AromaticContact CE2-CE1 3.68Å; F84-F150 HydrophobicContact CE2-CE1 3.68Å; F84-F150 AromaticContact CZ-CD1 3.68Å; F84-F150 HydrophobicContact CZ-CD1 3.68Å; F84-F150 AromaticContact CZ-CE1 3.35Å; F84-F150 HydrophobicContact CZ-CE1 3.35Å; I111-F150 HydrophobicContact CD1-CE2 3.87Å; I111-F150 HydrophobicContact CD1-CZ 4.11Å; I111-F150 HydrophobicContact CG1-CZ 4.45Å; F150-C160 HydrophobicContact CD1-CB 4.24Å; F150-C160 HydrophobicContact CE1-CB 3.29Å; F150-C160 HydrophobicContact CZ-CB 3.59Å; F150-K161 CarbonylContact C-O 3.58Å; F150-K161 VanDerWaalsContact CD2-C 3.44Å; F150-K161 WeakPolarHBondContact CD2-O 3.35Å; F150-F162 HydrophobicContact CD2-CB 4.42Å; F150-F162 AromaticContact CD2-CD1 3.51Å; F150-F162 HydrophobicContact CD2-CD1 3.51Å; F150-F162 HydrophobicContact CD2-CD2 4.23Å; F150-F162 AromaticContact CD2-CE1 3.71Å; F150-F162 HydrophobicContact CD2-CE1 3.71Å; F150-F162 HydrophobicContact CD2-CE2 4.46Å; F150-F162 AromaticContact CD2-CG 3.78Å; F150-F162 HydrophobicContact CD2-CG 3.78Å; F150-F162 HydrophobicContact CD2-CZ 4.2Å; F150-F162 HydrophobicContact CE2-CD1 4.15Å; F150-F162 HydrophobicContact CE2-CD2 4.05Å; F150-F162 HydrophobicContact CE2-CE1 4.25Å; F150-F162 HydrophobicContact CE2-CE2 4.21Å; F150-F162 HydrophobicContact CE2-CG 4.03Å; F150-F162 HydrophobicContact CE2-CZ 4.28Å; F150-F202 AromaticContact CE1-CE1 3.69Å; F150-F202 HydrophobicContact CE1-CE1 3.69Å; F150-F202 HydrophobicContact CE1-CZ 4.43Å; F150-F202 AromaticContact CZ-CD1 3.97Å; F150-F202 HydrophobicContact CZ-CD1 3.97Å; F150-F202 AromaticContact CZ-CE1 3.55Å; F150-F202 HydrophobicContact CZ-CE1 3.55Å; F150-Y229 PolarHBondContact N-O 3.09Å
151	I	81.6	Confident	72.8	Confident	64 Å²	64	64.4 Å²	64.4	33%	0.328	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.6	-170.2	-57	174.4	0	0	0	109.2	E149 C160 K161	E149-I151 HydrophobicContact CG-CG1 4.14Å; I151-C160 CarbonylContact O-C 3.45Å; I151-C160 WeakPolarHBondContact O-CA 3.43Å; I151-K161 HydrophobicContact CB-CG 4.44Å; I151-K161 PolarHBondContact N-O 2.93Å; I151-K161 PolarHBondContact O-N 3.27Å
152	V	82.9	Confident	74.3	Confident	31 Å²	31	58.6 Å²	58.6	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.6	167.8	-174.3	0	0	0	0	108.5	T154 V158 L225 Y229	V152-T154 HydrophobicContact CG1-CG2 3.89Å; V152-V158 HydrophobicContact CG1-CG1 3.76Å; V152-L225 HydrophobicContact CG1-CD1 3.86Å; V152-L225 HydrophobicContact CG2-CB 4.5Å; V152-Y229 HydrophobicContact CG2-CE2 4.13Å
153	D	80.3	Confident	75.5	Confident	47 Å²	47	59.9 Å²	59.9	25%	0.251	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.9	173.5	-163.7	-16.2	0	0	0	109.2	V158 V159 K161	D153-V158 CarbonylContact O-C 3.49Å; D153-V158 VanDerWaalsContact O-CA 3.29Å; D153-V158 WeakPolarHBondContact O-CA 3.46Å; D153-V159 HydrophobicContact CB-CB 4.37Å; D153-V159 WeakPolarHBondContact CB-O 3.29Å; D153-V159 PolarHBondContact N-O 2.91Å; D153-V159 PolarHBondContact O-N 2.57Å; D153-K161 IonicContact OD2-NZ 2.82Å; D153-K161 PolarHBondContact OD2-NZ 3.1Å
154	T	74.5	Confident	77	Confident	48 Å²	48	56.6 Å²	56.6	29%	0.294	31%	0.306	S	S	.	.			trans	-134.1	19.1	-167.7	57.9	0	0	0	0	114.2	V152 V158 N221	V152-T154 HydrophobicContact CG1-CG2 3.89Å; T154-V158 HydrophobicContact CG2-CG1 4.47Å; T154-V158 HydrophobicContact CG2-CG2 4.42Å; T154-N221 WeakPolarHBondContact CB-ND2 3.49Å; T154-N221 HydrophobicContact CG2-CB 4.37Å; T154-N221 WeakPolarHBondContact CG2-ND2 3.09Å
155	D	70.9	Confident	78.1	Confident	127 Å²	127	56.6 Å²	56.6	68%	0.679	31%	0.313	S	S	*	.	S	Bend	trans	-64.7	-86.8	-175.9	-75.2	-14.5	0	0	0	113.5
156	T	69.8	Low	78.9	Confident	99 Å²	99	52.2 Å²	52.2	61%	0.607	28%	0.283	S	S	*	.	S	Bend	trans	-94.3	-17.8	177.1	55.8	0	0	0	0	112.7	S207 I208	T156-S207 WeakPolarHBondContact O-CA 3.04Å; T156-I208 PolarHBondContact O-N 3.3Å
157	S	77.1	Confident	79.7	Confident	20 Å²	20	45 Å²	45	14%	0.14	25%	0.252	C	S	.	.	S	Bend	trans	-149.7	150.6	-168.7	-54.1	0	0	0	0	107	V205 S206	S157-V205 WeakPolarHBondContact CA-O 3.49Å; S157-V205 VanDerWaalsContact CB-O 3.23Å; S157-V205 WeakPolarHBondContact CB-O 3.41Å; S157-S206 PolarHBondContact OG-O 3.03Å
158	V	82.5	Confident	80.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.9	170.8	-177.2	0	0	0	0	108	F91 V152 D153 T154 L204 V205 L217 L225	F91-V158 HydrophobicContact CE1-CG1 4.31Å; F91-V158 HydrophobicContact CZ-CB 4.41Å; F91-V158 HydrophobicContact CZ-CG1 4.21Å; F91-V158 HydrophobicContact CZ-CG2 4.06Å; V152-V158 HydrophobicContact CG1-CG1 3.76Å; D153-V158 CarbonylContact O-C 3.49Å; D153-V158 VanDerWaalsContact O-CA 3.29Å; D153-V158 WeakPolarHBondContact O-CA 3.46Å; T154-V158 HydrophobicContact CG2-CG1 4.47Å; T154-V158 HydrophobicContact CG2-CG2 4.42Å; V158-L204 HydrophobicContact CB-CB 4.1Å; V158-L204 HydrophobicContact CG1-CB 3.96Å; V158-L204 HydrophobicContact CG1-CD1 3.88Å; V158-L204 HydrophobicContact CG1-CG 4.32Å; V158-L204 PolarHBondContact O-N 3.14Å; V158-V205 HydrophobicContact CB-CB 4.19Å; V158-V205 HydrophobicContact CB-CG2 4.25Å; V158-V205 HydrophobicContact CG2-CB 4.29Å; V158-V205 HydrophobicContact CG2-CG2 4.23Å; V158-V205 PolarHBondContact N-O 3.11Å; V158-V205 PolarHBondContact O-N 3.16Å; V158-L217 HydrophobicContact CG2-CD1 3.71Å; V158-L217 HydrophobicContact CG2-CD2 3.45Å; V158-L217 VanDerWaalsContact CG2-CD2 3.45Å; V158-L217 HydrophobicContact CG2-CG 3.99Å; V158-L225 HydrophobicContact CG1-CD1 4.13Å
159	V	84.3	Confident	80.7	Confident	25 Å²	25	47.9 Å²	47.9	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.2	-172.8	179.1	0	0	0	0	109.9	D153 P201 T203	D153-V159 HydrophobicContact CB-CB 4.37Å; D153-V159 WeakPolarHBondContact CB-O 3.29Å; D153-V159 PolarHBondContact N-O 2.91Å; D153-V159 PolarHBondContact O-N 2.57Å; V159-P201 HydrophobicContact CG1-CB 3.2Å; V159-P201 HydrophobicContact CG1-CG 4.44Å; V159-T203 HydrophobicContact CG2-CG2 4.41Å
160	C	84.6	Confident	81	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.5	179.6	-53.1	0	0	0	0	111.1	F84 F150 I151 P201 F202 L204	F84-C160 HydrophobicContact CZ-CB 4.41Å; F150-C160 HydrophobicContact CD1-CB 4.24Å; F150-C160 HydrophobicContact CE1-CB 3.29Å; F150-C160 HydrophobicContact CZ-CB 3.59Å; I151-C160 CarbonylContact O-C 3.45Å; I151-C160 WeakPolarHBondContact O-CA 3.43Å; C160-P201 WeakPolarHBondContact O-CA 3.49Å; C160-F202 HydrophobicContact CB-CD1 4.09Å; C160-F202 HydrophobicContact CB-CE1 3.73Å; C160-F202 HydrophobicContact CB-CZ 3.99Å; C160-F202 PolarHBondContact N-O 3.49Å; C160-F202 PolarHBondContact O-N 3.38Å; C160-F202 VanDerWaalsContact O-N 3.09Å; C160-L204 WeakPolarHBondContact SG-CD1 3.25Å
161	K	85.4	Confident	81.3	Confident	68 Å²	68	47.3 Å²	47.3	30%	0.296	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.6	-173	65.4	-168.1	-178.9	-164.5	0	112.7	F150 I151 D153 Y168 P201	F150-K161 CarbonylContact C-O 3.58Å; F150-K161 VanDerWaalsContact CD2-C 3.44Å; F150-K161 WeakPolarHBondContact CD2-O 3.35Å; I151-K161 HydrophobicContact CB-CG 4.44Å; I151-K161 PolarHBondContact N-O 2.93Å; I151-K161 PolarHBondContact O-N 3.27Å; D153-K161 IonicContact OD2-NZ 2.82Å; D153-K161 PolarHBondContact OD2-NZ 3.1Å; K161-Y168 WeakPolarHBondContact CA-OH 3.5Å; K161-Y168 WeakPolarHBondContact CB-OH 3.36Å; K161-P201 HydrophobicContact CB-CB 4.09Å; K161-P201 HydrophobicContact CB-CG 4.27Å
162	F	84.6	Confident	81.6	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	144.2	170.4	-70.4	-73.9	0	0	0	110.3	L78 L80 I111 L148 F150 D164 I167 Y168 L171 I231	L78-F162 HydrophobicContact CD2-CE2 4.14Å; L78-F162 HydrophobicContact CD2-CZ 4.03Å; L80-F162 HydrophobicContact CD2-CE1 3.83Å; L80-F162 HydrophobicContact CD2-CZ 3.85Å; I111-F162 HydrophobicContact CD1-CD2 4.07Å; I111-F162 HydrophobicContact CD1-CE2 3.26Å; I111-F162 HydrophobicContact CD1-CZ 3.73Å; L148-F162 HydrophobicContact CD1-CB 4.43Å; L148-F162 HydrophobicContact CD1-CD1 3.99Å; L148-F162 HydrophobicContact CD2-CD1 3.99Å; L148-F162 HydrophobicContact CD2-CE1 3.98Å; L148-F162 HydrophobicContact CG-CD1 4.04Å; L148-F162 HydrophobicContact CG-CE1 4.46Å; F150-F162 HydrophobicContact CD2-CB 4.42Å; F150-F162 AromaticContact CD2-CD1 3.51Å; F150-F162 HydrophobicContact CD2-CD1 3.51Å; F150-F162 HydrophobicContact CD2-CD2 4.23Å; F150-F162 AromaticContact CD2-CE1 3.71Å; F150-F162 HydrophobicContact CD2-CE1 3.71Å; F150-F162 HydrophobicContact CD2-CE2 4.46Å; F150-F162 AromaticContact CD2-CG 3.78Å; F150-F162 HydrophobicContact CD2-CG 3.78Å; F150-F162 HydrophobicContact CD2-CZ 4.2Å; F150-F162 HydrophobicContact CE2-CD1 4.15Å; F150-F162 HydrophobicContact CE2-CD2 4.05Å; F150-F162 HydrophobicContact CE2-CE1 4.25Å; F150-F162 HydrophobicContact CE2-CE2 4.21Å; F150-F162 HydrophobicContact CE2-CG 4.03Å; F150-F162 HydrophobicContact CE2-CZ 4.28Å; F162-D164 PolarHBondContact O-N 3.41Å; F162-I167 HydrophobicContact CB-CG2 3.69Å; F162-I167 HydrophobicContact CD1-CD1 3.9Å; F162-I167 HydrophobicContact CD2-CD1 4.1Å; F162-I167 HydrophobicContact CD2-CG2 3.35Å; F162-I167 HydrophobicContact CE1-CD1 3.88Å; F162-I167 HydrophobicContact CE2-CD1 4.02Å; F162-I167 HydrophobicContact CE2-CG2 4.04Å; F162-I167 HydrophobicContact CG-CD1 4.03Å; F162-I167 HydrophobicContact CG-CG2 3.63Å; F162-I167 HydrophobicContact CZ-CD1 3.94Å; F162-Y168 AromaticContact CD2-CE1 3.76Å; F162-Y168 HydrophobicContact CD2-CE1 3.76Å; F162-Y168 PolarHBondContact N-OH 2.95Å; F162-L171 HydrophobicContact CE2-CD1 4.45Å; F162-I231 HydrophobicContact CD1-CD1 4.41Å; F162-I231 HydrophobicContact CE1-CD1 3.71Å
163	S	81.7	Confident	81.8	Confident	59 Å²	59	50.5 Å²	50.5	41%	0.413	27%	0.273	S	S	.	.	S	Bend	trans	-66	-28	174.9	63.8	0	0	0	0	112.7	E149	E149-S163 PolarHBondContact N-OG 2.97Å; E149-S163 WeakPolarHBondContact O-CB 3.24Å; E149-S163 PolarHBondContact O-N 3.24Å; E149-S163 PolarHBondContact O-OG 2.83Å
164	D	82.6	Confident	82.2	Confident	28 Å²	28	49.2 Å²	49.2	15%	0.15	27%	0.266	C	S	.	.			trans	-106.1	116.1	179.8	-165.9	-30.8	0	0	0	112.1	L142 L148 F162 R166 I167	L142-D164 WeakPolarHBondContact CD2-OD2 3.37Å; L148-D164 HydrophobicContact CD1-CB 3.97Å; F162-D164 PolarHBondContact O-N 3.41Å; D164-R166 VanDerWaalsContact C-N 3.26Å; D164-R166 PolarHBondContact O-N 3.32Å; D164-R166 WeakPolarHBondContact OD1-CB 3.37Å; D164-R166 VanDerWaalsContact OD1-CG 3.23Å; D164-R166 WeakPolarHBondContact OD1-CG 3.38Å; D164-R166 PolarHBondContact OD1-N 3.49Å; D164-R166 IonicContact OD1-NE 2.76Å; D164-R166 PolarHBondContact OD1-NE 2.99Å; D164-R166 VanDerWaalsContact OD1-NE 3.1Å; D164-R166 IonicContact OD2-CZ 2.68Å; D164-R166 IonicContact OD2-NE 3.78Å; D164-R166 PolarHBondContact OD2-NE 2.61Å; D164-R166 IonicContact OD2-NH2 3.64Å; D164-R166 PolarHBondContact OD2-NH2 3.02Å; D164-I167 VanDerWaalsContact O-CG2 3.28Å; D164-I167 WeakPolarHBondContact O-CG2 3.44Å; D164-I167 PolarHBondContact O-N 3Å
165	S	81.6	Confident	83	Confident	86 Å²	86	47 Å²	47	60%	0.601	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.2	-179.7	63.3	0	0	0	0	114.2	I167 Y168	S165-I167 PolarHBondContact O-N 3.15Å; S165-Y168 WeakPolarHBondContact O-CB 3.47Å; S165-Y168 PolarHBondContact O-N 3.05Å; S165-Y168 VanDerWaalsContact O-N 3.14Å
166	R	80.7	Confident	84	Confident	90 Å²	90	45 Å²	45	34%	0.34	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-30	177.1	-64.7	178	-71.8	-168.7	-6	111.9	T143 D164 Y168 T169 L170	T143-R166 PolarHBondContact OG1-NH1 2.88Å; D164-R166 VanDerWaalsContact C-N 3.26Å; D164-R166 PolarHBondContact O-N 3.32Å; D164-R166 WeakPolarHBondContact OD1-CB 3.37Å; D164-R166 VanDerWaalsContact OD1-CG 3.23Å; D164-R166 WeakPolarHBondContact OD1-CG 3.38Å; D164-R166 PolarHBondContact OD1-N 3.49Å; D164-R166 IonicContact OD1-NE 2.76Å; D164-R166 PolarHBondContact OD1-NE 2.99Å; D164-R166 VanDerWaalsContact OD1-NE 3.1Å; D164-R166 IonicContact OD2-CZ 2.68Å; D164-R166 IonicContact OD2-NE 3.78Å; D164-R166 PolarHBondContact OD2-NE 2.61Å; D164-R166 IonicContact OD2-NH2 3.64Å; D164-R166 PolarHBondContact OD2-NH2 3.02Å; R166-Y168 PolarHBondContact O-N 3.04Å; R166-T169 WeakPolarHBondContact O-CB 3.43Å; R166-T169 PolarHBondContact O-N 3.48Å; R166-T169 VanDerWaalsContact O-N 3.15Å; R166-L170 PolarHBondContact O-N 2.86Å; R166-L170 VanDerWaalsContact O-N 3.12Å
167	I	81.8	Confident	85.1	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-34.7	178.9	-146.4	168.5	0	0	0	111.6	L148 F162 D164 S165 T169 L170 L171	L148-I167 HydrophobicContact CD1-CD1 3.98Å; L148-I167 HydrophobicContact CD2-CD1 3.35Å; L148-I167 HydrophobicContact CG-CD1 4.29Å; F162-I167 HydrophobicContact CB-CG2 3.69Å; F162-I167 HydrophobicContact CD1-CD1 3.9Å; F162-I167 HydrophobicContact CD2-CD1 4.1Å; F162-I167 HydrophobicContact CD2-CG2 3.35Å; F162-I167 HydrophobicContact CE1-CD1 3.88Å; F162-I167 HydrophobicContact CE2-CD1 4.02Å; F162-I167 HydrophobicContact CE2-CG2 4.04Å; F162-I167 HydrophobicContact CG-CD1 4.03Å; F162-I167 HydrophobicContact CG-CG2 3.63Å; F162-I167 HydrophobicContact CZ-CD1 3.94Å; D164-I167 VanDerWaalsContact O-CG2 3.28Å; D164-I167 WeakPolarHBondContact O-CG2 3.44Å; D164-I167 PolarHBondContact O-N 3Å; S165-I167 PolarHBondContact O-N 3.15Å; I167-T169 VanDerWaalsContact C-N 3.35Å; I167-T169 PolarHBondContact O-N 3.45Å; I167-L170 WeakPolarHBondContact O-CB 3.48Å; I167-L170 PolarHBondContact O-N 2.97Å; I167-L171 WeakPolarHBondContact O-CB 3.49Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 2.87Å; I167-L171 PolarHBondContact O-N 2.87Å
168	Y	84.2	Confident	85.9	Confident	34 Å²	34	42 Å²	42	13%	0.133	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-35	178.8	-61.5	-48.1	0	0	0	112.3	K161 F162 S165 R166 L170 L171 Q172 Y200	K161-Y168 WeakPolarHBondContact CA-OH 3.5Å; K161-Y168 WeakPolarHBondContact CB-OH 3.36Å; F162-Y168 AromaticContact CD2-CE1 3.76Å; F162-Y168 HydrophobicContact CD2-CE1 3.76Å; F162-Y168 PolarHBondContact N-OH 2.95Å; S165-Y168 WeakPolarHBondContact O-CB 3.47Å; S165-Y168 PolarHBondContact O-N 3.05Å; S165-Y168 VanDerWaalsContact O-N 3.14Å; R166-Y168 PolarHBondContact O-N 3.04Å; Y168-L170 VanDerWaalsContact C-N 3.33Å; Y168-L171 HydrophobicContact CD1-CD1 4.4Å; Y168-Q172 WeakPolarHBondContact O-CB 3.44Å; Y168-Q172 PolarHBondContact O-N 3.3Å; Y168-Y200 VanDerWaalsContact CB-CD2 3.46Å; Y168-Y200 HydrophobicContact CD1-CD1 4.28Å; Y168-Y200 AromaticContact CD1-CD2 3.39Å; Y168-Y200 HydrophobicContact CD1-CD2 3.39Å; Y168-Y200 HydrophobicContact CD1-CE2 4.29Å; Y168-Y200 AromaticContact CD1-CG 3.36Å; Y168-Y200 HydrophobicContact CD1-CG 3.36Å; Y168-Y200 HydrophobicContact CE1-CD2 4.28Å; Y168-Y200 AromaticContact CE1-CG 3.9Å; Y168-Y200 HydrophobicContact CE1-CG 3.9Å; Y168-Y200 AromaticContact CG-CD2 3.61Å; Y168-Y200 HydrophobicContact CG-CD2 3.61Å; Y168-Y200 HydrophobicContact CG-CE2 4.37Å; Y168-Y200 HydrophobicContact CG-CG 4.07Å; Y168-Y200 WeakPolarHBondContact O-CE2 3.4Å
169	T	83.8	Confident	86.5	Confident	106 Å²	106	43.7 Å²	43.7	65%	0.65	23%	0.228	S	C	*	.	H	α-helix	trans	-66.8	-38.7	173.4	-56.5	0	0	0	0	110.9	R166 I167 K173	R166-T169 WeakPolarHBondContact O-CB 3.43Å; R166-T169 PolarHBondContact O-N 3.48Å; R166-T169 VanDerWaalsContact O-N 3.15Å; I167-T169 VanDerWaalsContact C-N 3.35Å; I167-T169 PolarHBondContact O-N 3.45Å; T169-K173 PolarHBondContact O-N 2.95Å; T169-K173 VanDerWaalsContact O-N 3.1Å
170	L	84.2	Confident	87	Confident	40 Å²	40	47.7 Å²	47.7	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-48.3	175.3	174.7	64.2	0	0	0	112.2	I138 L140 R166 I167 Y168 Q172 K173 I174	I138-L170 HydrophobicContact CG2-CD1 3.76Å; I138-L170 HydrophobicContact CG2-CD2 3.75Å; I138-L170 HydrophobicContact CG2-CG 4.16Å; L140-L170 HydrophobicContact CD1-CD2 3.14Å; R166-L170 PolarHBondContact O-N 2.86Å; R166-L170 VanDerWaalsContact O-N 3.12Å; I167-L170 WeakPolarHBondContact O-CB 3.48Å; I167-L170 PolarHBondContact O-N 2.97Å; Y168-L170 VanDerWaalsContact C-N 3.33Å; L170-Q172 VanDerWaalsContact C-N 3.26Å; L170-Q172 PolarHBondContact O-N 2.83Å; L170-K173 PolarHBondContact O-N 3.11Å; L170-K173 VanDerWaalsContact O-N 3.13Å; L170-I174 HydrophobicContact CD1-CD1 4Å; L170-I174 HydrophobicContact CD1-CG1 4.24Å; L170-I174 HydrophobicContact CG-CD1 3.8Å; L170-I174 HydrophobicContact CG-CG1 4.47Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.46Å
171	L	87.3	Confident	87.5	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-41.2	177.7	-70.2	174.1	0	0	0	111.1	L78 L113 F162 I167 Y168 I174 S175 Y200 F244	L78-L171 HydrophobicContact CD2-CD1 4.13Å; L78-L171 HydrophobicContact CD2-CD2 4.06Å; L113-L171 HydrophobicContact CD1-CD2 4.38Å; L113-L171 HydrophobicContact CD2-CB 4.05Å; L113-L171 HydrophobicContact CD2-CD1 4.08Å; L113-L171 HydrophobicContact CD2-CD2 4.13Å; L113-L171 HydrophobicContact CD2-CG 4.3Å; F162-L171 HydrophobicContact CE2-CD1 4.45Å; I167-L171 WeakPolarHBondContact O-CB 3.49Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 2.87Å; I167-L171 PolarHBondContact O-N 2.87Å; Y168-L171 HydrophobicContact CD1-CD1 4.4Å; L171-I174 PolarHBondContact O-N 3.08Å; L171-S175 PolarHBondContact O-N 3.24Å; L171-S175 PolarHBondContact O-OG 3.4Å; L171-Y200 HydrophobicContact CB-CE1 4.36Å; L171-F244 HydrophobicContact CD2-CE1 3.97Å; L171-F244 HydrophobicContact CD2-CZ 4.26Å
172	Q	88	Confident	88	Confident	21 Å²	21	46.6 Å²	46.6	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-49.4	173.3	-178.2	60.9	14.9	0	0	112.1	Y168 L170 I174 S175 E176 N194 Y200	Y168-Q172 WeakPolarHBondContact O-CB 3.44Å; Y168-Q172 PolarHBondContact O-N 3.3Å; L170-Q172 VanDerWaalsContact C-N 3.26Å; L170-Q172 PolarHBondContact O-N 2.83Å; Q172-I174 VanDerWaalsContact C-N 3.29Å; Q172-I174 PolarHBondContact O-N 3.42Å; Q172-S175 WeakPolarHBondContact O-CB 3.02Å; Q172-S175 PolarHBondContact O-N 2.7Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.19Å; Q172-E176 PolarHBondContact NE2-OE1 2.86Å; Q172-E176 WeakPolarHBondContact O-CG 3.29Å; Q172-E176 PolarHBondContact O-N 3.38Å; Q172-N194 PolarHBondContact OE1-OD1 3.39Å; Q172-Y200 VanDerWaalsContact CA-OH 3.31Å; Q172-Y200 WeakPolarHBondContact CA-OH 3.45Å; Q172-Y200 WeakPolarHBondContact CB-OH 3.36Å; Q172-Y200 PolarHBondContact N-OH 2.68Å; Q172-Y200 PolarHBondContact OE1-OH 2.88Å
173	K	88	Confident	88.5	Confident	140 Å²	140	54.7 Å²	54.7	61%	0.609	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-37.9	179.6	-175.2	176.4	-179.4	177.9	0	112.1	T169 L170 T177	T169-K173 PolarHBondContact O-N 2.95Å; T169-K173 VanDerWaalsContact O-N 3.1Å; L170-K173 PolarHBondContact O-N 3.11Å; L170-K173 VanDerWaalsContact O-N 3.13Å; K173-T177 WeakPolarHBondContact O-CB 3.25Å; K173-T177 PolarHBondContact O-N 2.84Å; K173-T177 PolarHBondContact O-OG1 3.49Å
174	I	89.2	Confident	89.1	Confident	21 Å²	21	57.9 Å²	57.9	11%	0.108	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-47.3	176.2	-66.7	161.7	0	0	0	110.2	F134 I138 L170 L171 Q172 E176 T177 F178 F244	F134-I174 HydrophobicContact CD1-CG2 3.78Å; F134-I174 HydrophobicContact CE1-CG2 3.34Å; F134-I174 HydrophobicContact CZ-CG2 4.08Å; I138-I174 HydrophobicContact CD1-CD1 3.51Å; I138-I174 HydrophobicContact CD1-CG1 4.22Å; I138-I174 HydrophobicContact CG1-CD1 4.24Å; I138-I174 HydrophobicContact CG2-CD1 4.19Å; L170-I174 HydrophobicContact CD1-CD1 4Å; L170-I174 HydrophobicContact CD1-CG1 4.24Å; L170-I174 HydrophobicContact CG-CD1 3.8Å; L170-I174 HydrophobicContact CG-CG1 4.47Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.46Å; L171-I174 PolarHBondContact O-N 3.08Å; Q172-I174 VanDerWaalsContact C-N 3.29Å; Q172-I174 PolarHBondContact O-N 3.42Å; I174-E176 PolarHBondContact O-N 3Å; I174-T177 PolarHBondContact O-N 2.92Å; I174-F178 WeakPolarHBondContact O-CB 3.38Å; I174-F178 PolarHBondContact O-N 2.95Å; I174-F244 HydrophobicContact CD1-CZ 4.29Å
175	S	91.5	Very high	89.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-46.6	176.5	-69.4	0	0	0	0	112	L171 Q172 F178 L179	L171-S175 PolarHBondContact O-N 3.24Å; L171-S175 PolarHBondContact O-OG 3.4Å; Q172-S175 WeakPolarHBondContact O-CB 3.02Å; Q172-S175 PolarHBondContact O-N 2.7Å; S175-F178 PolarHBondContact O-N 3.23Å; S175-L179 WeakPolarHBondContact O-CG 3.06Å; S175-L179 PolarHBondContact O-N 3.02Å
176	E	91.9	Very high	90.2	Very high	87 Å²	87	59.4 Å²	59.4	41%	0.407	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-45.5	176.7	-72	169.3	178.4	0	0	111.8	Q172 I174 F178 L179 E180	Q172-E176 WeakPolarHBondContact CG-OE1 3.19Å; Q172-E176 PolarHBondContact NE2-OE1 2.86Å; Q172-E176 WeakPolarHBondContact O-CG 3.29Å; Q172-E176 PolarHBondContact O-N 3.38Å; I174-E176 PolarHBondContact O-N 3Å; E176-F178 VanDerWaalsContact C-N 3.29Å; E176-F178 PolarHBondContact O-N 3.44Å; E176-L179 PolarHBondContact O-N 3.07Å; E176-E180 PolarHBondContact O-N 3.15Å
177	T	91.8	Very high	90.9	Very high	54 Å²	54	55.4 Å²	55.4	33%	0.331	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-38.9	176.8	-57.5	0	0	0	0	111.7	K173 I174 K181	K173-T177 WeakPolarHBondContact O-CB 3.25Å; K173-T177 PolarHBondContact O-N 2.84Å; K173-T177 PolarHBondContact O-OG1 3.49Å; I174-T177 PolarHBondContact O-N 2.92Å; T177-K181 HydrophobicContact CG2-CD 4.47Å; T177-K181 WeakPolarHBondContact O-CG 3.26Å; T177-K181 PolarHBondContact O-N 3.21Å; T177-K181 VanDerWaalsContact O-N 3.08Å
178	F	94.3	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-45	176.7	173.5	-122.5	0	0	0	111.7	V76 L114 L116 L126 V129 F130 F134 I174 S175 E176 E180 K181 L182	V76-F178 HydrophobicContact CG2-CE1 4.1Å; L114-F178 HydrophobicContact CD1-CD1 3.59Å; L114-F178 HydrophobicContact CD1-CE1 4.12Å; L116-F178 HydrophobicContact CD1-CE1 3.97Å; L126-F178 HydrophobicContact CD1-CZ 3.9Å; V129-F178 HydrophobicContact CB-CE2 4.28Å; V129-F178 HydrophobicContact CG1-CD2 4.04Å; V129-F178 HydrophobicContact CG1-CE2 3.83Å; F130-F178 HydrophobicContact CB-CE2 3.98Å; F130-F178 HydrophobicContact CB-CZ 4.06Å; F130-F178 HydrophobicContact CD2-CZ 4.23Å; F134-F178 HydrophobicContact CD2-CD2 4.45Å; F134-F178 HydrophobicContact CE2-CB 4.04Å; F134-F178 AromaticContact CE2-CD1 3.84Å; F134-F178 HydrophobicContact CE2-CD1 3.84Å; F134-F178 AromaticContact CE2-CD2 3.82Å; F134-F178 HydrophobicContact CE2-CD2 3.82Å; F134-F178 HydrophobicContact CE2-CE1 4.19Å; F134-F178 HydrophobicContact CE2-CE2 4.2Å; F134-F178 AromaticContact CE2-CG 3.62Å; F134-F178 HydrophobicContact CE2-CG 3.62Å; F134-F178 HydrophobicContact CE2-CZ 4.36Å; F134-F178 HydrophobicContact CZ-CB 4.17Å; F134-F178 HydrophobicContact CZ-CD1 4.19Å; F134-F178 HydrophobicContact CZ-CG 4.12Å; I174-F178 WeakPolarHBondContact O-CB 3.38Å; I174-F178 PolarHBondContact O-N 2.95Å; S175-F178 PolarHBondContact O-N 3.23Å; E176-F178 VanDerWaalsContact C-N 3.29Å; E176-F178 PolarHBondContact O-N 3.44Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 2.93Å; F178-K181 PolarHBondContact O-N 3.49Å; F178-L182 HydrophobicContact CD1-CD1 4.12Å; F178-L182 HydrophobicContact CD2-CD1 4.46Å; F178-L182 HydrophobicContact CD2-CG 4.32Å; F178-L182 HydrophobicContact CE1-CD1 3.68Å; F178-L182 HydrophobicContact CE1-CG 4.48Å; F178-L182 HydrophobicContact CE2-CD1 4.02Å; F178-L182 HydrophobicContact CE2-CD2 4.03Å; F178-L182 HydrophobicContact CE2-CG 3.94Å; F178-L182 HydrophobicContact CZ-CD1 3.64Å; F178-L182 HydrophobicContact CZ-CD2 4.13Å; F178-L182 HydrophobicContact CZ-CG 4.05Å; F178-L182 WeakPolarHBondContact O-CG 3.42Å; F178-L182 PolarHBondContact O-N 3.45Å
179	L	95	Very high	92	Very high	35 Å²	35	60.1 Å²	60.1	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-40.6	175.9	-67.9	174.6	0	0	0	112.2	L114 L116 S175 E176 K181 L182 K183 V191	L114-L179 HydrophobicContact CD1-CD2 4.24Å; L114-L179 HydrophobicContact CD1-CG 4.25Å; L114-L179 HydrophobicContact CD2-CD1 4.09Å; L114-L179 HydrophobicContact CD2-CG 4.48Å; L116-L179 HydrophobicContact CD2-CD2 3.95Å; S175-L179 WeakPolarHBondContact O-CG 3.06Å; S175-L179 PolarHBondContact O-N 3.02Å; E176-L179 PolarHBondContact O-N 3.07Å; L179-K181 PolarHBondContact O-N 3.46Å; L179-L182 HydrophobicContact CD2-CD1 4.36Å; L179-L182 PolarHBondContact O-N 3.04Å; L179-K183 PolarHBondContact O-N 3.08Å; L179-V191 HydrophobicContact CD1-CG2 4.27Å; L179-V191 HydrophobicContact CD2-CG2 3.76Å
180	E	94.3	Very high	92.6	Very high	110 Å²	110	58 Å²	58	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-41.3	174.1	-74.1	-175.2	-171.9	0	0	112.6	E176 F178 K183 K184	E176-E180 PolarHBondContact O-N 3.15Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 2.93Å; E180-K183 PolarHBondContact O-N 3.33Å; E180-K184 WeakPolarHBondContact O-CG 3.3Å; E180-K184 PolarHBondContact O-N 2.9Å; E180-K184 IonicContact OE2-NZ 3.46Å
181	K	95.1	Very high	93	Very high	44 Å²	44	59.2 Å²	59.2	19%	0.191	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-38	177.2	-75.5	176.6	176.7	179.7	0	111.9	L12 V129 S133 T177 F178 L179 K184 A185	L12-K181 HydrophobicContact CD2-CB 4.06Å; L12-K181 HydrophobicContact CD2-CG 3.92Å; V129-K181 HydrophobicContact CG1-CB 3.84Å; S133-K181 WeakPolarHBondContact OG-CD 3.34Å; T177-K181 HydrophobicContact CG2-CD 4.47Å; T177-K181 WeakPolarHBondContact O-CG 3.26Å; T177-K181 PolarHBondContact O-N 3.21Å; T177-K181 VanDerWaalsContact O-N 3.08Å; F178-K181 PolarHBondContact O-N 3.49Å; L179-K181 PolarHBondContact O-N 3.46Å; K181-K184 PolarHBondContact O-N 2.87Å; K181-A185 VanDerWaalsContact O-CB 3.3Å; K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 3Å
182	L	96.3	Very high	93.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-47.7	173.6	-71.8	171.5	0	0	0	111.3	L116 L126 V129 F178 L179 K184 A185 D186 V187 V189	L116-L182 HydrophobicContact CD1-CD1 4.23Å; L126-L182 HydrophobicContact CD1-CD1 3.92Å; L126-L182 HydrophobicContact CD1-CD2 3.71Å; L126-L182 HydrophobicContact CD1-CG 4.49Å; V129-L182 HydrophobicContact CB-CD2 3.73Å; V129-L182 HydrophobicContact CG1-CD2 3.74Å; V129-L182 HydrophobicContact CG1-CG 4.06Å; V129-L182 HydrophobicContact CG2-CD2 4.1Å; F178-L182 HydrophobicContact CD1-CD1 4.12Å; F178-L182 HydrophobicContact CD2-CD1 4.46Å; F178-L182 HydrophobicContact CD2-CG 4.32Å; F178-L182 HydrophobicContact CE1-CD1 3.68Å; F178-L182 HydrophobicContact CE1-CG 4.48Å; F178-L182 HydrophobicContact CE2-CD1 4.02Å; F178-L182 HydrophobicContact CE2-CD2 4.03Å; F178-L182 HydrophobicContact CE2-CG 3.94Å; F178-L182 HydrophobicContact CZ-CD1 3.64Å; F178-L182 HydrophobicContact CZ-CD2 4.13Å; F178-L182 HydrophobicContact CZ-CG 4.05Å; F178-L182 WeakPolarHBondContact O-CG 3.42Å; F178-L182 PolarHBondContact O-N 3.45Å; L179-L182 HydrophobicContact CD2-CD1 4.36Å; L179-L182 PolarHBondContact O-N 3.04Å; L182-K184 VanDerWaalsContact C-N 3.35Å; L182-K184 PolarHBondContact O-N 3.32Å; L182-A185 CarbonylContact O-C 3.57Å; L182-A185 PolarHBondContact O-N 2.8Å; L182-A185 VanDerWaalsContact O-N 3.15Å; L182-D186 PolarHBondContact O-N 2.82Å; L182-V187 HydrophobicContact CB-CB 4.41Å; L182-V187 HydrophobicContact CD2-CB 3.97Å; L182-V187 HydrophobicContact CD2-CG1 4.05Å; L182-V187 HydrophobicContact CD2-CG2 4.21Å; L182-V187 PolarHBondContact O-N 3.14Å; L182-V189 HydrophobicContact CD1-CG1 4.19Å; L182-V189 HydrophobicContact CD1-CG2 4.22Å
183	K	94.8	Very high	93.1	Very high	178 Å²	178	63.4 Å²	63.4	77%	0.774	33%	0.328	S	S	*	.	H	α-helix	trans	-60.4	-42.4	176.7	-174.2	177.7	-179.9	178.7	0	112.3	L179 E180 A185 D186	L179-K183 PolarHBondContact O-N 3.08Å; E180-K183 PolarHBondContact O-N 3.33Å; K183-A185 VanDerWaalsContact C-N 3.27Å; K183-A185 PolarHBondContact O-N 2.76Å; K183-D186 PolarHBondContact O-N 3.29Å
184	K	95	Very high	92.9	Very high	127 Å²	127	59.5 Å²	59.5	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-68.4	-26	177.6	-72.1	171	-179.1	165.3	0	113.2	L12 E180 K181 L182 D186	L12-K184 HydrophobicContact CD1-CB 3.6Å; L12-K184 HydrophobicContact CD2-CB 4.42Å; E180-K184 WeakPolarHBondContact O-CG 3.3Å; E180-K184 PolarHBondContact O-N 2.9Å; E180-K184 IonicContact OE2-NZ 3.46Å; K181-K184 PolarHBondContact O-N 2.87Å; L182-K184 VanDerWaalsContact C-N 3.35Å; L182-K184 PolarHBondContact O-N 3.32Å; K184-D186 VanDerWaalsContact C-N 3.3Å
185	A	94	Very high	92	Very high	17 Å²	17	59.9 Å²	59.9	14%	0.14	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9.4	176.8	0	0	0	0	0	113.1	L12 L13 V129 K181 L182 K183 V187	L12-A185 HydrophobicContact CB-CB 4.15Å; L12-A185 HydrophobicContact CD1-CB 4.37Å; L13-A185 HydrophobicContact CD2-CB 4.42Å; V129-A185 HydrophobicContact CG2-CB 3.88Å; K181-A185 VanDerWaalsContact O-CB 3.3Å; K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 3Å; L182-A185 CarbonylContact O-C 3.57Å; L182-A185 PolarHBondContact O-N 2.8Å; L182-A185 VanDerWaalsContact O-N 3.15Å; K183-A185 VanDerWaalsContact C-N 3.27Å; K183-A185 PolarHBondContact O-N 2.76Å; A185-V187 HydrophobicContact CB-CG2 4.07Å; A185-V187 PolarHBondContact O-N 3.48Å
186	D	93.5	Very high	90.4	Very high	128 Å²	128	61 Å²	61	68%	0.684	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	31.3	-178.8	-158.4	36.8	0	0	0	114.3	L182 K183 K184	L182-D186 PolarHBondContact O-N 2.82Å; K183-D186 PolarHBondContact O-N 3.29Å; K184-D186 VanDerWaalsContact C-N 3.3Å
187	V	95.1	Very high	88.5	Confident	6 Å²	6	65.7 Å²	65.7	4%	0.036	35%	0.347	C	S	.	.			trans	-88.5	110.9	176.4	-172.6	0	0	0	0	109.1	D122 H125 L126 V129 L182 A185 V189	D122-V187 HydrophobicContact CB-CG1 4.02Å; H125-V187 HydrophobicContact CB-CG1 4.47Å; H125-V187 HydrophobicContact CB-CG2 3.64Å; L126-V187 HydrophobicContact CB-CG1 4.3Å; V129-V187 HydrophobicContact CG2-CG2 4.34Å; L182-V187 HydrophobicContact CB-CB 4.41Å; L182-V187 HydrophobicContact CD2-CB 3.97Å; L182-V187 HydrophobicContact CD2-CG1 4.05Å; L182-V187 HydrophobicContact CD2-CG2 4.21Å; L182-V187 PolarHBondContact O-N 3.14Å; A185-V187 HydrophobicContact CB-CG2 4.07Å; A185-V187 PolarHBondContact O-N 3.48Å; V187-V189 HydrophobicContact CG1-CG1 3.98Å; V187-V189 PolarHBondContact O-N 2.88Å
188	N	93.2	Very high	86.5	Confident	102 Å²	102	70.2 Å²	70.2	55%	0.545	37%	0.369	S	S	.	.			trans	-73.6	113.6	-179.7	-69.1	-59.6	0	0	0	111.1
189	V	95.6	Very high	84.7	Confident	43 Å²	43	75.7 Å²	75.7	26%	0.261	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.8	178.8	-55.3	0	0	0	0	110.9	V118 L126 L182 V187	V118-V189 HydrophobicContact CG1-CG1 4.48Å; V118-V189 HydrophobicContact CG2-CB 4.12Å; V118-V189 HydrophobicContact CG2-CG1 3.66Å; L126-V189 HydrophobicContact CD1-CG1 4.4Å; L182-V189 HydrophobicContact CD1-CG1 4.19Å; L182-V189 HydrophobicContact CD1-CG2 4.22Å; V187-V189 HydrophobicContact CG1-CG1 3.98Å; V187-V189 PolarHBondContact O-N 2.88Å
190	C	95.4	Very high	83.3	Confident	62 Å²	62	74.3 Å²	74.3	42%	0.419	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121	165.8	175.2	0	0	0	0	108.6	L116 R117 V192	L116-C190 CarbonylContact C-O 3.56Å; L116-C190 WeakPolarHBondContact CA-O 3.41Å; R117-C190 HydrophobicContact CB-CB 4.18Å; R117-C190 PolarHBondContact N-O 3.48Å; R117-C190 PolarHBondContact O-N 3.15Å; C190-V192 PolarHBondContact O-N 2.91Å
191	V	93.8	Very high	82	Confident	64 Å²	64	71.4 Å²	71.4	39%	0.388	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	107.4	176.8	-176.9	0	0	0	0	108.1	L116 L179 N194	L116-V191 HydrophobicContact CD2-CB 4.4Å; L116-V191 HydrophobicContact CD2-CG1 4.39Å; L116-V191 HydrophobicContact CD2-CG2 3.94Å; L179-V191 HydrophobicContact CD1-CG2 4.27Å; L179-V191 HydrophobicContact CD2-CG2 3.76Å; V191-N194 HydrophobicContact CG1-CB 4.08Å
192	V	90.7	Very high	81.2	Confident	60 Å²	60	70 Å²	70	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-44.4	179.7	-177.3	0	0	0	0	110.3	H115 R117 C190	H115-V192 HydrophobicContact CB-CB 4.33Å; H115-V192 WeakPolarHBondContact ND1-CG1 3.29Å; H115-V192 PolarHBondContact O-N 2.74Å; R117-V192 HydrophobicContact CB-CG2 3.82Å; C190-V192 PolarHBondContact O-N 2.91Å
193	S	87.2	Confident	80.4	Confident	53 Å²	53	72.4 Å²	72.4	37%	0.371	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.8	170.9	70.3	0	0	0	0	112.2	H115	H115-S193 VanDerWaalsContact CB-OG 3.25Å; H115-S193 WeakPolarHBondContact CB-OG 3.25Å; H115-S193 PolarHBondContact N-O 3.19Å; H115-S193 PolarHBondContact O-N 2.46Å
194	N	84.1	Confident	79.7	Confident	57 Å²	57	64.1 Å²	64.1	31%	0.305	35%	0.354	S	S	.	.			trans	-136.7	95.7	171.4	-178.7	3.2	0	0	0	106.7	L114 Q172 V191 G196	L114-N194 HydrophobicContact CD2-CB 3.94Å; Q172-N194 PolarHBondContact OE1-OD1 3.39Å; V191-N194 HydrophobicContact CG1-CB 4.08Å; N194-G196 PolarHBondContact O-N 3.23Å
195	P	69.5	Low	78.7	Confident	30 Å²	30	59 Å²	59	20%	0.195	33%	0.333	C	S	.	.			trans	-64	6.8	-170.6	-22.7	34	0	0	0	116.2	L113 K197 L198 N199	L113-P195 VanDerWaalsContact O-CD 3.3Å; L113-P195 WeakPolarHBondContact O-CD 3.28Å; P195-K197 PolarHBondContact O-N 2.87Å; P195-L198 PolarHBondContact O-N 3.2Å; P195-N199 PolarHBondContact O-N 2.97Å
196	G	58.4	Low	77.5	Confident	22 Å²	22	59.9 Å²	59.9	23%	0.227	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-37.6	126.7	-175.8	0	0	0	0	0	115.1	N194 L198	N194-G196 PolarHBondContact O-N 3.23Å; G196-L198 PolarHBondContact O-N 2.87Å
197	K	52	Low	76.1	Confident	186 Å²	186	56.6 Å²	56.6	81%	0.809	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-18.7	174.2	-61.5	-178.3	178.2	177	0	118.8	P195	P195-K197 PolarHBondContact O-N 2.87Å
198	L	49.7	Very low	74.3	Confident	150 Å²	150	57.8 Å²	57.8	79%	0.785	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-29.3	-175.8	-86.6	139.6	0	0	0	116	P195 G196	P195-L198 PolarHBondContact O-N 3.2Å; G196-L198 PolarHBondContact O-N 2.87Å
199	N	56.3	Low	72.3	Confident	116 Å²	116	59.7 Å²	59.7	62%	0.62	34%	0.342	S	S	*	.			trans	-141.2	54.7	-166.1	-75.1	-25.1	0	0	0	114.7	P195	P195-N199 PolarHBondContact O-N 2.97Å
200	Y	64.7	Low	70.4	Confident	6 Å²	6	61.5 Å²	61.5	2%	0.024	35%	0.35	C	S	.	.			trans	-84	-21.7	166.9	-67.3	-69.8	0	0	0	116.4	I111 L113 Y168 L171 Q172 F202	I111-Y200 HydrophobicContact CG2-CD1 4.24Å; L113-Y200 HydrophobicContact CD2-CD1 4.42Å; L113-Y200 HydrophobicContact CD2-CE1 4.04Å; Y168-Y200 VanDerWaalsContact CB-CD2 3.46Å; Y168-Y200 HydrophobicContact CD1-CD1 4.28Å; Y168-Y200 AromaticContact CD1-CD2 3.39Å; Y168-Y200 HydrophobicContact CD1-CD2 3.39Å; Y168-Y200 HydrophobicContact CD1-CE2 4.29Å; Y168-Y200 AromaticContact CD1-CG 3.36Å; Y168-Y200 HydrophobicContact CD1-CG 3.36Å; Y168-Y200 HydrophobicContact CE1-CD2 4.28Å; Y168-Y200 AromaticContact CE1-CG 3.9Å; Y168-Y200 HydrophobicContact CE1-CG 3.9Å; Y168-Y200 AromaticContact CG-CD2 3.61Å; Y168-Y200 HydrophobicContact CG-CD2 3.61Å; Y168-Y200 HydrophobicContact CG-CE2 4.37Å; Y168-Y200 HydrophobicContact CG-CG 4.07Å; Y168-Y200 WeakPolarHBondContact O-CE2 3.4Å; L171-Y200 HydrophobicContact CB-CE1 4.36Å; Q172-Y200 VanDerWaalsContact CA-OH 3.31Å; Q172-Y200 WeakPolarHBondContact CA-OH 3.45Å; Q172-Y200 WeakPolarHBondContact CB-OH 3.36Å; Q172-Y200 PolarHBondContact N-OH 2.68Å; Q172-Y200 PolarHBondContact OE1-OH 2.88Å; Y200-F202 PolarHBondContact O-N 3.45Å
201	P	68.3	Low	68.3	Low	49 Å²	49	62.8 Å²	62.8	32%	0.318	37%	0.365	S	S	.	.	S	Bend	trans	-58.6	124.5	167.9	-19.4	31.5	0	0	0	108.5	V159 C160 K161	V159-P201 HydrophobicContact CG1-CB 3.2Å; V159-P201 HydrophobicContact CG1-CG 4.44Å; C160-P201 WeakPolarHBondContact O-CA 3.49Å; K161-P201 HydrophobicContact CB-CB 4.09Å; K161-P201 HydrophobicContact CB-CG 4.27Å
202	F	77.2	Confident	66.5	Low	14 Å²	14	67.8 Å²	67.8	6%	0.061	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.1	175.8	81.5	-91.6	0	0	0	108.6	L80 F84 A109 I111 F150 C160 Y200 L204	L80-F202 HydrophobicContact CD1-CE1 4.12Å; F84-F202 HydrophobicContact CE1-CE1 4.25Å; F84-F202 AromaticContact CE1-CZ 3.85Å; F84-F202 HydrophobicContact CE1-CZ 3.85Å; F84-F202 HydrophobicContact CZ-CE1 4.11Å; F84-F202 AromaticContact CZ-CZ 3.74Å; F84-F202 HydrophobicContact CZ-CZ 3.74Å; A109-F202 HydrophobicContact CB-CE2 4.09Å; A109-F202 HydrophobicContact CB-CZ 4.46Å; I111-F202 HydrophobicContact CG1-CD1 3.68Å; I111-F202 HydrophobicContact CG1-CE1 4.17Å; F150-F202 AromaticContact CE1-CE1 3.69Å; F150-F202 HydrophobicContact CE1-CE1 3.69Å; F150-F202 HydrophobicContact CE1-CZ 4.43Å; F150-F202 AromaticContact CZ-CD1 3.97Å; F150-F202 HydrophobicContact CZ-CD1 3.97Å; F150-F202 AromaticContact CZ-CE1 3.55Å; F150-F202 HydrophobicContact CZ-CE1 3.55Å; C160-F202 HydrophobicContact CB-CD1 4.09Å; C160-F202 HydrophobicContact CB-CE1 3.73Å; C160-F202 HydrophobicContact CB-CZ 3.99Å; C160-F202 PolarHBondContact N-O 3.49Å; C160-F202 PolarHBondContact O-N 3.38Å; C160-F202 VanDerWaalsContact O-N 3.09Å; Y200-F202 PolarHBondContact O-N 3.45Å; F202-L204 HydrophobicContact CD2-CD2 4.06Å; F202-L204 HydrophobicContact CE2-CD2 3.46Å; F202-L204 VanDerWaalsContact CE2-CD2 3.46Å; F202-L204 HydrophobicContact CE2-CG 4.24Å; F202-L204 HydrophobicContact CZ-CD2 4.4Å
203	T	80.1	Confident	65.2	Low	50 Å²	50	67.9 Å²	67.9	31%	0.307	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.9	-177.7	-59	0	0	0	0	108.5	V104 V159 V205	V104-T203 HydrophobicContact CG1-CG2 4.28Å; V104-T203 WeakPolarHBondContact CG1-O 3.48Å; V104-T203 HydrophobicContact CG2-CG2 4.18Å; V159-T203 HydrophobicContact CG2-CG2 4.41Å; T203-V205 VanDerWaalsContact CG2-O 3.23Å; T203-V205 WeakPolarHBondContact CG2-O 3.32Å
204	L	79.3	Confident	64.4	Low	4 Å²	4	68.4 Å²	68.4	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-31.3	168.4	-64	-178.6	0	0	0	111.3	V88 F91 L92 V158 C160 F202 L225	V88-L204 HydrophobicContact CG1-CD1 3.94Å; V88-L204 HydrophobicContact CG1-CD2 3.49Å; V88-L204 VanDerWaalsContact CG1-CD2 3.49Å; V88-L204 HydrophobicContact CG1-CG 4.41Å; V88-L204 HydrophobicContact CG2-CD1 4.37Å; F91-L204 HydrophobicContact CD1-CD1 3.93Å; F91-L204 HydrophobicContact CE1-CB 3.98Å; F91-L204 HydrophobicContact CE1-CD1 4.02Å; L92-L204 HydrophobicContact CD1-CD2 4.13Å; L92-L204 HydrophobicContact CD2-CB 4.18Å; L92-L204 HydrophobicContact CD2-CD2 4.05Å; L92-L204 HydrophobicContact CG-CD2 4.22Å; V158-L204 HydrophobicContact CB-CB 4.1Å; V158-L204 HydrophobicContact CG1-CB 3.96Å; V158-L204 HydrophobicContact CG1-CD1 3.88Å; V158-L204 HydrophobicContact CG1-CG 4.32Å; V158-L204 PolarHBondContact O-N 3.14Å; C160-L204 WeakPolarHBondContact SG-CD1 3.25Å; F202-L204 HydrophobicContact CD2-CD2 4.06Å; F202-L204 HydrophobicContact CE2-CD2 3.46Å; F202-L204 VanDerWaalsContact CE2-CD2 3.46Å; F202-L204 HydrophobicContact CE2-CG 4.24Å; F202-L204 HydrophobicContact CZ-CD2 4.4Å; L204-L225 HydrophobicContact CD1-CD1 4.11Å
205	V	75.2	Confident	64.2	Low	19 Å²	19	69 Å²	69	12%	0.115	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	121.5	177.3	179.9	0	0	0	0	109	F91 L99 S157 V158 T203 I208 L217	F91-V205 HydrophobicContact CE1-CG2 4.24Å; F91-V205 HydrophobicContact CZ-CG2 4.3Å; L99-V205 HydrophobicContact CD1-CG2 4.43Å; S157-V205 WeakPolarHBondContact CA-O 3.49Å; S157-V205 VanDerWaalsContact CB-O 3.23Å; S157-V205 WeakPolarHBondContact CB-O 3.41Å; V158-V205 HydrophobicContact CB-CB 4.19Å; V158-V205 HydrophobicContact CB-CG2 4.25Å; V158-V205 HydrophobicContact CG2-CB 4.29Å; V158-V205 HydrophobicContact CG2-CG2 4.23Å; V158-V205 PolarHBondContact N-O 3.11Å; V158-V205 PolarHBondContact O-N 3.16Å; T203-V205 VanDerWaalsContact CG2-O 3.23Å; T203-V205 WeakPolarHBondContact CG2-O 3.32Å; V205-I208 HydrophobicContact CG1-CG1 4.33Å; V205-L217 HydrophobicContact CG2-CD1 4.27Å
206	S	69.1	Low	64.7	Low	37 Å²	37	69.8 Å²	69.8	26%	0.259	39%	0.39	S	S	.	.			trans	-77.5	-33	-166.5	65.1	0	0	0	0	116.8	D102 S157	D102-S206 VanDerWaalsContact OD2-CB 3.29Å; D102-S206 WeakPolarHBondContact OD2-CB 3.44Å; D102-S206 PolarHBondContact OD2-N 3.14Å; D102-S206 PolarHBondContact OD2-OG 3.32Å; S157-S206 PolarHBondContact OG-O 3.03Å
207	S	64.1	Low	65.8	Low	59 Å²	59	68.8 Å²	68.8	41%	0.413	38%	0.379	S	S	.	.			trans	-169.2	137.5	170.2	-172.4	0	0	0	0	111	T156 N209	T156-S207 WeakPolarHBondContact O-CA 3.04Å; S207-N209 PolarHBondContact OG-OD1 3.26Å
208	I	56.4	Low	67.2	Low	30 Å²	30	63 Å²	63	15%	0.154	36%	0.357	C	S	.	.			trans	-101.2	81.5	169	-56.6	166.1	0	0	0	108.8	T156 V205 N210 K213 L217	T156-I208 PolarHBondContact O-N 3.3Å; V205-I208 HydrophobicContact CG1-CG1 4.33Å; I208-N210 WeakPolarHBondContact CG2-O 3.44Å; I208-N210 PolarHBondContact O-N 2.89Å; I208-K213 HydrophobicContact CG2-CB 3.79Å; I208-L217 HydrophobicContact CD1-CB 3.75Å; I208-L217 HydrophobicContact CD1-CD1 4.19Å; I208-L217 HydrophobicContact CD1-CD2 3.09Å; I208-L217 HydrophobicContact CD1-CG 3.8Å; I208-L217 HydrophobicContact CG1-CD2 4.45Å
209	N	52.1	Low	68.9	Low	143 Å²	143	60.3 Å²	60.3	77%	0.765	34%	0.34	S	S	*	.			trans	-69.5	-8.8	172.2	-72.5	-5.6	0	0	0	112.8	S207	S207-N209 PolarHBondContact OG-OD1 3.26Å
210	N	54.3	Low	70.4	Confident	80 Å²	80	55.4 Å²	55.4	43%	0.428	31%	0.314	S	S	.	.			trans	-105.9	109	-176.5	-69.1	-5.6	0	0	0	111	I208 E212 K213	I208-N210 WeakPolarHBondContact CG2-O 3.44Å; I208-N210 PolarHBondContact O-N 2.89Å; N210-E212 PolarHBondContact O-N 3.08Å; N210-K213 HydrophobicContact CB-CB 4.45Å; N210-K213 HydrophobicContact CB-CD 4.47Å; N210-K213 HydrophobicContact CB-CG 4.25Å; N210-K213 PolarHBondContact O-N 2.93Å
211	A	52	Low	71.3	Confident	89 Å²	89	55.8 Å²	55.8	74%	0.736	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-50.2	-31.3	174.1	0	0	0	0	0	113.2	K213 N214	A211-K213 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 2.69Å; A211-N214 PolarHBondContact O-N 3.43Å
212	E	56.6	Low	72.2	Confident	170 Å²	170	60.4 Å²	60.4	79%	0.794	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-65.4	-29.1	176.6	-67.5	-175.9	162.4	0	0	114.5	N210 P215	N210-E212 PolarHBondContact O-N 3.08Å; E212-P215 WeakPolarHBondContact O-CD 3.48Å
213	K	62.4	Low	72.7	Confident	62 Å²	62	65.2 Å²	65.2	27%	0.27	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-85.6	-17.3	-178.6	-72.6	-172.5	-179.1	-176.1	0	113.3	L99 I208 N210 A211 V216 L217	L99-K213 HydrophobicContact CD2-CB 4.15Å; L99-K213 HydrophobicContact CD2-CD 4.23Å; L99-K213 HydrophobicContact CD2-CG 4.34Å; L99-K213 PolarHBondContact O-NZ 3.47Å; I208-K213 HydrophobicContact CG2-CB 3.79Å; N210-K213 HydrophobicContact CB-CB 4.45Å; N210-K213 HydrophobicContact CB-CD 4.47Å; N210-K213 HydrophobicContact CB-CG 4.25Å; N210-K213 PolarHBondContact O-N 2.93Å; A211-K213 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 2.69Å; K213-V216 PolarHBondContact O-N 3.18Å; K213-L217 PolarHBondContact O-N 3.39Å
214	N	71	Confident	73.1	Confident	63 Å²	63	65.5 Å²	65.5	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-57.6	-47.4	-178.8	-163.1	-32.4	0	0	0	113.6	A211 V216 L217 N218	A211-N214 PolarHBondContact O-N 3.43Å; N214-V216 VanDerWaalsContact C-N 3.34Å; N214-V216 PolarHBondContact O-N 3.24Å; N214-L217 PolarHBondContact O-N 2.92Å; N214-N218 PolarHBondContact O-N 3.03Å; N214-N218 PolarHBondContact O-ND2 3.04Å; N214-N218 PolarHBondContact OD1-ND2 3.13Å
215	P	79.1	Confident	73.3	Confident	71 Å²	71	66 Å²	66	46%	0.461	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-37	178.7	23.5	-34.2	0	0	0	113.4	E212 N218 Q219	E212-P215 WeakPolarHBondContact O-CD 3.48Å; P215-N218 PolarHBondContact O-N 2.88Å; P215-Q219 WeakPolarHBondContact O-CG 3.41Å; P215-Q219 PolarHBondContact O-N 2.9Å; P215-Q219 VanDerWaalsContact O-N 3.14Å
216	V	80.1	Confident	73.3	Confident	46 Å²	46	69.5 Å²	69.5	28%	0.279	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-42.4	176.1	177.9	0	0	0	0	110.3	A98 L99 K213 N214 Q219 L220	A98-V216 HydrophobicContact CB-CG1 3.78Å; L99-V216 HydrophobicContact CD2-CB 4.45Å; L99-V216 HydrophobicContact CD2-CG1 4.17Å; K213-V216 PolarHBondContact O-N 3.18Å; N214-V216 VanDerWaalsContact C-N 3.34Å; N214-V216 PolarHBondContact O-N 3.24Å; V216-Q219 PolarHBondContact O-N 3.48Å; V216-L220 HydrophobicContact CG1-CD1 4.38Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 2.98Å; V216-L220 VanDerWaalsContact O-N 3.08Å
217	L	81.4	Confident	73.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-60.7	-46.3	175.4	-172.6	79.3	0	0	0	111.5	F91 L99 V158 V205 I208 K213 N214 Q219 L220 N221	F91-L217 HydrophobicContact CE2-CD1 4.45Å; F91-L217 HydrophobicContact CZ-CD1 4.04Å; L99-L217 HydrophobicContact CD1-CD1 3.61Å; V158-L217 HydrophobicContact CG2-CD1 3.71Å; V158-L217 HydrophobicContact CG2-CD2 3.45Å; V158-L217 VanDerWaalsContact CG2-CD2 3.45Å; V158-L217 HydrophobicContact CG2-CG 3.99Å; V205-L217 HydrophobicContact CG2-CD1 4.27Å; I208-L217 HydrophobicContact CD1-CB 3.75Å; I208-L217 HydrophobicContact CD1-CD1 4.19Å; I208-L217 HydrophobicContact CD1-CD2 3.09Å; I208-L217 HydrophobicContact CD1-CG 3.8Å; I208-L217 HydrophobicContact CG1-CD2 4.45Å; K213-L217 PolarHBondContact O-N 3.39Å; N214-L217 PolarHBondContact O-N 2.92Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; L217-Q219 PolarHBondContact O-N 3Å; L217-L220 WeakPolarHBondContact O-CB 3.4Å; L217-L220 PolarHBondContact O-N 3.1Å; L217-L220 VanDerWaalsContact O-N 3.07Å; L217-N221 VanDerWaalsContact O-CG 3.31Å; L217-N221 PolarHBondContact O-N 2.92Å; L217-N221 PolarHBondContact O-ND2 3.38Å
218	N	82.2	Confident	73.7	Confident	65 Å²	65	76.3 Å²	76.3	35%	0.348	40%	0.404	S	S	.	.	H	α-helix	trans	-59.5	-42.1	-179.1	-67.1	-25.3	0	0	0	111.7	N214 P215 L220 N221 E222	N214-N218 PolarHBondContact O-N 3.03Å; N214-N218 PolarHBondContact O-ND2 3.04Å; N214-N218 PolarHBondContact OD1-ND2 3.13Å; P215-N218 PolarHBondContact O-N 2.88Å; N218-L220 PolarHBondContact O-N 3.28Å; N218-N221 PolarHBondContact O-N 2.94Å; N218-E222 WeakPolarHBondContact O-CG 3.32Å; N218-E222 PolarHBondContact O-N 3.14Å
219	Q	85.9	Confident	74.9	Confident	94 Å²	94	76.1 Å²	76.1	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-42	174.1	-71.2	177.6	-1.6	0	0	112.5	P215 V216 L217 E222 M223	P215-Q219 WeakPolarHBondContact O-CG 3.41Å; P215-Q219 PolarHBondContact O-N 2.9Å; P215-Q219 VanDerWaalsContact O-N 3.14Å; V216-Q219 PolarHBondContact O-N 3.48Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; L217-Q219 PolarHBondContact O-N 3Å; Q219-E222 PolarHBondContact O-N 3.19Å; Q219-M223 WeakPolarHBondContact O-CB 3.19Å; Q219-M223 PolarHBondContact O-N 3.49Å
220	L	86.2	Confident	76	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-64.7	-41.4	176.3	-67.9	176.2	0	0	0	111.8	F91 A94 A95 A98 V216 L217 N218 M223 Y224	F91-L220 HydrophobicContact CD2-CB 4.16Å; F91-L220 HydrophobicContact CE2-CB 3.84Å; A94-L220 HydrophobicContact CB-CD2 3.65Å; A95-L220 HydrophobicContact CB-CD1 4.21Å; A98-L220 HydrophobicContact CB-CD1 4.07Å; V216-L220 HydrophobicContact CG1-CD1 4.38Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 2.98Å; V216-L220 VanDerWaalsContact O-N 3.08Å; L217-L220 WeakPolarHBondContact O-CB 3.4Å; L217-L220 PolarHBondContact O-N 3.1Å; L217-L220 VanDerWaalsContact O-N 3.07Å; N218-L220 PolarHBondContact O-N 3.28Å; L220-M223 PolarHBondContact O-N 2.87Å; L220-Y224 HydrophobicContact CD2-CD2 4.19Å; L220-Y224 HydrophobicContact CD2-CE2 3.78Å; L220-Y224 VanDerWaalsContact O-CD2 3.29Å; L220-Y224 WeakPolarHBondContact O-CD2 3.09Å; L220-Y224 PolarHBondContact O-N 2.68Å
221	N	84.8	Confident	76.8	Confident	14 Å²	14	69.9 Å²	69.9	8%	0.075	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-48	176.9	-69.2	-24.7	0	0	0	110.9	F91 T154 L217 N218 M223 L225 S226	F91-N221 WeakPolarHBondContact CE2-OD1 3.26Å; T154-N221 WeakPolarHBondContact CB-ND2 3.49Å; T154-N221 HydrophobicContact CG2-CB 4.37Å; T154-N221 WeakPolarHBondContact CG2-ND2 3.09Å; L217-N221 VanDerWaalsContact O-CG 3.31Å; L217-N221 PolarHBondContact O-N 2.92Å; L217-N221 PolarHBondContact O-ND2 3.38Å; N218-N221 PolarHBondContact O-N 2.94Å; N221-M223 VanDerWaalsContact C-N 3.3Å; N221-M223 PolarHBondContact O-N 3.33Å; N221-L225 CarbonylContact O-C 3.59Å; N221-L225 WeakPolarHBondContact O-CA 3.22Å; N221-L225 PolarHBondContact O-N 3.36Å; N221-S226 PolarHBondContact O-N 3.35Å
222	E	85.9	Confident	77.4	Confident	145 Å²	145	69.7 Å²	69.7	68%	0.678	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-37	176.6	-72.6	-178.6	171	0	0	112.2	N218 Q219 S226	N218-E222 WeakPolarHBondContact O-CG 3.32Å; N218-E222 PolarHBondContact O-N 3.14Å; Q219-E222 PolarHBondContact O-N 3.19Å; E222-S226 VanDerWaalsContact C-OG 3.3Å; E222-S226 WeakPolarHBondContact CA-OG 3.36Å; E222-S226 WeakPolarHBondContact O-CB 3.35Å; E222-S226 PolarHBondContact O-OG 2.99Å
223	M	88.2	Confident	77.4	Confident	115 Å²	115	64.4 Å²	64.4	57%	0.567	33%	0.329	S	S	*	.	H	α-helix	trans	-75.3	-36.7	-177.1	-174.6	173.2	168.6	0	0	113.2	Q219 L220 N221	Q219-M223 WeakPolarHBondContact O-CB 3.19Å; Q219-M223 PolarHBondContact O-N 3.49Å; L220-M223 PolarHBondContact O-N 2.87Å; N221-M223 VanDerWaalsContact C-N 3.3Å; N221-M223 PolarHBondContact O-N 3.33Å
224	Y	87.9	Confident	76.7	Confident	57 Å²	57	69.8 Å²	69.8	22%	0.224	35%	0.353	C	S	.	.	H	α-helix	trans	-116.7	-27	-169.8	-62.2	-74.8	0	0	0	114.7	D87 F91 A94 L220	D87-Y224 WeakPolarHBondContact CB-O 3.43Å; F91-Y224 HydrophobicContact CB-CG 4.34Å; A94-Y224 HydrophobicContact CB-CD2 4.26Å; A94-Y224 HydrophobicContact CB-CE2 3.51Å; L220-Y224 HydrophobicContact CD2-CD2 4.19Å; L220-Y224 HydrophobicContact CD2-CE2 3.78Å; L220-Y224 VanDerWaalsContact O-CD2 3.29Å; L220-Y224 WeakPolarHBondContact O-CD2 3.09Å; L220-Y224 PolarHBondContact O-N 2.68Å
225	L	85	Confident	75.6	Confident	13 Å²	13	69.9 Å²	69.9	7%	0.068	35%	0.354	C	S	.	.	S	Bend	trans	-117.4	19	-171.7	-58.3	-178.8	0	0	0	113.6	D87 V88 F91 V152 V158 L204 N221 G227	D87-L225 HydrophobicContact CB-CD2 4.47Å; V88-L225 HydrophobicContact CG2-CD2 4Å; F91-L225 HydrophobicContact CB-CD1 4.32Å; F91-L225 HydrophobicContact CB-CD2 3.97Å; F91-L225 HydrophobicContact CB-CG 4.05Å; F91-L225 HydrophobicContact CD1-CD1 3.99Å; F91-L225 HydrophobicContact CD2-CD1 3.64Å; F91-L225 HydrophobicContact CD2-CG 3.84Å; F91-L225 HydrophobicContact CE1-CD1 4.23Å; F91-L225 HydrophobicContact CE2-CD1 3.9Å; F91-L225 HydrophobicContact CG-CD1 3.69Å; F91-L225 HydrophobicContact CG-CD2 4.25Å; F91-L225 HydrophobicContact CG-CG 3.91Å; F91-L225 HydrophobicContact CZ-CD1 4.18Å; V152-L225 HydrophobicContact CG1-CD1 3.86Å; V152-L225 HydrophobicContact CG2-CB 4.5Å; V158-L225 HydrophobicContact CG1-CD1 4.13Å; L204-L225 HydrophobicContact CD1-CD1 4.11Å; N221-L225 CarbonylContact O-C 3.59Å; N221-L225 WeakPolarHBondContact O-CA 3.22Å; N221-L225 PolarHBondContact O-N 3.36Å; L225-G227 PolarHBondContact O-N 2.58Å; L225-G227 VanDerWaalsContact O-N 3.16Å
226	S	74.1	Confident	73.9	Confident	93 Å²	93	74.1 Å²	74.1	65%	0.65	37%	0.367	S	S	*	.			trans	-69.3	-5.4	179.1	-77.4	0	0	0	0	115.3	N221 E222	N221-S226 PolarHBondContact O-N 3.35Å; E222-S226 VanDerWaalsContact C-OG 3.3Å; E222-S226 WeakPolarHBondContact CA-OG 3.36Å; E222-S226 WeakPolarHBondContact O-CB 3.35Å; E222-S226 PolarHBondContact O-OG 2.99Å
227	G	69.6	Low	72.4	Confident	38 Å²	38	77 Å²	77	39%	0.392	39%	0.389	S	S	.	.			trans	-76.2	138.5	-178.3	0	0	0	0	0	112.8	L225 Y229	L225-G227 PolarHBondContact O-N 2.58Å; L225-G227 VanDerWaalsContact O-N 3.16Å; G227-Y229 WeakPolarHBondContact O-CD2 3.43Å; G227-Y229 WeakPolarHBondContact O-CE2 3.44Å
228	R	72.3	Confident	70.7	Confident	201 Å²	201	80 Å²	80	76%	0.758	41%	0.408	S	S	*	.			trans	-80.9	115.7	159.4	-72	-165.7	-175.3	-173.1	1	109.2	E149 I230	E149-R228 WeakPolarHBondContact OE1-CD 3.49Å; R228-I230 HydrophobicContact CB-CG1 4.28Å; R228-I230 PolarHBondContact O-N 3.05Å
229	Y	80.8	Confident	69.1	Low	27 Å²	27	80.3 Å²	80.3	11%	0.106	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	90.2	-179.3	-57.3	-70.9	0	0	0	109.9	F84 D87 E149 F150 V152 G227	F84-Y229 HydrophobicContact CB-CD1 3.75Å; F84-Y229 HydrophobicContact CB-CE1 3.89Å; F84-Y229 HydrophobicContact CB-CG 4.41Å; F84-Y229 AromaticContact CD2-CD1 3.63Å; F84-Y229 HydrophobicContact CD2-CD1 3.63Å; F84-Y229 AromaticContact CD2-CD2 3.59Å; F84-Y229 HydrophobicContact CD2-CD2 3.59Å; F84-Y229 AromaticContact CD2-CE1 3.69Å; F84-Y229 HydrophobicContact CD2-CE1 3.69Å; F84-Y229 AromaticContact CD2-CE2 3.63Å; F84-Y229 HydrophobicContact CD2-CE2 3.63Å; F84-Y229 AromaticContact CD2-CG 3.58Å; F84-Y229 HydrophobicContact CD2-CG 3.58Å; F84-Y229 AromaticContact CD2-CZ 3.69Å; F84-Y229 AromaticContact CE2-CD2 3.99Å; F84-Y229 HydrophobicContact CE2-CD2 3.99Å; F84-Y229 AromaticContact CE2-CE2 3.96Å; F84-Y229 HydrophobicContact CE2-CE2 3.96Å; F84-Y229 HydrophobicContact CE2-CG 4.38Å; F84-Y229 HydrophobicContact CG-CD1 4.19Å; F84-Y229 HydrophobicContact CG-CE1 4.29Å; F84-Y229 HydrophobicContact CG-CG 4.43Å; D87-Y229 VanDerWaalsContact CB-OH 3.3Å; D87-Y229 WeakPolarHBondContact CB-OH 3.29Å; D87-Y229 VanDerWaalsContact OD2-CE1 3.3Å; D87-Y229 WeakPolarHBondContact OD2-CE1 3.28Å; D87-Y229 PolarHBondContact OD2-OH 2.94Å; E149-Y229 WeakPolarHBondContact CA-O 3.34Å; F150-Y229 PolarHBondContact N-O 3.09Å; V152-Y229 HydrophobicContact CG2-CE2 4.13Å; G227-Y229 WeakPolarHBondContact O-CD2 3.43Å; G227-Y229 WeakPolarHBondContact O-CE2 3.44Å
230	I	75.7	Confident	67.6	Low	73 Å²	73	81.4 Å²	81.4	37%	0.374	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.1	-178.5	-53.7	179.4	0	0	0	109.7	P147 R228 N232	P147-I230 HydrophobicContact CB-CG2 3.6Å; P147-I230 HydrophobicContact CG-CG2 3.99Å; R228-I230 HydrophobicContact CB-CG1 4.28Å; R228-I230 PolarHBondContact O-N 3.05Å; I230-N232 VanDerWaalsContact CG2-OD1 3.27Å; I230-N232 WeakPolarHBondContact CG2-OD1 3.21Å
231	I	72.2	Confident	66.9	Low	19 Å²	19	83 Å²	83	10%	0.097	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	99.5	176.4	-56.3	170.1	0	0	0	107.6	L80 L148 F162 L242	L80-I231 HydrophobicContact CD2-CD1 4.12Å; L148-I231 HydrophobicContact CB-CB 4.27Å; L148-I231 HydrophobicContact CD2-CB 4.38Å; L148-I231 HydrophobicContact CD2-CD1 3.77Å; L148-I231 HydrophobicContact CG-CD1 4.17Å; L148-I231 PolarHBondContact O-N 3.18Å; F162-I231 HydrophobicContact CD1-CD1 4.41Å; F162-I231 HydrophobicContact CE1-CD1 3.71Å; I231-L242 HydrophobicContact CD1-CD1 4.25Å; I231-L242 HydrophobicContact CD1-CD2 4.06Å; I231-L242 HydrophobicContact CD1-CG 4.49Å; I231-L242 HydrophobicContact CG2-CD1 4.29Å
232	N	63.5	Low	66.8	Low	85 Å²	85	82.8 Å²	82.8	46%	0.455	42%	0.42	S	S	.	.			trans	-89.4	127.8	-179.3	-73.2	-26.9	0	0	0	111.5	I230 F234 D235	I230-N232 VanDerWaalsContact CG2-OD1 3.27Å; I230-N232 WeakPolarHBondContact CG2-OD1 3.21Å; N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 3.45Å; N232-D235 HydrophobicContact CB-CB 4.48Å
233	E	56.8	Low	67	Low	58 Å²	58	79.2 Å²	79.2	27%	0.271	40%	0.402	S	S	.	.	S	Bend	trans	-68.6	-24.5	172.8	-64.6	-169.5	170.8	0	0	113.4	S397	E233-S397 WeakPolarHBondContact OE2-CB 3.44Å
234	F	47.3	Very low	67.2	Low	175 Å²	175	73.7 Å²	73.7	77%	0.768	38%	0.375	S	S	*	.	S	Bend	trans	-94.8	-13.3	-167.3	-68.4	-79.5	0	0	0	114.8	N232 Q236	N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 3.45Å; F234-Q236 PolarHBondContact O-N 2.93Å; F234-Q236 VanDerWaalsContact O-N 3.15Å
235	D	48.1	Very low	67.6	Low	66 Å²	66	71.2 Å²	71.2	35%	0.353	37%	0.366	S	S	.	.			trans	-87.8	88.6	-179.6	-159.8	-16.2	0	0	0	111.1	N232 S237 V238 N239	N232-D235 HydrophobicContact CB-CB 4.48Å; D235-S237 PolarHBondContact O-N 3.28Å; D235-S237 VanDerWaalsContact O-N 3.17Å; D235-S237 WeakPolarHBondContact OD1-CB 3.36Å; D235-S237 PolarHBondContact OD1-N 2.9Å; D235-S237 PolarHBondContact OD1-OG 3.25Å; D235-V238 HydrophobicContact CB-CG2 4.33Å; D235-V238 PolarHBondContact O-N 3.16Å; D235-V238 VanDerWaalsContact O-N 3.14Å; D235-V238 WeakPolarHBondContact OD2-CG2 3.37Å; D235-N239 PolarHBondContact O-N 3.46Å
236	Q	44.1	Very low	68.2	Low	160 Å²	160	70.6 Å²	70.6	75%	0.748	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19	175.7	-71.1	-177.6	0.9	0	0	113.3	F234 V238	F234-Q236 PolarHBondContact O-N 2.93Å; F234-Q236 VanDerWaalsContact O-N 3.15Å; Q236-V238 VanDerWaalsContact C-N 3.29Å
237	S	48.5	Very low	69.4	Low	105 Å²	105	66.8 Å²	66.8	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.2	177.8	76.3	0	0	0	0	113.4	D235	D235-S237 PolarHBondContact O-N 3.28Å; D235-S237 VanDerWaalsContact O-N 3.17Å; D235-S237 WeakPolarHBondContact OD1-CB 3.36Å; D235-S237 PolarHBondContact OD1-N 2.9Å; D235-S237 PolarHBondContact OD1-OG 3.25Å
238	V	46.5	Very low	70.7	Confident	65 Å²	65	65 Å²	65	39%	0.394	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	8	-177.3	-154	0	0	0	0	112.2	D235 Q236 H240 Q241	D235-V238 HydrophobicContact CB-CG2 4.33Å; D235-V238 PolarHBondContact O-N 3.16Å; D235-V238 VanDerWaalsContact O-N 3.14Å; D235-V238 WeakPolarHBondContact OD2-CG2 3.37Å; Q236-V238 VanDerWaalsContact C-N 3.29Å; V238-H240 PolarHBondContact O-N 2.96Å; V238-Q241 HydrophobicContact CG1-CG 4.13Å; V238-Q241 VanDerWaalsContact CG1-NE2 3.31Å; V238-Q241 PolarHBondContact O-N 3.15Å
239	N	47.7	Very low	71.8	Confident	71 Å²	71	55.9 Å²	55.9	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	19.9	-168.4	-119.6	-19	0	0	0	116.7	D235	D235-N239 PolarHBondContact O-N 3.46Å
240	H	54.6	Low	72.3	Confident	117 Å²	117	55.2 Å²	55.2	54%	0.542	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	23.2	175	-64.7	-40.1	0	0	0	113	V238 K243	V238-H240 PolarHBondContact O-N 2.96Å; H240-K243 WeakPolarHBondContact O-CE 3.38Å
241	Q	71.3	Confident	73.2	Confident	45 Å²	45	52.4 Å²	52.4	21%	0.21	27%	0.267	C	S	.	.			trans	-63.6	-58.4	179.1	-82.5	178.7	2.4	0	0	112	L80 G81 V238	L80-Q241 CarbonylContact C-O 3.4Å; L80-Q241 CarbonylContact O-C 3.54Å; L80-Q241 VanDerWaalsContact O-C 3.31Å; L80-Q241 WeakPolarHBondContact O-CB 3.46Å; L80-Q241 VanDerWaalsContact O-O 3.13Å; G81-Q241 WeakPolarHBondContact CA-O 3.44Å; G81-Q241 PolarHBondContact N-O 2.72Å; V238-Q241 HydrophobicContact CG1-CG 4.13Å; V238-Q241 VanDerWaalsContact CG1-NE2 3.31Å; V238-Q241 PolarHBondContact O-N 3.15Å
242	L	82.9	Confident	74	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.052	27%	0.266	C	S	.	.			trans	-83.7	125.3	-174.1	-60.3	-173	0	0	0	112.6	L78 S79 L80 I231 L393 L395	L78-L242 HydrophobicContact CD1-CB 4.39Å; S79-L242 WeakPolarHBondContact O-CA 3.31Å; L80-L242 HydrophobicContact CB-CD2 4.4Å; L80-L242 HydrophobicContact CD2-CD2 3.78Å; L80-L242 HydrophobicContact CG-CD2 4.32Å; I231-L242 HydrophobicContact CD1-CD1 4.25Å; I231-L242 HydrophobicContact CD1-CD2 4.06Å; I231-L242 HydrophobicContact CD1-CG 4.49Å; I231-L242 HydrophobicContact CG2-CD1 4.29Å; L242-L393 HydrophobicContact CB-CB 3.89Å; L242-L393 HydrophobicContact CB-CD2 4.11Å; L242-L393 HydrophobicContact CB-CG 4.41Å; L242-L393 HydrophobicContact CD1-CD2 3.76Å; L242-L393 PolarHBondContact O-N 2.84Å; L242-L395 HydrophobicContact CD1-CD1 4.4Å
243	K	89.7	Confident	75.3	Confident	70 Å²	70	48.8 Å²	48.8	30%	0.304	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.1	177.5	-62.3	174.6	-173.1	167.6	0	111.1	S79 H240 V391	S79-K243 PolarHBondContact N-O 2.8Å; S79-K243 PolarHBondContact O-N 2.67Å; H240-K243 WeakPolarHBondContact O-CE 3.38Å; K243-V391 CarbonylContact C-O 3.55Å; K243-V391 WeakPolarHBondContact CA-O 3.49Å
244	F	93.5	Very high	76.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.8	162.3	-61.9	-73.7	0	0	0	109	L77 L78 L113 F130 F134 I138 L171 I174 S390 V391 L393	L77-F244 CarbonylContact O-C 3.54Å; L77-F244 WeakPolarHBondContact O-CA 3.43Å; L78-F244 HydrophobicContact CB-CD1 4.46Å; L78-F244 HydrophobicContact CD1-CD1 4.04Å; L78-F244 HydrophobicContact CD1-CE1 3.95Å; L78-F244 HydrophobicContact CD1-CZ 4.41Å; L113-F244 HydrophobicContact CD1-CD1 3.59Å; L113-F244 HydrophobicContact CD1-CE1 3.55Å; F130-F244 HydrophobicContact CZ-CB 3.92Å; F134-F244 HydrophobicContact CB-CB 4.23Å; F134-F244 HydrophobicContact CB-CD2 3.96Å; F134-F244 HydrophobicContact CB-CG 4.27Å; F134-F244 HydrophobicContact CD1-CB 3.91Å; F134-F244 AromaticContact CD1-CD1 3.65Å; F134-F244 HydrophobicContact CD1-CD1 3.65Å; F134-F244 AromaticContact CD1-CD2 3.51Å; F134-F244 HydrophobicContact CD1-CD2 3.51Å; F134-F244 AromaticContact CD1-CE1 3.97Å; F134-F244 HydrophobicContact CD1-CE1 3.97Å; F134-F244 AromaticContact CD1-CE2 3.81Å; F134-F244 HydrophobicContact CD1-CE2 3.81Å; F134-F244 AromaticContact CD1-CG 3.4Å; F134-F244 HydrophobicContact CD1-CG 3.4Å; F134-F244 VanDerWaalsContact CD1-CG 3.4Å; F134-F244 HydrophobicContact CD1-CZ 4.04Å; F134-F244 AromaticContact CE1-CD1 3.76Å; F134-F244 HydrophobicContact CE1-CD1 3.76Å; F134-F244 HydrophobicContact CE1-CD2 4.43Å; F134-F244 AromaticContact CE1-CE1 3.98Å; F134-F244 HydrophobicContact CE1-CE1 3.98Å; F134-F244 AromaticContact CE1-CG 4Å; F134-F244 HydrophobicContact CE1-CG 4Å; F134-F244 HydrophobicContact CE1-CZ 4.39Å; F134-F244 HydrophobicContact CG-CB 4.16Å; F134-F244 HydrophobicContact CG-CD2 4.15Å; F134-F244 HydrophobicContact CG-CG 4.1Å; I138-F244 HydrophobicContact CD1-CE2 3.92Å; I138-F244 HydrophobicContact CD1-CZ 4.21Å; L171-F244 HydrophobicContact CD2-CE1 3.97Å; L171-F244 HydrophobicContact CD2-CZ 4.26Å; I174-F244 HydrophobicContact CD1-CZ 4.29Å; F244-S390 CarbonylContact O-C 3.53Å; F244-S390 VanDerWaalsContact O-CA 3.23Å; F244-S390 WeakPolarHBondContact O-CA 3.2Å; F244-V391 PolarHBondContact N-O 3.45Å; F244-V391 PolarHBondContact O-N 3.02Å; F244-L393 HydrophobicContact CD2-CB 4.32Å; F244-L393 HydrophobicContact CE2-CB 3.88Å; F244-L393 HydrophobicContact CE2-CD1 3.76Å; F244-L393 HydrophobicContact CE2-CD2 4.29Å; F244-L393 HydrophobicContact CE2-CG 4.18Å; F244-L393 HydrophobicContact CZ-CD1 4.15Å; F244-L393 HydrophobicContact CZ-CD2 4.17Å
245	C	95.5	Very high	78.4	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.2	-178.7	-65.2	0	0	0	0	110.1	L77 Y247 L387	L77-C245 PolarHBondContact N-O 3Å; L77-C245 PolarHBondContact O-N 3.07Å; C245-Y247 HydrophobicContact CB-CD2 3.9Å; C245-Y247 HydrophobicContact CB-CE2 3.28Å; C245-L387 HydrophobicContact CB-CD1 4.05Å
246	L	97.9	Very high	79.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.4	171.8	-177.1	66	0	0	0	109.1	F74 V76 K127 F130 H388 C389	F74-L246 HydrophobicContact CB-CD1 4.31Å; F74-L246 HydrophobicContact CD1-CD1 4.06Å; F74-L246 HydrophobicContact CD1-CD2 4.46Å; F74-L246 HydrophobicContact CD1-CG 4.2Å; V76-L246 HydrophobicContact CG2-CD1 4.13Å; K127-L246 HydrophobicContact CB-CD2 4.38Å; F130-L246 HydrophobicContact CB-CD2 4.18Å; F130-L246 HydrophobicContact CD1-CB 4.1Å; F130-L246 HydrophobicContact CD1-CD2 4.44Å; F130-L246 HydrophobicContact CD2-CB 4.08Å; F130-L246 HydrophobicContact CD2-CD1 4.24Å; F130-L246 HydrophobicContact CD2-CD2 4.43Å; F130-L246 HydrophobicContact CD2-CG 4.49Å; F130-L246 HydrophobicContact CE1-CB 3.94Å; F130-L246 HydrophobicContact CE2-CB 3.91Å; F130-L246 HydrophobicContact CG-CB 4.18Å; F130-L246 HydrophobicContact CG-CD2 4.11Å; F130-L246 HydrophobicContact CZ-CB 3.85Å; L246-H388 HydrophobicContact CB-CB 4.36Å; L246-H388 HydrophobicContact CD2-CB 4.14Å; L246-H388 HydrophobicContact CG-CB 4.23Å; L246-H388 WeakPolarHBondContact O-CB 3.44Å; L246-H388 PolarHBondContact O-N 3.45Å; L246-C389 PolarHBondContact N-O 3.49Å
247	Y	98	Very high	81	Confident	13 Å²	13	38.7 Å²	38.7	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158	175.9	-67.1	-87.5	0	0	0	111.4	F74 H75 L77 R108 Q110 C245 W385 T386 L387	F74-Y247 CarbonylContact C-O 3.5Å; F74-Y247 VanDerWaalsContact CA-O 3.23Å; F74-Y247 WeakPolarHBondContact CA-O 3.5Å; H75-Y247 PolarHBondContact N-O 3.48Å; H75-Y247 PolarHBondContact O-N 2.99Å; L77-Y247 HydrophobicContact CD1-CD2 3.71Å; L77-Y247 HydrophobicContact CD1-CE2 3.92Å; L77-Y247 HydrophobicContact CG-CD2 4.16Å; R108-Y247 PolarHBondContact NE-OH 3.02Å; Q110-Y247 VanDerWaalsContact OE1-CE2 3.3Å; C245-Y247 HydrophobicContact CB-CD2 3.9Å; C245-Y247 HydrophobicContact CB-CE2 3.28Å; Y247-W385 HydrophobicContact CD1-CB 4.22Å; Y247-W385 HydrophobicContact CG-CE3 4.16Å; Y247-T386 CarbonylContact C-O 3.47Å; Y247-T386 VanDerWaalsContact CA-O 3.25Å; Y247-T386 WeakPolarHBondContact CA-O 3.37Å; Y247-L387 HydrophobicContact CD1-CB 3.98Å; Y247-L387 HydrophobicContact CD1-CD1 4.08Å; Y247-L387 HydrophobicContact CD2-CD1 4.47Å; Y247-L387 HydrophobicContact CE1-CB 3.7Å; Y247-L387 HydrophobicContact CE1-CD1 3.69Å; Y247-L387 HydrophobicContact CE1-CG 4.19Å; Y247-L387 HydrophobicContact CE2-CD1 4.13Å; Y247-L387 HydrophobicContact CG-CD1 4.46Å
248	S	97.6	Very high	82.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163	162.7	71	0	0	0	0	110.7	D73 W385 T386 H388	D73-S248 VanDerWaalsContact O-CA 3.26Å; D73-S248 WeakPolarHBondContact O-CA 3.31Å; S248-W385 CarbonylContact O-C 3.57Å; S248-W385 WeakPolarHBondContact O-CA 3.27Å; S248-T386 PolarHBondContact N-O 3.32Å; S248-T386 PolarHBondContact O-N 3.02Å; S248-H388 WeakPolarHBondContact CB-NE2 3.26Å; S248-H388 PolarHBondContact OG-NE2 2.57Å
249	H	94.8	Very high	84.5	Confident	11 Å²	11	32 Å²	32	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.8	173.2	62.9	75.2	0	0	0	112.6	D73 H75 L253 W385	D73-H249 VanDerWaalsContact CB-CE1 3.47Å; D73-H249 WeakPolarHBondContact CB-CE1 3.43Å; D73-H249 WeakPolarHBondContact CB-NE2 3.21Å; D73-H249 PolarHBondContact O-N 3.27Å; H75-H249 AromaticContact CD2-CD2 3.53Å; H75-H249 AromaticContact CD2-NE2 3.81Å; H75-H249 AromaticContact CE1-NE2 3.99Å; H75-H249 AromaticContact NE2-CD2 3.14Å; H75-H249 PolarHBondContact NE2-CD2 2.81Å; H75-H249 AromaticContact NE2-NE2 2.96Å; H75-H249 PolarHBondContact NE2-NE2 3.46Å; H249-L253 HydrophobicContact CB-CD1 3.96Å; H249-W385 HydrophobicContact CB-CD2 4.34Å; H249-W385 HydrophobicContact CB-CG 3.89Å; H249-W385 AromaticContact CD2-CE2 3.67Å; H249-W385 AromaticContact CD2-CZ2 3.81Å; H249-W385 AromaticContact CD2-NE1 3.74Å; H249-W385 AromaticContact CG-NE1 3.79Å
250	D	93	Very high	86.6	Confident	12 Å²	12	28.6 Å²	28.6	6%	0.064	14%	0.142	C	C	.	.			trans	-57	134.3	175.5	-164.3	-66.2	0	0	0	110.5	R60 R252 L253	R60-D250 IonicContact NH1-OD2 3.16Å; R60-D250 IonicContact NH2-OD2 2.97Å; R60-D250 PolarHBondContact NH2-OD2 3.4Å; D250-R252 PolarHBondContact O-N 3.38Å; D250-R252 VanDerWaalsContact O-N 3.1Å; D250-R252 VanDerWaalsContact OD1-CB 3.28Å; D250-R252 WeakPolarHBondContact OD1-CB 3.37Å; D250-R252 WeakPolarHBondContact OD1-CG 3.36Å; D250-R252 IonicContact OD1-CZ 2.69Å; D250-R252 PolarHBondContact OD1-N 2.79Å; D250-R252 IonicContact OD1-NE 3.62Å; D250-R252 PolarHBondContact OD1-NE 3.39Å; D250-R252 IonicContact OD1-NH2 3.82Å; D250-R252 IonicContact OD2-CZ 3.39Å; D250-R252 IonicContact OD2-NE 3.55Å; D250-R252 PolarHBondContact OD2-NE 2.94Å; D250-R252 IonicContact OD2-NH2 3.92Å; D250-R252 PolarHBondContact OD2-NH2 3.39Å; D250-L253 HydrophobicContact CB-CD1 3.96Å; D250-L253 HydrophobicContact CB-CG 4.35Å; D250-L253 WeakPolarHBondContact O-CB 3.4Å; D250-L253 PolarHBondContact O-N 2.95Å
251	P	92.9	Very high	88.3	Confident	15 Å²	15	23.5 Å²	23.5	10%	0.097	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-56.8	-24.9	178.1	-25.8	33.5	0	0	0	113.8	F44 F70 L253 R254	F44-P251 HydrophobicContact CZ-CG 4.47Å; F70-P251 HydrophobicContact CB-CG 4.45Å; F70-P251 HydrophobicContact CD2-CG 3.55Å; F70-P251 HydrophobicContact CE2-CG 4.1Å; F70-P251 HydrophobicContact CG-CG 4.19Å; P251-L253 PolarHBondContact O-N 3.47Å; P251-R254 WeakPolarHBondContact O-CB 3.24Å; P251-R254 PolarHBondContact O-N 2.61Å
252	R	89.8	Confident	89.4	Confident	24 Å²	24	22.3 Å²	22.3	9%	0.091	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-69.7	-19.3	177.4	-64.9	171.5	-75.1	-155	-1	113.1	D63 L65 D250 R254 Y258 L344	D63-R252 IonicContact OD1-CZ 3.46Å; D63-R252 IonicContact OD1-NH1 3.1Å; D63-R252 PolarHBondContact OD1-NH1 3.47Å; D63-R252 IonicContact OD1-NH2 4Å; D63-R252 IonicContact OD2-CZ 2.67Å; D63-R252 IonicContact OD2-NH1 2.86Å; D63-R252 PolarHBondContact OD2-NH1 3.41Å; D63-R252 IonicContact OD2-NH2 2.69Å; D63-R252 PolarHBondContact OD2-NH2 2.88Å; D63-R252 VanDerWaalsContact OD2-NH2 3.16Å; L65-R252 VanDerWaalsContact CD1-CZ 3.49Å; D250-R252 PolarHBondContact O-N 3.38Å; D250-R252 VanDerWaalsContact O-N 3.1Å; D250-R252 VanDerWaalsContact OD1-CB 3.28Å; D250-R252 WeakPolarHBondContact OD1-CB 3.37Å; D250-R252 WeakPolarHBondContact OD1-CG 3.36Å; D250-R252 IonicContact OD1-CZ 2.69Å; D250-R252 PolarHBondContact OD1-N 2.79Å; D250-R252 IonicContact OD1-NE 3.62Å; D250-R252 PolarHBondContact OD1-NE 3.39Å; D250-R252 IonicContact OD1-NH2 3.82Å; D250-R252 IonicContact OD2-CZ 3.39Å; D250-R252 IonicContact OD2-NE 3.55Å; D250-R252 PolarHBondContact OD2-NE 2.94Å; D250-R252 IonicContact OD2-NH2 3.92Å; D250-R252 PolarHBondContact OD2-NH2 3.39Å; R252-R254 PolarHBondContact O-N 3.07Å; R252-Y258 VanDerWaalsContact O-CD2 3.29Å; R252-Y258 WeakPolarHBondContact O-CD2 3.47Å; R252-L344 HydrophobicContact CB-CD2 3.66Å
253	L	90.7	Very high	89.8	Confident	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-80.2	-3.2	174	-66.9	160.6	0	0	0	113.1	H249 D250 P251 D255 V260 L344 L363 Q381 T384	H249-L253 HydrophobicContact CB-CD1 3.96Å; D250-L253 HydrophobicContact CB-CD1 3.96Å; D250-L253 HydrophobicContact CB-CG 4.35Å; D250-L253 WeakPolarHBondContact O-CB 3.4Å; D250-L253 PolarHBondContact O-N 2.95Å; P251-L253 PolarHBondContact O-N 3.47Å; L253-D255 PolarHBondContact O-N 2.79Å; L253-V260 HydrophobicContact CD2-CG2 3.53Å; L253-L344 HydrophobicContact CD2-CD1 3.55Å; L253-L363 HydrophobicContact CD2-CD1 4.4Å; L253-Q381 HydrophobicContact CD2-CB 4.3Å; L253-Q381 HydrophobicContact CD2-CG 4.12Å; L253-Q381 PolarHBondContact O-OE1 3.03Å; L253-T384 VanDerWaalsContact CD1-OG1 3.22Å; L253-T384 WeakPolarHBondContact CD1-OG1 3.24Å
254	R	88.8	Confident	89.7	Confident	72 Å²	72	22.3 Å²	22.3	27%	0.272	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-63.1	-27.7	-178.2	-173.2	-179.8	-61	139.2	5.9	112.8	E71 D73 P251 R252 P256	E71-R254 PolarHBondContact O-NH2 3.23Å; D73-R254 IonicContact OD1-NE 2.71Å; D73-R254 IonicContact OD2-CZ 3.58Å; D73-R254 VanDerWaalsContact OD2-CZ 3.26Å; D73-R254 IonicContact OD2-NE 3.44Å; D73-R254 PolarHBondContact OD2-NE 3.21Å; D73-R254 IonicContact OD2-NH2 2.61Å; D73-R254 PolarHBondContact OD2-NH2 2.93Å; P251-R254 WeakPolarHBondContact O-CB 3.24Å; P251-R254 PolarHBondContact O-N 2.61Å; R252-R254 PolarHBondContact O-N 3.07Å; R254-P256 WeakPolarHBondContact O-CD 3.45Å
255	D	81.3	Confident	89.3	Confident	57 Å²	57	25.8 Å²	25.8	31%	0.305	14%	0.137	S	C	.	.	S	Bend	trans	-75.3	110.6	172.8	-166.8	-15.3	0	0	0	109	L253 S257 Y258	L253-D255 PolarHBondContact O-N 2.79Å; D255-S257 PolarHBondContact O-N 3.48Å; D255-S257 WeakPolarHBondContact OD1-CA 3.36Å; D255-S257 WeakPolarHBondContact OD1-CB 3.39Å; D255-S257 PolarHBondContact OD1-N 3.17Å; D255-S257 PolarHBondContact OD1-OG 3.44Å; D255-S257 PolarHBondContact OD2-OG 2.88Å; D255-Y258 HydrophobicContact CB-CD1 3.98Å; D255-Y258 HydrophobicContact CB-CD2 4.02Å; D255-Y258 HydrophobicContact CB-CE1 3.78Å; D255-Y258 HydrophobicContact CB-CE2 3.99Å; D255-Y258 HydrophobicContact CB-CG 4.06Å; D255-Y258 PolarHBondContact O-N 3.28Å; D255-Y258 VanDerWaalsContact O-N 3.09Å; D255-Y258 WeakPolarHBondContact OD2-CE1 3.33Å
256	P	74.3	Confident	88.9	Confident	104 Å²	104	29.6 Å²	29.6	68%	0.675	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.5	177.6	30.2	-37.1	0	0	0	111.6	R254 Y258	R254-P256 WeakPolarHBondContact O-CD 3.45Å; P256-Y258 PolarHBondContact O-N 3.16Å
257	S	71	Confident	88	Confident	14 Å²	14	32.5 Å²	32.5	10%	0.098	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.5	177.7	94.9	0	0	0	0	113.3	D255 H584 K585	D255-S257 PolarHBondContact O-N 3.48Å; D255-S257 WeakPolarHBondContact OD1-CA 3.36Å; D255-S257 WeakPolarHBondContact OD1-CB 3.39Å; D255-S257 PolarHBondContact OD1-N 3.17Å; D255-S257 PolarHBondContact OD1-OG 3.44Å; D255-S257 PolarHBondContact OD2-OG 2.88Å; S257-H584 WeakPolarHBondContact CA-CD2 3.41Å; S257-H584 WeakPolarHBondContact CA-CE1 3.23Å; S257-H584 WeakPolarHBondContact CA-NE2 3.17Å; S257-H584 WeakPolarHBondContact CB-CD2 3.47Å; S257-H584 WeakPolarHBondContact CB-NE2 3.41Å; S257-H584 PolarHBondContact O-CE1 3.35Å; S257-H584 PolarHBondContact O-NE2 3.02Å; S257-K585 WeakPolarHBondContact OG-CE 2.92Å
258	Y	82.8	Confident	86	Confident	23 Å²	23	38.8 Å²	38.8	9%	0.09	20%	0.202	C	C	.	.			trans	-93	143.8	-174.8	-64.2	-2.3	0	0	0	111.4	R252 D255 P256 L344 F346 Q381	R252-Y258 VanDerWaalsContact O-CD2 3.29Å; R252-Y258 WeakPolarHBondContact O-CD2 3.47Å; D255-Y258 HydrophobicContact CB-CD1 3.98Å; D255-Y258 HydrophobicContact CB-CD2 4.02Å; D255-Y258 HydrophobicContact CB-CE1 3.78Å; D255-Y258 HydrophobicContact CB-CE2 3.99Å; D255-Y258 HydrophobicContact CB-CG 4.06Å; D255-Y258 PolarHBondContact O-N 3.28Å; D255-Y258 VanDerWaalsContact O-N 3.09Å; D255-Y258 WeakPolarHBondContact OD2-CE1 3.33Å; P256-Y258 PolarHBondContact O-N 3.16Å; Y258-L344 VanDerWaalsContact CB-CD1 3.45Å; Y258-L344 HydrophobicContact CD2-CD1 4.13Å; Y258-L344 HydrophobicContact CD2-CD2 3.91Å; Y258-L344 HydrophobicContact CD2-CG 4.06Å; Y258-L344 HydrophobicContact CG-CD1 4.27Å; Y258-F346 HydrophobicContact CD1-CB 4.34Å; Y258-F346 HydrophobicContact CD2-CB 4.22Å; Y258-F346 HydrophobicContact CE1-CB 4.23Å; Y258-F346 HydrophobicContact CE2-CB 3.95Å; Y258-F346 HydrophobicContact CG-CB 4.38Å; Y258-Q381 PolarHBondContact O-NE2 3.18Å
259	E	86.6	Confident	83.7	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142	-179.5	-60.5	174.1	-151.7	0	0	109.3	F261 L344 L345 R378 N583 R589	E259-F261 HydrophobicContact CB-CD2 4.49Å; E259-F261 HydrophobicContact CB-CE2 3.78Å; E259-L344 CarbonylContact O-C 3.45Å; E259-L345 HydrophobicContact CB-CB 4.29Å; E259-L345 HydrophobicContact CB-CD2 4.06Å; E259-L345 HydrophobicContact CG-CD2 4.29Å; E259-L345 PolarHBondContact N-O 2.97Å; E259-L345 PolarHBondContact O-N 2.94Å; E259-R378 IonicContact OE1-NH1 2.88Å; E259-R378 IonicContact OE2-NH1 3.52Å; E259-N583 WeakPolarHBondContact OE1-CB 3.48Å; E259-N583 PolarHBondContact OE1-ND2 2.68Å; E259-R589 IonicContact OE2-CZ 3.81Å; E259-R589 IonicContact OE2-NH1 3.84Å; E259-R589 PolarHBondContact OE2-NH1 2.93Å
260	V	92	Very high	81.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.4	175.9	178.6	0	0	0	0	109.9	L253 Y342 I343 L344 L363 R378 V379 Q381 T384	L253-V260 HydrophobicContact CD2-CG2 3.53Å; V260-Y342 HydrophobicContact CG1-CD1 3.94Å; V260-Y342 HydrophobicContact CG1-CG 4.43Å; V260-I343 CarbonylContact C-O 3.52Å; V260-I343 WeakPolarHBondContact CA-O 3.42Å; V260-L344 HydrophobicContact CG2-CD1 3.88Å; V260-L363 HydrophobicContact CG2-CD1 4.45Å; V260-R378 CarbonylContact O-C 3.59Å; V260-R378 WeakPolarHBondContact O-CA 3.23Å; V260-V379 HydrophobicContact CB-CG2 4.08Å; V260-V379 HydrophobicContact CG1-CG2 3.61Å; V260-V379 PolarHBondContact O-N 3.27Å; V260-Q381 HydrophobicContact CG2-CB 4.47Å; V260-Q381 HydrophobicContact CG2-CG 4.01Å; V260-T384 HydrophobicContact CG1-CG2 3.62Å; V260-T384 HydrophobicContact CG2-CG2 4.43Å
261	F	90.2	Very high	78.2	Confident	10 Å²	10	55.1 Å²	55.1	4%	0.044	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.7	176.4	-75	-97.3	0	0	0	110.2	E259 M263 Y342 I343 L345 F371 I373 R377 R378 R589	E259-F261 HydrophobicContact CB-CD2 4.49Å; E259-F261 HydrophobicContact CB-CE2 3.78Å; F261-M263 HydrophobicContact CB-SD 4.29Å; F261-Y342 CarbonylContact O-C 3.59Å; F261-Y342 VanDerWaalsContact O-CA 3.23Å; F261-Y342 WeakPolarHBondContact O-CA 3.24Å; F261-I343 PolarHBondContact N-O 3.41Å; F261-I343 PolarHBondContact O-N 3.46Å; F261-L345 HydrophobicContact CD2-CB 4.29Å; F261-L345 HydrophobicContact CE2-CB 4.24Å; F261-L345 HydrophobicContact CE2-CD2 4.46Å; F261-F371 HydrophobicContact CB-CE2 4.35Å; F261-F371 HydrophobicContact CD2-CE2 4.5Å; F261-F371 HydrophobicContact CD2-CZ 4.35Å; F261-F371 HydrophobicContact CG-CE2 4.29Å; F261-I373 HydrophobicContact CD1-CD1 4.38Å; F261-I373 HydrophobicContact CD1-CG1 3.98Å; F261-I373 HydrophobicContact CE1-CD1 3.51Å; F261-I373 HydrophobicContact CE1-CG1 3.45Å; F261-I373 VanDerWaalsContact CE1-CG1 3.45Å; F261-I373 HydrophobicContact CE2-CD1 4.09Å; F261-I373 HydrophobicContact CZ-CD1 3.37Å; F261-I373 HydrophobicContact CZ-CG1 3.86Å; F261-R377 CarbonylContact C-O 3.55Å; F261-R377 VanDerWaalsContact CA-O 3.24Å; F261-R377 WeakPolarHBondContact CA-O 3.37Å; F261-R378 HydrophobicContact CD1-CB 4.42Å; F261-R378 HydrophobicContact CE1-CB 3.83Å; F261-R378 HydrophobicContact CE2-CB 4.47Å; F261-R378 HydrophobicContact CE2-CG 4.44Å; F261-R378 HydrophobicContact CZ-CB 3.82Å; F261-R378 HydrophobicContact CZ-CG 4.18Å; F261-R589 VanDerWaalsContact CE2-NH1 3.34Å
262	E	94.1	Very high	75.2	Confident	20 Å²	20	59.5 Å²	59.5	9%	0.093	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.8	165.5	-176	-174.3	162	0	0	108.4	D341 Y342 G376 R377 V379 Q383	E262-D341 WeakPolarHBondContact CA-O 3.4Å; E262-Y342 HydrophobicContact CB-CD1 4.04Å; E262-Y342 HydrophobicContact CB-CE1 3.81Å; E262-Y342 HydrophobicContact CG-CD1 4.42Å; E262-Y342 HydrophobicContact CG-CE1 3.92Å; E262-G376 CarbonylContact O-C 3.56Å; E262-G376 WeakPolarHBondContact O-CA 3.39Å; E262-R377 HydrophobicContact CB-CG 4.23Å; E262-R377 PolarHBondContact N-O 2.77Å; E262-R377 PolarHBondContact O-N 3.27Å; E262-R377 IonicContact OE1-CZ 2.68Å; E262-R377 IonicContact OE1-NH2 2.94Å; E262-R377 PolarHBondContact OE1-NH2 3.35Å; E262-R377 IonicContact OE2-CZ 3.72Å; E262-R377 VanDerWaalsContact OE2-CZ 3.24Å; E262-R377 IonicContact OE2-NE 3.98Å; E262-R377 PolarHBondContact OE2-NE 3.31Å; E262-R377 IonicContact OE2-NH2 3.97Å; E262-R377 PolarHBondContact OE2-NH2 3.5Å; E262-V379 HydrophobicContact CB-CG1 3.65Å; E262-V379 HydrophobicContact CB-CG2 4.23Å; E262-Q383 PolarHBondContact OE2-NE2 3.35Å; E262-Q383 VanDerWaalsContact OE2-NE2 3.15Å
263	M	91.4	Very high	72.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.1	-177.2	-57.3	-46.7	-70.5	0	0	110.7	F261 H337 G340 D341 I343 F371 A375	F261-M263 HydrophobicContact CB-SD 4.29Å; M263-H337 VanDerWaalsContact CE-CD2 3.43Å; M263-H337 WeakPolarHBondContact CE-CD2 3.44Å; M263-H337 WeakPolarHBondContact CE-NE2 3.47Å; M263-H337 HydrophobicContact CG-CB 4.19Å; M263-G340 PolarHBondContact O-N 3.32Å; M263-D341 HydrophobicContact CG-CB 4.28Å; M263-D341 WeakPolarHBondContact CG-O 3.47Å; M263-D341 PolarHBondContact N-O 2.91Å; M263-I343 HydrophobicContact CE-CD1 3.99Å; M263-I343 HydrophobicContact CG-CD1 3.65Å; M263-I343 HydrophobicContact CG-CG1 3.84Å; M263-I343 HydrophobicContact SD-CB 4.38Å; M263-I343 HydrophobicContact SD-CD1 3.48Å; M263-I343 WeakPolarHBondContact SD-CD1 3.36Å; M263-I343 HydrophobicContact SD-CG1 3.91Å; M263-F371 HydrophobicContact CE-CD2 4.19Å; M263-F371 HydrophobicContact SD-CD2 4.34Å; M263-A375 HydrophobicContact CE-CB 3.59Å
264	L	88.5	Confident	69.6	Low	80 Å²	80	66 Å²	66	42%	0.419	37%	0.374	S	S	.	.			trans	-106.7	-15.4	-176.4	-55.4	-176.2	0	0	0	112.7	V339 A375 R377	L264-V339 WeakPolarHBondContact O-CG2 3.25Å; L264-A375 PolarHBondContact N-O 3.15Å; L264-R377 HydrophobicContact CD1-CB 4.12Å; L264-R377 HydrophobicContact CD1-CG 4.15Å; L264-R377 HydrophobicContact CD2-CG 4.16Å; L264-R377 HydrophobicContact CG-CG 4.33Å
265	T	84	Confident	66.9	Low	72 Å²	72	67.9 Å²	67.9	44%	0.442	39%	0.385	S	S	.	.	S	Bend	trans	-127.2	146.5	173.9	60.8	0	0	0	0	109.2	A375	T265-A375 PolarHBondContact N-O 3.49Å; T265-A375 WeakPolarHBondContact OG1-CB 3.48Å
266	D	87.1	Confident	64.5	Low	84 Å²	84	70.9 Å²	70.9	45%	0.449	40%	0.4	S	S	.	.			trans	-66	157.2	167	-63.1	-40.2	0	0	0	109.9	E268 Y338 V339	D266-E268 PolarHBondContact O-N 3.2Å; D266-Y338 VanDerWaalsContact OD1-CA 3.24Å; D266-Y338 WeakPolarHBondContact OD1-CA 3.31Å; D266-V339 WeakPolarHBondContact OD1-CG2 3.49Å; D266-V339 PolarHBondContact OD1-N 3.37Å
267	L	78.5	Confident	62.1	Low	61 Å²	61	70.9 Å²	70.9	32%	0.319	39%	0.394	S	S	.	.			trans	-60.8	113.5	168.3	-178.5	67.6	0	0	0	108.9	S269 H337	L267-S269 PolarHBondContact O-N 2.79Å; L267-S269 VanDerWaalsContact O-N 3.13Å; L267-H337 PolarHBondContact N-O 3.04Å; L267-H337 VanDerWaalsContact N-O 3.11Å
268	E	56.9	Low	60.2	Low	146 Å²	146	74.9 Å²	74.9	68%	0.682	42%	0.42	S	S	*	.			trans	-58.9	121.9	169.7	-70.3	-169.9	170.7	0	0	108.1	D266 Y270	D266-E268 PolarHBondContact O-N 3.2Å; E268-Y270 PolarHBondContact O-N 3.4Å
269	S	49.9	Very low	57.3	Low	116 Å²	116	80.7 Å²	80.7	81%	0.811	45%	0.448	S	S	*	.			trans	-63.3	92.7	170.3	35.7	0	0	0	0	107.5	L267 S271	L267-S269 PolarHBondContact O-N 2.79Å; L267-S269 VanDerWaalsContact O-N 3.13Å; S269-S271 PolarHBondContact O-N 2.71Å
270	Y	41.5	Very low	54.4	Low	146 Å²	146	87.8 Å²	87.8	57%	0.573	48%	0.484	S	S	*	.			trans	-60.7	91.1	166.5	-75.2	-72.4	0	0	0	107.3	E268 S272	E268-Y270 PolarHBondContact O-N 3.4Å; Y270-S272 PolarHBondContact O-N 3.25Å
271	S	30.7	Very low	51.2	Low	104 Å²	104	91.5 Å²	91.5	73%	0.727	51%	0.507	S	S	*	.			trans	-51.5	93.4	152.7	151.8	0	0	0	0	106.5	S269 S273	S269-S271 PolarHBondContact O-N 2.71Å; S271-S273 PolarHBondContact O-N 2.89Å
272	S	29.9	Very low	48.1	Very low	106 Å²	106	98 Å²	98	74%	0.741	54%	0.542	S	S	*	.			trans	43.7	66	158.8	26.3	0	0	0	0	114.7	Y270	Y270-S272 PolarHBondContact O-N 3.25Å
273	S	26.9	Very low	44.7	Very low	60 Å²	60	104.5 Å²	104.5	42%	0.42	58%	0.577	S	S	.	*			trans	-69.5	129.9	159.8	91.9	0	0	0	0	108.2	S271 F275	S271-S273 PolarHBondContact O-N 2.89Å; S273-F275 PolarHBondContact O-N 3.44Å
274	P	35.5	Very low	41.6	Very low	104 Å²	104	115.4 Å²	115.4	68%	0.675	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-69.3	-3.3	-174.8	-10.5	22.6	0	0	0	114.6	I276	P274-I276 VanDerWaalsContact C-N 3.3Å; P274-I276 PolarHBondContact O-N 3.21Å
275	F	32.2	Very low	38.5	Very low	112 Å²	112	119.4 Å²	119.4	49%	0.491	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-79.6	-8.2	-171.8	-71.9	-77.6	0	0	0	114.7	S273 Y510	S273-F275 PolarHBondContact O-N 3.44Å; F275-Y510 HydrophobicContact CD1-CE2 4.13Å; F275-Y510 AromaticContact CE1-CE2 3.85Å; F275-Y510 HydrophobicContact CE1-CE2 3.85Å; F275-Y510 HydrophobicContact CZ-CE2 4.47Å
276	I	31.5	Very low	35.6	Very low	120 Å²	120	126.2 Å²	126.2	62%	0.615	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-138.3	82.4	162.3	-54.3	177.8	0	0	0	106.6	P274 P278	P274-I276 VanDerWaalsContact C-N 3.3Å; P274-I276 PolarHBondContact O-N 3.21Å; I276-P278 WeakPolarHBondContact O-CD 3.2Å
277	N	23.7	Very low	32.8	Very low	104 Å²	104	127.5 Å²	127.5	56%	0.556	68%	0.681	S	S	*	*			trans	-64.3	118.5	-178.2	-152.8	-5.9	0	0	0	109.8	H279	N277-H279 PolarHBondContact O-N 2.93Å; N277-H279 VanDerWaalsContact O-N 3.14Å
278	P	30.6	Very low	30.2	Very low	98 Å²	98	128 Å²	128	64%	0.636	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-4.3	175.5	-15.2	30.3	0	0	0	113.3	I276 I280	I276-P278 WeakPolarHBondContact O-CD 3.2Å; P278-I280 VanDerWaalsContact C-N 3.35Å; P278-I280 PolarHBondContact O-N 3.01Å
279	H	22.3	Very low	28.7	Very low	146 Å²	146	129.1 Å²	129.1	68%	0.676	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	20.6	-171.8	-89.9	-66.3	0	0	0	116.8	N277 T281	N277-H279 PolarHBondContact O-N 2.93Å; N277-H279 VanDerWaalsContact O-N 3.14Å; H279-T281 PolarHBondContact O-N 3.26Å
280	I	26	Very low	27.3	Very low	154 Å²	154	132.3 Å²	132.3	79%	0.79	71%	0.714	S	S	*	*			trans	-84.1	68.4	154.4	-50.5	179.1	0	0	0	107.4	P278	P278-I280 VanDerWaalsContact C-N 3.35Å; P278-I280 PolarHBondContact O-N 3.01Å
281	T	23.4	Very low	26.4	Very low	78 Å²	78	134.9 Å²	134.9	48%	0.479	73%	0.728	S	S	.	*			trans	-120.3	132.9	165	50.4	0	0	0	0	107	H279	H279-T281 PolarHBondContact O-N 3.26Å
282	N	24.6	Very low	26	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	73%	0.727	S	S	*	*	S	Bend	trans	82.2	81	171.7	-51.3	-21.3	0	0	0	115
283	D	24.3	Very low	25.7	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	73%	0.733	S	S	*	*	S	Bend	trans	-161.5	38.8	134.7	-100.2	-13.1	0	0	0	113.9
284	Y	25.2	Very low	25.5	Very low	229 Å²	229	138.1 Å²	138.1	90%	0.898	75%	0.746	S	S	*	*	S	Bend	trans	-151.9	69.3	162.1	-86.8	-75.9	0	0	0	109.6
285	N	24.7	Very low	24.8	Very low	165 Å²	165	142.6 Å²	142.6	88%	0.882	76%	0.755	S	S	*	*			trans	-155.6	61.7	159.9	-90.4	-27.7	0	0	0	109
286	K	23.1	Very low	24.3	Very low	214 Å²	214	144.6 Å²	144.6	93%	0.93	77%	0.77	S	S	*	*			trans	-120.7	73.7	160.4	-90	-170.8	178.9	174.3	0	108.9
287	S	27.3	Very low	23.8	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	78%	0.776	S	S	*	*	S	Bend	trans	-171.3	117.1	152.4	51.1	0	0	0	0	106.8
288	G	23	Very low	23.7	Very low	72 Å²	72	145.5 Å²	145.5	74%	0.742	78%	0.782	S	S	*	*			trans	-63.8	145	-178.3	0	0	0	0	0	112.4
289	D	25.7	Very low	23.1	Very low	169 Å²	169	147.6 Å²	147.6	90%	0.904	79%	0.789	S	S	*	*				-163.5	135.6	119.6	-103.7	-25.3	0	0	0	110.7
290	Q	20.5	Very low	23.2	Very low	182 Å²	182	146.7 Å²	146.7	85%	0.85	79%	0.793	S	S	*	*			trans	-71.5	121.5	172.5	-65.8	173.5	-8.6	0	0	109.2
291	K	24.1	Very low	22.9	Very low	201 Å²	201	148.9 Å²	148.9	87%	0.874	80%	0.797	S	S	*	*			trans	159.3	127.7	139.1	-88.5	163.3	-176.1	179.9	0	112.3
292	S	22.1	Very low	23	Very low	101 Å²	101	153.1 Å²	153.1	71%	0.706	82%	0.816	S	S	*	*			trans	52.6	96.7	146.7	-167.7	0	0	0	0	118.8	T294	S292-T294 PolarHBondContact O-N 3.24Å; S292-T294 PolarHBondContact OG-OG1 2.92Å
293	S	22.2	Very low	23	Very low	125 Å²	125	151.8 Å²	151.8	87%	0.874	81%	0.813	S	S	*	*			trans	-71.5	89	161.1	55.3	0	0	0	0	110.7
294	T	22.8	Very low	22.8	Very low	112 Å²	112	152.2 Å²	152.2	69%	0.687	82%	0.816	S	S	*	*			trans	-86.9	128.5	166.3	-47	0	0	0	0	109	S292	S292-T294 PolarHBondContact O-N 3.24Å; S292-T294 PolarHBondContact OG-OG1 2.92Å
295	F	21.9	Very low	22.9	Very low	198 Å²	198	147.1 Å²	147.1	87%	0.868	81%	0.813	S	S	*	*			trans	-38.6	129	174.8	-78	-101.6	0	0	0	114	N297	F295-N297 PolarHBondContact O-N 3.49Å
296	I	22.3	Very low	22.9	Very low	154 Å²	154	143.9 Å²	143.9	79%	0.79	80%	0.804	S	S	*	*			trans	-73.2	113.6	172.1	-62.3	177.1	0	0	0	108.6
297	N	19.5	Very low	22.9	Very low	139 Å²	139	140.3 Å²	140.3	74%	0.743	80%	0.795	S	S	*	*			trans	-87.7	106.6	173.6	-165.7	9.3	0	0	0	108.5	F295 N299	F295-N297 PolarHBondContact O-N 3.49Å; N297-N299 PolarHBondContact O-N 2.92Å
298	C	22	Very low	22.8	Very low	103 Å²	103	141.6 Å²	141.6	70%	0.696	79%	0.793	S	S	*	*			trans	-97.5	86.6	178.2	-65.3	0	0	0	0	110.5
299	N	19.1	Very low	22.8	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	79%	0.791	S	S	*	*			trans	-82	104.1	159.3	-92.6	-28.5	0	0	0	108.7	N297	N297-N299 PolarHBondContact O-N 2.92Å
300	T	24.5	Very low	22.7	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	79%	0.789	S	S	*	*			trans	-108.5	94	164.3	34.7	0	0	0	0	109.7	L302	T300-L302 PolarHBondContact O-N 3.4Å
301	K	18.7	Very low	23	Very low	200 Å²	200	140.2 Å²	140.2	87%	0.87	79%	0.785	S	S	*	*			trans	-64.3	109.6	158.4	-71.3	179.3	174.9	-178.2	0	107.8
302	L	25.8	Very low	22.8	Very low	166 Å²	166	139.4 Å²	139.4	87%	0.869	78%	0.784	S	S	*	*			trans	-99.7	125.3	160.7	-90.3	161.7	0	0	0	108.3	T300	T300-L302 PolarHBondContact O-N 3.4Å
303	T	23.4	Very low	22.9	Very low	120 Å²	120	140.2 Å²	140.2	74%	0.736	79%	0.788	S	S	*	*			trans	-70.6	137.2	-165.4	42.3	0	0	0	0	113.9
304	D	21.2	Very low	22.9	Very low	165 Å²	165	141.9 Å²	141.9	88%	0.882	79%	0.787	S	S	*	*			trans	-9.4	118.6	151.7	-60.1	-37	0	0	0	116.8
305	S	28.1	Very low	23.1	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	79%	0.794	S	S	*	*			trans	-131.8	127.6	143.5	49.3	0	0	0	0	109.4
306	S	22.9	Very low	23.4	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	78%	0.784	S	S	*	*			trans	-69.6	134.5	-169.1	51.1	0	0	0	0	114.7
307	N	24.2	Very low	23.7	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	79%	0.785	S	S	*	*				162.7	132.3	110.3	-86.6	-27.1	0	0	0	114.5
308	N	24.9	Very low	24.3	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	78%	0.775	S	S	*	*			trans	73.6	96.1	146.1	-66.5	-8.3	0	0	0	121.4
309	S	22.6	Very low	24.5	Very low	99 Å²	99	137.6 Å²	137.6	69%	0.692	78%	0.78	S	S	*	*				39.8	104.4	120.8	65	0	0	0	0	119.4
310	Q	24.5	Very low	25	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	76%	0.764	S	S	*	*				179.1	136.6	115.4	-100.2	171.9	-18.1	0	0	112.1
311	S	26.5	Very low	25.2	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	76%	0.756	S	S	*	*			trans	56.6	87.7	159.8	62.5	0	0	0	0	120.3
312	Q	20.5	Very low	25.6	Very low	184 Å²	184	129 Å²	129	86%	0.86	75%	0.75	S	S	*	*				19.9	98.1	115.7	-143.3	173.7	16.7	0	0	117.2
313	C	24	Very low	25.8	Very low	118 Å²	118	125.3 Å²	125.3	80%	0.797	74%	0.737	S	S	*	*			trans	-148.4	99.8	153.4	-80.2	0	0	0	0	107.1	V315	C313-V315 PolarHBondContact O-N 2.87Å
314	D	22.4	Very low	25.8	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	73%	0.734	S	S	*	*			trans	-64.7	96	174.3	-75.9	-45.3	0	0	0	110	S316	D314-S316 PolarHBondContact O-N 3.41Å
315	V	26.2	Very low	26.3	Very low	138 Å²	138	118.7 Å²	118.7	84%	0.836	71%	0.708	S	S	*	*			trans	-88.2	95.2	165.5	-177.5	0	0	0	0	107.5	C313 S317	C313-V315 PolarHBondContact O-N 2.87Å; V315-S317 PolarHBondContact O-N 3.34Å
316	S	28.6	Very low	26.2	Very low	94 Å²	94	120.7 Å²	120.7	66%	0.657	71%	0.709	S	S	*	*			trans	-53.3	126.4	177.7	55.4	0	0	0	0	113	D314 N318	D314-S316 PolarHBondContact O-N 3.41Å; S316-N318 PolarHBondContact O-N 2.85Å
317	S	28.4	Very low	26.3	Very low	115 Å²	115	119.7 Å²	119.7	80%	0.804	70%	0.702	S	S	*	*			trans	-26.9	112.2	168.2	-55.2	0	0	0	0	116.4	V315	V315-S317 PolarHBondContact O-N 3.34Å
318	N	32	Very low	26.5	Very low	101 Å²	101	119.9 Å²	119.9	54%	0.54	71%	0.711	S	S	.	*			trans	-151.4	40.4	169.6	-102.3	-25	0	0	0	114	S316	S316-N318 PolarHBondContact O-N 2.85Å
319	Q	25.4	Very low	26.6	Very low	169 Å²	169	116.5 Å²	116.5	79%	0.79	71%	0.709	S	S	*	*			trans	-81.7	130.2	166.2	-72.9	177.5	-9	0	0	110.2
320	V	30.3	Very low	27.1	Very low	72 Å²	72	115.7 Å²	115.7	44%	0.436	70%	0.703	S	S	.	*			trans	-54.4	139.7	162.4	178.7	0	0	0	0	107.2	V322	V320-V322 PolarHBondContact O-N 3.14Å
321	P	28.2	Very low	27.9	Very low	94 Å²	94	115.7 Å²	115.7	61%	0.61	70%	0.695	S	S	*	*			trans	-57.1	107.9	177.7	-17.6	29.4	0	0	0	108.7	C323	P321-C323 PolarHBondContact O-N 2.76Å
322	V	27.7	Very low	29.4	Very low	123 Å²	123	114 Å²	114	75%	0.745	68%	0.675	S	S	*	*			trans	-64.5	97.2	161.5	179.9	0	0	0	0	103.7	V320 A324	V320-V322 PolarHBondContact O-N 3.14Å; V322-A324 PolarHBondContact O-N 3.14Å; V322-A324 VanDerWaalsContact O-N 3.1Å
323	C	28.8	Very low	31.9	Very low	89 Å²	89	114.7 Å²	114.7	60%	0.601	67%	0.669	S	S	*	*			trans	-49.6	123.9	160.5	-80.8	0	0	0	0	105.4	P321 I325	P321-C323 PolarHBondContact O-N 2.76Å; C323-I325 VanDerWaalsContact C-N 3.26Å; C323-I325 HydrophobicContact CB-CD1 4.48Å; C323-I325 HydrophobicContact CB-CG1 4.27Å; C323-I325 VanDerWaalsContact O-CG1 3.23Å; C323-I325 WeakPolarHBondContact O-CG1 3.47Å; C323-I325 PolarHBondContact O-N 3.36Å
324	A	25	Very low	34.8	Very low	81 Å²	81	114.6 Å²	114.6	67%	0.669	66%	0.656	S	S	*	*			trans	-63.7	90	-179.8	0	0	0	0	0	108.7	V322 N326	V322-A324 PolarHBondContact O-N 3.14Å; V322-A324 VanDerWaalsContact O-N 3.1Å; A324-N326 VanDerWaalsContact C-N 3.35Å
325	I	31.2	Very low	37.9	Very low	65 Å²	65	107.2 Å²	107.2	33%	0.333	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	-10.7	-170.5	-73.2	153.6	0	0	0	112.3	C323 S327	C323-I325 VanDerWaalsContact C-N 3.26Å; C323-I325 HydrophobicContact CB-CD1 4.48Å; C323-I325 HydrophobicContact CB-CG1 4.27Å; C323-I325 VanDerWaalsContact O-CG1 3.23Å; C323-I325 WeakPolarHBondContact O-CG1 3.47Å; C323-I325 PolarHBondContact O-N 3.36Å; I325-S327 VanDerWaalsContact C-N 3.28Å; I325-S327 PolarHBondContact O-N 2.74Å
326	N	25.9	Very low	41	Very low	162 Å²	162	105.3 Å²	105.3	87%	0.866	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	18.2	177.5	-70.1	-10.4	0	0	0	114.6	A324	A324-N326 VanDerWaalsContact C-N 3.35Å
327	S	25.1	Very low	44	Very low	77 Å²	77	101 Å²	101	54%	0.538	57%	0.568	S	S	.	*	S	Bend	trans	-88.2	121	166.9	-73.7	0	0	0	0	110.3	I325 G329 C330	I325-S327 VanDerWaalsContact C-N 3.28Å; I325-S327 PolarHBondContact O-N 2.74Å; S327-G329 PolarHBondContact O-N 3.01Å; S327-C330 PolarHBondContact O-N 2.97Å
328	P	27.5	Very low	47.1	Very low	142 Å²	142	101.6 Å²	101.6	92%	0.922	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	100.2	174.4	25.3	-30	0	0	0	108.6
329	G	28.6	Very low	50	Low	69 Å²	69	100.9 Å²	100.9	71%	0.711	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.2	-13	-175.5	0	0	0	0	0	115.8	S327 R331	S327-G329 PolarHBondContact O-N 3.01Å; G329-R331 PolarHBondContact O-N 3Å
330	C	32.9	Very low	53.2	Low	82 Å²	82	94 Å²	94	55%	0.554	53%	0.527	S	S	*	.			trans	-71.6	97.5	170.8	-155.2	0	0	0	0	109.1	S327 E332	S327-C330 PolarHBondContact O-N 2.97Å; C330-E332 PolarHBondContact O-N 3.43Å
331	R	40.8	Very low	56.3	Low	187 Å²	187	91.6 Å²	91.6	71%	0.706	51%	0.511	S	S	*	.			trans	-66	100.4	171.7	-72.9	-174.9	174.9	-168.3	-2.2	108.2	G329 R333	G329-R331 PolarHBondContact O-N 3Å; R331-R333 PolarHBondContact O-N 3.09Å; R331-R333 VanDerWaalsContact O-N 3.1Å
332	E	57	Low	59.6	Low	73 Å²	73	89.2 Å²	89.2	34%	0.341	49%	0.491	S	S	.	.			trans	-65.9	107.1	175.4	-68.9	162.8	177.4	0	0	109.2	C330 F351 L370	C330-E332 PolarHBondContact O-N 3.43Å; E332-F351 WeakPolarHBondContact OE2-CE1 3.34Å; E332-F351 WeakPolarHBondContact OE2-CZ 3.45Å; E332-L370 HydrophobicContact CB-CD1 3.96Å; E332-L370 HydrophobicContact CB-CG 4.28Å
333	R	74.9	Confident	62.7	Low	198 Å²	198	83.4 Å²	83.4	75%	0.747	46%	0.455	S	S	*	.			trans	-85.9	149.1	-179.5	-71.4	-179.8	176.6	154.1	-1.2	110.6	R331 L335 G369 L370	R331-R333 PolarHBondContact O-N 3.09Å; R331-R333 VanDerWaalsContact O-N 3.1Å; R333-L335 PolarHBondContact O-N 2.85Å; R333-G369 WeakPolarHBondContact O-CA 3.4Å; R333-L370 PolarHBondContact O-N 3.33Å
334	F	84.4	Confident	65.8	Low	116 Å²	116	79.1 Å²	79.1	51%	0.509	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-62.6	133.3	163.5	-71.9	-76.1	0	0	0	109.3	E336 L370	F334-E336 PolarHBondContact O-N 3.07Å; F334-L370 CarbonylContact C-O 3.42Å; F334-L370 WeakPolarHBondContact CA-O 3.47Å; F334-L370 HydrophobicContact CD1-CB 4.33Å
335	L	88.1	Confident	68.6	Low	4 Å²	4	75.6 Å²	75.6	2%	0.021	40%	0.396	C	S	.	.			trans	-77	115.6	177.3	-179.4	57.9	0	0	0	109	R333 H337 I343 N362 E367 L370 F371	R333-L335 PolarHBondContact O-N 2.85Å; L335-H337 PolarHBondContact O-N 3.35Å; L335-H337 PolarHBondContact O-ND1 3.04Å; L335-I343 HydrophobicContact CD2-CD1 3.93Å; L335-I343 HydrophobicContact CD2-CG1 4.31Å; L335-I343 HydrophobicContact CD2-CG2 3.9Å; L335-N362 HydrophobicContact CD1-CB 3.91Å; L335-N362 HydrophobicContact CD2-CB 4.1Å; L335-N362 HydrophobicContact CG-CB 4.18Å; L335-E367 HydrophobicContact CD1-CB 4.11Å; L335-E367 WeakPolarHBondContact CD1-O 3.33Å; L335-L370 PolarHBondContact N-O 3.26Å; L335-F371 HydrophobicContact CB-CB 4.3Å; L335-F371 HydrophobicContact CD2-CB 4.46Å
336	E	90.4	Very high	71	Confident	99 Å²	99	74.3 Å²	74.3	46%	0.463	39%	0.388	S	S	.	.			trans	-64.5	131.2	173.1	-159.1	178.2	162.4	0	0	109.7	F334 Y338 N362	F334-E336 PolarHBondContact O-N 3.07Å; E336-Y338 HydrophobicContact CG-CE2 4.24Å; E336-Y338 PolarHBondContact OE1-OH 2.87Å; E336-N362 PolarHBondContact O-ND2 3.02Å; E336-N362 VanDerWaalsContact O-ND2 3.08Å
337	H	91.2	Very high	73.4	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.019	37%	0.365	C	S	.	.			trans	-153.9	151.4	-179.6	60.7	-87.3	0	0	0	110.5	M263 L267 L335 D341 I343	M263-H337 VanDerWaalsContact CE-CD2 3.43Å; M263-H337 WeakPolarHBondContact CE-CD2 3.44Å; M263-H337 WeakPolarHBondContact CE-NE2 3.47Å; M263-H337 HydrophobicContact CG-CB 4.19Å; L267-H337 PolarHBondContact N-O 3.04Å; L267-H337 VanDerWaalsContact N-O 3.11Å; L335-H337 PolarHBondContact O-N 3.35Å; L335-H337 PolarHBondContact O-ND1 3.04Å; H337-D341 WeakPolarHBondContact CA-OD2 3.47Å; H337-D341 HydrophobicContact CB-CB 4.47Å; H337-I343 HydrophobicContact CB-CD1 3.91Å
338	Y	93.4	Very high	75.6	Confident	127 Å²	127	67.7 Å²	67.7	50%	0.498	35%	0.35	S	S	.	.			trans	-121.1	162.5	177.3	-62.7	-86.4	0	0	0	110.6	D266 E336 G340 D341	D266-Y338 VanDerWaalsContact OD1-CA 3.24Å; D266-Y338 WeakPolarHBondContact OD1-CA 3.31Å; E336-Y338 HydrophobicContact CG-CE2 4.24Å; E336-Y338 PolarHBondContact OE1-OH 2.87Å; Y338-G340 PolarHBondContact O-N 2.86Å; Y338-D341 PolarHBondContact N-OD2 2.56Å; Y338-D341 VanDerWaalsContact O-CB 3.3Å; Y338-D341 WeakPolarHBondContact O-CB 3.33Å; Y338-D341 PolarHBondContact O-N 3.46Å
339	V	94.2	Very high	77.5	Confident	86 Å²	86	61.9 Å²	61.9	52%	0.521	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129	172.9	179.1	0	0	0	0	110.1	L264 D266	L264-V339 WeakPolarHBondContact O-CG2 3.25Å; D266-V339 WeakPolarHBondContact OD1-CG2 3.49Å; D266-V339 PolarHBondContact OD1-N 3.37Å
340	G	92.5	Very high	78.8	Confident	24 Å²	24	62 Å²	62	25%	0.247	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-7.6	-178.6	0	0	0	0	0	114.7	M263 Y338	M263-G340 PolarHBondContact O-N 3.32Å; Y338-G340 PolarHBondContact O-N 2.86Å
341	D	95.3	Very high	79.9	Confident	22 Å²	22	61.6 Å²	61.6	12%	0.118	29%	0.29	C	S	.	.			trans	-66.3	147.8	171.7	-78.4	-13.2	0	0	0	111.2	E262 M263 H337 Y338 N362 C364	E262-D341 WeakPolarHBondContact CA-O 3.4Å; M263-D341 HydrophobicContact CG-CB 4.28Å; M263-D341 WeakPolarHBondContact CG-O 3.47Å; M263-D341 PolarHBondContact N-O 2.91Å; H337-D341 WeakPolarHBondContact CA-OD2 3.47Å; H337-D341 HydrophobicContact CB-CB 4.47Å; Y338-D341 PolarHBondContact N-OD2 2.56Å; Y338-D341 VanDerWaalsContact O-CB 3.3Å; Y338-D341 WeakPolarHBondContact O-CB 3.33Å; Y338-D341 PolarHBondContact O-N 3.46Å; D341-N362 PolarHBondContact OD2-ND2 3.39Å; D341-C364 PolarHBondContact OD1-SG 2.67Å
342	Y	96.2	Very high	80.2	Confident	44 Å²	44	59.5 Å²	59.5	17%	0.173	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.3	172.9	-65.7	-78.7	0	0	0	110.2	V260 F261 E262 L363 V379 Q383 T384	V260-Y342 HydrophobicContact CG1-CD1 3.94Å; V260-Y342 HydrophobicContact CG1-CG 4.43Å; F261-Y342 CarbonylContact O-C 3.59Å; F261-Y342 VanDerWaalsContact O-CA 3.23Å; F261-Y342 WeakPolarHBondContact O-CA 3.24Å; E262-Y342 HydrophobicContact CB-CD1 4.04Å; E262-Y342 HydrophobicContact CB-CE1 3.81Å; E262-Y342 HydrophobicContact CG-CD1 4.42Å; E262-Y342 HydrophobicContact CG-CE1 3.92Å; Y342-L363 VanDerWaalsContact O-CB 3.31Å; Y342-L363 WeakPolarHBondContact O-CB 3.39Å; Y342-L363 PolarHBondContact O-N 2.81Å; Y342-V379 HydrophobicContact CD1-CG2 3.91Å; Y342-V379 HydrophobicContact CE1-CG2 3.94Å; Y342-Q383 HydrophobicContact CE1-CG 4.23Å; Y342-Q383 PolarHBondContact OH-NE2 3.27Å; Y342-T384 HydrophobicContact CD1-CG2 3.84Å; Y342-T384 HydrophobicContact CD2-CG2 4.31Å; Y342-T384 HydrophobicContact CE1-CG2 4.44Å; Y342-T384 HydrophobicContact CG-CG2 3.76Å
343	I	93.9	Very high	79.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.2	177	-58.8	-177	0	0	0	109.8	V260 F261 M263 L335 H337 L345 I361 F371	V260-I343 CarbonylContact C-O 3.52Å; V260-I343 WeakPolarHBondContact CA-O 3.42Å; F261-I343 PolarHBondContact N-O 3.41Å; F261-I343 PolarHBondContact O-N 3.46Å; M263-I343 HydrophobicContact CE-CD1 3.99Å; M263-I343 HydrophobicContact CG-CD1 3.65Å; M263-I343 HydrophobicContact CG-CG1 3.84Å; M263-I343 HydrophobicContact SD-CB 4.38Å; M263-I343 HydrophobicContact SD-CD1 3.48Å; M263-I343 WeakPolarHBondContact SD-CD1 3.36Å; M263-I343 HydrophobicContact SD-CG1 3.91Å; L335-I343 HydrophobicContact CD2-CD1 3.93Å; L335-I343 HydrophobicContact CD2-CG1 4.31Å; L335-I343 HydrophobicContact CD2-CG2 3.9Å; H337-I343 HydrophobicContact CB-CD1 3.91Å; I343-L345 PolarHBondContact O-N 3.3Å; I343-I361 CarbonylContact C-O 3.59Å; I343-I361 WeakPolarHBondContact CA-O 3.49Å; I343-F371 HydrophobicContact CB-CE2 4.36Å; I343-F371 HydrophobicContact CD1-CB 3.99Å; I343-F371 HydrophobicContact CD1-CD2 3.79Å; I343-F371 HydrophobicContact CD1-CE2 4.45Å; I343-F371 HydrophobicContact CD1-CG 3.93Å; I343-F371 HydrophobicContact CG2-CD1 3.87Å; I343-F371 HydrophobicContact CG2-CD2 4.13Å; I343-F371 HydrophobicContact CG2-CE1 3.76Å; I343-F371 HydrophobicContact CG2-CE2 4.02Å; I343-F371 HydrophobicContact CG2-CG 4.06Å; I343-F371 HydrophobicContact CG2-CZ 3.83Å
344	L	92.5	Very high	78.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	104.1	171	-177.6	66.6	0	0	0	109.5	R252 L253 Y258 E259 V260 F346 G360 I361 L363	R252-L344 HydrophobicContact CB-CD2 3.66Å; L253-L344 HydrophobicContact CD2-CD1 3.55Å; Y258-L344 VanDerWaalsContact CB-CD1 3.45Å; Y258-L344 HydrophobicContact CD2-CD1 4.13Å; Y258-L344 HydrophobicContact CD2-CD2 3.91Å; Y258-L344 HydrophobicContact CD2-CG 4.06Å; Y258-L344 HydrophobicContact CG-CD1 4.27Å; E259-L344 CarbonylContact O-C 3.45Å; V260-L344 HydrophobicContact CG2-CD1 3.88Å; L344-F346 PolarHBondContact O-N 3.34Å; L344-G360 CarbonylContact O-C 3.46Å; L344-G360 WeakPolarHBondContact O-CA 3.32Å; L344-I361 HydrophobicContact CB-CB 4.36Å; L344-I361 PolarHBondContact N-O 3.18Å; L344-I361 PolarHBondContact O-N 3.49Å; L344-L363 HydrophobicContact CB-CD1 4.3Å; L344-L363 HydrophobicContact CB-CD2 3.96Å; L344-L363 HydrophobicContact CB-CG 4.07Å; L344-L363 HydrophobicContact CD2-CD2 4.23Å
345	L	85.5	Confident	76.5	Confident	6 Å²	6	57 Å²	57	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.9	170.1	174.4	86.5	0	0	0	109.7	E259 F261 I343 P358 F371	E259-L345 HydrophobicContact CB-CB 4.29Å; E259-L345 HydrophobicContact CB-CD2 4.06Å; E259-L345 HydrophobicContact CG-CD2 4.29Å; E259-L345 PolarHBondContact N-O 2.97Å; E259-L345 PolarHBondContact O-N 2.94Å; F261-L345 HydrophobicContact CD2-CB 4.29Å; F261-L345 HydrophobicContact CE2-CB 4.24Å; F261-L345 HydrophobicContact CE2-CD2 4.46Å; I343-L345 PolarHBondContact O-N 3.3Å; L345-P358 HydrophobicContact CD1-CB 3.83Å; L345-F371 HydrophobicContact CB-CE1 4.46Å; L345-F371 HydrophobicContact CB-CZ 4.2Å; L345-F371 HydrophobicContact CD1-CE1 3.83Å; L345-F371 HydrophobicContact CD1-CZ 3.95Å
346	F	80.9	Confident	75	Confident	38 Å²	38	58.4 Å²	58.4	17%	0.167	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-18.8	175.9	71.1	-88.2	0	0	0	114.1	Y258 L344 L359 I361 K585	Y258-F346 HydrophobicContact CD1-CB 4.34Å; Y258-F346 HydrophobicContact CD2-CB 4.22Å; Y258-F346 HydrophobicContact CE1-CB 4.23Å; Y258-F346 HydrophobicContact CE2-CB 3.95Å; Y258-F346 HydrophobicContact CG-CB 4.38Å; L344-F346 PolarHBondContact O-N 3.34Å; F346-L359 HydrophobicContact CE1-CD2 4.14Å; F346-L359 HydrophobicContact CE1-CG 3.83Å; F346-L359 HydrophobicContact CE2-CD2 3.51Å; F346-L359 HydrophobicContact CE2-CG 4.1Å; F346-L359 HydrophobicContact CZ-CB 4.36Å; F346-L359 HydrophobicContact CZ-CD2 3.26Å; F346-L359 HydrophobicContact CZ-CG 3.46Å; F346-L359 VanDerWaalsContact CZ-CG 3.46Å; F346-L359 PolarHBondContact N-O 3.13Å; F346-L359 VanDerWaalsContact N-O 3.1Å; F346-I361 HydrophobicContact CD1-CD1 4.16Å; F346-I361 HydrophobicContact CD1-CG1 3.75Å; F346-I361 HydrophobicContact CE1-CD1 4.24Å; F346-I361 HydrophobicContact CE1-CG1 3.62Å; F346-K585 PolarHBondContact O-NZ 3.24Å
347	D	75.9	Confident	73.8	Confident	69 Å²	69	54.9 Å²	54.9	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-177.9	-180	-146	-20.9	0	0	0	113	L359	D347-L359 HydrophobicContact CB-CB 4.15Å; D347-L359 HydrophobicContact CB-CD2 4.19Å; D347-L359 PolarHBondContact N-O 3.47Å; D347-L359 PolarHBondContact O-N 3.08Å
348	S	72.6	Confident	72.9	Confident	32 Å²	32	55.7 Å²	55.7	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141	168.2	65.2	0	0	0	0	112	C357	S348-C357 CarbonylContact C-O 3.48Å; S348-C357 WeakPolarHBondContact CA-O 3.29Å; S348-C357 WeakPolarHBondContact CB-O 3.21Å
349	V	65.9	Low	72.3	Confident	20 Å²	20	50.5 Å²	50.5	12%	0.121	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	156.5	177.9	-62.7	0	0	0	0	111.4	F351 G356 C357 L370	V349-F351 HydrophobicContact CG2-CE1 4.48Å; V349-F351 HydrophobicContact CG2-CE2 3.71Å; V349-F351 HydrophobicContact CG2-CZ 3.62Å; V349-G356 CarbonylContact O-C 3.44Å; V349-G356 WeakPolarHBondContact O-CA 3.24Å; V349-G356 PolarHBondContact O-N 3.44Å; V349-C357 HydrophobicContact CG2-CB 4.05Å; V349-C357 PolarHBondContact N-O 2.93Å; V349-C357 PolarHBondContact O-N 3.02Å; V349-L370 HydrophobicContact CG2-CD2 3.46Å; V349-L370 VanDerWaalsContact CG2-CD2 3.46Å
350	S	56.2	Low	71.9	Confident	71 Å²	71	46.4 Å²	46.4	50%	0.497	25%	0.247	S	C	.	.			trans	-117.1	123.3	179	-66	0	0	0	0	111.5	G356	S350-G356 PolarHBondContact OG-N 2.83Å
351	F	55.7	Low	71.9	Confident	74 Å²	74	46.2 Å²	46.2	33%	0.325	24%	0.241	S	C	.	.			trans	-98.6	160.7	171.9	-55.6	-74.8	0	0	0	110.8	E332 V349 E353 R354 C357 L370	E332-F351 WeakPolarHBondContact OE2-CE1 3.34Å; E332-F351 WeakPolarHBondContact OE2-CZ 3.45Å; V349-F351 HydrophobicContact CG2-CE1 4.48Å; V349-F351 HydrophobicContact CG2-CE2 3.71Å; V349-F351 HydrophobicContact CG2-CZ 3.62Å; F351-E353 PolarHBondContact O-N 3.22Å; F351-R354 WeakPolarHBondContact CA-O 3.39Å; F351-R354 WeakPolarHBondContact CB-O 3.46Å; F351-R354 WeakPolarHBondContact CD2-O 3.08Å; F351-R354 PolarHBondContact N-O 3.22Å; F351-R354 CarbonylContact O-C 3.55Å; F351-R354 PolarHBondContact O-N 3.11Å; F351-C357 HydrophobicContact CD2-CB 4.08Å; F351-C357 WeakPolarHBondContact CD2-SG 3.36Å; F351-C357 HydrophobicContact CE2-CB 3.59Å; F351-C357 VanDerWaalsContact CE2-SG 3.54Å; F351-L370 HydrophobicContact CE2-CD1 3.96Å; F351-L370 HydrophobicContact CE2-CD2 4.46Å; F351-L370 HydrophobicContact CZ-CD1 3.57Å; F351-L370 HydrophobicContact CZ-CD2 4.35Å
352	N	46.9	Very low	71.8	Confident	143 Å²	143	45.1 Å²	45.1	77%	0.765	24%	0.235	S	C	*	.	S	Bend	trans	-50.5	-29.3	177.7	-69.8	-9.1	0	0	0	113.6
353	E	48.9	Very low	71.7	Confident	92 Å²	92	44 Å²	44	43%	0.43	23%	0.231	S	C	.	.	S	Bend	trans	-117.4	-12.8	-175.4	-58.9	176.1	160.9	0	0	113.9	F351 Y510	F351-E353 PolarHBondContact O-N 3.22Å; E353-Y510 HydrophobicContact CB-CD2 3.92Å; E353-Y510 HydrophobicContact CB-CE2 4.23Å; E353-Y510 VanDerWaalsContact CD-CE2 3.41Å; E353-Y510 HydrophobicContact CG-CD2 3.68Å; E353-Y510 HydrophobicContact CG-CE2 4.22Å; E353-Y510 WeakPolarHBondContact OE1-CD2 3.24Å; E353-Y510 WeakPolarHBondContact OE2-CD2 3.26Å; E353-Y510 WeakPolarHBondContact OE2-CE2 3.29Å
354	R	42.6	Very low	71.6	Confident	163 Å²	163	46.1 Å²	46.1	62%	0.615	25%	0.246	S	C	*	.			trans	-146.1	111.2	-178.6	-69.8	-172.8	-177.2	172.2	1.8	110.1	F351	F351-R354 WeakPolarHBondContact CA-O 3.39Å; F351-R354 WeakPolarHBondContact CB-O 3.46Å; F351-R354 WeakPolarHBondContact CD2-O 3.08Å; F351-R354 PolarHBondContact N-O 3.22Å; F351-R354 CarbonylContact O-C 3.55Å; F351-R354 PolarHBondContact O-N 3.11Å
355	Q	48.6	Very low	71.6	Confident	78 Å²	78	47.6 Å²	47.6	36%	0.364	26%	0.255	S	S	.	.			trans	-101	145.5	179.7	-61.4	-157.7	23.3	0	0	112.2	W598	Q355-W598 HydrophobicContact CB-CD2 4.29Å; Q355-W598 HydrophobicContact CB-CG 3.83Å; Q355-W598 VanDerWaalsContact CD-CE2 3.5Å
356	G	55.7	Low	71.8	Confident	34 Å²	34	47.5 Å²	47.5	35%	0.351	26%	0.255	S	S	.	.	S	Bend	trans	77.9	27.3	179.7	0	0	0	0	0	114.8	V349 S350	V349-G356 CarbonylContact O-C 3.44Å; V349-G356 WeakPolarHBondContact O-CA 3.24Å; V349-G356 PolarHBondContact O-N 3.44Å; S350-G356 PolarHBondContact OG-N 2.83Å
357	C	65.5	Low	72.3	Confident	25 Å²	25	49.1 Å²	49.1	17%	0.169	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	126.3	176.4	-73.3	0	0	0	0	110.7	S348 V349 F351 L359 L370	S348-C357 CarbonylContact C-O 3.48Å; S348-C357 WeakPolarHBondContact CA-O 3.29Å; S348-C357 WeakPolarHBondContact CB-O 3.21Å; V349-C357 HydrophobicContact CG2-CB 4.05Å; V349-C357 PolarHBondContact N-O 2.93Å; V349-C357 PolarHBondContact O-N 3.02Å; F351-C357 HydrophobicContact CD2-CB 4.08Å; F351-C357 WeakPolarHBondContact CD2-SG 3.36Å; F351-C357 HydrophobicContact CE2-CB 3.59Å; F351-C357 VanDerWaalsContact CE2-SG 3.54Å; C357-L359 PolarHBondContact O-N 3.36Å; C357-L370 HydrophobicContact CB-CD2 4.2Å
358	P	73.2	Confident	73	Confident	22 Å²	22	49.5 Å²	49.5	14%	0.143	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.5	-172.3	-11.3	23.9	0	0	0	112.2	L345 L370 F371 I373	L345-P358 HydrophobicContact CD1-CB 3.83Å; P358-L370 WeakPolarHBondContact O-CA 3.23Å; P358-F371 HydrophobicContact CB-CD1 3.92Å; P358-F371 HydrophobicContact CB-CE1 3.59Å; P358-F371 HydrophobicContact CB-CZ 4Å; P358-F371 WeakPolarHBondContact CD-O 3.27Å; P358-F371 VanDerWaalsContact CG-O 3.22Å; P358-F371 WeakPolarHBondContact CG-O 3.4Å; P358-F371 PolarHBondContact O-N 3.21Å; P358-I373 HydrophobicContact CG-CB 3.91Å; P358-I373 HydrophobicContact CG-CG2 4.02Å
359	L	79.7	Confident	73.7	Confident	17 Å²	17	48.2 Å²	48.2	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.4	172.2	-167.1	71.7	0	0	0	109.7	F346 D347 C357 L370	F346-L359 HydrophobicContact CE1-CD2 4.14Å; F346-L359 HydrophobicContact CE1-CG 3.83Å; F346-L359 HydrophobicContact CE2-CD2 3.51Å; F346-L359 HydrophobicContact CE2-CG 4.1Å; F346-L359 HydrophobicContact CZ-CB 4.36Å; F346-L359 HydrophobicContact CZ-CD2 3.26Å; F346-L359 HydrophobicContact CZ-CG 3.46Å; F346-L359 VanDerWaalsContact CZ-CG 3.46Å; F346-L359 PolarHBondContact N-O 3.13Å; F346-L359 VanDerWaalsContact N-O 3.1Å; D347-L359 HydrophobicContact CB-CB 4.15Å; D347-L359 HydrophobicContact CB-CD2 4.19Å; D347-L359 PolarHBondContact N-O 3.47Å; D347-L359 PolarHBondContact O-N 3.08Å; C357-L359 PolarHBondContact O-N 3.36Å; L359-L370 HydrophobicContact CD1-CD2 4.08Å
360	G	86.3	Confident	74.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	168.3	-174.9	0	0	0	0	0	113.8	L344 S368 G369	L344-G360 CarbonylContact O-C 3.46Å; L344-G360 WeakPolarHBondContact O-CA 3.32Å; G360-S368 CarbonylContact O-C 3.59Å; G360-S368 WeakPolarHBondContact O-CA 3.4Å; G360-G369 PolarHBondContact N-O 2.9Å; G360-G369 PolarHBondContact O-N 3.43Å
361	I	91.8	Very high	75.6	Confident	20 Å²	20	44.8 Å²	44.8	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.1	170	-58.2	173.8	0	0	0	107.8	I343 L344 F346 L363 E367	I343-I361 CarbonylContact C-O 3.59Å; I343-I361 WeakPolarHBondContact CA-O 3.49Å; L344-I361 HydrophobicContact CB-CB 4.36Å; L344-I361 PolarHBondContact N-O 3.18Å; L344-I361 PolarHBondContact O-N 3.49Å; F346-I361 HydrophobicContact CD1-CD1 4.16Å; F346-I361 HydrophobicContact CD1-CG1 3.75Å; F346-I361 HydrophobicContact CE1-CD1 4.24Å; F346-I361 HydrophobicContact CE1-CG1 3.62Å; I361-L363 PolarHBondContact O-N 2.91Å; I361-E367 CarbonylContact C-O 3.5Å; I361-E367 VanDerWaalsContact CA-O 3.24Å; I361-E367 WeakPolarHBondContact CA-O 3.23Å
362	N	93.6	Very high	76.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	113.6	171	-176.5	-22.7	0	0	0	108	L335 E336 D341 C364 T365 G366 E367	L335-N362 HydrophobicContact CD1-CB 3.91Å; L335-N362 HydrophobicContact CD2-CB 4.1Å; L335-N362 HydrophobicContact CG-CB 4.18Å; E336-N362 PolarHBondContact O-ND2 3.02Å; E336-N362 VanDerWaalsContact O-ND2 3.08Å; D341-N362 PolarHBondContact OD2-ND2 3.39Å; N362-C364 PolarHBondContact O-N 3.41Å; N362-C364 WeakPolarHBondContact OD1-CA 3.23Å; N362-C364 VanDerWaalsContact OD1-CB 3.26Å; N362-C364 WeakPolarHBondContact OD1-CB 3.47Å; N362-C364 PolarHBondContact OD1-N 3.16Å; N362-T365 WeakPolarHBondContact CB-OG1 3.33Å; N362-T365 PolarHBondContact O-N 3.48Å; N362-G366 VanDerWaalsContact O-CA 3.31Å; N362-G366 WeakPolarHBondContact O-CA 3.44Å; N362-G366 PolarHBondContact O-N 2.69Å; N362-E367 PolarHBondContact N-O 2.81Å
363	L	93.5	Very high	78	Confident	19 Å²	19	40.6 Å²	40.6	10%	0.099	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.9	-179.4	-63.1	176.8	0	0	0	112.4	R60 L253 V260 Y342 L344 I361 T384	R60-L363 PolarHBondContact NH2-O 2.94Å; L253-L363 HydrophobicContact CD2-CD1 4.4Å; V260-L363 HydrophobicContact CG2-CD1 4.45Å; Y342-L363 VanDerWaalsContact O-CB 3.31Å; Y342-L363 WeakPolarHBondContact O-CB 3.39Å; Y342-L363 PolarHBondContact O-N 2.81Å; L344-L363 HydrophobicContact CB-CD1 4.3Å; L344-L363 HydrophobicContact CB-CD2 3.96Å; L344-L363 HydrophobicContact CB-CG 4.07Å; L344-L363 HydrophobicContact CD2-CD2 4.23Å; I361-L363 PolarHBondContact O-N 2.91Å; L363-T384 HydrophobicContact CD1-CG2 3.94Å
364	C	92.3	Very high	79.3	Confident	45 Å²	45	40.8 Å²	40.8	30%	0.304	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-48.2	168.5	-62.7	0	0	0	0	109.8	S59 R60 D341 N362	S59-C364 PolarHBondContact OG-O 3.3Å; R60-C364 WeakPolarHBondContact CG-O 3.31Å; R60-C364 PolarHBondContact NE-O 2.72Å; R60-C364 VanDerWaalsContact NE-O 3.12Å; D341-C364 PolarHBondContact OD1-SG 2.67Å; N362-C364 PolarHBondContact O-N 3.41Å; N362-C364 WeakPolarHBondContact OD1-CA 3.23Å; N362-C364 VanDerWaalsContact OD1-CB 3.26Å; N362-C364 WeakPolarHBondContact OD1-CB 3.47Å; N362-C364 PolarHBondContact OD1-N 3.16Å
365	T	92	Very high	81	Confident	32 Å²	32	33.5 Å²	33.5	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-16.4	-170.7	67	0	0	0	0	115.4	S59 R60 N362 E367	S59-T365 WeakPolarHBondContact O-CA 3.36Å; S59-T365 WeakPolarHBondContact O-CB 3.47Å; R60-T365 WeakPolarHBondContact CA-O 3.48Å; N362-T365 WeakPolarHBondContact CB-OG1 3.33Å; N362-T365 PolarHBondContact O-N 3.48Å; T365-E367 PolarHBondContact O-N 2.76Å; T365-E367 PolarHBondContact OG1-N 2.56Å
366	G	90.9	Very high	82.5	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.031	19%	0.194	C	C	.	.			trans	73.9	0.7	-173.9	0	0	0	0	0	114.5	D63 N362	D63-G366 WeakPolarHBondContact OD2-CA 3.31Å; N362-G366 VanDerWaalsContact O-CA 3.31Å; N362-G366 WeakPolarHBondContact O-CA 3.44Å; N362-G366 PolarHBondContact O-N 2.69Å
367	E	91.1	Very high	83.8	Confident	72 Å²	72	34.4 Å²	34.4	34%	0.336	20%	0.199	S	C	.	.			trans	-82.3	151.8	-179.1	-60.5	-164.7	147.1	0	0	112	N62 L335 I361 N362 T365	N62-E367 PolarHBondContact ND2-OE1 3.03Å; L335-E367 HydrophobicContact CD1-CB 4.11Å; L335-E367 WeakPolarHBondContact CD1-O 3.33Å; I361-E367 CarbonylContact C-O 3.5Å; I361-E367 VanDerWaalsContact CA-O 3.24Å; I361-E367 WeakPolarHBondContact CA-O 3.23Å; N362-E367 PolarHBondContact N-O 2.81Å; T365-E367 PolarHBondContact O-N 2.76Å; T365-E367 PolarHBondContact OG1-N 2.56Å
368	S	89.6	Confident	84.8	Confident	77 Å²	77	36.5 Å²	36.5	54%	0.538	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.4	179.1	62.8	0	0	0	0	112	G360	G360-S368 CarbonylContact O-C 3.59Å; G360-S368 WeakPolarHBondContact O-CA 3.4Å
369	G	86.9	Confident	85.6	Confident	5 Å²	5	35.7 Å²	35.7	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-176.4	176.6	0	0	0	0	0	113.7	R333 G360	R333-G369 WeakPolarHBondContact O-CA 3.4Å; G360-G369 PolarHBondContact N-O 2.9Å; G360-G369 PolarHBondContact O-N 3.43Å
370	L	82.5	Confident	86	Confident	13 Å²	13	35.2 Å²	35.2	7%	0.068	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.4	177.9	-59.9	170.8	0	0	0	110.3	E332 R333 F334 L335 V349 F351 C357 P358 L359	E332-L370 HydrophobicContact CB-CD1 3.96Å; E332-L370 HydrophobicContact CB-CG 4.28Å; R333-L370 PolarHBondContact O-N 3.33Å; F334-L370 CarbonylContact C-O 3.42Å; F334-L370 WeakPolarHBondContact CA-O 3.47Å; F334-L370 HydrophobicContact CD1-CB 4.33Å; L335-L370 PolarHBondContact N-O 3.26Å; V349-L370 HydrophobicContact CG2-CD2 3.46Å; V349-L370 VanDerWaalsContact CG2-CD2 3.46Å; F351-L370 HydrophobicContact CE2-CD1 3.96Å; F351-L370 HydrophobicContact CE2-CD2 4.46Å; F351-L370 HydrophobicContact CZ-CD1 3.57Å; F351-L370 HydrophobicContact CZ-CD2 4.35Å; C357-L370 HydrophobicContact CB-CD2 4.2Å; P358-L370 WeakPolarHBondContact O-CA 3.23Å; L359-L370 HydrophobicContact CD1-CD2 4.08Å
371	F	80.2	Confident	86.3	Confident	6 Å²	6	36 Å²	36	3%	0.026	20%	0.2	C	C	.	.			trans	-133.8	155.5	175.4	75.8	-73.4	0	0	0	111.2	F261 M263 L335 I343 L345 P358 I373	F261-F371 HydrophobicContact CB-CE2 4.35Å; F261-F371 HydrophobicContact CD2-CE2 4.5Å; F261-F371 HydrophobicContact CD2-CZ 4.35Å; F261-F371 HydrophobicContact CG-CE2 4.29Å; M263-F371 HydrophobicContact CE-CD2 4.19Å; M263-F371 HydrophobicContact SD-CD2 4.34Å; L335-F371 HydrophobicContact CB-CB 4.3Å; L335-F371 HydrophobicContact CD2-CB 4.46Å; I343-F371 HydrophobicContact CB-CE2 4.36Å; I343-F371 HydrophobicContact CD1-CB 3.99Å; I343-F371 HydrophobicContact CD1-CD2 3.79Å; I343-F371 HydrophobicContact CD1-CE2 4.45Å; I343-F371 HydrophobicContact CD1-CG 3.93Å; I343-F371 HydrophobicContact CG2-CD1 3.87Å; I343-F371 HydrophobicContact CG2-CD2 4.13Å; I343-F371 HydrophobicContact CG2-CE1 3.76Å; I343-F371 HydrophobicContact CG2-CE2 4.02Å; I343-F371 HydrophobicContact CG2-CG 4.06Å; I343-F371 HydrophobicContact CG2-CZ 3.83Å; L345-F371 HydrophobicContact CB-CE1 4.46Å; L345-F371 HydrophobicContact CB-CZ 4.2Å; L345-F371 HydrophobicContact CD1-CE1 3.83Å; L345-F371 HydrophobicContact CD1-CZ 3.95Å; P358-F371 HydrophobicContact CB-CD1 3.92Å; P358-F371 HydrophobicContact CB-CE1 3.59Å; P358-F371 HydrophobicContact CB-CZ 4Å; P358-F371 WeakPolarHBondContact CD-O 3.27Å; P358-F371 VanDerWaalsContact CG-O 3.22Å; P358-F371 WeakPolarHBondContact CG-O 3.4Å; P358-F371 PolarHBondContact O-N 3.21Å; F371-I373 PolarHBondContact O-N 3.47Å
372	N	77.1	Confident	86.3	Confident	81 Å²	81	35.5 Å²	35.5	43%	0.433	20%	0.197	S	C	.	.			trans	-81	114.3	172.6	-174.8	1.7	0	0	0	109.3	S374 A375	N372-S374 VanDerWaalsContact CG-OG 3.3Å; N372-S374 PolarHBondContact ND2-OG 3.2Å; N372-S374 PolarHBondContact O-N 2.86Å; N372-S374 PolarHBondContact OD1-N 2.78Å; N372-S374 PolarHBondContact OD1-OG 3.24Å; N372-A375 HydrophobicContact CB-CB 4.1Å; N372-A375 VanDerWaalsContact O-CB 3.32Å; N372-A375 WeakPolarHBondContact O-CB 3.29Å; N372-A375 PolarHBondContact O-N 2.87Å; N372-A375 VanDerWaalsContact O-N 3.14Å
373	I	76.2	Confident	86.2	Confident	49 Å²	49	39.2 Å²	39.2	25%	0.251	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-60.5	-33.1	174.9	-176.8	157.1	0	0	0	113.1	F261 P358 F371 A375 G376	F261-I373 HydrophobicContact CD1-CD1 4.38Å; F261-I373 HydrophobicContact CD1-CG1 3.98Å; F261-I373 HydrophobicContact CE1-CD1 3.51Å; F261-I373 HydrophobicContact CE1-CG1 3.45Å; F261-I373 VanDerWaalsContact CE1-CG1 3.45Å; F261-I373 HydrophobicContact CE2-CD1 4.09Å; F261-I373 HydrophobicContact CZ-CD1 3.37Å; F261-I373 HydrophobicContact CZ-CG1 3.86Å; P358-I373 HydrophobicContact CG-CB 3.91Å; P358-I373 HydrophobicContact CG-CG2 4.02Å; F371-I373 PolarHBondContact O-N 3.47Å; I373-A375 PolarHBondContact O-N 3.27Å; I373-G376 PolarHBondContact O-N 2.8Å; I373-G376 VanDerWaalsContact O-N 3.15Å; I373-G376 VanDerWaalsContact O-O 3.13Å
374	S	75.2	Confident	86.3	Confident	96 Å²	96	39.7 Å²	39.7	67%	0.671	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-72.6	-10.6	-179.2	77.8	0	0	0	0	113.1	N372 G376	N372-S374 VanDerWaalsContact CG-OG 3.3Å; N372-S374 PolarHBondContact ND2-OG 3.2Å; N372-S374 PolarHBondContact O-N 2.86Å; N372-S374 PolarHBondContact OD1-N 2.78Å; N372-S374 PolarHBondContact OD1-OG 3.24Å; S374-G376 VanDerWaalsContact C-N 3.26Å
375	A	79	Confident	86.4	Confident	9 Å²	9	38.8 Å²	38.8	7%	0.074	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-78.5	-11.2	173.1	0	0	0	0	0	112.6	M263 L264 T265 N372 I373	M263-A375 HydrophobicContact CE-CB 3.59Å; L264-A375 PolarHBondContact N-O 3.15Å; T265-A375 PolarHBondContact N-O 3.49Å; T265-A375 WeakPolarHBondContact OG1-CB 3.48Å; N372-A375 HydrophobicContact CB-CB 4.1Å; N372-A375 VanDerWaalsContact O-CB 3.32Å; N372-A375 WeakPolarHBondContact O-CB 3.29Å; N372-A375 PolarHBondContact O-N 2.87Å; N372-A375 VanDerWaalsContact O-N 3.14Å; I373-A375 PolarHBondContact O-N 3.27Å
376	G	80.5	Confident	86.7	Confident	14 Å²	14	38.8 Å²	38.8	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	174.3	179.8	0	0	0	0	0	113.3	E262 I373 S374	E262-G376 CarbonylContact O-C 3.56Å; E262-G376 WeakPolarHBondContact O-CA 3.39Å; I373-G376 PolarHBondContact O-N 2.8Å; I373-G376 VanDerWaalsContact O-N 3.15Å; I373-G376 VanDerWaalsContact O-O 3.13Å; S374-G376 VanDerWaalsContact C-N 3.26Å
377	R	83.5	Confident	86.9	Confident	118 Å²	118	42.1 Å²	42.1	45%	0.445	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.7	169.6	63.9	177	179.8	-121.8	3.1	110.1	F261 E262 L264 V379	F261-R377 CarbonylContact C-O 3.55Å; F261-R377 VanDerWaalsContact CA-O 3.24Å; F261-R377 WeakPolarHBondContact CA-O 3.37Å; E262-R377 HydrophobicContact CB-CG 4.23Å; E262-R377 PolarHBondContact N-O 2.77Å; E262-R377 PolarHBondContact O-N 3.27Å; E262-R377 IonicContact OE1-CZ 2.68Å; E262-R377 IonicContact OE1-NH2 2.94Å; E262-R377 PolarHBondContact OE1-NH2 3.35Å; E262-R377 IonicContact OE2-CZ 3.72Å; E262-R377 VanDerWaalsContact OE2-CZ 3.24Å; E262-R377 IonicContact OE2-NE 3.98Å; E262-R377 PolarHBondContact OE2-NE 3.31Å; E262-R377 IonicContact OE2-NH2 3.97Å; E262-R377 PolarHBondContact OE2-NH2 3.5Å; L264-R377 HydrophobicContact CD1-CB 4.12Å; L264-R377 HydrophobicContact CD1-CG 4.15Å; L264-R377 HydrophobicContact CD2-CG 4.16Å; L264-R377 HydrophobicContact CG-CG 4.33Å; R377-V379 HydrophobicContact CG-CG1 4.08Å; R377-V379 PolarHBondContact O-N 2.64Å
378	R	85.5	Confident	87.2	Confident	69 Å²	69	39 Å²	39	26%	0.26	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.2	171.3	-169.7	-180	170	171.5	-0.5	109.2	W101 D106 E259 V260 F261	W101-R378 HydrophobicContact CD2-CG 4.31Å; W101-R378 VanDerWaalsContact CD2-NE 3.3Å; W101-R378 HydrophobicContact CE3-CB 4.35Å; W101-R378 HydrophobicContact CE3-CG 4.03Å; W101-R378 HydrophobicContact CH2-CB 4.1Å; W101-R378 HydrophobicContact CH2-CG 3.61Å; W101-R378 WeakPolarHBondContact CH2-O 3.33Å; W101-R378 HydrophobicContact CZ2-CG 3.89Å; W101-R378 HydrophobicContact CZ3-CB 3.81Å; W101-R378 HydrophobicContact CZ3-CG 3.67Å; W101-R378 VanDerWaalsContact NE1-CZ 3.34Å; D106-R378 IonicContact OD2-NH2 3.62Å; D106-R378 PolarHBondContact OD2-NH2 3.19Å; E259-R378 IonicContact OE1-NH1 2.88Å; E259-R378 IonicContact OE2-NH1 3.52Å; V260-R378 CarbonylContact O-C 3.59Å; V260-R378 WeakPolarHBondContact O-CA 3.23Å; F261-R378 HydrophobicContact CD1-CB 4.42Å; F261-R378 HydrophobicContact CE1-CB 3.83Å; F261-R378 HydrophobicContact CE2-CB 4.47Å; F261-R378 HydrophobicContact CE2-CG 4.44Å; F261-R378 HydrophobicContact CZ-CB 3.82Å; F261-R378 HydrophobicContact CZ-CG 4.18Å
379	V	89.4	Confident	87.5	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.8	177.6	-66.3	0	0	0	0	110.3	W101 V260 E262 Y342 R377 Q381	W101-V379 VanDerWaalsContact CH2-C 3.44Å; V260-V379 HydrophobicContact CB-CG2 4.08Å; V260-V379 HydrophobicContact CG1-CG2 3.61Å; V260-V379 PolarHBondContact O-N 3.27Å; E262-V379 HydrophobicContact CB-CG1 3.65Å; E262-V379 HydrophobicContact CB-CG2 4.23Å; Y342-V379 HydrophobicContact CD1-CG2 3.91Å; Y342-V379 HydrophobicContact CE1-CG2 3.94Å; R377-V379 HydrophobicContact CG-CG1 4.08Å; R377-V379 PolarHBondContact O-N 2.64Å; V379-Q381 PolarHBondContact O-N 3.23Å
380	P	89.4	Confident	87.8	Confident	7 Å²	7	38.9 Å²	38.9	5%	0.045	21%	0.209	C	C	.	.			trans	-53.8	135	171.6	-27.6	37.4	0	0	0	111.2	R96 W101 C105 S382 Q383	R96-P380 VanDerWaalsContact CZ-CG 3.43Å; R96-P380 VanDerWaalsContact NH2-CG 3.28Å; W101-P380 HydrophobicContact CZ2-CG 4.45Å; C105-P380 VanDerWaalsContact O-CB 3.24Å; C105-P380 WeakPolarHBondContact O-CB 3.4Å; C105-P380 WeakPolarHBondContact O-CG 3.33Å; P380-S382 PolarHBondContact O-N 2.99Å; P380-S382 VanDerWaalsContact O-N 3.11Å; P380-Q383 VanDerWaalsContact O-CB 3.24Å; P380-Q383 WeakPolarHBondContact O-CB 3.47Å; P380-Q383 PolarHBondContact O-N 3.1Å
381	Q	91.3	Very high	88.3	Confident	17 Å²	17	38.9 Å²	38.9	8%	0.079	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-51	-39.1	172	-67.3	-168.7	5.2	0	0	111.9	D106 L253 Y258 V260 V379 Q383 T384 W385	D106-Q381 HydrophobicContact CB-CB 4.22Å; D106-Q381 HydrophobicContact CB-CG 4.11Å; D106-Q381 PolarHBondContact OD1-N 3.36Å; D106-Q381 VanDerWaalsContact OD1-N 3.09Å; L253-Q381 HydrophobicContact CD2-CB 4.3Å; L253-Q381 HydrophobicContact CD2-CG 4.12Å; L253-Q381 PolarHBondContact O-OE1 3.03Å; Y258-Q381 PolarHBondContact O-NE2 3.18Å; V260-Q381 HydrophobicContact CG2-CB 4.47Å; V260-Q381 HydrophobicContact CG2-CG 4.01Å; V379-Q381 PolarHBondContact O-N 3.23Å; Q381-Q383 PolarHBondContact O-N 3.16Å; Q381-T384 WeakPolarHBondContact O-CB 3.15Å; Q381-T384 PolarHBondContact O-N 2.78Å; Q381-T384 PolarHBondContact O-OG1 3.48Å; Q381-W385 VanDerWaalsContact O-CD1 3.31Å
382	S	92	Very high	88.6	Confident	8 Å²	8	41.1 Å²	41.1	6%	0.056	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60.9	-14.2	179.3	66.1	0	0	0	0	116.2	D106 H107 R108 P380 T384 W385	D106-S382 WeakPolarHBondContact O-CB 3.14Å; D106-S382 PolarHBondContact O-N 3.37Å; D106-S382 PolarHBondContact O-OG 2.98Å; D106-S382 VanDerWaalsContact O-OG 3.05Å; H107-S382 VanDerWaalsContact C-OG 3.28Å; H107-S382 PolarHBondContact O-OG 3.24Å; R108-S382 VanDerWaalsContact CG-CB 3.43Å; R108-S382 PolarHBondContact N-OG 3.1Å; R108-S382 PolarHBondContact NH1-O 3.23Å; P380-S382 PolarHBondContact O-N 2.99Å; P380-S382 VanDerWaalsContact O-N 3.11Å; S382-T384 VanDerWaalsContact C-N 3.26Å; S382-W385 PolarHBondContact O-N 3.45Å
383	Q	92.1	Very high	88.9	Confident	78 Å²	78	38.3 Å²	38.3	36%	0.364	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-70.2	-24.9	171.9	-168.3	169.8	-36.5	0	0	112	E262 Y342 P380 Q381 W385	E262-Q383 PolarHBondContact OE2-NE2 3.35Å; E262-Q383 VanDerWaalsContact OE2-NE2 3.15Å; Y342-Q383 HydrophobicContact CE1-CG 4.23Å; Y342-Q383 PolarHBondContact OH-NE2 3.27Å; P380-Q383 VanDerWaalsContact O-CB 3.24Å; P380-Q383 WeakPolarHBondContact O-CB 3.47Å; P380-Q383 PolarHBondContact O-N 3.1Å; Q381-Q383 PolarHBondContact O-N 3.16Å; Q383-W385 VanDerWaalsContact C-N 3.34Å
384	T	94.6	Very high	88.7	Confident	30 Å²	30	40 Å²	40	18%	0.184	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-87	-1.5	178.5	67.6	0	0	0	0	114.1	L253 V260 Y342 L363 Q381 S382	L253-T384 VanDerWaalsContact CD1-OG1 3.22Å; L253-T384 WeakPolarHBondContact CD1-OG1 3.24Å; V260-T384 HydrophobicContact CG1-CG2 3.62Å; V260-T384 HydrophobicContact CG2-CG2 4.43Å; Y342-T384 HydrophobicContact CD1-CG2 3.84Å; Y342-T384 HydrophobicContact CD2-CG2 4.31Å; Y342-T384 HydrophobicContact CE1-CG2 4.44Å; Y342-T384 HydrophobicContact CG-CG2 3.76Å; L363-T384 HydrophobicContact CD1-CG2 3.94Å; Q381-T384 WeakPolarHBondContact O-CB 3.15Å; Q381-T384 PolarHBondContact O-N 2.78Å; Q381-T384 PolarHBondContact O-OG1 3.48Å; S382-T384 VanDerWaalsContact C-N 3.26Å
385	W	96	Very high	88.3	Confident	26 Å²	26	37.4 Å²	37.4	10%	0.098	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-75.7	141.7	-173.7	-68.1	11.4	0	0	0	112.2	H75 L77 R108 Y247 S248 H249 Q381 S382 Q383	H75-W385 HydrophobicContact CB-CH2 4.41Å; H75-W385 HydrophobicContact CB-CZ3 3.85Å; H75-W385 AromaticContact CD2-CH2 3.63Å; H75-W385 AromaticContact CD2-CZ3 3.67Å; H75-W385 AromaticContact CE1-CH2 3.84Å; H75-W385 AromaticContact CG-CH2 3.71Å; H75-W385 AromaticContact CG-CZ3 3.61Å; H75-W385 AromaticContact ND1-CH2 3.85Å; H75-W385 AromaticContact NE2-CH2 3.71Å; L77-W385 HydrophobicContact CD1-CZ3 4.18Å; R108-W385 HydrophobicContact CG-CE3 4.31Å; R108-W385 HydrophobicContact CG-CZ3 4.43Å; Y247-W385 HydrophobicContact CD1-CB 4.22Å; Y247-W385 HydrophobicContact CG-CE3 4.16Å; S248-W385 CarbonylContact O-C 3.57Å; S248-W385 WeakPolarHBondContact O-CA 3.27Å; H249-W385 HydrophobicContact CB-CD2 4.34Å; H249-W385 HydrophobicContact CB-CG 3.89Å; H249-W385 AromaticContact CD2-CE2 3.67Å; H249-W385 AromaticContact CD2-CZ2 3.81Å; H249-W385 AromaticContact CD2-NE1 3.74Å; H249-W385 AromaticContact CG-NE1 3.79Å; Q381-W385 VanDerWaalsContact O-CD1 3.31Å; S382-W385 PolarHBondContact O-N 3.45Å; Q383-W385 VanDerWaalsContact C-N 3.34Å
386	T	96.9	Very high	87.5	Confident	32 Å²	32	39.8 Å²	39.8	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.3	175.2	-59.2	0	0	0	0	110	F44 Y247 S248 H388	F44-T386 WeakPolarHBondContact O-CB 3.1Å; F44-T386 WeakPolarHBondContact O-CG2 3.26Å; F44-T386 PolarHBondContact O-OG1 2.95Å; Y247-T386 CarbonylContact C-O 3.47Å; Y247-T386 VanDerWaalsContact CA-O 3.25Å; Y247-T386 WeakPolarHBondContact CA-O 3.37Å; S248-T386 PolarHBondContact N-O 3.32Å; S248-T386 PolarHBondContact O-N 3.02Å; T386-H388 PolarHBondContact O-CD2 3.27Å
387	L	96.8	Very high	86.2	Confident	72 Å²	72	40.9 Å²	40.9	38%	0.377	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.5	167.4	178.6	63	0	0	0	110.2	C245 Y247 C389	C245-L387 HydrophobicContact CB-CD1 4.05Å; Y247-L387 HydrophobicContact CD1-CB 3.98Å; Y247-L387 HydrophobicContact CD1-CD1 4.08Å; Y247-L387 HydrophobicContact CD2-CD1 4.47Å; Y247-L387 HydrophobicContact CE1-CB 3.7Å; Y247-L387 HydrophobicContact CE1-CD1 3.69Å; Y247-L387 HydrophobicContact CE1-CG 4.19Å; Y247-L387 HydrophobicContact CE2-CD1 4.13Å; Y247-L387 HydrophobicContact CG-CD1 4.46Å; L387-C389 WeakPolarHBondContact CD1-O 3.3Å
388	H	97.5	Very high	84.6	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-45.8	178.3	-75.5	-103.9	0	0	0	112.6	V43 G46 F74 K127 L246 S248 T386	V43-H388 PolarHBondContact O-CE1 2.88Å; G46-H388 WeakPolarHBondContact CA-ND1 3.44Å; F74-H388 AromaticContact CE1-CD2 3.96Å; F74-H388 AromaticContact CE1-CE1 3.61Å; F74-H388 AromaticContact CE1-NE2 3.52Å; K127-H388 HydrophobicContact CD-CB 4.42Å; K127-H388 VanDerWaalsContact CE-O 3.25Å; K127-H388 WeakPolarHBondContact CE-O 3.24Å; K127-H388 PolarHBondContact NZ-O 2.72Å; L246-H388 HydrophobicContact CB-CB 4.36Å; L246-H388 HydrophobicContact CD2-CB 4.14Å; L246-H388 HydrophobicContact CG-CB 4.23Å; L246-H388 WeakPolarHBondContact O-CB 3.44Å; L246-H388 PolarHBondContact O-N 3.45Å; S248-H388 WeakPolarHBondContact CB-NE2 3.26Å; S248-H388 PolarHBondContact OG-NE2 2.57Å; T386-H388 PolarHBondContact O-CD2 3.27Å
389	C	95	Very high	82.6	Confident	22 Å²	22	38.8 Å²	38.8	15%	0.149	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	160.4	177.7	56	0	0	0	0	111	F130 V131 L246 L387	F130-C389 WeakPolarHBondContact CD1-SG 3.5Å; F130-C389 VanDerWaalsContact CE1-SG 3.58Å; V131-C389 HydrophobicContact CG2-CB 4.31Å; L246-C389 PolarHBondContact N-O 3.49Å; L387-C389 WeakPolarHBondContact CD1-O 3.3Å
390	S	94.1	Very high	80.2	Confident	56 Å²	56	45.2 Å²	45.2	39%	0.392	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.8	173.3	61.1	0	0	0	0	109.4	F244	F244-S390 CarbonylContact O-C 3.53Å; F244-S390 VanDerWaalsContact O-CA 3.23Å; F244-S390 WeakPolarHBondContact O-CA 3.2Å
391	V	92	Very high	77.5	Confident	14 Å²	14	49.9 Å²	49.9	9%	0.085	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.9	-179.5	-178	0	0	0	0	109.2	F130 V131 F134 G135 K243 F244	F130-V391 HydrophobicContact CD1-CG2 4.31Å; F130-V391 HydrophobicContact CE1-CG2 3.83Å; V131-V391 HydrophobicContact CG2-CG2 4.48Å; F134-V391 HydrophobicContact CB-CB 4.3Å; F134-V391 HydrophobicContact CB-CG1 4.33Å; F134-V391 WeakPolarHBondContact O-CG1 3.46Å; G135-V391 VanDerWaalsContact CA-CG1 3.47Å; K243-V391 CarbonylContact C-O 3.55Å; K243-V391 WeakPolarHBondContact CA-O 3.49Å; F244-V391 PolarHBondContact N-O 3.45Å; F244-V391 PolarHBondContact O-N 3.02Å
392	P	87.5	Confident	74.7	Confident	52 Å²	52	54.6 Å²	54.6	34%	0.338	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	137.7	177.3	-21.6	32.9	0	0	0	112.1	N394	P392-N394 PolarHBondContact O-N 3.46Å
393	L	82.5	Confident	71.7	Confident	22 Å²	22	61.4 Å²	61.4	12%	0.115	36%	0.362	C	S	.	.			trans	-85.9	105.2	171.4	170.8	59.8	0	0	0	109.3	L78 I138 L242 F244 L395	L78-L393 HydrophobicContact CD1-CD2 4.41Å; I138-L393 HydrophobicContact CB-CD1 4.01Å; I138-L393 HydrophobicContact CD1-CD1 3.4Å; I138-L393 HydrophobicContact CG1-CD1 4.23Å; L242-L393 HydrophobicContact CB-CB 3.89Å; L242-L393 HydrophobicContact CB-CD2 4.11Å; L242-L393 HydrophobicContact CB-CG 4.41Å; L242-L393 HydrophobicContact CD1-CD2 3.76Å; L242-L393 PolarHBondContact O-N 2.84Å; F244-L393 HydrophobicContact CD2-CB 4.32Å; F244-L393 HydrophobicContact CE2-CB 3.88Å; F244-L393 HydrophobicContact CE2-CD1 3.76Å; F244-L393 HydrophobicContact CE2-CD2 4.29Å; F244-L393 HydrophobicContact CE2-CG 4.18Å; F244-L393 HydrophobicContact CZ-CD1 4.15Å; F244-L393 HydrophobicContact CZ-CD2 4.17Å; L393-L395 HydrophobicContact CD1-CD2 3.98Å; L393-L395 HydrophobicContact CD2-CD2 4Å; L393-L395 HydrophobicContact CG-CD2 3.88Å; L393-L395 HydrophobicContact CG-CG 4.23Å; L393-L395 PolarHBondContact O-N 3.4Å
394	N	72.2	Confident	68.6	Low	85 Å²	85	67 Å²	67	46%	0.455	39%	0.385	S	S	.	.			trans	-87.9	103.9	173	-68.2	-31.8	0	0	0	109.7	I138 P392	I138-N394 PolarHBondContact N-O 3.47Å; P392-N394 PolarHBondContact O-N 3.46Å
395	L	67.6	Low	65.4	Low	41 Å²	41	74 Å²	74	22%	0.215	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.5	171.9	-60.1	174.8	0	0	0	109.4	L140 L242 L393	L140-L395 HydrophobicContact CB-CD2 4.07Å; L140-L395 HydrophobicContact CD1-CD2 3.88Å; L140-L395 HydrophobicContact CD2-CD1 4.06Å; L140-L395 HydrophobicContact CD2-CD2 3.94Å; L140-L395 HydrophobicContact CD2-CG 4.47Å; L140-L395 HydrophobicContact CG-CD2 4.19Å; L242-L395 HydrophobicContact CD1-CD1 4.4Å; L393-L395 HydrophobicContact CD1-CD2 3.98Å; L393-L395 HydrophobicContact CD2-CD2 4Å; L393-L395 HydrophobicContact CG-CD2 3.88Å; L393-L395 HydrophobicContact CG-CG 4.23Å; L393-L395 PolarHBondContact O-N 3.4Å
396	T	60.4	Low	62	Low	60 Å²	60	79.7 Å²	79.7	37%	0.368	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.7	172.3	54.2	0	0	0	0	110.3	L140	L140-T396 PolarHBondContact N-O 2.81Å
397	S	53.9	Low	58.6	Low	36 Å²	36	84.2 Å²	84.2	25%	0.252	48%	0.479	S	S	.	.			trans	-79.5	141.7	169.4	167.9	0	0	0	0	110.9	E233 A399 K400	E233-S397 WeakPolarHBondContact OE2-CB 3.44Å; S397-A399 PolarHBondContact O-N 3.42Å; S397-A399 VanDerWaalsContact O-N 3.13Å; S397-A399 PolarHBondContact OG-N 3.03Å; S397-K400 PolarHBondContact O-N 3.32Å
398	P	49.1	Very low	55.5	Low	72 Å²	72	86.3 Å²	86.3	47%	0.468	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-56.6	-24.7	174.2	-22.4	31.4	0	0	0	114.2	K400 S401	P398-K400 PolarHBondContact O-N 3.2Å; P398-K400 VanDerWaalsContact O-N 3.14Å; P398-S401 WeakPolarHBondContact O-CB 3.36Å; P398-S401 PolarHBondContact O-N 3.2Å; P398-S401 PolarHBondContact O-OG 2.82Å
399	A	43.7	Very low	52	Low	72 Å²	72	92 Å²	92	60%	0.595	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.4	-174.6	0	0	0	0	0	114	S397 S401	S397-A399 PolarHBondContact O-N 3.42Å; S397-A399 VanDerWaalsContact O-N 3.13Å; S397-A399 PolarHBondContact OG-N 3.03Å; A399-S401 VanDerWaalsContact C-N 3.26Å; A399-S401 PolarHBondContact O-N 2.75Å
400	K	40.3	Very low	48.6	Very low	140 Å²	140	98.1 Å²	98.1	61%	0.609	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-77.8	-4	173.5	-83.5	179.7	-179.8	166.1	0	114.4	S397 P398 C402	S397-K400 PolarHBondContact O-N 3.32Å; P398-K400 PolarHBondContact O-N 3.2Å; P398-K400 VanDerWaalsContact O-N 3.14Å; K400-C402 VanDerWaalsContact C-N 3.32Å
401	S	33	Very low	45.3	Very low	105 Å²	105	101.4 Å²	101.4	73%	0.734	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-76.6	-14.5	173.7	64.1	0	0	0	0	114	P398 A399	P398-S401 WeakPolarHBondContact O-CB 3.36Å; P398-S401 PolarHBondContact O-N 3.2Å; P398-S401 PolarHBondContact O-OG 2.82Å; A399-S401 VanDerWaalsContact C-N 3.26Å; A399-S401 PolarHBondContact O-N 2.75Å
402	C	31.3	Very low	42.1	Very low	115 Å²	115	107.1 Å²	107.1	78%	0.777	61%	0.612	S	S	*	*	S	Bend	trans	-115	1.5	-178.5	-81.9	0	0	0	0	116.4	K400	K400-C402 VanDerWaalsContact C-N 3.32Å
403	L	28.6	Very low	39.1	Very low	151 Å²	151	112.4 Å²	112.4	79%	0.791	64%	0.637	S	S	*	*			trans	-131.1	72.2	177.3	-73	168.6	0	0	0	111.7
404	K	28.7	Very low	36.5	Very low	196 Å²	196	116.7 Å²	116.7	85%	0.852	66%	0.664	S	S	*	*			trans	-133.8	70	153.3	-76.4	-168.9	179.1	-179	0	109.1
405	Q	27.3	Very low	34.3	Very low	178 Å²	178	118.8 Å²	118.8	83%	0.832	68%	0.675	S	S	*	*			trans	-92.2	121	152.1	-86.1	-176.7	-9	0	0	108
406	N	24.7	Very low	32.4	Very low	144 Å²	144	123.8 Å²	123.8	77%	0.77	70%	0.698	S	S	*	*			trans	53.1	104.9	150.4	-58.3	-13.6	0	0	0	118.5
407	C	24.1	Very low	30.8	Very low	127 Å²	127	126.6 Å²	126.6	86%	0.858	71%	0.71	S	S	*	*				178.8	153.5	116	-92	0	0	0	0	111.8
408	P	31.2	Very low	29.6	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	73%	0.73	S	S	*	*			trans	-92.9	157.5	-139.8	34.3	-34.5	0	0	0	116	N410	P408-N410 PolarHBondContact O-N 2.87Å
409	T	24.5	Very low	28.6	Very low	126 Å²	126	134.3 Å²	134.3	77%	0.773	74%	0.736	S	S	*	*			trans	-46	109.7	173.4	47.4	0	0	0	0	113.8
410	N	23.6	Very low	27.9	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	74%	0.741	S	S	*	*			trans	-98.4	101.3	153.4	-110.3	-8.6	0	0	0	108.1	P408 N412	P408-N410 PolarHBondContact O-N 2.87Å; N410-N412 VanDerWaalsContact C-N 3.31Å; N410-N412 PolarHBondContact O-N 2.93Å
411	T	24.9	Very low	27.3	Very low	125 Å²	125	138.5 Å²	138.5	77%	0.767	74%	0.741	S	S	*	*			trans	-68	83.8	171.1	44	0	0	0	0	109.7
412	N	25.4	Very low	27	Very low	133 Å²	133	141.1 Å²	141.1	71%	0.711	74%	0.739	S	S	*	*			trans	-102.8	98.9	159.9	-81.3	-13.1	0	0	0	108	N410 V414	N410-N412 VanDerWaalsContact C-N 3.31Å; N410-N412 PolarHBondContact O-N 2.93Å; N412-V414 PolarHBondContact O-N 2.75Å
413	N	25.1	Very low	26.9	Very low	163 Å²	163	141.1 Å²	141.1	87%	0.872	73%	0.731	S	S	*	*			trans	-57	89	163.6	-87.3	-20.9	0	0	0	108.8	N415	N413-N415 PolarHBondContact O-N 3.35Å
414	V	27.5	Very low	26.8	Very low	112 Å²	112	137.3 Å²	137.3	68%	0.679	72%	0.717	S	S	*	*			trans	-77.8	102.7	164.6	-179.9	0	0	0	0	106.3	N412 H416	N412-V414 PolarHBondContact O-N 2.75Å; V414-H416 PolarHBondContact O-N 3.37Å
415	N	26	Very low	26.7	Very low	129 Å²	129	131 Å²	131	69%	0.69	70%	0.698	S	S	*	*			trans	-54.9	106.7	175.5	-99.8	-26.7	0	0	0	110.8	N413 N417	N413-N415 PolarHBondContact O-N 3.35Å; N415-N417 PolarHBondContact O-N 3.22Å
416	H	27.5	Very low	26.7	Very low	147 Å²	147	130.2 Å²	130.2	68%	0.681	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	21.3	173.1	-79.6	-71.5	0	0	0	114.9	V414	V414-H416 PolarHBondContact O-N 3.37Å
417	N	27.5	Very low	26.7	Very low	118 Å²	118	128.5 Å²	128.5	63%	0.631	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-8	-179.6	-81.9	-17.3	0	0	0	114.6	N415	N415-N417 PolarHBondContact O-N 3.22Å
418	E	27.6	Very low	26.9	Very low	145 Å²	145	127 Å²	127	68%	0.678	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-31.5	179.3	-77.7	-79.4	129.6	0	0	113	K421	E418-K421 PolarHBondContact O-N 3.4Å
419	E	28.3	Very low	26.6	Very low	125 Å²	125	125 Å²	125	58%	0.584	67%	0.665	S	S	*	*	H	α-helix	trans	-75	-31.9	178.7	-126.5	177.7	175.2	0	0	112.6	K421 K422 L423	E419-K421 VanDerWaalsContact C-N 3.29Å; E419-K421 PolarHBondContact O-N 2.87Å; E419-K422 PolarHBondContact O-N 3.04Å; E419-L423 PolarHBondContact O-N 2.7Å
420	F	29.2	Very low	26.6	Very low	162 Å²	162	126.7 Å²	126.7	71%	0.711	67%	0.668	S	S	*	*	H	α-helix	trans	-67.5	-26.7	175.5	-115.1	-87.8	0	0	0	113.3	S424	F420-S424 PolarHBondContact O-N 2.76Å
421	K	26.7	Very low	26.6	Very low	139 Å²	139	126.4 Å²	126.4	60%	0.604	67%	0.665	S	S	*	*	H	α-helix	trans	-78.5	-28.5	175.9	-78.8	-177.4	178.5	175.5	0	113.2	E418 E419 S424 S425	E418-K421 PolarHBondContact O-N 3.4Å; E419-K421 VanDerWaalsContact C-N 3.29Å; E419-K421 PolarHBondContact O-N 2.87Å; K421-S424 PolarHBondContact O-OG 3.25Å; K421-S425 PolarHBondContact O-N 2.84Å; K421-S425 PolarHBondContact O-OG 2.83Å
422	K	28.3	Very low	26.7	Very low	160 Å²	160	124.5 Å²	124.5	70%	0.696	66%	0.662	S	S	*	*	H	α-helix	trans	-71.6	-31.6	174.1	-94.6	-178.9	175.3	178.1	0	112.8	E419 S425	E419-K422 PolarHBondContact O-N 3.04Å; K422-S425 PolarHBondContact O-OG 3.21Å
423	L	27.4	Very low	26.5	Very low	115 Å²	115	127.3 Å²	127.3	60%	0.602	67%	0.668	S	S	*	*	H	α-helix	trans	-81.8	-22.6	175	-86.4	124.2	0	0	0	113.9	E419	E419-L423 PolarHBondContact O-N 2.7Å
424	S	26.5	Very low	26.3	Very low	70 Å²	70	124.4 Å²	124.4	49%	0.49	66%	0.66	S	S	.	*	H	α-helix	trans	-75.5	-29.3	174	76.9	0	0	0	0	112.8	F420 K421 S428	F420-S424 PolarHBondContact O-N 2.76Å; K421-S424 PolarHBondContact O-OG 3.25Å; S424-S428 PolarHBondContact O-OG 3.41Å
425	S	27.3	Very low	26.2	Very low	65 Å²	65	125.3 Å²	125.3	46%	0.455	67%	0.666	S	S	.	*	H	α-helix	trans	-80.7	-22.2	-180	58.4	0	0	0	0	114.2	K421 K422	K421-S425 PolarHBondContact O-N 2.84Å; K421-S425 PolarHBondContact O-OG 2.83Å; K422-S425 PolarHBondContact O-OG 3.21Å
426	Q	26.6	Very low	26	Very low	161 Å²	161	126.4 Å²	126.4	75%	0.752	67%	0.672	S	S	*	*	H	α-helix	trans	-86.1	-14.2	177.1	-70.6	-168.1	-13.1	0	0	114.4
427	N	26.3	Very low	26	Very low	107 Å²	107	122.3 Å²	122.3	57%	0.572	66%	0.66	S	S	*	*	S	Bend	trans	-107.5	3.4	176.9	-77.6	-42.4	0	0	0	113.9
428	S	27	Very low	25.8	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	67%	0.67	S	S	*	*	S	Bend	trans	-112.7	13.8	178.8	71	0	0	0	0	114.2	S424	S424-S428 PolarHBondContact O-OG 3.41Å
429	S	24.5	Very low	25.9	Very low	75 Å²	75	124 Å²	124	52%	0.524	67%	0.668	S	S	.	*			trans	-132.5	90.9	168.4	63.8	0	0	0	0	109.8	I431	S429-I431 PolarHBondContact O-N 3.45Å; S429-I431 VanDerWaalsContact O-N 3.12Å
430	L	25.9	Very low	25.8	Very low	161 Å²	161	122.9 Å²	122.9	84%	0.843	67%	0.672	S	S	*	*			trans	-71.1	16.5	166.4	-81.4	166.6	0	0	0	113	A432	L430-A432 PolarHBondContact O-N 2.95Å
431	I	23.6	Very low	25.7	Very low	146 Å²	146	122.8 Å²	122.8	75%	0.749	68%	0.677	S	S	*	*			trans	-89.5	88.4	166.6	-55.4	177.3	0	0	0	106.4	S429 K433	S429-I431 PolarHBondContact O-N 3.45Å; S429-I431 VanDerWaalsContact O-N 3.12Å; I431-K433 PolarHBondContact O-N 3.33Å
432	A	26	Very low	25.5	Very low	85 Å²	85	122 Å²	122	70%	0.702	68%	0.678	S	S	*	*			trans	-53.2	109.8	170.9	0	0	0	0	0	108.8	L430 S434	L430-A432 PolarHBondContact O-N 2.95Å; A432-S434 PolarHBondContact O-N 2.97Å
433	K	21.4	Very low	25.4	Very low	191 Å²	191	118.8 Å²	118.8	83%	0.83	68%	0.677	S	S	*	*			trans	-62.8	118.2	163.7	-76.8	-179.1	176.2	178.3	0	106.6	I431 T435	I431-K433 PolarHBondContact O-N 3.33Å; K433-T435 PolarHBondContact O-N 3.46Å
434	S	22.1	Very low	25.3	Very low	102 Å²	102	119 Å²	119	71%	0.713	69%	0.685	S	S	*	*			trans	-51.9	109.4	173.6	51.6	0	0	0	0	109.5	A432 N436	A432-S434 PolarHBondContact O-N 2.97Å; S434-N436 PolarHBondContact O-N 2.82Å
435	T	25.1	Very low	25.2	Very low	131 Å²	131	121.3 Å²	121.3	80%	0.804	70%	0.7	S	S	*	*			trans	-81.9	102	160.2	42.5	0	0	0	0	105.7	K433 S437	K433-T435 PolarHBondContact O-N 3.46Å; T435-S437 PolarHBondContact O-N 2.87Å
436	N	22	Very low	25.1	Very low	152 Å²	152	125.9 Å²	125.9	81%	0.813	72%	0.718	S	S	*	*			trans	-65.1	83.2	166	-80	-9.9	0	0	0	107.9	S434 T438	S434-N436 PolarHBondContact O-N 2.82Å; N436-T438 PolarHBondContact O-N 3.38Å
437	S	26.6	Very low	25	Very low	62 Å²	62	123.7 Å²	123.7	43%	0.434	72%	0.721	S	S	.	*			trans	-80	100.7	169.4	157.5	0	0	0	0	107.9	T435 Y439	T435-S437 PolarHBondContact O-N 2.87Å; S437-Y439 VanDerWaalsContact O-CD2 3.24Å; S437-Y439 WeakPolarHBondContact O-CD2 3.36Å; S437-Y439 PolarHBondContact O-N 3.1Å; S437-Y439 VanDerWaalsContact O-N 3.1Å
438	T	22.9	Very low	25	Very low	136 Å²	136	126 Å²	126	83%	0.834	73%	0.733	S	S	*	*			trans	-67.3	100.3	165.4	-49.9	0	0	0	0	108	N436	N436-T438 PolarHBondContact O-N 3.38Å
439	Y	29.2	Very low	24.7	Very low	161 Å²	161	126.7 Å²	126.7	63%	0.631	74%	0.738	S	S	*	*			trans	-71.3	133.7	175.5	-66	-83.9	0	0	0	110.3	S437 I441	S437-Y439 VanDerWaalsContact O-CD2 3.24Å; S437-Y439 WeakPolarHBondContact O-CD2 3.36Å; S437-Y439 PolarHBondContact O-N 3.1Å; S437-Y439 VanDerWaalsContact O-N 3.1Å; Y439-I441 PolarHBondContact O-N 2.87Å
440	P	27.3	Very low	24.6	Very low	103 Å²	103	128 Å²	128	67%	0.669	75%	0.747	S	S	*	*			trans	-67.2	117.5	166.8	-6	20.3	0	0	0	108.5	L442	P440-L442 PolarHBondContact O-N 3.29Å
441	I	26.5	Very low	24.6	Very low	160 Å²	160	128.7 Å²	128.7	82%	0.821	75%	0.746	S	S	*	*			trans	-65.3	115.1	172	-62.6	170.4	0	0	0	107.2	Y439 S443	Y439-I441 PolarHBondContact O-N 2.87Å; I441-S443 PolarHBondContact O-N 3.33Å
442	L	23.6	Very low	24.5	Very low	121 Å²	121	130.6 Å²	130.6	63%	0.634	75%	0.751	S	S	*	*			trans	-59.7	108.7	170.1	-77.9	156.6	0	0	0	108.6	P440	P440-L442 PolarHBondContact O-N 3.29Å
443	S	25.5	Very low	24.6	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	76%	0.759	S	S	*	*			trans	-71.3	137.5	169.8	40	0	0	0	0	109.6	I441 C445	I441-S443 PolarHBondContact O-N 3.33Å; S443-C445 PolarHBondContact O-N 2.93Å; S443-C445 VanDerWaalsContact O-N 3.15Å
444	P	25.7	Very low	24.6	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	76%	0.757	S	S	*	*			trans	-73.9	109.8	-178	10.5	-2.2	0	0	0	110.4	L446	P444-L446 PolarHBondContact O-N 2.81Å
445	C	23.4	Very low	24.7	Very low	118 Å²	118	129.6 Å²	129.6	80%	0.797	76%	0.763	S	S	*	*			trans	-72.4	92.8	169.9	-66.3	0	0	0	0	109.9	S443 S447	S443-C445 PolarHBondContact O-N 2.93Å; S443-C445 VanDerWaalsContact O-N 3.15Å; C445-S447 PolarHBondContact O-N 3.33Å
446	L	26.7	Very low	24.5	Very low	160 Å²	160	131.9 Å²	131.9	84%	0.838	76%	0.762	S	S	*	*			trans	-79.9	106.9	157.2	-87.7	155.7	0	0	0	107.9	P444 N448	P444-L446 PolarHBondContact O-N 2.81Å; L446-N448 PolarHBondContact O-N 3.44Å
447	S	23.6	Very low	24.6	Very low	116 Å²	116	133.5 Å²	133.5	81%	0.811	76%	0.762	S	S	*	*			trans	-70.6	89.3	170.4	46.1	0	0	0	0	110.2	C445	C445-S447 PolarHBondContact O-N 3.33Å
448	N	25.7	Very low	24.4	Very low	156 Å²	156	135 Å²	135	83%	0.834	77%	0.772	S	S	*	*			trans	-95.5	108.8	155.3	-93.3	6.3	0	0	0	109	L446	L446-N448 PolarHBondContact O-N 3.44Å
449	S	21.1	Very low	24.3	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	77%	0.769	S	S	*	*			trans	-61.7	121.5	160	50.1	0	0	0	0	110.3
450	S	23.6	Very low	24.1	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	78%	0.779	S	S	*	*			trans	162.6	136.2	131.3	58.7	0	0	0	0	112.5
451	E	25.2	Very low	23.7	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	79%	0.785	S	S	*	*			trans	90.1	95.8	152.6	-67.9	172.8	-162.3	0	0	120.2
452	H	22.4	Very low	23.5	Very low	187 Å²	187	129.8 Å²	129.8	87%	0.866	78%	0.782	S	S	*	*				29.1	111.2	123.8	-71.1	-74.7	0	0	0	118.2
453	S	26.2	Very low	23.5	Very low	125 Å²	125	128.9 Å²	128.9	87%	0.874	79%	0.786	S	S	*	*				-172.1	131.3	115	25	0	0	0	0	111.6
454	S	21.8	Very low	23.2	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	79%	0.794	S	S	*	*			trans	-72.9	135.3	175.9	48.7	0	0	0	0	112.4
455	S	25.3	Very low	23.1	Very low	119 Å²	119	128.4 Å²	128.4	83%	0.832	79%	0.792	S	S	*	*			trans	-158.7	111.4	141.3	58.6	0	0	0	0	110.7
456	F	21.1	Very low	23	Very low	180 Å²	180	127.8 Å²	127.8	79%	0.789	79%	0.788	S	S	*	*			trans	-60	141.6	159.8	-75.2	-104.9	0	0	0	110.7
457	F	23.2	Very low	22.6	Very low	185 Å²	185	125.5 Å²	125.5	81%	0.811	79%	0.786	S	S	*	*				157.6	141.4	108.2	-106	-77.2	0	0	0	112.8
458	S	22.5	Very low	22.7	Very low	93 Å²	93	125 Å²	125	65%	0.65	78%	0.782	S	S	*	*			trans	85.7	91.6	145.4	-56.3	0	0	0	0	119.9
459	S	20.5	Very low	22.5	Very low	110 Å²	110	123.2 Å²	123.2	77%	0.769	78%	0.782	S	S	*	*				-17.9	132.8	124.9	52.3	0	0	0	0	116.4
460	S	24.5	Very low	22.8	Very low	120 Å²	120	123.5 Å²	123.5	84%	0.839	78%	0.784	S	S	*	*			trans	-156.6	99.2	142.5	-74.3	0	0	0	0	109.5
461	S	20.3	Very low	22.6	Very low	114 Å²	114	125.5 Å²	125.5	80%	0.797	79%	0.792	S	S	*	*			trans	-64.4	138.7	152.2	49.1	0	0	0	0	110.6
462	S	22.7	Very low	22.7	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	79%	0.791	S	S	*	*			trans	178.9	120.4	138.5	51.6	0	0	0	0	113.3
463	S	21.9	Very low	22.6	Very low	102 Å²	102	120.8 Å²	120.8	71%	0.713	79%	0.788	S	S	*	*			trans	63.5	109.7	130.9	58	0	0	0	0	121.6
464	A	20.3	Very low	22.6	Very low	100 Å²	100	121 Å²	121	83%	0.826	79%	0.786	S	S	*	*				32.5	119.3	106.3	0	0	0	0	0	119.8
465	S	23.4	Very low	22.6	Very low	105 Å²	105	121 Å²	121	73%	0.734	78%	0.781	S	S	*	*			trans	-172.9	106.7	141.6	48.1	0	0	0	0	107.2
466	S	20.2	Very low	22.4	Very low	104 Å²	104	124.1 Å²	124.1	73%	0.727	78%	0.78	S	S	*	*				63.1	115.1	81.6	69.8	0	0	0	0	115.6
467	S	20.1	Very low	22.5	Very low	113 Å²	113	120.2 Å²	120.2	79%	0.79	78%	0.775	S	S	*	*			trans	65.1	113.8	138.7	62.6	0	0	0	0	121.4
468	S	25.8	Very low	22.3	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	78%	0.779	S	S	*	*				-175.5	105.9	127.8	53.6	0	0	0	0	107.6
469	S	20.5	Very low	22.3	Very low	120 Å²	120	121.8 Å²	121.8	84%	0.839	78%	0.783	S	S	*	*				43.7	96	84.2	73.7	0	0	0	0	114.6
470	S	26.5	Very low	22.3	Very low	117 Å²	117	121.8 Å²	121.8	82%	0.818	78%	0.783	S	S	*	*			trans	-152.5	109.7	147.1	59.7	0	0	0	0	109.7
471	T	20.8	Very low	22.4	Very low	144 Å²	144	122.2 Å²	122.2	88%	0.883	78%	0.78	S	S	*	*			trans	-59.4	136.6	164.9	43.3	0	0	0	0	112.3
472	S	27.6	Very low	22.4	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	78%	0.783	S	S	*	*			trans	-161.6	103.1	146.3	56.1	0	0	0	0	109.8
473	D	19.1	Very low	22.5	Very low	151 Å²	151	125.7 Å²	125.7	81%	0.807	78%	0.78	S	S	*	*			trans	-59.5	150.6	155.9	-76	-44.6	0	0	0	110
474	P	26.5	Very low	22.3	Very low	129 Å²	129	126.3 Å²	126.3	84%	0.838	78%	0.779	S	S	*	*				-125.8	123.4	125.4	30.6	-19.6	0	0	0	111.4
475	V	20.9	Very low	22.5	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.685	78%	0.776	S	S	*	*			trans	-70.9	154.4	163.6	161.6	0	0	0	0	110.3
476	K	22.7	Very low	22.3	Very low	184 Å²	184	128.8 Å²	128.8	80%	0.8	77%	0.773	S	S	*	*			trans	113.7	106.3	148.6	-98.5	160	-172.1	-176.4	0	119.6
477	S	22.4	Very low	22.4	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	77%	0.772	S	S	*	*				71.6	115	118.3	63.7	0	0	0	0	122
478	K	19.4	Very low	22.5	Very low	204 Å²	204	130.6 Å²	130.6	89%	0.887	77%	0.77	S	S	*	*				30.9	115.3	121	-68.3	-177.6	175.9	-179.4	0	118.6
479	S	22	Very low	22.1	Very low	107 Å²	107	133 Å²	133	75%	0.748	78%	0.775	S	S	*	*				173.6	109.5	125.6	52.4	0	0	0	0	108.9
480	S	20.7	Very low	22.2	Very low	109 Å²	109	133 Å²	133	76%	0.762	78%	0.775	S	S	*	*				52.5	100.2	108.7	69.7	0	0	0	0	115.7
481	V	27.3	Very low	22	Very low	129 Å²	129	134.1 Å²	134.1	78%	0.782	77%	0.772	S	S	*	*			trans	-133.5	97.6	144.2	178.9	0	0	0	0	106.9	T483	V481-T483 WeakPolarHBondContact CG1-OG1 3.46Å
482	Q	19.4	Very low	22.2	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	77%	0.773	S	S	*	*			trans	-69.8	129.2	155.3	-84.2	174.4	-29.6	0	0	107.1
483	T	24.2	Very low	21.9	Very low	111 Å²	111	136.3 Å²	136.3	68%	0.681	77%	0.769	S	S	*	*			trans	-128	99	160.6	-39	0	0	0	0	107.7	V481	V481-T483 WeakPolarHBondContact CG1-OG1 3.46Å
484	T	18.8	Very low	22.1	Very low	114 Å²	114	135.9 Å²	135.9	70%	0.699	77%	0.767	S	S	*	*			trans	-68.4	119.3	165.2	-48.7	0	0	0	0	108.2
485	I	24.5	Very low	22.1	Very low	148 Å²	148	136.1 Å²	136.1	76%	0.759	76%	0.761	S	S	*	*			trans	-128.6	103.1	153.8	-61.5	-177.6	0	0	0	107.9
486	T	18.6	Very low	22.2	Very low	110 Å²	110	137.3 Å²	137.3	68%	0.675	76%	0.764	S	S	*	*			trans	-56.4	134.4	160.4	-43.3	0	0	0	0	110.5
487	T	21.7	Very low	22.2	Very low	116 Å²	116	135.2 Å²	135.2	71%	0.712	76%	0.761	S	S	*	*			trans	-160.3	115.2	141.3	11	0	0	0	0	112.5
488	N	22.2	Very low	22.3	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	77%	0.769	S	S	*	*			trans	69.2	94.5	136.6	-61	-5.5	0	0	0	120.6
489	N	18.3	Very low	22.5	Very low	153 Å²	153	134.8 Å²	134.8	82%	0.818	77%	0.766	S	S	*	*				-45	131.9	129.3	-84.5	-20.5	0	0	0	111.7
490	S	23.4	Very low	22.7	Very low	122 Å²	122	139.4 Å²	139.4	85%	0.853	77%	0.773	S	S	*	*			trans	-151.7	113.5	136.5	-85.5	0	0	0	0	110.1
491	N	21.2	Very low	22.7	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	78%	0.779	S	S	*	*			trans	-52.3	141.3	161.6	-70.8	-33.4	0	0	0	110.7
492	N	25.7	Very low	22.8	Very low	170 Å²	170	144.7 Å²	144.7	91%	0.909	78%	0.78	S	S	*	*			trans	-141.4	97.2	140.4	-101.6	-16.4	0	0	0	109
493	N	20.7	Very low	23.1	Very low	133 Å²	133	140.8 Å²	140.8	71%	0.711	77%	0.773	S	S	*	*			trans	-69.4	138.1	150.4	-76.8	-24.4	0	0	0	108.1
494	N	24	Very low	23.2	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	78%	0.779	S	S	*	*				166.6	144.1	115.4	-90.4	-17.5	0	0	0	113.8
495	N	26.6	Very low	23.7	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	79%	0.786	S	S	*	*			trans	95.1	88	149.6	-62.5	-14.2	0	0	0	119.7
496	N	21.9	Very low	24.1	Very low	138 Å²	138	144.5 Å²	144.5	74%	0.738	79%	0.786	S	S	*	*				34.8	135.4	101.4	-65.6	-6.7	0	0	0	120.6
497	N	23.8	Very low	24.4	Very low	140 Å²	140	144 Å²	144	75%	0.749	79%	0.786	S	S	*	*			trans	86.6	106.1	149.8	-61.7	-12.2	0	0	0	118.2
498	T	24.1	Very low	24.7	Very low	139 Å²	139	143.7 Å²	143.7	85%	0.853	78%	0.78	S	S	*	*				173.6	140.6	86.6	32.7	0	0	0	0	111.1
499	D	22.5	Very low	25.2	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	77%	0.769	S	S	*	*			trans	-52.7	136.8	175.4	-58.7	-65.4	0	0	0	114.1
500	K	26.2	Very low	25.6	Very low	204 Å²	204	140 Å²	140	89%	0.887	75%	0.752	S	S	*	*			trans	-154.4	108.1	143.4	-109	173.6	-171.1	-179.9	0	109.9	I502	K500-I502 PolarHBondContact O-N 2.89Å
501	H	21.9	Very low	26.1	Very low	193 Å²	193	141.7 Å²	141.7	89%	0.894	74%	0.744	S	S	*	*			trans	-43.7	116.6	164.6	-82.6	-94	0	0	0	112
502	I	28.5	Very low	26.5	Very low	156 Å²	156	138.4 Å²	138.4	80%	0.8	73%	0.729	S	S	*	*			trans	-134.3	125.4	148.5	-63.6	-176	0	0	0	107.3	K500	K500-I502 PolarHBondContact O-N 2.89Å
503	S	26.9	Very low	26.4	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	72%	0.722	S	S	*	*			trans	-46.7	132.2	-175.8	46.5	0	0	0	0	116
504	D	26	Very low	26.7	Very low	152 Å²	152	134 Å²	134	81%	0.813	72%	0.722	S	S	*	*			trans	-71.4	118.2	173.5	-63.8	-55.2	0	0	0	112.5
505	H	29.1	Very low	27	Very low	180 Å²	180	131.3 Å²	131.3	83%	0.833	72%	0.719	S	S	*	*			trans	-134.4	94	158.9	-85	-61.2	0	0	0	108.4	C507	H505-C507 PolarHBondContact O-N 3.1Å
506	P	32	Very low	27	Very low	119 Å²	119	132.8 Å²	132.8	77%	0.773	73%	0.727	S	S	*	*			trans	-97.3	92.4	-179.5	33.2	-25.2	0	0	0	110
507	C	26.2	Very low	27.2	Very low	99 Å²	99	131 Å²	131	67%	0.669	73%	0.726	S	S	*	*			trans	-151.8	64.1	165.4	-89.9	0	0	0	0	108.9	H505	H505-C507 PolarHBondContact O-N 3.1Å
508	D	27.9	Very low	27.3	Very low	110 Å²	110	130 Å²	130	59%	0.588	73%	0.725	S	S	*	*			trans	-160	77.3	176	-90.7	-34.9	0	0	0	109.5	T512	D508-T512 HydrophobicContact CB-CG2 4Å; D508-T512 PolarHBondContact O-OG1 2.84Å
509	L	32.1	Very low	27.3	Very low	99 Å²	99	129.4 Å²	129.4	52%	0.518	73%	0.725	S	S	.	*	S	Bend	trans	-137.8	-4.7	172.6	-124.5	106.1	0	0	0	118.2
510	Y	27.5	Very low	27.5	Very low	115 Å²	115	129.4 Å²	129.4	45%	0.451	72%	0.719	S	S	.	*	S	Bend	trans	-101.7	-12.4	162	-75.9	-91.9	0	0	0	113.7	F275 E353	F275-Y510 HydrophobicContact CD1-CE2 4.13Å; F275-Y510 AromaticContact CE1-CE2 3.85Å; F275-Y510 HydrophobicContact CE1-CE2 3.85Å; F275-Y510 HydrophobicContact CZ-CE2 4.47Å; E353-Y510 HydrophobicContact CB-CD2 3.92Å; E353-Y510 HydrophobicContact CB-CE2 4.23Å; E353-Y510 VanDerWaalsContact CD-CE2 3.41Å; E353-Y510 HydrophobicContact CG-CD2 3.68Å; E353-Y510 HydrophobicContact CG-CE2 4.22Å; E353-Y510 WeakPolarHBondContact OE1-CD2 3.24Å; E353-Y510 WeakPolarHBondContact OE2-CD2 3.26Å; E353-Y510 WeakPolarHBondContact OE2-CE2 3.29Å
511	F	33.2	Very low	27.7	Very low	159 Å²	159	126.7 Å²	126.7	70%	0.697	72%	0.715	S	S	*	*	S	Bend	trans	-101.5	-4.3	176.7	-69.2	-70.2	0	0	0	114.7
512	T	29.3	Very low	27.8	Very low	69 Å²	69	126.6 Å²	126.6	42%	0.423	72%	0.715	S	S	.	*	S	Bend	trans	-116.9	-15.3	-176.3	48.9	0	0	0	0	115.8	D508 G514	D508-T512 HydrophobicContact CB-CG2 4Å; D508-T512 PolarHBondContact O-OG1 2.84Å; T512-G514 PolarHBondContact O-N 2.86Å; T512-G514 VanDerWaalsContact O-N 3.1Å
513	N	24.2	Very low	27.7	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	74.4	175.1	-83.1	-4.3	0	0	0	112.2
514	G	26.2	Very low	27.6	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	-4.5	162.4	0	0	0	0	0	114.3	T512	T512-G514 PolarHBondContact O-N 2.86Å; T512-G514 VanDerWaalsContact O-N 3.1Å
515	A	32	Very low	27.7	Very low	85 Å²	85	130.7 Å²	130.7	70%	0.702	72%	0.722	S	S	*	*	S	Bend	trans	-108	0.6	-171.4	0	0	0	0	0	115.9
516	N	26.7	Very low	27.4	Very low	165 Å²	165	127.3 Å²	127.3	88%	0.882	72%	0.719	S	S	*	*	S	Bend	trans	-143.9	27.3	-179.8	-91.2	-18.6	0	0	0	115.6
517	S	26.1	Very low	27.2	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	72%	0.722	S	S	*	*			trans	-97.1	80.5	158.6	62.1	0	0	0	0	108.7	C519	S517-C519 VanDerWaalsContact C-N 3.27Å; S517-C519 PolarHBondContact O-N 3.32Å
518	T	25.2	Very low	27.3	Very low	118 Å²	118	130.8 Å²	130.8	72%	0.724	73%	0.728	S	S	*	*			trans	-58.2	101	153.2	27.6	0	0	0	0	106.7	H520	T518-H520 PolarHBondContact O-N 3.14Å
519	C	23.3	Very low	27.1	Very low	127 Å²	127	132.8 Å²	132.8	86%	0.858	74%	0.739	S	S	*	*			trans	-66.6	62.9	166.2	50.4	0	0	0	0	109.8	S517	S517-C519 VanDerWaalsContact C-N 3.27Å; S517-C519 PolarHBondContact O-N 3.32Å
520	H	27.3	Very low	27	Very low	155 Å²	155	135.3 Å²	135.3	72%	0.718	75%	0.753	S	S	*	*			trans	-103.5	113.9	160.3	-84.3	-60.5	0	0	0	106.7	T518	T518-H520 PolarHBondContact O-N 3.14Å
521	N	29.5	Very low	26.9	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	77%	0.771	S	S	*	*	S	Bend	trans	121	35.1	157.2	-55.8	-19.6	0	0	0	119.2
522	E	25.2	Very low	26.9	Very low	191 Å²	191	138.4 Å²	138.4	89%	0.893	78%	0.778	S	S	*	*	S	Bend	trans	-125.1	9.9	161.2	-75	-167.1	161.4	0	0	115.9
523	F	25.1	Very low	26.8	Very low	208 Å²	208	142.2 Å²	142.2	91%	0.912	80%	0.796	S	S	*	*			trans	-128	67.5	168.1	-89.8	-88.8	0	0	0	111.4
524	Q	25.7	Very low	26.9	Very low	190 Å²	190	144.7 Å²	144.7	89%	0.888	80%	0.803	S	S	*	*			trans	-121	84.1	151.1	-94.9	-174	-10.7	0	0	107.7	S526	Q524-S526 PolarHBondContact O-N 3.24Å
525	S	27.9	Very low	27	Very low	96 Å²	96	146.3 Å²	146.3	67%	0.671	80%	0.803	S	S	*	*			trans	-62.1	119	160.2	53.1	0	0	0	0	108.4	L527	S525-L527 PolarHBondContact O-N 3.11Å; S525-L527 VanDerWaalsContact O-N 3.14Å
526	S	22.8	Very low	26.8	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	81%	0.81	S	S	*	*			trans	-35.8	107.6	163.3	52.9	0	0	0	0	112.7	Q524	Q524-S526 PolarHBondContact O-N 3.24Å
527	L	27.7	Very low	27	Very low	162 Å²	162	149.4 Å²	149.4	85%	0.848	81%	0.807	S	S	*	*			trans	-110.9	109.3	156	-78.8	165.6	0	0	0	106.6	S525	S525-L527 PolarHBondContact O-N 3.11Å; S525-L527 VanDerWaalsContact O-N 3.14Å
528	T	28.2	Very low	27	Very low	130 Å²	130	154.7 Å²	154.7	80%	0.798	82%	0.817	S	S	*	*			trans	-61.3	133.2	179.1	43.5	0	0	0	0	110.5	D530	T528-D530 PolarHBondContact O-N 2.61Å
529	N	24.7	Very low	27	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	81%	0.814	S	S	*	*			trans	-52.3	125.9	166.4	-60.7	-48.7	0	0	0	109.6
530	D	29.1	Very low	27.2	Very low	152 Å²	152	155 Å²	155	81%	0.813	81%	0.811	S	S	*	*			trans	-159.5	118.5	141.4	-89.1	-28.5	0	0	0	108.9	T528	T528-D530 PolarHBondContact O-N 2.61Å
531	E	26.5	Very low	27.2	Very low	179 Å²	179	154.1 Å²	154.1	84%	0.836	81%	0.811	S	S	*	*			trans	19.5	121	150.8	-57.7	-179.3	158.5	0	0	118.7
532	L	31.5	Very low	27.2	Very low	161 Å²	161	152.6 Å²	152.6	84%	0.843	81%	0.808	S	S	*	*			trans	-175.7	105	133.5	-95.9	162.4	0	0	0	112.4
533	N	27.7	Very low	27.3	Very low	149 Å²	149	149.6 Å²	149.6	80%	0.797	80%	0.798	S	S	*	*			trans	36.4	119.4	143	-70.1	-26.6	0	0	0	122.3	S535	N533-S535 PolarHBondContact O-N 3.37Å
534	E	26.3	Very low	27.4	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	79%	0.792	S	S	*	*			trans	-47	108.5	155.9	-70.6	176.6	125.2	0	0	113
535	S	28.1	Very low	27.5	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	79%	0.788	S	S	*	*	S	Bend	trans	172.7	131.3	131.8	41.8	0	0	0	0	110.2	N533	N533-S535 PolarHBondContact O-N 3.37Å
536	N	28.7	Very low	27.5	Very low	158 Å²	158	151.9 Å²	151.9	85%	0.845	80%	0.798	S	S	*	*	S	Bend	trans	88.9	28.1	166.7	-56.4	-32.6	0	0	0	120.8
537	L	29.5	Very low	28	Very low	158 Å²	158	150.2 Å²	150.2	83%	0.827	79%	0.786	S	S	*	*			trans	-115.1	84.4	155.2	-80.5	153	0	0	0	110	C539	L537-C539 PolarHBondContact O-N 3.44Å
538	K	26.1	Very low	28.2	Very low	211 Å²	211	146 Å²	146	92%	0.917	77%	0.771	S	S	*	*			trans	-67.7	64.3	155.7	-81	179.2	174.3	174.1	0	108.6	I540	K538-I540 PolarHBondContact O-N 2.65Å
539	C	25.8	Very low	28.6	Very low	97 Å²	97	146.5 Å²	146.5	66%	0.655	77%	0.773	S	S	*	*			trans	-79.3	116	156.1	-85.9	0	0	0	0	106.3	L537 N541	L537-C539 PolarHBondContact O-N 3.44Å; C539-N541 PolarHBondContact O-N 3.42Å
540	I	28.2	Very low	28.9	Very low	155 Å²	155	146.7 Å²	146.7	80%	0.795	77%	0.767	S	S	*	*			trans	-45	108.5	172.4	-66.5	162.2	0	0	0	107.4	K538 T542	K538-I540 PolarHBondContact O-N 2.65Å; I540-T542 PolarHBondContact O-N 3.19Å
541	N	27.2	Very low	29.2	Very low	136 Å²	136	150 Å²	150	73%	0.727	77%	0.768	S	S	*	*			trans	-54.5	104.7	171.3	-98.1	-24.1	0	0	0	108.2	C539 N543	C539-N541 PolarHBondContact O-N 3.42Å; N541-N543 PolarHBondContact O-N 2.92Å
542	T	29.6	Very low	29.8	Very low	116 Å²	116	148.8 Å²	148.8	71%	0.712	76%	0.762	S	S	*	*			trans	-70.8	60.3	166	47.4	0	0	0	0	109.4	I540	I540-T542 PolarHBondContact O-N 3.19Å
543	N	27.3	Very low	30	Very low	128 Å²	128	147.8 Å²	147.8	68%	0.684	76%	0.762	S	S	*	*			trans	-113	15.1	171.1	-82	-12.7	0	0	0	112.7	N541	N541-N543 PolarHBondContact O-N 2.92Å
544	N	26.6	Very low	31	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	76%	0.755	S	S	*	*			trans	-114.1	26.4	172.8	-80.8	-13.1	0	0	0	113.9	Q546	N544-Q546 VanDerWaalsContact C-N 3.3Å
545	Y	28.9	Very low	32.2	Very low	208 Å²	208	145.5 Å²	145.5	82%	0.816	75%	0.752	S	S	*	*			trans	-92.7	16.6	163.2	-103.5	-82.7	0	0	0	113.3	S547	Y545-S547 PolarHBondContact O-N 3.09Å
546	Q	27.9	Very low	34.1	Very low	188 Å²	188	148.2 Å²	148.2	88%	0.879	75%	0.751	S	S	*	*			trans	-89.3	45.6	146	-72.7	-176.3	-14	0	0	109.4	N544 S548	N544-Q546 VanDerWaalsContact C-N 3.3Å; Q546-S548 PolarHBondContact O-N 3.15Å
547	S	32.4	Very low	37	Very low	74 Å²	74	141.5 Å²	141.5	52%	0.517	72%	0.717	S	S	.	*			trans	-63.9	98.2	158	46.9	0	0	0	0	106	Y545 V549	Y545-S547 PolarHBondContact O-N 3.09Å; S547-V549 PolarHBondContact O-N 3.15Å
548	S	30.9	Very low	40.2	Very low	75 Å²	75	135.8 Å²	135.8	52%	0.524	68%	0.684	S	S	.	*			trans	-12.6	116.6	153.9	54.5	0	0	0	0	110.5	Q546 K550	Q546-S548 PolarHBondContact O-N 3.15Å; S548-K550 PolarHBondContact O-N 3.22Å; S548-K550 WeakPolarHBondContact OG-CG 3.41Å
549	V	36.6	Very low	43.6	Very low	139 Å²	139	128.1 Å²	128.1	84%	0.842	65%	0.651	S	S	*	*			trans	-64	71.7	158.1	-177.5	0	0	0	0	105.4	S547 R551	S547-V549 PolarHBondContact O-N 3.15Å; V549-R551 PolarHBondContact O-N 2.9Å
550	K	31.6	Very low	47	Very low	156 Å²	156	123.5 Å²	123.5	68%	0.678	62%	0.62	S	S	*	*			trans	-60.9	98.7	159.8	-80.3	176.6	-175.9	-179	0	101.2	S548 H552	S548-K550 PolarHBondContact O-N 3.22Å; S548-K550 WeakPolarHBondContact OG-CG 3.41Å; K550-H552 PolarHBondContact O-N 2.85Å
551	R	36.6	Very low	50.4	Low	222 Å²	222	116.3 Å²	116.3	84%	0.838	58%	0.583	S	S	*	*			trans	-47.1	96.3	159.2	-72.7	-179.5	177.1	169.4	-0.7	104.1	V549 T553	V549-R551 PolarHBondContact O-N 2.9Å; R551-T553 PolarHBondContact O-N 2.91Å
552	H	37.3	Very low	53.8	Low	153 Å²	153	109.8 Å²	109.8	71%	0.708	55%	0.548	S	S	*	.			trans	-58.5	106.1	171.3	-93.7	-67.8	0	0	0	102.9	K550 Q554	K550-H552 PolarHBondContact O-N 2.85Å; H552-Q554 HydrophobicContact CB-CG 3.77Å; H552-Q554 PolarHBondContact O-N 2.99Å
553	T	37.7	Very low	57	Low	139 Å²	139	104.3 Å²	104.3	85%	0.853	52%	0.515	S	S	*	.			trans	-68.5	52.5	162.6	45.3	0	0	0	0	107.5	R551 N555	R551-T553 PolarHBondContact O-N 2.91Å; T553-N555 PolarHBondContact O-N 3.38Å
554	Q	48.1	Very low	60.4	Low	139 Å²	139	100.3 Å²	100.3	65%	0.65	49%	0.49	S	S	*	.			trans	-59.4	130	161.5	-75.1	-105	-8.6	0	0	105.2	H552 K556	H552-Q554 HydrophobicContact CB-CG 3.77Å; H552-Q554 PolarHBondContact O-N 2.99Å; Q554-K556 PolarHBondContact O-N 3.4Å
555	N	51.2	Low	63.8	Low	156 Å²	156	93.6 Å²	93.6	83%	0.834	45%	0.454	S	S	*	.			trans	-42.6	104.2	172.7	-87.2	-40.9	0	0	0	109.2	T553 S557	T553-N555 PolarHBondContact O-N 3.38Å; N555-S557 PolarHBondContact O-N 2.83Å
556	K	68.6	Low	67.1	Low	159 Å²	159	83.7 Å²	83.7	69%	0.691	42%	0.415	S	S	*	.			trans	-62.8	112.2	178.4	-72.2	-169.3	176.4	-172.3	0	107	Q554 K739 D740	Q554-K556 PolarHBondContact O-N 3.4Å; K556-K739 CarbonylContact C-O 3.26Å; K556-K739 VanDerWaalsContact C-O 3.26Å; K556-K739 VanDerWaalsContact O-O 3.11Å; K556-D740 HydrophobicContact CB-CB 4.49Å; K556-D740 HydrophobicContact CD-CB 4Å
557	S	89.8	Confident	70.4	Confident	18 Å²	18	75.2 Å²	75.2	13%	0.126	38%	0.376	C	S	.	.			trans	-106.3	157.7	172.4	31.8	0	0	0	0	107.6	N555 Q559 K739 Q789 E790 N791	N555-S557 PolarHBondContact O-N 2.83Å; S557-Q559 PolarHBondContact O-N 3.48Å; S557-K739 CarbonylContact C-O 3.02Å; S557-K739 WeakPolarHBondContact CA-O 3.38Å; S557-K739 PolarHBondContact N-O 3.15Å; S557-Q789 WeakPolarHBondContact OG-CG 3.43Å; S557-Q789 PolarHBondContact OG-NE2 3Å; S557-E790 WeakPolarHBondContact CB-O 3.45Å; S557-N791 PolarHBondContact OG-OD1 3Å
558	R	96.3	Very high	73.3	Confident	37 Å²	37	73.4 Å²	73.4	14%	0.14	36%	0.357	C	S	.	.			trans	-64.2	132.9	176.1	-64.6	-168.9	-71.2	176.8	-1.9	109.4	L733 H736 S738 K739 T741 E790 W794	R558-L733 PolarHBondContact NH1-O 3.35Å; R558-L733 VanDerWaalsContact NH1-O 3.08Å; R558-H736 WeakPolarHBondContact CD-O 3.2Å; R558-H736 PolarHBondContact NH1-O 3.24Å; R558-S738 VanDerWaalsContact CD-O 3.29Å; R558-S738 WeakPolarHBondContact CD-O 3.37Å; R558-S738 WeakPolarHBondContact CG-O 3.47Å; R558-K739 PolarHBondContact N-O 3.05Å; R558-T741 WeakPolarHBondContact CA-O 3.41Å; R558-E790 HydrophobicContact CB-CB 4.09Å; R558-E790 IonicContact CZ-OE1 3.18Å; R558-E790 IonicContact CZ-OE2 2.79Å; R558-E790 IonicContact NE-OE1 3.66Å; R558-E790 IonicContact NE-OE2 2.82Å; R558-E790 PolarHBondContact NE-OE2 3.21Å; R558-E790 IonicContact NH2-OE1 3.64Å; R558-E790 PolarHBondContact NH2-OE1 3.17Å; R558-E790 IonicContact NH2-OE2 3.93Å; R558-E790 PolarHBondContact NH2-OE2 3.09Å; R558-E790 PolarHBondContact O-N 3.47Å; R558-W794 HydrophobicContact CB-CH2 4.03Å; R558-W794 HydrophobicContact CB-CZ2 4.34Å
559	Q	97.4	Very high	76.4	Confident	50 Å²	50	69.9 Å²	69.9	23%	0.234	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.3	179.5	-72.4	179.3	-24.4	0	0	110	S557 Y561 T741 C742 L743 L787 A788 Q789	S557-Q559 PolarHBondContact O-N 3.48Å; Q559-Y561 HydrophobicContact CB-CE2 4.3Å; Q559-T741 PolarHBondContact N-O 3.05Å; Q559-C742 WeakPolarHBondContact O-CA 3.37Å; Q559-L743 PolarHBondContact O-N 2.87Å; Q559-L787 HydrophobicContact CB-CD1 4.07Å; Q559-L787 HydrophobicContact CG-CD1 4.32Å; Q559-A788 WeakPolarHBondContact CA-O 3.49Å; Q559-Q789 HydrophobicContact CG-CB 4.34Å; Q559-Q789 HydrophobicContact CG-CG 4.03Å
560	M	97.8	Very high	78.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	114.4	174.8	-176.6	-179.9	76.5	0	0	109.4	V562 I729 L743 I745 C755 T756 L759 A788 W794	M560-V562 HydrophobicContact CE-CG2 3.88Å; M560-V562 HydrophobicContact CG-CG2 4.24Å; M560-I729 HydrophobicContact CE-CG2 4.44Å; M560-I729 HydrophobicContact SD-CD1 4.12Å; M560-I729 HydrophobicContact SD-CG2 4.19Å; M560-L743 HydrophobicContact CB-CB 4.39Å; M560-L743 HydrophobicContact CG-CB 4.2Å; M560-L743 HydrophobicContact CG-CD1 4.47Å; M560-I745 HydrophobicContact CG-CD1 3.95Å; M560-I745 HydrophobicContact CG-CG1 4.34Å; M560-I745 HydrophobicContact SD-CD1 3.59Å; M560-I745 VanDerWaalsContact SD-CD1 3.59Å; M560-C755 HydrophobicContact CE-CB 4.45Å; M560-T756 HydrophobicContact CE-CG2 3.75Å; M560-L759 HydrophobicContact CE-CD1 3.67Å; M560-A788 HydrophobicContact CE-CB 4.38Å; M560-A788 PolarHBondContact N-O 3.16Å; M560-A788 PolarHBondContact O-N 2.85Å; M560-W794 HydrophobicContact CB-CZ3 4.17Å
561	Y	98.4	Very high	81.5	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.6	172.2	-70.3	-103.4	0	0	0	109	Q559 L629 V634 F636 L743 I745 L785 L786 L787	Q559-Y561 HydrophobicContact CB-CE2 4.3Å; Y561-L629 HydrophobicContact CE1-CD2 4.08Å; Y561-V634 HydrophobicContact CE2-CG1 4.03Å; Y561-V634 WeakPolarHBondContact OH-CG2 3.4Å; Y561-F636 HydrophobicContact CD2-CD1 4.48Å; Y561-F636 AromaticContact CD2-CE1 3.52Å; Y561-F636 HydrophobicContact CD2-CE1 3.52Å; Y561-F636 HydrophobicContact CD2-CZ 4.26Å; Y561-F636 HydrophobicContact CE2-CE1 4.12Å; Y561-F636 AromaticContact CG-CE1 3.76Å; Y561-F636 HydrophobicContact CG-CE1 3.76Å; Y561-F636 HydrophobicContact CG-CZ 4.13Å; Y561-L743 PolarHBondContact N-O 3.17Å; Y561-I745 PolarHBondContact O-N 2.68Å; Y561-L785 HydrophobicContact CD1-CD1 4.09Å; Y561-L785 HydrophobicContact CD1-CD2 4.15Å; Y561-L785 HydrophobicContact CD1-CG 4.27Å; Y561-L786 CarbonylContact C-O 3.55Å; Y561-L786 VanDerWaalsContact CA-O 3.31Å; Y561-L786 WeakPolarHBondContact CA-O 3.34Å; Y561-L787 HydrophobicContact CD1-CB 4.35Å; Y561-L787 HydrophobicContact CD1-CD1 4.16Å; Y561-L787 HydrophobicContact CD2-CD1 3.67Å; Y561-L787 HydrophobicContact CE1-CB 4.22Å; Y561-L787 HydrophobicContact CE1-CD1 3.95Å; Y561-L787 HydrophobicContact CE1-CD2 3.97Å; Y561-L787 HydrophobicContact CE1-CG 4.27Å; Y561-L787 HydrophobicContact CE2-CD1 3.43Å; Y561-L787 VanDerWaalsContact CE2-CD1 3.43Å; Y561-L787 HydrophobicContact CE2-CD2 4.39Å; Y561-L787 HydrophobicContact CE2-CG 4.48Å; Y561-L787 HydrophobicContact CG-CD1 4.05Å
562	V	98.5	Very high	84	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.7	175.3	-169.3	0	0	0	0	108.6	M560 I745 L752 C755 T756 L786	M560-V562 HydrophobicContact CE-CG2 3.88Å; M560-V562 HydrophobicContact CG-CG2 4.24Å; V562-I745 CarbonylContact C-O 3.5Å; V562-I745 WeakPolarHBondContact CA-O 3.43Å; V562-I745 HydrophobicContact CG1-CB 4.38Å; V562-I745 HydrophobicContact CG1-CG2 4.29Å; V562-I745 HydrophobicContact CG2-CB 4.36Å; V562-L752 HydrophobicContact CG1-CD1 4.31Å; V562-L752 HydrophobicContact CG1-CG 4.35Å; V562-C755 HydrophobicContact CG1-CB 4.21Å; V562-C755 HydrophobicContact CG2-CB 4.01Å; V562-T756 HydrophobicContact CG2-CG2 4.07Å; V562-L786 PolarHBondContact N-O 3.25Å; V562-L786 PolarHBondContact O-N 2.78Å
563	M	98.2	Very high	86.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.6	-171.3	-171.1	-178.5	176.8	0	0	111.2	T625 T650 L654 I745 A747 C783 G784 L785	M563-T625 HydrophobicContact CE-CG2 3.9Å; M563-T625 HydrophobicContact SD-CG2 4.44Å; M563-T650 HydrophobicContact CE-CG2 4.1Å; M563-T650 HydrophobicContact SD-CG2 4.46Å; M563-L654 HydrophobicContact CE-CD1 3.96Å; M563-L654 HydrophobicContact SD-CD1 3.37Å; M563-L654 WeakPolarHBondContact SD-CD1 3.5Å; M563-I745 PolarHBondContact N-O 3.06Å; M563-A747 PolarHBondContact O-N 2.98Å; M563-C783 HydrophobicContact CE-CB 3.35Å; M563-C783 WeakPolarHBondContact CE-SG 3.5Å; M563-G784 VanDerWaalsContact CA-O 3.31Å; M563-G784 WeakPolarHBondContact CA-O 3.38Å; M563-L785 HydrophobicContact CB-CD1 3.85Å; M563-L785 HydrophobicContact CG-CD1 4.15Å
564	R	98.1	Very high	88.1	Confident	45 Å²	45	41.7 Å²	41.7	17%	0.17	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	141.4	167.9	-176.2	-173.3	178.3	-169.5	-4.2	109.5	A749 L752 V780 P781 C783 G784	R564-A749 HydrophobicContact CG-CB 4.32Å; R564-L752 HydrophobicContact CB-CD1 4.2Å; R564-V780 HydrophobicContact CB-CG1 4.12Å; R564-V780 PolarHBondContact NH1-O 3.26Å; R564-P781 WeakPolarHBondContact CD-O 3.4Å; R564-C783 WeakPolarHBondContact O-CA 3.25Å; R564-C783 PolarHBondContact O-N 2.9Å; R564-G784 PolarHBondContact N-O 2.79Å
565	H	98.5	Very high	89	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.014	21%	0.205	C	C	.	.			trans	-50.6	159.9	168.1	66.3	70.7	0	0	0	112.9	R568 R646 T650 A747 H748 Y782 C783	H565-R568 VanDerWaalsContact CE1-CD 3.46Å; H565-R568 WeakPolarHBondContact CE1-CD 3.3Å; H565-R646 HydrophobicContact CB-CB 4.3Å; H565-R646 HydrophobicContact CB-CG 4.09Å; H565-R646 PolarHBondContact CD2-NE 2.99Å; H565-R646 PolarHBondContact NE2-NE 3.34Å; H565-T650 WeakPolarHBondContact CA-OG1 3.41Å; H565-A747 PolarHBondContact CD2-O 3.48Å; H565-A747 PolarHBondContact N-O 3.05Å; H565-H748 AromaticContact CD2-ND1 3.51Å; H565-H748 AromaticContact NE2-ND1 3.83Å; H565-Y782 AromaticContact CE1-CE1 3.81Å; H565-Y782 WeakPolarHBondContact O-CD1 3.48Å; H565-C783 PolarHBondContact O-N 3.5Å
566	A	97.4	Very high	89.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-75.9	-177.8	179.1	0	0	0	0	0	113.5	R568 I614 G618 S622 T650 Y782 C783	A566-R568 PolarHBondContact O-N 3.43Å; A566-I614 HydrophobicContact CB-CB 4.44Å; A566-I614 HydrophobicContact CB-CD1 4.2Å; A566-I614 HydrophobicContact CB-CG2 4.07Å; A566-G618 VanDerWaalsContact CB-O 3.24Å; A566-G618 WeakPolarHBondContact CB-O 3.49Å; A566-S622 WeakPolarHBondContact CB-OG 3.48Å; A566-T650 HydrophobicContact CB-CG2 4.37Å; A566-T650 PolarHBondContact N-OG1 3.35Å; A566-Y782 VanDerWaalsContact C-CD1 3.47Å; A566-Y782 VanDerWaalsContact O-CD1 3.25Å; A566-Y782 WeakPolarHBondContact O-CD1 3.38Å; A566-C783 VanDerWaalsContact CB-SG 3.58Å
567	E	96.3	Very high	90.4	Very high	11 Å²	11	27.6 Å²	27.6	5%	0.051	15%	0.146	C	C	.	.			trans	-54.4	129.2	-177.4	-178.4	-175.7	-105.5	0	0	112	T572 N594 I614 T615 Y782	E567-T572 VanDerWaalsContact CD-OG1 3.28Å; E567-T572 WeakPolarHBondContact CG-OG1 3.35Å; E567-N594 PolarHBondContact OE2-ND2 2.82Å; E567-I614 CarbonylContact O-C 3.57Å; E567-I614 WeakPolarHBondContact O-CA 3.3Å; E567-I614 VanDerWaalsContact O-CB 3.22Å; E567-I614 WeakPolarHBondContact O-CB 3.3Å; E567-T615 WeakPolarHBondContact CB-OG1 3.27Å; E567-T615 HydrophobicContact CG-CG2 3.96Å; E567-T615 PolarHBondContact O-N 2.85Å; E567-T615 VanDerWaalsContact OE2-CB 3.29Å; E567-T615 WeakPolarHBondContact OE2-CB 3.17Å; E567-T615 VanDerWaalsContact OE2-CG2 3.28Å; E567-T615 WeakPolarHBondContact OE2-CG2 3.47Å; E567-T615 PolarHBondContact OE2-OG1 3.14Å; E567-Y782 HydrophobicContact CB-CD2 3.87Å; E567-Y782 HydrophobicContact CB-CE2 4.04Å; E567-Y782 HydrophobicContact CB-CG 4.27Å; E567-Y782 HydrophobicContact CG-CD2 4.21Å; E567-Y782 HydrophobicContact CG-CE2 3.93Å
568	R	94.7	Very high	89.8	Confident	36 Å²	36	26.9 Å²	26.9	14%	0.136	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-91.3	142.6	-177.4	-59.1	162.2	59.6	143.4	-4.1	112	H565 A566 D570 I571 T572 Y782	H565-R568 VanDerWaalsContact CE1-CD 3.46Å; H565-R568 WeakPolarHBondContact CE1-CD 3.3Å; A566-R568 PolarHBondContact O-N 3.43Å; R568-D570 WeakPolarHBondContact CB-OD1 3.47Å; R568-D570 IonicContact CZ-OD1 2.8Å; R568-D570 IonicContact CZ-OD2 3.11Å; R568-D570 IonicContact NE-OD1 2.7Å; R568-D570 PolarHBondContact NE-OD1 3.39Å; R568-D570 IonicContact NE-OD2 2.63Å; R568-D570 PolarHBondContact NE-OD2 3.33Å; R568-D570 IonicContact NH2-OD1 3.51Å; R568-D570 IonicContact NH2-OD2 3.26Å; R568-D570 PolarHBondContact NH2-OD2 2.89Å; R568-I571 HydrophobicContact CB-CB 4.5Å; R568-I571 HydrophobicContact CB-CG1 4.27Å; R568-T572 PolarHBondContact O-N 2.83Å; R568-T572 PolarHBondContact O-OG1 2.85Å; R568-T572 VanDerWaalsContact O-OG1 3.1Å; R568-Y782 HydrophobicContact CG-CE1 4.15Å
569	V	95.2	Very high	88.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175	169.1	0	0	0	0	112.3	I571 T572 F573 W577 L595 P596 S612 P613 T615	V569-I571 PolarHBondContact O-N 3.15Å; V569-T572 PolarHBondContact O-N 3.24Å; V569-F573 HydrophobicContact CG1-CD2 3.98Å; V569-F573 WeakPolarHBondContact O-CD2 3.34Å; V569-F573 PolarHBondContact O-N 3.14Å; V569-W577 HydrophobicContact CB-CZ2 4.48Å; V569-W577 HydrophobicContact CG1-CB 4.44Å; V569-W577 HydrophobicContact CG1-CD2 3.34Å; V569-W577 VanDerWaalsContact CG1-CE2 3.47Å; V569-W577 HydrophobicContact CG1-CE3 3.69Å; V569-W577 HydrophobicContact CG1-CG 3.72Å; V569-W577 HydrophobicContact CG1-CH2 4.23Å; V569-W577 HydrophobicContact CG1-CZ2 3.92Å; V569-W577 HydrophobicContact CG1-CZ3 4.12Å; V569-L595 HydrophobicContact CB-CD2 4.49Å; V569-L595 HydrophobicContact CG1-CD2 3.47Å; V569-L595 VanDerWaalsContact CG1-CD2 3.47Å; V569-L595 HydrophobicContact CG2-CD2 4.2Å; V569-P596 HydrophobicContact CG2-CG 4.27Å; V569-S612 PolarHBondContact N-OG 3.27Å; V569-P613 HydrophobicContact CB-CG 4.14Å; V569-P613 HydrophobicContact CG2-CG 3.87Å; V569-P613 PolarHBondContact N-O 3.17Å; V569-T615 HydrophobicContact CB-CG2 4.49Å; V569-T615 HydrophobicContact CG2-CG2 3.86Å
570	D	86	Confident	87.9	Confident	6 Å²	6	31.8 Å²	31.8	3%	0.032	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-37.1	-176.8	64.8	-20.6	0	0	0	114	R568 G574 S612	R568-D570 WeakPolarHBondContact CB-OD1 3.47Å; R568-D570 IonicContact CZ-OD1 2.8Å; R568-D570 IonicContact CZ-OD2 3.11Å; R568-D570 IonicContact NE-OD1 2.7Å; R568-D570 PolarHBondContact NE-OD1 3.39Å; R568-D570 IonicContact NE-OD2 2.63Å; R568-D570 PolarHBondContact NE-OD2 3.33Å; R568-D570 IonicContact NH2-OD1 3.51Å; R568-D570 IonicContact NH2-OD2 3.26Å; R568-D570 PolarHBondContact NH2-OD2 2.89Å; D570-G574 CarbonylContact O-C 3.58Å; D570-G574 WeakPolarHBondContact O-CA 3.22Å; D570-G574 PolarHBondContact O-N 3.29Å; D570-S612 VanDerWaalsContact CG-CB 3.43Å; D570-S612 PolarHBondContact N-OG 3.15Å; D570-S612 VanDerWaalsContact N-OG 3.14Å; D570-S612 PolarHBondContact OD1-OG 3.18Å
571	I	88.6	Confident	87.1	Confident	94 Å²	94	31.9 Å²	31.9	48%	0.482	17%	0.173	S	C	.	.	H	α-helix	trans	-74.9	-33.3	175.4	-58.4	-57	0	0	0	111.7	R568 V569 R809	R568-I571 HydrophobicContact CB-CB 4.5Å; R568-I571 HydrophobicContact CB-CG1 4.27Å; V569-I571 PolarHBondContact O-N 3.15Å; I571-R809 PolarHBondContact O-NH1 3.27Å
572	T	89.6	Confident	86.3	Confident	35 Å²	35	32.7 Å²	32.7	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-75.5	-39.8	-179.3	-64	0	0	0	0	112.3	E567 R568 V569 T615	E567-T572 VanDerWaalsContact CD-OG1 3.28Å; E567-T572 WeakPolarHBondContact CG-OG1 3.35Å; R568-T572 PolarHBondContact O-N 2.83Å; R568-T572 PolarHBondContact O-OG1 2.85Å; R568-T572 VanDerWaalsContact O-OG1 3.1Å; V569-T572 PolarHBondContact O-N 3.24Å; T572-T615 HydrophobicContact CG2-CG2 4.47Å
573	F	85.9	Confident	85.1	Confident	48 Å²	48	33.8 Å²	33.8	21%	0.211	18%	0.182	C	C	.	.	H	α-helix	trans	-113.7	-4	-172.4	-63.7	-77.4	0	0	0	114.6	V569 W577 F591 N592 N594 L595 T615	V569-F573 HydrophobicContact CG1-CD2 3.98Å; V569-F573 WeakPolarHBondContact O-CD2 3.34Å; V569-F573 PolarHBondContact O-N 3.14Å; F573-W577 HydrophobicContact CB-CB 3.84Å; F573-F591 HydrophobicContact CB-CZ 4.49Å; F573-F591 AromaticContact CD1-CE2 3.95Å; F573-F591 HydrophobicContact CD1-CE2 3.95Å; F573-F591 AromaticContact CD1-CZ 3.85Å; F573-F591 HydrophobicContact CD1-CZ 3.85Å; F573-F591 HydrophobicContact CE1-CE2 4.17Å; F573-F591 HydrophobicContact CE1-CZ 4.39Å; F573-F591 HydrophobicContact CG-CZ 4.32Å; F573-N592 HydrophobicContact CE1-CB 3.64Å; F573-N592 HydrophobicContact CZ-CB 3.85Å; F573-N594 HydrophobicContact CZ-CB 4.01Å; F573-L595 HydrophobicContact CD2-CD2 3.64Å; F573-L595 HydrophobicContact CD2-CG 4.21Å; F573-L595 HydrophobicContact CE2-CD2 3.59Å; F573-L595 HydrophobicContact CE2-CG 3.73Å; F573-L595 HydrophobicContact CG-CD2 4.31Å; F573-L595 HydrophobicContact CZ-CD2 4.24Å; F573-L595 HydrophobicContact CZ-CG 3.89Å; F573-T615 HydrophobicContact CE2-CG2 4.38Å
574	G	75.9	Confident	83.6	Confident	34 Å²	34	39.1 Å²	39.1	35%	0.351	21%	0.207	S	C	.	.			trans	75.1	161.2	-175.2	0	0	0	0	0	112.8	D570 G576 W577	D570-G574 CarbonylContact O-C 3.58Å; D570-G574 WeakPolarHBondContact O-CA 3.22Å; D570-G574 PolarHBondContact O-N 3.29Å; G574-G576 PolarHBondContact O-N 2.96Å; G574-W577 PolarHBondContact O-N 2.92Å; G574-W577 VanDerWaalsContact O-N 3.13Å
575	H	66.8	Low	82	Confident	131 Å²	131	40.8 Å²	40.8	61%	0.606	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.9	-173.9	-63.2	-66.5	0	0	0	115.1	W577	H575-W577 PolarHBondContact O-N 2.98Å
576	G	67.7	Low	80.7	Confident	27 Å²	27	42 Å²	42	28%	0.278	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.5	178.4	0	0	0	0	0	115.1	G574 I578 T579 Q580	G574-G576 PolarHBondContact O-N 2.96Å; G576-I578 PolarHBondContact O-N 3.28Å; G576-I578 VanDerWaalsContact O-N 3.14Å; G576-T579 PolarHBondContact O-N 2.82Å; G576-T579 VanDerWaalsContact O-N 3.14Å; G576-T579 PolarHBondContact O-OG1 2.99Å; G576-Q580 PolarHBondContact O-N 3.17Å
577	W	81.3	Confident	79.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.5	-33.9	-177.9	78	-92.3	0	0	0	112.9	V569 F573 G574 H575 T579 Q580 C581 F582 Y588 L595 L599 Y608 P613	V569-W577 HydrophobicContact CB-CZ2 4.48Å; V569-W577 HydrophobicContact CG1-CB 4.44Å; V569-W577 HydrophobicContact CG1-CD2 3.34Å; V569-W577 VanDerWaalsContact CG1-CE2 3.47Å; V569-W577 HydrophobicContact CG1-CE3 3.69Å; V569-W577 HydrophobicContact CG1-CG 3.72Å; V569-W577 HydrophobicContact CG1-CH2 4.23Å; V569-W577 HydrophobicContact CG1-CZ2 3.92Å; V569-W577 HydrophobicContact CG1-CZ3 4.12Å; F573-W577 HydrophobicContact CB-CB 3.84Å; G574-W577 PolarHBondContact O-N 2.92Å; G574-W577 VanDerWaalsContact O-N 3.13Å; H575-W577 PolarHBondContact O-N 2.98Å; W577-T579 PolarHBondContact O-N 3.15Å; W577-Q580 PolarHBondContact O-N 3.49Å; W577-Q580 VanDerWaalsContact O-N 3.15Å; W577-C581 HydrophobicContact CE3-CB 4.07Å; W577-C581 HydrophobicContact CZ3-CB 4.32Å; W577-C581 WeakPolarHBondContact O-CB 3.48Å; W577-C581 PolarHBondContact O-N 3.12Å; W577-C581 PolarHBondContact O-SG 3.38Å; W577-F582 HydrophobicContact CH2-CE2 4.07Å; W577-F582 AromaticContact CZ3-CE2 3.79Å; W577-F582 HydrophobicContact CZ3-CE2 3.79Å; W577-Y588 HydrophobicContact CZ3-CE2 4.01Å; W577-L595 HydrophobicContact CE3-CD2 4.39Å; W577-L599 HydrophobicContact CH2-CD1 3.73Å; W577-L599 HydrophobicContact CZ3-CD1 3.87Å; W577-Y608 HydrophobicContact CH2-CG 4.34Å; W577-P613 HydrophobicContact CH2-CG 3.93Å; W577-P613 HydrophobicContact CZ2-CG 4.18Å
578	I	77.5	Confident	79.2	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-44.4	-179	-69.8	168.4	0	0	0	110.8	G576 Q580 C581 F582 F606 I609	G576-I578 PolarHBondContact O-N 3.28Å; G576-I578 VanDerWaalsContact O-N 3.14Å; I578-Q580 PolarHBondContact O-N 3.3Å; I578-C581 PolarHBondContact O-N 2.99Å; I578-F582 HydrophobicContact CB-CD2 4.3Å; I578-F582 HydrophobicContact CG1-CE2 4.48Å; I578-F582 HydrophobicContact CG2-CD2 3.76Å; I578-F582 HydrophobicContact CG2-CE2 4.37Å; I578-F582 HydrophobicContact CG2-CG 4.47Å; I578-F582 WeakPolarHBondContact O-CB 3.34Å; I578-F582 WeakPolarHBondContact O-CD2 3.41Å; I578-F582 PolarHBondContact O-N 3.44Å; I578-F606 HydrophobicContact CG2-CD1 3.92Å; I578-F606 HydrophobicContact CG2-CE1 4.13Å; I578-I609 HydrophobicContact CD1-CB 4.06Å; I578-I609 HydrophobicContact CD1-CG1 3.31Å
579	T	75.4	Confident	78.3	Confident	100 Å²	100	44.3 Å²	44.3	61%	0.613	24%	0.239	S	C	*	.	H	α-helix	trans	-67.8	-20.7	177.2	59.7	0	0	0	0	113.4	G576 W577	G576-T579 PolarHBondContact O-N 2.82Å; G576-T579 VanDerWaalsContact O-N 3.14Å; G576-T579 PolarHBondContact O-OG1 2.99Å; W577-T579 PolarHBondContact O-N 3.15Å
580	Q	78	Confident	77.9	Confident	91 Å²	91	50 Å²	50	43%	0.425	26%	0.261	S	S	.	.	H	α-helix	trans	-87.7	-29.8	175.8	-64.4	177.8	2	0	0	112.2	G576 W577 I578 F591	G576-Q580 PolarHBondContact O-N 3.17Å; W577-Q580 PolarHBondContact O-N 3.49Å; W577-Q580 VanDerWaalsContact O-N 3.15Å; I578-Q580 PolarHBondContact O-N 3.3Å; Q580-F591 HydrophobicContact CB-CD1 3.78Å; Q580-F591 HydrophobicContact CB-CE1 3.65Å
581	C	82.1	Confident	77.7	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-95.9	-32.3	-176	-67.9	0	0	0	0	113.7	W577 I578 Y588 R589 F591 L595	W577-C581 HydrophobicContact CE3-CB 4.07Å; W577-C581 HydrophobicContact CZ3-CB 4.32Å; W577-C581 WeakPolarHBondContact O-CB 3.48Å; W577-C581 PolarHBondContact O-N 3.12Å; W577-C581 PolarHBondContact O-SG 3.38Å; I578-C581 PolarHBondContact O-N 2.99Å; C581-Y588 HydrophobicContact CB-CD2 3.8Å; C581-Y588 HydrophobicContact CB-CE2 3.67Å; C581-Y588 CarbonylContact O-C 3.56Å; C581-Y588 WeakPolarHBondContact O-CA 3.06Å; C581-R589 WeakPolarHBondContact CA-O 3.03Å; C581-R589 WeakPolarHBondContact CB-O 3.32Å; C581-R589 PolarHBondContact O-N 2.92Å; C581-R589 PolarHBondContact SG-O 3.26Å; C581-F591 VanDerWaalsContact SG-CD1 3.53Å; C581-F591 WeakPolarHBondContact SG-CE1 3.28Å; C581-L595 VanDerWaalsContact SG-CD1 3.54Å
582	F	81.9	Confident	77.7	Confident	21 Å²	21	53.3 Å²	53.3	9%	0.092	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-104.5	125.6	-179.2	-67.2	-91.9	0	0	0	109.6	W577 I578 G586 V587 Y588 L599 C605 Y608	W577-F582 HydrophobicContact CH2-CE2 4.07Å; W577-F582 AromaticContact CZ3-CE2 3.79Å; W577-F582 HydrophobicContact CZ3-CE2 3.79Å; I578-F582 HydrophobicContact CB-CD2 4.3Å; I578-F582 HydrophobicContact CG1-CE2 4.48Å; I578-F582 HydrophobicContact CG2-CD2 3.76Å; I578-F582 HydrophobicContact CG2-CE2 4.37Å; I578-F582 HydrophobicContact CG2-CG 4.47Å; I578-F582 WeakPolarHBondContact O-CB 3.34Å; I578-F582 WeakPolarHBondContact O-CD2 3.41Å; I578-F582 PolarHBondContact O-N 3.44Å; F582-G586 WeakPolarHBondContact CD1-O 3.11Å; F582-V587 WeakPolarHBondContact CA-O 3.4Å; F582-Y588 HydrophobicContact CD2-CD2 4.24Å; F582-Y588 HydrophobicContact CE1-CD2 4.08Å; F582-Y588 HydrophobicContact CE1-CG 4.29Å; F582-Y588 AromaticContact CE2-CD2 3.72Å; F582-Y588 HydrophobicContact CE2-CD2 3.72Å; F582-Y588 HydrophobicContact CE2-CE2 4.41Å; F582-Y588 AromaticContact CZ-CD2 3.64Å; F582-Y588 HydrophobicContact CZ-CD2 3.64Å; F582-Y588 HydrophobicContact CZ-CG 4.2Å; F582-L599 HydrophobicContact CE2-CD1 4.16Å; F582-L599 HydrophobicContact CZ-CD1 3.81Å; F582-C605 HydrophobicContact CB-CB 4.46Å; F582-C605 HydrophobicContact CD1-CB 3.57Å; F582-C605 HydrophobicContact CD2-CB 4.38Å; F582-C605 HydrophobicContact CE1-CB 3.74Å; F582-C605 HydrophobicContact CG-CB 3.9Å; F582-C605 HydrophobicContact CZ-CB 4.22Å; F582-Y608 HydrophobicContact CE1-CE2 4.46Å; F582-Y608 HydrophobicContact CE2-CD2 4.1Å; F582-Y608 AromaticContact CZ-CD2 3.63Å; F582-Y608 HydrophobicContact CZ-CD2 3.63Å; F582-Y608 AromaticContact CZ-CE2 3.81Å; F582-Y608 HydrophobicContact CZ-CE2 3.81Å
583	N	71.8	Confident	77.8	Confident	22 Å²	22	57.9 Å²	57.9	12%	0.118	30%	0.297	C	S	.	.			trans	-74.9	172	164.7	69.1	14.7	0	0	0	110.4	E259 K585 G586 V587	E259-N583 WeakPolarHBondContact OE1-CB 3.48Å; E259-N583 PolarHBondContact OE1-ND2 2.68Å; N583-K585 PolarHBondContact O-N 2.78Å; N583-K585 WeakPolarHBondContact OD1-CB 3.03Å; N583-K585 PolarHBondContact OD1-N 2.85Å; N583-K585 VanDerWaalsContact OD1-N 3.11Å; N583-G586 PolarHBondContact O-N 2.75Å; N583-G586 PolarHBondContact OD1-N 2.77Å; N583-V587 PolarHBondContact N-O 3Å; N583-V587 WeakPolarHBondContact OD1-CB 3.39Å; N583-V587 PolarHBondContact OD1-N 3.09Å
584	H	66.3	Low	78.2	Confident	113 Å²	113	56.7 Å²	56.7	52%	0.523	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12	179.5	52.1	-83.3	0	0	0	113.8	S257	S257-H584 WeakPolarHBondContact CA-CD2 3.41Å; S257-H584 WeakPolarHBondContact CA-CE1 3.23Å; S257-H584 WeakPolarHBondContact CA-NE2 3.17Å; S257-H584 WeakPolarHBondContact CB-CD2 3.47Å; S257-H584 WeakPolarHBondContact CB-NE2 3.41Å; S257-H584 PolarHBondContact O-CE1 3.35Å; S257-H584 PolarHBondContact O-NE2 3.02Å
585	K	65.5	Low	79.2	Confident	80 Å²	80	55.1 Å²	55.1	35%	0.348	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.6	171.6	-74.9	-170.8	175.7	-155	0	112.9	S257 F346 N583 V587	S257-K585 WeakPolarHBondContact OG-CE 2.92Å; F346-K585 PolarHBondContact O-NZ 3.24Å; N583-K585 PolarHBondContact O-N 2.78Å; N583-K585 WeakPolarHBondContact OD1-CB 3.03Å; N583-K585 PolarHBondContact OD1-N 2.85Å; N583-K585 VanDerWaalsContact OD1-N 3.11Å; K585-V587 VanDerWaalsContact C-N 3.35Å; K585-V587 HydrophobicContact CB-CG2 4.18Å
586	G	71	Confident	80.4	Confident	29 Å²	29	48.9 Å²	48.9	30%	0.299	25%	0.248	S	C	.	.			trans	78.5	16	-174.2	0	0	0	0	0	113.9	F582 N583 Y588	F582-G586 WeakPolarHBondContact CD1-O 3.11Å; N583-G586 PolarHBondContact O-N 2.75Å; N583-G586 PolarHBondContact OD1-N 2.77Å; G586-Y588 PolarHBondContact O-N 3.4Å
587	V	77	Confident	81.3	Confident	16 Å²	16	51.3 Å²	51.3	10%	0.097	26%	0.259	C	S	.	.			trans	-78.6	120.9	174.8	-177.8	0	0	0	0	109.2	F582 N583 K585	F582-V587 WeakPolarHBondContact CA-O 3.4Å; N583-V587 PolarHBondContact N-O 3Å; N583-V587 WeakPolarHBondContact OD1-CB 3.39Å; N583-V587 PolarHBondContact OD1-N 3.09Å; K585-V587 VanDerWaalsContact C-N 3.35Å; K585-V587 HydrophobicContact CB-CG2 4.18Å
588	Y	85.2	Confident	81.6	Confident	33 Å²	33	53.9 Å²	53.9	13%	0.129	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-80.4	137.5	-180	174.8	-104.7	0	0	0	112.9	W577 C581 F582 G586 L595 P596 L599	W577-Y588 HydrophobicContact CZ3-CE2 4.01Å; C581-Y588 HydrophobicContact CB-CD2 3.8Å; C581-Y588 HydrophobicContact CB-CE2 3.67Å; C581-Y588 CarbonylContact O-C 3.56Å; C581-Y588 WeakPolarHBondContact O-CA 3.06Å; F582-Y588 HydrophobicContact CD2-CD2 4.24Å; F582-Y588 HydrophobicContact CE1-CD2 4.08Å; F582-Y588 HydrophobicContact CE1-CG 4.29Å; F582-Y588 AromaticContact CE2-CD2 3.72Å; F582-Y588 HydrophobicContact CE2-CD2 3.72Å; F582-Y588 HydrophobicContact CE2-CE2 4.41Å; F582-Y588 AromaticContact CZ-CD2 3.64Å; F582-Y588 HydrophobicContact CZ-CD2 3.64Å; F582-Y588 HydrophobicContact CZ-CG 4.2Å; G586-Y588 PolarHBondContact O-N 3.4Å; Y588-L595 WeakPolarHBondContact OH-CB 3.26Å; Y588-P596 WeakPolarHBondContact CE1-O 3.49Å; Y588-P596 WeakPolarHBondContact OH-CD 3.24Å; Y588-P596 PolarHBondContact OH-O 2.93Å; Y588-L599 HydrophobicContact CD1-CB 4.4Å; Y588-L599 HydrophobicContact CD1-CG 4.31Å; Y588-L599 HydrophobicContact CD2-CD1 3.63Å; Y588-L599 HydrophobicContact CD2-CG 4.21Å; Y588-L599 HydrophobicContact CE1-CD1 4.46Å; Y588-L599 HydrophobicContact CE1-CG 4.14Å; Y588-L599 HydrophobicContact CE2-CD1 3.46Å; Y588-L599 VanDerWaalsContact CE2-CD1 3.46Å; Y588-L599 HydrophobicContact CE2-CG 4.05Å; Y588-L599 HydrophobicContact CG-CB 4.32Å; Y588-L599 HydrophobicContact CG-CD1 4.19Å; Y588-L599 HydrophobicContact CG-CG 4.32Å
589	R	75.2	Confident	82.2	Confident	46 Å²	46	54 Å²	54	17%	0.174	27%	0.269	C	S	.	.			trans	-143.4	136.5	177.4	-65.6	179.6	175.7	-149	-29.6	110.1	E259 F261 C581	E259-R589 IonicContact OE2-CZ 3.81Å; E259-R589 IonicContact OE2-NH1 3.84Å; E259-R589 PolarHBondContact OE2-NH1 2.93Å; F261-R589 VanDerWaalsContact CE2-NH1 3.34Å; C581-R589 WeakPolarHBondContact CA-O 3.03Å; C581-R589 WeakPolarHBondContact CB-O 3.32Å; C581-R589 PolarHBondContact O-N 2.92Å; C581-R589 PolarHBondContact SG-O 3.26Å
590	R	86.3	Confident	82.9	Confident	120 Å²	120	49.5 Å²	49.5	45%	0.453	24%	0.242	S	C	.	.			trans	-87.7	129.2	172.1	57.8	-179.1	-174.9	150.4	5.1	110.7	L593 L595	R590-L593 VanDerWaalsContact NH1-CD2 3.29Å; R590-L595 HydrophobicContact CB-CB 3.81Å; R590-L595 HydrophobicContact CB-CD1 4.09Å
591	F	82.2	Confident	83.3	Confident	99 Å²	99	51.1 Å²	51.1	43%	0.434	26%	0.257	S	S	.	.	S	Bend	trans	-94.4	-9.1	166.9	64	-96.7	0	0	0	112.6	F573 Q580 C581 L595	F573-F591 HydrophobicContact CB-CZ 4.49Å; F573-F591 AromaticContact CD1-CE2 3.95Å; F573-F591 HydrophobicContact CD1-CE2 3.95Å; F573-F591 AromaticContact CD1-CZ 3.85Å; F573-F591 HydrophobicContact CD1-CZ 3.85Å; F573-F591 HydrophobicContact CE1-CE2 4.17Å; F573-F591 HydrophobicContact CE1-CZ 4.39Å; F573-F591 HydrophobicContact CG-CZ 4.32Å; Q580-F591 HydrophobicContact CB-CD1 3.78Å; Q580-F591 HydrophobicContact CB-CE1 3.65Å; C581-F591 VanDerWaalsContact SG-CD1 3.53Å; C581-F591 WeakPolarHBondContact SG-CE1 3.28Å; F591-L595 HydrophobicContact CD1-CD1 3.69Å; F591-L595 HydrophobicContact CD2-CD1 4.41Å; F591-L595 HydrophobicContact CE1-CD1 3.59Å; F591-L595 HydrophobicContact CE2-CD1 4.32Å; F591-L595 HydrophobicContact CG-CD1 4.11Å; F591-L595 HydrophobicContact CZ-CD1 3.92Å
592	N	88.8	Confident	83.4	Confident	70 Å²	70	52.3 Å²	52.3	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-138.3	139.3	-179	-173	-67	0	0	0	109.6	F573 N594 L595	F573-N592 HydrophobicContact CE1-CB 3.64Å; F573-N592 HydrophobicContact CZ-CB 3.85Å; N592-N594 PolarHBondContact O-N 3.31Å; N592-N594 WeakPolarHBondContact OD1-CB 2.88Å; N592-N594 PolarHBondContact OD1-N 2.97Å; N592-L595 HydrophobicContact CB-CD1 4.14Å; N592-L595 HydrophobicContact CB-CG 4.39Å; N592-L595 WeakPolarHBondContact O-CB 3.19Å; N592-L595 PolarHBondContact O-N 3.05Å
593	L	92.6	Very high	83.3	Confident	131 Å²	131	57.4 Å²	57.4	69%	0.686	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.2	-178	-65.1	179.8	0	0	0	113.8	R590 L595 Q616	R590-L593 VanDerWaalsContact NH1-CD2 3.29Å; L593-L595 VanDerWaalsContact C-N 3.27Å; L593-Q616 WeakPolarHBondContact O-CG 3.35Å
594	N	94.7	Very high	83.7	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.123	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.8	173.9	-168.8	33.8	0	0	0	113	E567 F573 N592 T615 Q616 I617	E567-N594 PolarHBondContact OE2-ND2 2.82Å; F573-N594 HydrophobicContact CZ-CB 4.01Å; N592-N594 PolarHBondContact O-N 3.31Å; N592-N594 WeakPolarHBondContact OD1-CB 2.88Å; N592-N594 PolarHBondContact OD1-N 2.97Å; N594-T615 CarbonylContact O-C 3.17Å; N594-T615 WeakPolarHBondContact O-CA 3.32Å; N594-T615 WeakPolarHBondContact O-CB 3.34Å; N594-T615 WeakPolarHBondContact OD1-CB 3.46Å; N594-Q616 PolarHBondContact O-N 2.8Å; N594-Q616 PolarHBondContact OD1-N 3.42Å; N594-I617 WeakPolarHBondContact OD1-CB 3.16Å; N594-I617 WeakPolarHBondContact OD1-CG1 3.49Å; N594-I617 PolarHBondContact OD1-N 3.38Å
595	L	94.8	Very high	84.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-74.2	146.3	168.2	-70.7	162.6	0	0	0	110.5	V569 F573 W577 C581 Y588 R590 F591 N592 L593 Q616	V569-L595 HydrophobicContact CB-CD2 4.49Å; V569-L595 HydrophobicContact CG1-CD2 3.47Å; V569-L595 VanDerWaalsContact CG1-CD2 3.47Å; V569-L595 HydrophobicContact CG2-CD2 4.2Å; F573-L595 HydrophobicContact CD2-CD2 3.64Å; F573-L595 HydrophobicContact CD2-CG 4.21Å; F573-L595 HydrophobicContact CE2-CD2 3.59Å; F573-L595 HydrophobicContact CE2-CG 3.73Å; F573-L595 HydrophobicContact CG-CD2 4.31Å; F573-L595 HydrophobicContact CZ-CD2 4.24Å; F573-L595 HydrophobicContact CZ-CG 3.89Å; W577-L595 HydrophobicContact CE3-CD2 4.39Å; C581-L595 VanDerWaalsContact SG-CD1 3.54Å; Y588-L595 WeakPolarHBondContact OH-CB 3.26Å; R590-L595 HydrophobicContact CB-CB 3.81Å; R590-L595 HydrophobicContact CB-CD1 4.09Å; F591-L595 HydrophobicContact CD1-CD1 3.69Å; F591-L595 HydrophobicContact CD2-CD1 4.41Å; F591-L595 HydrophobicContact CE1-CD1 3.59Å; F591-L595 HydrophobicContact CE2-CD1 4.32Å; F591-L595 HydrophobicContact CG-CD1 4.11Å; F591-L595 HydrophobicContact CZ-CD1 3.92Å; N592-L595 HydrophobicContact CB-CD1 4.14Å; N592-L595 HydrophobicContact CB-CG 4.39Å; N592-L595 WeakPolarHBondContact O-CB 3.19Å; N592-L595 PolarHBondContact O-N 3.05Å; L593-L595 VanDerWaalsContact C-N 3.27Å; L595-Q616 VanDerWaalsContact O-CG 3.31Å; L595-Q616 WeakPolarHBondContact O-CG 3.43Å
596	P	92.6	Very high	85.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.294	C	S	.	.			trans	-56.1	144.6	177.2	22.7	-31	0	0	0	110	V569 Y588 W598 L599 P613	V569-P596 HydrophobicContact CG2-CG 4.27Å; Y588-P596 WeakPolarHBondContact CE1-O 3.49Å; Y588-P596 WeakPolarHBondContact OH-CD 3.24Å; Y588-P596 PolarHBondContact OH-O 2.93Å; P596-W598 PolarHBondContact O-N 3.11Å; P596-L599 HydrophobicContact CB-CD2 4.24Å; P596-L599 HydrophobicContact CG-CD2 3.63Å; P596-L599 HydrophobicContact CG-CG 4.08Å; P596-P613 HydrophobicContact CG-CB 4.41Å; P596-P613 HydrophobicContact CG-CG 4.29Å
597	P	86.9	Confident	85.8	Confident	78 Å²	78	57.1 Å²	57.1	51%	0.506	29%	0.289	S	S	.	.	S	Bend	trans	-70.1	-20.5	-174.5	30	-27	0	0	0	111.2
598	W	87	Confident	86.4	Confident	53 Å²	53	56.3 Å²	56.3	20%	0.201	28%	0.284	C	S	.	.			trans	-153.6	153.6	-178.5	167.9	80.8	0	0	0	110.4	Q355 P596 P600 A695	Q355-W598 HydrophobicContact CB-CD2 4.29Å; Q355-W598 HydrophobicContact CB-CG 3.83Å; Q355-W598 VanDerWaalsContact CD-CE2 3.5Å; P596-W598 PolarHBondContact O-N 3.11Å; W598-P600 HydrophobicContact CH2-CB 3.91Å; W598-P600 HydrophobicContact CH2-CG 3.47Å; W598-P600 VanDerWaalsContact CH2-CG 3.47Å; W598-P600 HydrophobicContact CZ2-CB 4.08Å; W598-P600 HydrophobicContact CZ2-CG 4.09Å; W598-P600 HydrophobicContact CZ3-CG 3.79Å; W598-A695 HydrophobicContact CH2-CB 3.97Å
599	L	91.4	Very high	86.1	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.037	29%	0.294	C	S	.	.			trans	-133.3	142.5	170.6	-68.8	178.8	0	0	0	110.5	W577 F582 Y588 P596 T601 Y608 P613 F645	W577-L599 HydrophobicContact CH2-CD1 3.73Å; W577-L599 HydrophobicContact CZ3-CD1 3.87Å; F582-L599 HydrophobicContact CE2-CD1 4.16Å; F582-L599 HydrophobicContact CZ-CD1 3.81Å; Y588-L599 HydrophobicContact CD1-CB 4.4Å; Y588-L599 HydrophobicContact CD1-CG 4.31Å; Y588-L599 HydrophobicContact CD2-CD1 3.63Å; Y588-L599 HydrophobicContact CD2-CG 4.21Å; Y588-L599 HydrophobicContact CE1-CD1 4.46Å; Y588-L599 HydrophobicContact CE1-CG 4.14Å; Y588-L599 HydrophobicContact CE2-CD1 3.46Å; Y588-L599 VanDerWaalsContact CE2-CD1 3.46Å; Y588-L599 HydrophobicContact CE2-CG 4.05Å; Y588-L599 HydrophobicContact CG-CB 4.32Å; Y588-L599 HydrophobicContact CG-CD1 4.19Å; Y588-L599 HydrophobicContact CG-CG 4.32Å; P596-L599 HydrophobicContact CB-CD2 4.24Å; P596-L599 HydrophobicContact CG-CD2 3.63Å; P596-L599 HydrophobicContact CG-CG 4.08Å; L599-T601 PolarHBondContact O-N 3.41Å; L599-Y608 HydrophobicContact CB-CE2 4.26Å; L599-Y608 HydrophobicContact CD1-CD2 4.45Å; L599-Y608 HydrophobicContact CD1-CE2 4.29Å; L599-P613 HydrophobicContact CD1-CG 4.12Å; L599-P613 HydrophobicContact CD2-CB 3.54Å; L599-P613 HydrophobicContact CD2-CG 3.6Å; L599-F645 HydrophobicContact CD2-CE1 4.04Å
600	P	90.5	Very high	86.4	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.032	30%	0.301	C	S	.	.			trans	-53.9	137.6	172.2	-21.5	27.8	0	0	0	112.6	W598 R602 Y608 F645 M687 A695 Y697	W598-P600 HydrophobicContact CH2-CB 3.91Å; W598-P600 HydrophobicContact CH2-CG 3.47Å; W598-P600 VanDerWaalsContact CH2-CG 3.47Å; W598-P600 HydrophobicContact CZ2-CB 4.08Å; W598-P600 HydrophobicContact CZ2-CG 4.09Å; W598-P600 HydrophobicContact CZ3-CG 3.79Å; P600-R602 PolarHBondContact O-N 3.4Å; P600-Y608 WeakPolarHBondContact CD-OH 3.24Å; P600-Y608 PolarHBondContact O-OH 2.98Å; P600-F645 VanDerWaalsContact CD-CZ 3.49Å; P600-F645 HydrophobicContact CG-CE1 4.34Å; P600-F645 HydrophobicContact CG-CE2 4.12Å; P600-F645 HydrophobicContact CG-CZ 3.61Å; P600-M687 HydrophobicContact CB-CE 3.59Å; P600-M687 HydrophobicContact CB-SD 4.11Å; P600-M687 HydrophobicContact CG-CE 3.98Å; P600-M687 HydrophobicContact CG-SD 4.16Å; P600-A695 HydrophobicContact CB-CB 4.04Å; P600-A695 HydrophobicContact CG-CB 3.86Å; P600-Y697 HydrophobicContact CG-CE2 4.26Å
601	T	85	Confident	86.8	Confident	124 Å²	124	52.9 Å²	52.9	76%	0.761	28%	0.28	S	S	*	.			trans	-64.8	126.2	171.2	-49.7	0	0	0	0	109.3	L599	L599-T601 PolarHBondContact O-N 3.41Å
602	R	83.9	Confident	87.3	Confident	28 Å²	28	48.1 Å²	48.1	11%	0.106	26%	0.259	C	S	.	.			trans	-105.5	156.5	171.8	-67.3	-168.8	176	-159.2	-0.8	109.4	P600 D604 Y608 D611 K685	P600-R602 PolarHBondContact O-N 3.4Å; R602-D604 VanDerWaalsContact CB-O 3.23Å; R602-D604 WeakPolarHBondContact CB-O 3.35Å; R602-D604 PolarHBondContact O-N 2.79Å; R602-Y608 HydrophobicContact CG-CE2 3.88Å; R602-Y608 VanDerWaalsContact NE-CZ 3.34Å; R602-D611 IonicContact CZ-OD2 3.53Å; R602-D611 IonicContact NH1-OD2 2.73Å; R602-D611 PolarHBondContact NH1-OD2 2.81Å; R602-D611 IonicContact NH2-OD2 3.49Å; R602-D611 PolarHBondContact NH2-OD2 2.77Å; R602-K685 PolarHBondContact NH1-O 3.45Å
603	T	80.1	Confident	87.7	Confident	127 Å²	127	44.8 Å²	44.8	78%	0.779	24%	0.241	S	C	*	.	S	Bend	trans	-56.3	-35.8	173.4	-47.5	0	0	0	0	111.5
604	D	81.2	Confident	88	Confident	70 Å²	70	38.6 Å²	38.6	37%	0.374	21%	0.208	S	C	.	.	S	Bend	trans	-131.8	125.4	169.6	179.6	1.7	0	0	0	108.2	R602 F606 E607	R602-D604 VanDerWaalsContact CB-O 3.23Å; R602-D604 WeakPolarHBondContact CB-O 3.35Å; R602-D604 PolarHBondContact O-N 2.79Å; D604-F606 PolarHBondContact O-N 3.45Å; D604-F606 WeakPolarHBondContact OD1-CB 3.48Å; D604-F606 VanDerWaalsContact OD1-CD2 3.23Å; D604-F606 WeakPolarHBondContact OD1-CD2 3.39Å; D604-F606 PolarHBondContact OD1-N 3.1Å; D604-E607 HydrophobicContact CB-CG 4.05Å; D604-E607 WeakPolarHBondContact O-CB 3.47Å; D604-E607 VanDerWaalsContact O-CG 3.27Å; D604-E607 WeakPolarHBondContact O-CG 3.5Å; D604-E607 PolarHBondContact O-N 3.45Å
605	C	79.1	Confident	88.1	Confident	20 Å²	20	37.5 Å²	37.5	14%	0.135	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-69	-23	178.4	61.9	0	0	0	0	112.4	F582 E607 Y608	F582-C605 HydrophobicContact CB-CB 4.46Å; F582-C605 HydrophobicContact CD1-CB 3.57Å; F582-C605 HydrophobicContact CD2-CB 4.38Å; F582-C605 HydrophobicContact CE1-CB 3.74Å; F582-C605 HydrophobicContact CG-CB 3.9Å; F582-C605 HydrophobicContact CZ-CB 4.22Å; C605-E607 PolarHBondContact O-N 3.48Å; C605-Y608 WeakPolarHBondContact O-CB 3.48Å; C605-Y608 WeakPolarHBondContact O-CD2 3.49Å; C605-Y608 PolarHBondContact O-N 3.07Å
606	F	80.6	Confident	88.1	Confident	105 Å²	105	40.4 Å²	40.4	46%	0.461	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-67.5	-14.3	176.6	-67.1	-66.6	0	0	0	113.1	I578 D604 Y608 I609	I578-F606 HydrophobicContact CG2-CD1 3.92Å; I578-F606 HydrophobicContact CG2-CE1 4.13Å; D604-F606 PolarHBondContact O-N 3.45Å; D604-F606 WeakPolarHBondContact OD1-CB 3.48Å; D604-F606 VanDerWaalsContact OD1-CD2 3.23Å; D604-F606 WeakPolarHBondContact OD1-CD2 3.39Å; D604-F606 PolarHBondContact OD1-N 3.1Å; F606-Y608 PolarHBondContact O-N 2.86Å; F606-Y608 VanDerWaalsContact O-N 3.13Å; F606-I609 HydrophobicContact CB-CD1 4.09Å; F606-I609 HydrophobicContact CD1-CD1 3.86Å; F606-I609 HydrophobicContact CG-CD1 4.43Å; F606-I609 VanDerWaalsContact O-CB 3.24Å; F606-I609 WeakPolarHBondContact O-CB 3.34Å; F606-I609 VanDerWaalsContact O-CG1 3.24Å; F606-I609 WeakPolarHBondContact O-CG1 3.22Å; F606-I609 PolarHBondContact O-N 2.54Å
607	E	86.5	Confident	88.3	Confident	43 Å²	43	43.5 Å²	43.5	20%	0.201	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.3	-23	172.1	-62.5	-72.1	-165.1	0	0	112.4	D604 C605 I609 L610 D611 K685	D604-E607 HydrophobicContact CB-CG 4.05Å; D604-E607 WeakPolarHBondContact O-CB 3.47Å; D604-E607 VanDerWaalsContact O-CG 3.27Å; D604-E607 WeakPolarHBondContact O-CG 3.5Å; D604-E607 PolarHBondContact O-N 3.45Å; C605-E607 PolarHBondContact O-N 3.48Å; E607-I609 PolarHBondContact O-N 3.01Å; E607-L610 PolarHBondContact O-N 3.47Å; E607-D611 PolarHBondContact O-N 2.96Å; E607-K685 HydrophobicContact CG-CD 4.46Å; E607-K685 WeakPolarHBondContact OE1-CD 3.35Å; E607-K685 IonicContact OE1-NZ 3.64Å; E607-K685 VanDerWaalsContact OE2-CB 3.24Å; E607-K685 WeakPolarHBondContact OE2-CB 3.42Å
608	Y	90.1	Very high	88.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-67.9	-15.1	172.6	-74	-60.3	0	0	0	113.9	W577 F582 L599 P600 R602 C605 F606 L610 D611 S612 F645	W577-Y608 HydrophobicContact CH2-CG 4.34Å; F582-Y608 HydrophobicContact CE1-CE2 4.46Å; F582-Y608 HydrophobicContact CE2-CD2 4.1Å; F582-Y608 AromaticContact CZ-CD2 3.63Å; F582-Y608 HydrophobicContact CZ-CD2 3.63Å; F582-Y608 AromaticContact CZ-CE2 3.81Å; F582-Y608 HydrophobicContact CZ-CE2 3.81Å; L599-Y608 HydrophobicContact CB-CE2 4.26Å; L599-Y608 HydrophobicContact CD1-CD2 4.45Å; L599-Y608 HydrophobicContact CD1-CE2 4.29Å; P600-Y608 WeakPolarHBondContact CD-OH 3.24Å; P600-Y608 PolarHBondContact O-OH 2.98Å; R602-Y608 HydrophobicContact CG-CE2 3.88Å; R602-Y608 VanDerWaalsContact NE-CZ 3.34Å; C605-Y608 WeakPolarHBondContact O-CB 3.48Å; C605-Y608 WeakPolarHBondContact O-CD2 3.49Å; C605-Y608 PolarHBondContact O-N 3.07Å; F606-Y608 PolarHBondContact O-N 2.86Å; F606-Y608 VanDerWaalsContact O-N 3.13Å; Y608-L610 VanDerWaalsContact C-N 3.3Å; Y608-L610 PolarHBondContact O-N 3.4Å; Y608-D611 CarbonylContact O-C 3.38Å; Y608-S612 WeakPolarHBondContact O-CA 3.35Å; Y608-S612 PolarHBondContact O-N 3.21Å; Y608-F645 HydrophobicContact CD1-CD1 4.41Å; Y608-F645 AromaticContact CE1-CD1 3.74Å; Y608-F645 HydrophobicContact CE1-CD1 3.74Å; Y608-F645 AromaticContact CE1-CE1 3.81Å; Y608-F645 HydrophobicContact CE1-CE1 3.81Å
609	I	79.4	Confident	89.2	Confident	63 Å²	63	38.8 Å²	38.8	32%	0.323	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-60.1	-45.5	176.6	-68.7	172.3	0	0	0	109.6	I578 F606 E607	I578-I609 HydrophobicContact CD1-CB 4.06Å; I578-I609 HydrophobicContact CD1-CG1 3.31Å; F606-I609 HydrophobicContact CB-CD1 4.09Å; F606-I609 HydrophobicContact CD1-CD1 3.86Å; F606-I609 HydrophobicContact CG-CD1 4.43Å; F606-I609 VanDerWaalsContact O-CB 3.24Å; F606-I609 WeakPolarHBondContact O-CB 3.34Å; F606-I609 VanDerWaalsContact O-CG1 3.24Å; F606-I609 WeakPolarHBondContact O-CG1 3.22Å; F606-I609 PolarHBondContact O-N 2.54Å; E607-I609 PolarHBondContact O-N 3.01Å
610	L	81.6	Confident	89.4	Confident	63 Å²	63	43.5 Å²	43.5	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-21.6	-174.8	-63.3	-178.9	0	0	0	112.5	E607 Y608 P684	E607-L610 PolarHBondContact O-N 3.47Å; Y608-L610 VanDerWaalsContact C-N 3.3Å; Y608-L610 PolarHBondContact O-N 3.4Å; L610-P684 HydrophobicContact CB-CB 3.57Å; L610-P684 HydrophobicContact CB-CG 3.8Å; L610-P684 VanDerWaalsContact O-CG 3.3Å; L610-P684 WeakPolarHBondContact O-CG 3.24Å
611	D	93.2	Very high	89.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-122.4	61.1	177.8	-172.5	32.4	0	0	0	111.7	R602 E607 Y608 A644 F645 P684 M686	R602-D611 IonicContact CZ-OD2 3.53Å; R602-D611 IonicContact NH1-OD2 2.73Å; R602-D611 PolarHBondContact NH1-OD2 2.81Å; R602-D611 IonicContact NH2-OD2 3.49Å; R602-D611 PolarHBondContact NH2-OD2 2.77Å; E607-D611 PolarHBondContact O-N 2.96Å; Y608-D611 CarbonylContact O-C 3.38Å; D611-A644 WeakPolarHBondContact OD1-CA 3.24Å; D611-F645 PolarHBondContact OD1-N 2.94Å; D611-F645 WeakPolarHBondContact OD2-CB 3.21Å; D611-P684 HydrophobicContact CB-CB 3.96Å; D611-M686 HydrophobicContact CB-SD 4.15Å
612	S	93.6	Very high	90.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-58.6	141.4	-176.3	177.8	0	0	0	0	112.7	V569 D570 Y608 R646	V569-S612 PolarHBondContact N-OG 3.27Å; D570-S612 VanDerWaalsContact CG-CB 3.43Å; D570-S612 PolarHBondContact N-OG 3.15Å; D570-S612 VanDerWaalsContact N-OG 3.14Å; D570-S612 PolarHBondContact OD1-OG 3.18Å; Y608-S612 WeakPolarHBondContact O-CA 3.35Å; Y608-S612 PolarHBondContact O-N 3.21Å; S612-R646 WeakPolarHBondContact O-CB 3.14Å
613	P	97.4	Very high	90.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-72.2	172.1	167.4	33	-36.4	0	0	0	112.3	V569 W577 P596 L599 F645	V569-P613 HydrophobicContact CB-CG 4.14Å; V569-P613 HydrophobicContact CG2-CG 3.87Å; V569-P613 PolarHBondContact N-O 3.17Å; W577-P613 HydrophobicContact CH2-CG 3.93Å; W577-P613 HydrophobicContact CZ2-CG 4.18Å; P596-P613 HydrophobicContact CG-CB 4.41Å; P596-P613 HydrophobicContact CG-CG 4.29Å; L599-P613 HydrophobicContact CD1-CG 4.12Å; L599-P613 HydrophobicContact CD2-CB 3.54Å; L599-P613 HydrophobicContact CD2-CG 3.6Å; P613-F645 HydrophobicContact CB-CD1 3.85Å; P613-F645 HydrophobicContact CB-CE1 3.78Å
614	I	97.9	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-85.7	156.5	167.1	64.6	177.7	0	0	0	112.8	A566 E567 L619 R646 Q649	A566-I614 HydrophobicContact CB-CB 4.44Å; A566-I614 HydrophobicContact CB-CD1 4.2Å; A566-I614 HydrophobicContact CB-CG2 4.07Å; E567-I614 CarbonylContact O-C 3.57Å; E567-I614 WeakPolarHBondContact O-CA 3.3Å; E567-I614 VanDerWaalsContact O-CB 3.22Å; E567-I614 WeakPolarHBondContact O-CB 3.3Å; I614-L619 HydrophobicContact CD1-CD2 3.7Å; I614-L619 HydrophobicContact CD1-CG 3.9Å; I614-L619 HydrophobicContact CG1-CD2 4.25Å; I614-L619 HydrophobicContact CG1-CG 4.13Å; I614-R646 HydrophobicContact CG2-CB 3.59Å; I614-Q649 HydrophobicContact CD1-CB 3.6Å; I614-Q649 HydrophobicContact CG1-CB 3.73Å; I614-Q649 HydrophobicContact CG1-CG 4.45Å
615	T	96.6	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-78	172.7	176	64.7	0	0	0	0	112	E567 V569 T572 F573 N594 G618 L619	E567-T615 WeakPolarHBondContact CB-OG1 3.27Å; E567-T615 HydrophobicContact CG-CG2 3.96Å; E567-T615 PolarHBondContact O-N 2.85Å; E567-T615 VanDerWaalsContact OE2-CB 3.29Å; E567-T615 WeakPolarHBondContact OE2-CB 3.17Å; E567-T615 VanDerWaalsContact OE2-CG2 3.28Å; E567-T615 WeakPolarHBondContact OE2-CG2 3.47Å; E567-T615 PolarHBondContact OE2-OG1 3.14Å; V569-T615 HydrophobicContact CB-CG2 4.49Å; V569-T615 HydrophobicContact CG2-CG2 3.86Å; T572-T615 HydrophobicContact CG2-CG2 4.47Å; F573-T615 HydrophobicContact CE2-CG2 4.38Å; N594-T615 CarbonylContact O-C 3.17Å; N594-T615 WeakPolarHBondContact O-CA 3.32Å; N594-T615 WeakPolarHBondContact O-CB 3.34Å; N594-T615 WeakPolarHBondContact OD1-CB 3.46Å; T615-G618 WeakPolarHBondContact O-CA 2.88Å; T615-G618 PolarHBondContact O-N 3.15Å; T615-G618 VanDerWaalsContact O-N 3.16Å; T615-G618 PolarHBondContact OG1-N 3.24Å; T615-L619 PolarHBondContact O-N 2.85Å
616	Q	96.3	Very high	93.2	Very high	61 Å²	61	29.1 Å²	29.1	29%	0.285	14%	0.14	S	C	.	.	H	α-helix	trans	-66.1	-38.1	171.9	-77.8	-78.8	24.7	0	0	112.6	L593 N594 L595 G618 L619 F620	L593-Q616 WeakPolarHBondContact O-CG 3.35Å; N594-Q616 PolarHBondContact O-N 2.8Å; N594-Q616 PolarHBondContact OD1-N 3.42Å; L595-Q616 VanDerWaalsContact O-CG 3.31Å; L595-Q616 WeakPolarHBondContact O-CG 3.43Å; Q616-G618 VanDerWaalsContact C-N 3.26Å; Q616-G618 PolarHBondContact O-N 2.66Å; Q616-L619 PolarHBondContact O-N 3.37Å; Q616-F620 PolarHBondContact O-N 2.77Å
617	I	95.3	Very high	94	Very high	66 Å²	66	28.8 Å²	28.8	34%	0.338	14%	0.136	S	C	.	.	H	α-helix	trans	-60.6	-41.1	169.4	-69.7	170.3	0	0	0	109.6	N594 L619 F620 V621 Y807	N594-I617 WeakPolarHBondContact OD1-CB 3.16Å; N594-I617 WeakPolarHBondContact OD1-CG1 3.49Å; N594-I617 PolarHBondContact OD1-N 3.38Å; I617-L619 PolarHBondContact O-N 3.04Å; I617-F620 WeakPolarHBondContact O-CB 3.39Å; I617-F620 PolarHBondContact O-N 3.41Å; I617-V621 HydrophobicContact CG2-CG2 4.24Å; I617-V621 VanDerWaalsContact O-CG2 3.31Å; I617-V621 WeakPolarHBondContact O-CG2 3.21Å; I617-V621 PolarHBondContact O-N 3Å; I617-Y807 HydrophobicContact CG2-CE1 4.12Å; I617-Y807 HydrophobicContact CG2-CE2 4.07Å
618	G	96.3	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-44.3	174.6	0	0	0	0	0	113.3	A566 T615 Q616 S622	A566-G618 VanDerWaalsContact CB-O 3.24Å; A566-G618 WeakPolarHBondContact CB-O 3.49Å; T615-G618 WeakPolarHBondContact O-CA 2.88Å; T615-G618 PolarHBondContact O-N 3.15Å; T615-G618 VanDerWaalsContact O-N 3.16Å; T615-G618 PolarHBondContact OG1-N 3.24Å; Q616-G618 VanDerWaalsContact C-N 3.26Å; Q616-G618 PolarHBondContact O-N 2.66Å; G618-S622 WeakPolarHBondContact O-CB 3.26Å; G618-S622 PolarHBondContact O-N 2.85Å; G618-S622 PolarHBondContact O-OG 3.25Å
619	L	96.4	Very high	94.9	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-48.7	173.5	-74.1	166.2	0	0	0	111.3	I614 T615 Q616 I617 V621 S622 A623 E653	I614-L619 HydrophobicContact CD1-CD2 3.7Å; I614-L619 HydrophobicContact CD1-CG 3.9Å; I614-L619 HydrophobicContact CG1-CD2 4.25Å; I614-L619 HydrophobicContact CG1-CG 4.13Å; T615-L619 PolarHBondContact O-N 2.85Å; Q616-L619 PolarHBondContact O-N 3.37Å; I617-L619 PolarHBondContact O-N 3.04Å; L619-V621 PolarHBondContact O-N 2.6Å; L619-S622 WeakPolarHBondContact O-CB 3.49Å; L619-S622 PolarHBondContact O-N 3.06Å; L619-A623 PolarHBondContact O-N 3Å; L619-E653 HydrophobicContact CB-CG 4.43Å; L619-E653 HydrophobicContact CD2-CB 4.02Å; L619-E653 HydrophobicContact CD2-CG 3.96Å; L619-E653 WeakPolarHBondContact O-CG 3.31Å
620	F	95.8	Very high	95.8	Very high	107 Å²	107	27 Å²	27	47%	0.469	14%	0.138	S	C	.	.	H	α-helix	trans	-56	-50.8	177.4	171.1	-96.7	0	0	0	112.3	Q616 I617 S622 A623 E624	Q616-F620 PolarHBondContact O-N 2.77Å; I617-F620 WeakPolarHBondContact O-CB 3.39Å; I617-F620 PolarHBondContact O-N 3.41Å; F620-S622 VanDerWaalsContact C-N 3.3Å; F620-S622 PolarHBondContact O-N 2.78Å; F620-A623 WeakPolarHBondContact O-CB 2.96Å; F620-A623 PolarHBondContact O-N 3.27Å; F620-A623 VanDerWaalsContact O-N 3.15Å; F620-E624 HydrophobicContact CD1-CG 4.22Å; F620-E624 HydrophobicContact CD2-CG 4.23Å; F620-E624 HydrophobicContact CE1-CG 3.73Å; F620-E624 HydrophobicContact CE2-CG 3.74Å; F620-E624 WeakPolarHBondContact CE2-OE1 3.16Å; F620-E624 HydrophobicContact CG-CG 4.45Å; F620-E624 HydrophobicContact CZ-CG 3.47Å; F620-E624 VanDerWaalsContact CZ-CG 3.47Å; F620-E624 WeakPolarHBondContact CZ-OE1 3.36Å; F620-E624 WeakPolarHBondContact O-CG 3.38Å; F620-E624 PolarHBondContact O-N 2.71Å
621	V	95.3	Very high	96.5	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-36.4	-179.5	179.8	0	0	0	0	111.4	I617 L619 A623 T625 C783 C805 Y807	I617-V621 HydrophobicContact CG2-CG2 4.24Å; I617-V621 VanDerWaalsContact O-CG2 3.31Å; I617-V621 WeakPolarHBondContact O-CG2 3.21Å; I617-V621 PolarHBondContact O-N 3Å; L619-V621 PolarHBondContact O-N 2.6Å; V621-A623 VanDerWaalsContact C-N 3.35Å; V621-T625 WeakPolarHBondContact O-CB 3.42Å; V621-T625 PolarHBondContact O-N 3.06Å; V621-T625 PolarHBondContact O-OG1 2.85Å; V621-C783 HydrophobicContact CG1-CB 3.8Å; V621-C805 HydrophobicContact CG1-CB 4.35Å; V621-C805 HydrophobicContact CG2-CB 3.99Å; V621-Y807 HydrophobicContact CG2-CE1 4Å
622	S	97	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-44.9	174	-55.2	0	0	0	0	111.3	A566 G618 L619 F620 T625 G626 L654	A566-S622 WeakPolarHBondContact CB-OG 3.48Å; G618-S622 WeakPolarHBondContact O-CB 3.26Å; G618-S622 PolarHBondContact O-N 2.85Å; G618-S622 PolarHBondContact O-OG 3.25Å; L619-S622 WeakPolarHBondContact O-CB 3.49Å; L619-S622 PolarHBondContact O-N 3.06Å; F620-S622 VanDerWaalsContact C-N 3.3Å; F620-S622 PolarHBondContact O-N 2.78Å; S622-T625 PolarHBondContact O-N 3.2Å; S622-G626 PolarHBondContact O-N 2.94Å; S622-L654 WeakPolarHBondContact O-CA 3.35Å
623	A	97.4	Very high	96.8	Very high	6 Å²	6	35.9 Å²	35.9	5%	0.05	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-45.7	179.4	0	0	0	0	0	112.9	L619 F620 V621 T625 G626 R627 E653 A657	L619-A623 PolarHBondContact O-N 3Å; F620-A623 WeakPolarHBondContact O-CB 2.96Å; F620-A623 PolarHBondContact O-N 3.27Å; F620-A623 VanDerWaalsContact O-N 3.15Å; V621-A623 VanDerWaalsContact C-N 3.35Å; A623-T625 VanDerWaalsContact C-N 3.3Å; A623-T625 PolarHBondContact O-N 3.13Å; A623-G626 PolarHBondContact O-N 3.37Å; A623-R627 PolarHBondContact O-N 3.31Å; A623-E653 HydrophobicContact CB-CG 4.02Å; A623-E653 WeakPolarHBondContact CB-OE1 3.3Å; A623-A657 VanDerWaalsContact CA-CB 3.48Å; A623-A657 HydrophobicContact CB-CB 3.67Å; A623-A657 VanDerWaalsContact O-CB 3.26Å; A623-A657 WeakPolarHBondContact O-CB 3.04Å
624	E	96.8	Very high	96.8	Very high	56 Å²	56	36.6 Å²	36.6	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-41.1	175.6	-70.5	-62.2	156.7	0	0	111.3	F620 G626 R627 A628	F620-E624 HydrophobicContact CD1-CG 4.22Å; F620-E624 HydrophobicContact CD2-CG 4.23Å; F620-E624 HydrophobicContact CE1-CG 3.73Å; F620-E624 HydrophobicContact CE2-CG 3.74Å; F620-E624 WeakPolarHBondContact CE2-OE1 3.16Å; F620-E624 HydrophobicContact CG-CG 4.45Å; F620-E624 HydrophobicContact CZ-CG 3.47Å; F620-E624 VanDerWaalsContact CZ-CG 3.47Å; F620-E624 WeakPolarHBondContact CZ-OE1 3.36Å; F620-E624 WeakPolarHBondContact O-CG 3.38Å; F620-E624 PolarHBondContact O-N 2.71Å; E624-G626 VanDerWaalsContact C-N 3.33Å; E624-G626 PolarHBondContact O-N 3.23Å; E624-R627 PolarHBondContact O-N 2.87Å; E624-R627 IonicContact OE1-CZ 3.79Å; E624-R627 IonicContact OE1-NH1 3.3Å; E624-R627 PolarHBondContact OE1-NH1 2.77Å; E624-R627 IonicContact OE1-NH2 3.48Å; E624-R627 PolarHBondContact OE1-NH2 3.32Å; E624-R627 IonicContact OE2-CZ 3.75Å; E624-R627 VanDerWaalsContact OE2-CZ 3.28Å; E624-R627 IonicContact OE2-NH1 3.81Å; E624-R627 PolarHBondContact OE2-NH1 2.83Å; E624-R627 IonicContact OE2-NH2 2.61Å; E624-R627 PolarHBondContact OE2-NH2 3.25Å; E624-A628 WeakPolarHBondContact O-CB 3.33Å; E624-A628 PolarHBondContact O-N 3.5Å
625	T	96.5	Very high	96.7	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-42.5	175.9	-54.4	0	0	0	0	111	M563 V621 S622 A623 A628 L629 L654 I801	M563-T625 HydrophobicContact CE-CG2 3.9Å; M563-T625 HydrophobicContact SD-CG2 4.44Å; V621-T625 WeakPolarHBondContact O-CB 3.42Å; V621-T625 PolarHBondContact O-N 3.06Å; V621-T625 PolarHBondContact O-OG1 2.85Å; S622-T625 PolarHBondContact O-N 3.2Å; A623-T625 VanDerWaalsContact C-N 3.3Å; A623-T625 PolarHBondContact O-N 3.13Å; T625-A628 PolarHBondContact O-N 3.1Å; T625-L629 HydrophobicContact CG2-CD1 4.17Å; T625-L629 VanDerWaalsContact O-CG 3.29Å; T625-L629 WeakPolarHBondContact O-CG 3.04Å; T625-L629 PolarHBondContact O-N 3.19Å; T625-L654 HydrophobicContact CG2-CD1 4.17Å; T625-I801 HydrophobicContact CG2-CD1 4.01Å
626	G	97.7	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.5	176	0	0	0	0	0	113.5	S622 A623 E624 L629 A630 M658	S622-G626 PolarHBondContact O-N 2.94Å; A623-G626 PolarHBondContact O-N 3.37Å; E624-G626 VanDerWaalsContact C-N 3.33Å; E624-G626 PolarHBondContact O-N 3.23Å; G626-L629 PolarHBondContact O-N 3.28Å; G626-A630 PolarHBondContact O-N 3.25Å; G626-M658 WeakPolarHBondContact O-CG 3.29Å
627	R	97.7	Very high	96.9	Very high	98 Å²	98	42.7 Å²	42.7	37%	0.37	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-47.4	175.7	-81.8	-179	-84.1	137.8	-7.8	112.1	A623 E624 L629 A630 D631 A657	A623-R627 PolarHBondContact O-N 3.31Å; E624-R627 PolarHBondContact O-N 2.87Å; E624-R627 IonicContact OE1-CZ 3.79Å; E624-R627 IonicContact OE1-NH1 3.3Å; E624-R627 PolarHBondContact OE1-NH1 2.77Å; E624-R627 IonicContact OE1-NH2 3.48Å; E624-R627 PolarHBondContact OE1-NH2 3.32Å; E624-R627 IonicContact OE2-CZ 3.75Å; E624-R627 VanDerWaalsContact OE2-CZ 3.28Å; E624-R627 IonicContact OE2-NH1 3.81Å; E624-R627 PolarHBondContact OE2-NH1 2.83Å; E624-R627 IonicContact OE2-NH2 2.61Å; E624-R627 PolarHBondContact OE2-NH2 3.25Å; R627-L629 VanDerWaalsContact C-N 3.27Å; R627-L629 PolarHBondContact O-N 2.88Å; R627-A630 WeakPolarHBondContact O-CB 3.13Å; R627-A630 PolarHBondContact O-N 3.47Å; R627-A630 VanDerWaalsContact O-N 3.08Å; R627-D631 PolarHBondContact O-N 2.97Å; R627-A657 HydrophobicContact CG-CB 4.35Å; R627-A657 WeakPolarHBondContact CG-O 3.5Å
628	A	97.4	Very high	97	Very high	32 Å²	32	39.5 Å²	39.5	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-58.8	-39.2	177.4	0	0	0	0	0	112.3	E624 T625 D631 A632 I801	E624-A628 WeakPolarHBondContact O-CB 3.33Å; E624-A628 PolarHBondContact O-N 3.5Å; T625-A628 PolarHBondContact O-N 3.1Å; A628-D631 PolarHBondContact O-N 3.01Å; A628-A632 VanDerWaalsContact O-CB 3.31Å; A628-A632 WeakPolarHBondContact O-CB 3.04Å; A628-A632 PolarHBondContact O-N 3.22Å; A628-I801 VanDerWaalsContact C-CG2 3.47Å; A628-I801 HydrophobicContact CB-CB 4.18Å; A628-I801 HydrophobicContact CB-CD1 4.43Å; A628-I801 HydrophobicContact CB-CG2 3.81Å; A628-I801 VanDerWaalsContact O-CG2 3.3Å; A628-I801 WeakPolarHBondContact O-CG2 3.34Å
629	L	97.5	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-40	175.6	-72.9	167.5	0	0	0	112.2	Y561 T625 G626 R627 A632 G633 V634 F636 L654 L785 I801	Y561-L629 HydrophobicContact CE1-CD2 4.08Å; T625-L629 HydrophobicContact CG2-CD1 4.17Å; T625-L629 VanDerWaalsContact O-CG 3.29Å; T625-L629 WeakPolarHBondContact O-CG 3.04Å; T625-L629 PolarHBondContact O-N 3.19Å; G626-L629 PolarHBondContact O-N 3.28Å; R627-L629 VanDerWaalsContact C-N 3.27Å; R627-L629 PolarHBondContact O-N 2.88Å; L629-A632 PolarHBondContact O-N 2.96Å; L629-G633 PolarHBondContact O-N 3.14Å; L629-V634 HydrophobicContact CB-CB 4.22Å; L629-V634 HydrophobicContact CB-CG2 4.5Å; L629-V634 HydrophobicContact CD2-CB 4.33Å; L629-V634 HydrophobicContact CD2-CG2 3.91Å; L629-V634 VanDerWaalsContact O-CB 3.29Å; L629-V634 WeakPolarHBondContact O-CB 3.33Å; L629-V634 PolarHBondContact O-N 3.13Å; L629-F636 HydrophobicContact CD1-CE2 4.03Å; L629-F636 HydrophobicContact CD1-CZ 4Å; L629-L654 HydrophobicContact CD1-CD1 4.36Å; L629-L785 HydrophobicContact CD2-CD2 4.15Å; L629-I801 HydrophobicContact CD2-CD1 4.14Å; L629-I801 HydrophobicContact CD2-CG1 4.38Å; L629-I801 HydrophobicContact CD2-CG2 4.02Å; L629-I801 HydrophobicContact CG-CD1 4.15Å; L629-I801 HydrophobicContact CG-CG2 4.33Å
630	A	97.5	Very high	97.3	Very high	37 Å²	37	38.1 Å²	38.1	31%	0.306	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-46.5	174.1	0	0	0	0	0	111.6	G626 R627 A632 G633 M658	G626-A630 PolarHBondContact O-N 3.25Å; R627-A630 WeakPolarHBondContact O-CB 3.13Å; R627-A630 PolarHBondContact O-N 3.47Å; R627-A630 VanDerWaalsContact O-N 3.08Å; A630-A632 VanDerWaalsContact C-N 3.26Å; A630-A632 PolarHBondContact O-N 3.21Å; A630-G633 WeakPolarHBondContact O-CA 3.32Å; A630-G633 PolarHBondContact O-N 3.39Å; A630-M658 HydrophobicContact CB-CG 3.83Å
631	D	97.2	Very high	97.4	Very high	142 Å²	142	33 Å²	33	76%	0.759	19%	0.192	S	C	*	.	H	α-helix	trans	-62	-35.4	178.1	-68.2	-19.3	0	0	0	111.8	R627 A628 G633	R627-D631 PolarHBondContact O-N 2.97Å; A628-D631 PolarHBondContact O-N 3.01Å; D631-G633 PolarHBondContact O-N 2.99Å
632	A	96.9	Very high	97.6	Very high	44 Å²	44	32.9 Å²	32.9	36%	0.364	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-3.5	172.8	0	0	0	0	0	113.9	A628 L629 A630 V634 P800 I801	A628-A632 VanDerWaalsContact O-CB 3.31Å; A628-A632 WeakPolarHBondContact O-CB 3.04Å; A628-A632 PolarHBondContact O-N 3.22Å; L629-A632 PolarHBondContact O-N 2.96Å; A630-A632 VanDerWaalsContact C-N 3.26Å; A630-A632 PolarHBondContact O-N 3.21Å; A632-V634 HydrophobicContact CB-CG2 4.42Å; A632-P800 HydrophobicContact CB-CB 4.09Å; A632-P800 HydrophobicContact CB-CG 4.11Å; A632-P800 WeakPolarHBondContact CB-O 3.41Å; A632-I801 HydrophobicContact CB-CG2 3.96Å
633	G	96.3	Very high	97.6	Very high	63 Å²	63	33.8 Å²	33.8	65%	0.649	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	16.8	179.6	0	0	0	0	0	114.6	L629 A630 D631	L629-G633 PolarHBondContact O-N 3.14Å; A630-G633 WeakPolarHBondContact O-CA 3.32Å; A630-G633 PolarHBondContact O-N 3.39Å; D631-G633 PolarHBondContact O-N 2.99Å
634	V	97	Very high	97.6	Very high	15 Å²	15	33.5 Å²	33.5	9%	0.091	20%	0.195	C	C	.	.			trans	-68.7	140.7	172.3	-178.2	0	0	0	0	108.8	Y561 L629 A632 F636 M658 P800	Y561-V634 HydrophobicContact CE2-CG1 4.03Å; Y561-V634 WeakPolarHBondContact OH-CG2 3.4Å; L629-V634 HydrophobicContact CB-CB 4.22Å; L629-V634 HydrophobicContact CB-CG2 4.5Å; L629-V634 HydrophobicContact CD2-CB 4.33Å; L629-V634 HydrophobicContact CD2-CG2 3.91Å; L629-V634 VanDerWaalsContact O-CB 3.29Å; L629-V634 WeakPolarHBondContact O-CB 3.33Å; L629-V634 PolarHBondContact O-N 3.13Å; A632-V634 HydrophobicContact CB-CG2 4.42Å; V634-F636 HydrophobicContact CG1-CD1 4.32Å; V634-F636 HydrophobicContact CG1-CE1 3.88Å; V634-F636 HydrophobicContact CG1-CE2 4.3Å; V634-F636 HydrophobicContact CG1-CZ 3.86Å; V634-M658 HydrophobicContact CB-CE 4.42Å; V634-M658 HydrophobicContact CG1-CE 4.46Å; V634-M658 WeakPolarHBondContact O-CE 3.48Å; V634-P800 HydrophobicContact CG2-CG 3.66Å
635	Y	96.3	Very high	97.7	Very high	137 Å²	137	30.9 Å²	30.9	54%	0.537	18%	0.183	S	C	.	.			trans	-140.5	107.9	176.9	-175.8	-90.2	0	0	0	109.6	R660 C742	Y635-R660 VanDerWaalsContact CE2-CZ 3.46Å; Y635-R660 VanDerWaalsContact CZ-NH1 3.32Å; Y635-R660 PolarHBondContact OH-NH1 3.34Å; Y635-R660 PolarHBondContact OH-NH2 2.73Å; Y635-C742 WeakPolarHBondContact O-CB 3.43Å
636	F	98.3	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.			trans	-75.9	130.3	-178.7	-63.8	-60.1	0	0	0	111.8	Y561 L629 V634 L654 L655 M658 R660 L663 C742 L744	Y561-F636 HydrophobicContact CD2-CD1 4.48Å; Y561-F636 AromaticContact CD2-CE1 3.52Å; Y561-F636 HydrophobicContact CD2-CE1 3.52Å; Y561-F636 HydrophobicContact CD2-CZ 4.26Å; Y561-F636 HydrophobicContact CE2-CE1 4.12Å; Y561-F636 AromaticContact CG-CE1 3.76Å; Y561-F636 HydrophobicContact CG-CE1 3.76Å; Y561-F636 HydrophobicContact CG-CZ 4.13Å; L629-F636 HydrophobicContact CD1-CE2 4.03Å; L629-F636 HydrophobicContact CD1-CZ 4Å; V634-F636 HydrophobicContact CG1-CD1 4.32Å; V634-F636 HydrophobicContact CG1-CE1 3.88Å; V634-F636 HydrophobicContact CG1-CE2 4.3Å; V634-F636 HydrophobicContact CG1-CZ 3.86Å; F636-L654 HydrophobicContact CE2-CD2 4.18Å; F636-L655 HydrophobicContact CD2-CD2 4.1Å; F636-M658 HydrophobicContact CD2-CE 3.83Å; F636-M658 HydrophobicContact CD2-SD 3.51Å; F636-M658 VanDerWaalsContact CD2-SD 3.51Å; F636-M658 HydrophobicContact CE2-CE 4.1Å; F636-M658 HydrophobicContact CE2-SD 3.76Å; F636-R660 PolarHBondContact O-NH2 2.78Å; F636-L663 HydrophobicContact CB-CD2 3.8Å; F636-C742 WeakPolarHBondContact CA-O 3.3Å; F636-L744 HydrophobicContact CD1-CB 3.66Å; F636-L744 HydrophobicContact CD2-CB 4.09Å; F636-L744 HydrophobicContact CD2-CD2 4.09Å; F636-L744 HydrophobicContact CE1-CB 3.76Å; F636-L744 HydrophobicContact CE1-CD1 4.27Å; F636-L744 HydrophobicContact CE2-CB 4.2Å; F636-L744 HydrophobicContact CE2-CD1 4.29Å; F636-L744 HydrophobicContact CE2-CD2 3.97Å; F636-L744 HydrophobicContact CE2-CG 4.38Å; F636-L744 HydrophobicContact CG-CB 3.84Å; F636-L744 HydrophobicContact CZ-CB 4.04Å; F636-L744 HydrophobicContact CZ-CD1 3.91Å; F636-L744 HydrophobicContact CZ-CD2 4.4Å; F636-L744 HydrophobicContact CZ-CG 4.34Å
637	T	97.7	Very high	97.9	Very high	52 Å²	52	30.6 Å²	30.6	32%	0.319	18%	0.181	S	C	.	.	S	Bend	trans	-91.2	-21.7	175.7	59.6	0	0	0	0	112.2	C742	T637-C742 PolarHBondContact N-O 3.14Å; T637-C742 PolarHBondContact OG1-N 2.86Å; T637-C742 PolarHBondContact OG1-O 3.4Å; T637-C742 VanDerWaalsContact OG1-O 3.11Å
638	A	98.4	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	146	174.8	0	0	0	0	0	111.2	Y640 R666 L743 L744	A638-Y640 HydrophobicContact CB-CE2 4.02Å; A638-R666 VanDerWaalsContact CB-NH1 3.29Å; A638-L743 HydrophobicContact CB-CD2 3.78Å; A638-L744 PolarHBondContact O-N 3.27Å
639	C	98.8	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	174.1	-177.8	0	0	0	0	110.3	L655 L663 R666 L744	C639-L655 HydrophobicContact CB-CD1 3.91Å; C639-L663 HydrophobicContact CB-CD2 4.12Å; C639-L663 HydrophobicContact CB-CG 4.47Å; C639-R666 WeakPolarHBondContact O-CB 3.22Å; C639-R666 PolarHBondContact O-N 3.47Å; C639-L744 CarbonylContact C-O 3.51Å; C639-L744 WeakPolarHBondContact CA-O 3.33Å; C639-L744 HydrophobicContact CB-CB 4.46Å
640	Y	98.9	Very high	98	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.1	171.8	-67	-91.1	0	0	0	109.5	A638 R666 E668 Y703 I732 H736 L743 L744 I745 V746	A638-Y640 HydrophobicContact CB-CE2 4.02Å; Y640-R666 CarbonylContact C-O 3.56Å; Y640-R666 WeakPolarHBondContact CA-O 3.13Å; Y640-R666 HydrophobicContact CD1-CB 3.86Å; Y640-R666 HydrophobicContact CE1-CB 4.04Å; Y640-E668 HydrophobicContact CD1-CG 3.9Å; Y640-Y703 HydrophobicContact CE1-CE2 4.42Å; Y640-Y703 AromaticContact CE1-CZ 3.98Å; Y640-Y703 WeakPolarHBondContact CE1-OH 3.39Å; Y640-I732 HydrophobicContact CD1-CD1 3.92Å; Y640-I732 HydrophobicContact CD1-CG1 4.29Å; Y640-I732 HydrophobicContact CD2-CD1 4.26Å; Y640-I732 HydrophobicContact CD2-CG2 4.06Å; Y640-I732 HydrophobicContact CE1-CD1 4.19Å; Y640-I732 HydrophobicContact CE1-CG1 4.04Å; Y640-I732 HydrophobicContact CE2-CG1 4.44Å; Y640-I732 HydrophobicContact CE2-CG2 3.6Å; Y640-I732 HydrophobicContact CG-CD1 3.96Å; Y640-H736 AromaticContact CE2-NE2 3.69Å; Y640-H736 AromaticContact CZ-NE2 3.7Å; Y640-H736 PolarHBondContact OH-NE2 3.43Å; Y640-L743 HydrophobicContact CE2-CD2 4.36Å; Y640-L744 PolarHBondContact N-O 3.01Å; Y640-I745 VanDerWaalsContact O-CA 3.29Å; Y640-I745 WeakPolarHBondContact O-CA 3.36Å; Y640-V746 PolarHBondContact O-N 3.14Å
641	C	98.9	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.8	-174.2	-167.7	0	0	0	0	112	C647 I665 R666 I667 E668 V746	C641-C647 WeakPolarHBondContact SG-CB 3.43Å; C641-C647 PolarHBondContact SG-O 3.4Å; C641-C647 VanDerWaalsContact SG-O 3.32Å; C641-I665 HydrophobicContact CB-CG2 3.38Å; C641-R666 PolarHBondContact N-O 2.93Å; C641-I667 HydrophobicContact CB-CD1 4.18Å; C641-I667 WeakPolarHBondContact O-CA 3.24Å; C641-E668 PolarHBondContact O-N 3.28Å; C641-V746 WeakPolarHBondContact CA-O 3.42Å; C641-V746 PolarHBondContact SG-O 3.49Å
642	S	98.7	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.11	C	C	.	.			trans	-61.1	146.6	166.5	-179.3	0	0	0	0	110.9	A644 L671 F672 V746 H748	S642-A644 PolarHBondContact O-N 3.38Å; S642-L671 WeakPolarHBondContact CB-O 3.37Å; S642-L671 PolarHBondContact OG-O 3.3Å; S642-F672 WeakPolarHBondContact OG-CA 3.38Å; S642-F672 PolarHBondContact OG-N 2.82Å; S642-V746 PolarHBondContact N-O 3.44Å; S642-H748 WeakPolarHBondContact CB-NE2 3.43Å; S642-H748 PolarHBondContact OG-NE2 3.39Å
643	P	97.9	Very high	98.2	Very high	20 Å²	20	17 Å²	17	13%	0.13	10%	0.1	C	C	.	.	S	Bend	trans	-67.3	-12.3	176.9	28.7	-38.6	0	0	0	114.3	F645 I667 E668 F672 M686	P643-F645 PolarHBondContact O-N 3.06Å; P643-I667 HydrophobicContact CB-CG2 3.74Å; P643-E668 VanDerWaalsContact CD-O 3.28Å; P643-E668 WeakPolarHBondContact CD-O 3.2Å; P643-F672 HydrophobicContact CG-CB 4.26Å; P643-F672 HydrophobicContact CG-CD2 4.46Å; P643-M686 HydrophobicContact CB-CB 4.19Å; P643-M686 HydrophobicContact CB-CG 4.01Å; P643-M686 HydrophobicContact CG-CG 4.28Å
644	A	98.2	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-58.6	132.3	177.1	0	0	0	0	0	111	D611 S642 R646 C647 V648 F672	D611-A644 WeakPolarHBondContact OD1-CA 3.24Å; S642-A644 PolarHBondContact O-N 3.38Å; A644-R646 VanDerWaalsContact C-N 3.27Å; A644-R646 HydrophobicContact CB-CG 4.13Å; A644-R646 PolarHBondContact O-N 2.79Å; A644-C647 WeakPolarHBondContact O-CA 3.39Å; A644-C647 WeakPolarHBondContact O-CB 3.23Å; A644-C647 PolarHBondContact O-N 2.94Å; A644-V648 PolarHBondContact O-N 2.67Å; A644-F672 HydrophobicContact CB-CD2 4.12Å; A644-F672 HydrophobicContact CB-CE2 3.97Å
645	F	98.3	Very high	98.3	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-57.4	-41.9	-171.9	-177.2	-139.7	0	0	0	112.5	L599 P600 Y608 D611 P613 P643 C647 V648 Q649 M687 L692 Y697	L599-F645 HydrophobicContact CD2-CE1 4.04Å; P600-F645 VanDerWaalsContact CD-CZ 3.49Å; P600-F645 HydrophobicContact CG-CE1 4.34Å; P600-F645 HydrophobicContact CG-CE2 4.12Å; P600-F645 HydrophobicContact CG-CZ 3.61Å; Y608-F645 HydrophobicContact CD1-CD1 4.41Å; Y608-F645 AromaticContact CE1-CD1 3.74Å; Y608-F645 HydrophobicContact CE1-CD1 3.74Å; Y608-F645 AromaticContact CE1-CE1 3.81Å; Y608-F645 HydrophobicContact CE1-CE1 3.81Å; D611-F645 PolarHBondContact OD1-N 2.94Å; D611-F645 WeakPolarHBondContact OD2-CB 3.21Å; P613-F645 HydrophobicContact CB-CD1 3.85Å; P613-F645 HydrophobicContact CB-CE1 3.78Å; P643-F645 PolarHBondContact O-N 3.06Å; F645-C647 VanDerWaalsContact C-N 3.27Å; F645-C647 PolarHBondContact O-N 3.02Å; F645-V648 PolarHBondContact O-N 2.9Å; F645-V648 VanDerWaalsContact O-N 3.14Å; F645-Q649 HydrophobicContact CD2-CG 4.03Å; F645-Q649 HydrophobicContact CE1-CG 4.35Å; F645-Q649 HydrophobicContact CE2-CG 3.66Å; F645-Q649 HydrophobicContact CG-CG 4.49Å; F645-Q649 HydrophobicContact CZ-CG 3.84Å; F645-Q649 WeakPolarHBondContact O-CG 3.43Å; F645-Q649 PolarHBondContact O-N 2.83Å; F645-M687 HydrophobicContact CD2-SD 4.3Å; F645-M687 HydrophobicContact CE2-SD 4.4Å; F645-L692 HydrophobicContact CD2-CD2 4.05Å; F645-L692 HydrophobicContact CE2-CD2 4.33Å; F645-Y697 HydrophobicContact CE2-CD2 4.35Å; F645-Y697 HydrophobicContact CE2-CE1 4.46Å; F645-Y697 AromaticContact CE2-CE2 3.48Å; F645-Y697 HydrophobicContact CE2-CE2 3.48Å; F645-Y697 VanDerWaalsContact CE2-CE2 3.48Å; F645-Y697 AromaticContact CE2-CZ 3.55Å; F645-Y697 WeakPolarHBondContact CE2-OH 3.48Å; F645-Y697 HydrophobicContact CZ-CE2 4.04Å; F645-Y697 AromaticContact CZ-CZ 3.91Å; F645-Y697 VanDerWaalsContact CZ-OH 3.31Å; F645-Y697 WeakPolarHBondContact CZ-OH 3.49Å
646	R	98.4	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-54.9	-36.5	172.7	58.6	-172.6	-174.2	-90.7	2.3	114.8	H565 S612 I614 A644 T650 E673 H748	H565-R646 HydrophobicContact CB-CB 4.3Å; H565-R646 HydrophobicContact CB-CG 4.09Å; H565-R646 PolarHBondContact CD2-NE 2.99Å; H565-R646 PolarHBondContact NE2-NE 3.34Å; S612-R646 WeakPolarHBondContact O-CB 3.14Å; I614-R646 HydrophobicContact CG2-CB 3.59Å; A644-R646 VanDerWaalsContact C-N 3.27Å; A644-R646 HydrophobicContact CB-CG 4.13Å; A644-R646 PolarHBondContact O-N 2.79Å; R646-T650 WeakPolarHBondContact O-CB 3.38Å; R646-T650 PolarHBondContact O-N 2.96Å; R646-T650 VanDerWaalsContact O-N 3.08Å; R646-T650 PolarHBondContact O-OG1 2.97Å; R646-E673 IonicContact CZ-OE1 3.67Å; R646-E673 VanDerWaalsContact NH2-CD 3.32Å; R646-E673 IonicContact NH2-OE1 3.11Å; R646-E673 PolarHBondContact NH2-OE1 2.88Å; R646-E673 IonicContact NH2-OE2 2.88Å; R646-H748 PolarHBondContact NH2-CE1 3.15Å; R646-H748 PolarHBondContact NH2-ND1 3.17Å
647	C	98.8	Very high	98.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-72.3	-42.6	178.8	-60.6	0	0	0	0	110	C641 A644 F645 T650 A651 V746 A747 H748	C641-C647 WeakPolarHBondContact SG-CB 3.43Å; C641-C647 PolarHBondContact SG-O 3.4Å; C641-C647 VanDerWaalsContact SG-O 3.32Å; A644-C647 WeakPolarHBondContact O-CA 3.39Å; A644-C647 WeakPolarHBondContact O-CB 3.23Å; A644-C647 PolarHBondContact O-N 2.94Å; F645-C647 VanDerWaalsContact C-N 3.27Å; F645-C647 PolarHBondContact O-N 3.02Å; C647-T650 PolarHBondContact O-N 3.46Å; C647-A651 WeakPolarHBondContact O-CB 3.39Å; C647-A651 PolarHBondContact O-N 3.45Å; C647-V746 HydrophobicContact CB-CG1 4.23Å; C647-V746 WeakPolarHBondContact O-CG1 3.4Å; C647-A747 PolarHBondContact SG-O 3.4Å; C647-A747 VanDerWaalsContact SG-O 3.39Å; C647-H748 VanDerWaalsContact SG-CE1 3.57Å
648	V	98.7	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-45.1	177.1	-177.3	0	0	0	0	111.1	A644 F645 T650 A651 C652 I667 L692 Y697 V699	A644-V648 PolarHBondContact O-N 2.67Å; F645-V648 PolarHBondContact O-N 2.9Å; F645-V648 VanDerWaalsContact O-N 3.14Å; V648-T650 PolarHBondContact O-N 2.85Å; V648-A651 PolarHBondContact O-N 2.89Å; V648-C652 VanDerWaalsContact O-CB 3.24Å; V648-C652 WeakPolarHBondContact O-CB 3.48Å; V648-C652 PolarHBondContact O-N 3.47Å; V648-I667 HydrophobicContact CG2-CD1 3.79Å; V648-L692 HydrophobicContact CG1-CD1 4.35Å; V648-L692 HydrophobicContact CG1-CD2 4.17Å; V648-L692 HydrophobicContact CG2-CD1 4.06Å; V648-Y697 HydrophobicContact CG1-CD1 4.17Å; V648-Y697 HydrophobicContact CG1-CG 4.06Å; V648-V699 HydrophobicContact CG1-CG1 4.11Å
649	Q	98.5	Very high	98.2	Very high	8 Å²	8	14 Å²	14	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-45.5	175.6	-69	178.7	-62.3	0	0	111.7	I614 F645 C652 E653 Y697	I614-Q649 HydrophobicContact CD1-CB 3.6Å; I614-Q649 HydrophobicContact CG1-CB 3.73Å; I614-Q649 HydrophobicContact CG1-CG 4.45Å; F645-Q649 HydrophobicContact CD2-CG 4.03Å; F645-Q649 HydrophobicContact CE1-CG 4.35Å; F645-Q649 HydrophobicContact CE2-CG 3.66Å; F645-Q649 HydrophobicContact CG-CG 4.49Å; F645-Q649 HydrophobicContact CZ-CG 3.84Å; F645-Q649 WeakPolarHBondContact O-CG 3.43Å; F645-Q649 PolarHBondContact O-N 2.83Å; Q649-C652 PolarHBondContact O-N 2.77Å; Q649-E653 WeakPolarHBondContact O-CB 3.45Å; Q649-E653 PolarHBondContact O-N 2.8Å; Q649-Y697 HydrophobicContact CG-CE1 3.91Å
650	T	98.7	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.1	-49.7	177.6	-56.8	0	0	0	0	111.3	M563 H565 A566 R646 C647 V648 E653 L654 V746	M563-T650 HydrophobicContact CE-CG2 4.1Å; M563-T650 HydrophobicContact SD-CG2 4.46Å; H565-T650 WeakPolarHBondContact CA-OG1 3.41Å; A566-T650 HydrophobicContact CB-CG2 4.37Å; A566-T650 PolarHBondContact N-OG1 3.35Å; R646-T650 WeakPolarHBondContact O-CB 3.38Å; R646-T650 PolarHBondContact O-N 2.96Å; R646-T650 VanDerWaalsContact O-N 3.08Å; R646-T650 PolarHBondContact O-OG1 2.97Å; C647-T650 PolarHBondContact O-N 3.46Å; V648-T650 PolarHBondContact O-N 2.85Å; T650-E653 PolarHBondContact O-N 3.22Å; T650-L654 VanDerWaalsContact O-CB 3.26Å; T650-L654 WeakPolarHBondContact O-CB 3.25Å; T650-L654 PolarHBondContact O-N 2.75Å; T650-V746 HydrophobicContact CG2-CG1 3.91Å
651	A	98.8	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-43	-178.7	0	0	0	0	0	112.3	C647 V648 L655 I665 V746	C647-A651 WeakPolarHBondContact O-CB 3.39Å; C647-A651 PolarHBondContact O-N 3.45Å; V648-A651 PolarHBondContact O-N 2.89Å; A651-L655 WeakPolarHBondContact O-CB 3.47Å; A651-L655 WeakPolarHBondContact O-CG 3.31Å; A651-L655 PolarHBondContact O-N 3.46Å; A651-I665 HydrophobicContact CB-CD1 3.87Å; A651-I665 HydrophobicContact CB-CG1 4.41Å; A651-I665 HydrophobicContact CB-CG2 4.45Å; A651-V746 HydrophobicContact CB-CB 3.99Å; A651-V746 HydrophobicContact CB-CG1 4.33Å; A651-V746 HydrophobicContact CB-CG2 3.74Å
652	C	98.1	Very high	97.6	Very high	25 Å²	25	23.5 Å²	23.5	17%	0.169	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-46.7	179.6	-167.8	0	0	0	0	111.2	V648 Q649 R656 I665 Y697	V648-C652 VanDerWaalsContact O-CB 3.24Å; V648-C652 WeakPolarHBondContact O-CB 3.48Å; V648-C652 PolarHBondContact O-N 3.47Å; Q649-C652 PolarHBondContact O-N 2.77Å; C652-R656 VanDerWaalsContact O-CB 3.25Å; C652-R656 WeakPolarHBondContact O-CB 3.38Å; C652-R656 PolarHBondContact O-N 2.9Å; C652-I665 HydrophobicContact CB-CD1 3.93Å; C652-Y697 HydrophobicContact CB-CD1 3.92Å
653	E	98	Very high	97.6	Very high	34 Å²	34	24.4 Å²	24.4	16%	0.159	15%	0.145	C	C	.	.	H	α-helix	trans	-69.7	-39.6	-178.1	-175	57.5	-166	0	0	112.3	L619 A623 Q649 T650 R656 A657	L619-E653 HydrophobicContact CB-CG 4.43Å; L619-E653 HydrophobicContact CD2-CB 4.02Å; L619-E653 HydrophobicContact CD2-CG 3.96Å; L619-E653 WeakPolarHBondContact O-CG 3.31Å; A623-E653 HydrophobicContact CB-CG 4.02Å; A623-E653 WeakPolarHBondContact CB-OE1 3.3Å; Q649-E653 WeakPolarHBondContact O-CB 3.45Å; Q649-E653 PolarHBondContact O-N 2.8Å; T650-E653 PolarHBondContact O-N 3.22Å; E653-R656 PolarHBondContact O-N 3.49Å; E653-R656 IonicContact OE1-CZ 3.46Å; E653-R656 IonicContact OE1-NE 2.8Å; E653-R656 IonicContact OE1-NH2 3.68Å; E653-R656 PolarHBondContact OE1-NH2 2.93Å; E653-R656 IonicContact OE2-CZ 3.69Å; E653-R656 IonicContact OE2-NE 2.87Å; E653-R656 PolarHBondContact OE2-NE 3.14Å; E653-R656 IonicContact OE2-NH2 3.48Å; E653-R656 PolarHBondContact OE2-NH2 3.16Å; E653-A657 WeakPolarHBondContact O-CB 3.37Å; E653-A657 PolarHBondContact O-N 2.87Å
654	L	98.3	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.1	-52.3	173.7	-177.9	157.4	0	0	0	111.4	M563 S622 T625 L629 F636 T650 R656 A657 M658 L744	M563-L654 HydrophobicContact CE-CD1 3.96Å; M563-L654 HydrophobicContact SD-CD1 3.37Å; M563-L654 WeakPolarHBondContact SD-CD1 3.5Å; S622-L654 WeakPolarHBondContact O-CA 3.35Å; T625-L654 HydrophobicContact CG2-CD1 4.17Å; L629-L654 HydrophobicContact CD1-CD1 4.36Å; F636-L654 HydrophobicContact CE2-CD2 4.18Å; T650-L654 VanDerWaalsContact O-CB 3.26Å; T650-L654 WeakPolarHBondContact O-CB 3.25Å; T650-L654 PolarHBondContact O-N 2.75Å; L654-R656 VanDerWaalsContact C-N 3.34Å; L654-R656 PolarHBondContact O-N 2.88Å; L654-A657 PolarHBondContact O-N 3.03Å; L654-M658 VanDerWaalsContact O-CB 3.27Å; L654-M658 WeakPolarHBondContact O-CB 3.4Å; L654-M658 PolarHBondContact O-N 3.27Å; L654-L744 HydrophobicContact CD2-CD2 3.84Å
655	L	98.7	Very high	97.6	Very high	4 Å²	4	25 Å²	25	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-38.1	-178.1	-71.3	174.5	0	0	0	111.9	F636 C639 A651 M658 G659 R660 L663 I665 L744	F636-L655 HydrophobicContact CD2-CD2 4.1Å; C639-L655 HydrophobicContact CB-CD1 3.91Å; A651-L655 WeakPolarHBondContact O-CB 3.47Å; A651-L655 WeakPolarHBondContact O-CG 3.31Å; A651-L655 PolarHBondContact O-N 3.46Å; L655-M658 HydrophobicContact CD2-SD 4.44Å; L655-M658 PolarHBondContact O-N 2.79Å; L655-G659 PolarHBondContact O-N 3.13Å; L655-R660 HydrophobicContact CB-CB 4.38Å; L655-R660 HydrophobicContact CD2-CB 4.05Å; L655-R660 CarbonylContact O-C 3.31Å; L655-R660 WeakPolarHBondContact O-CA 3.41Å; L655-R660 PolarHBondContact O-N 3.44Å; L655-L663 HydrophobicContact CD1-CD2 4.36Å; L655-L663 HydrophobicContact CD2-CD2 3.97Å; L655-I665 HydrophobicContact CD1-CD1 4.47Å; L655-I665 HydrophobicContact CD1-CG1 3.93Å; L655-L744 HydrophobicContact CD2-CD2 4.14Å; L655-L744 HydrophobicContact CG-CD2 4.38Å
656	R	97.5	Very high	97.6	Very high	101 Å²	101	27.4 Å²	27.4	38%	0.381	16%	0.158	S	C	.	.	H	α-helix	trans	-59.8	-51.6	174.8	-172.5	-168.2	72.9	76.9	0.1	111.2	C652 E653 L654 M658 G659	C652-R656 VanDerWaalsContact O-CB 3.25Å; C652-R656 WeakPolarHBondContact O-CB 3.38Å; C652-R656 PolarHBondContact O-N 2.9Å; E653-R656 PolarHBondContact O-N 3.49Å; E653-R656 IonicContact OE1-CZ 3.46Å; E653-R656 IonicContact OE1-NE 2.8Å; E653-R656 IonicContact OE1-NH2 3.68Å; E653-R656 PolarHBondContact OE1-NH2 2.93Å; E653-R656 IonicContact OE2-CZ 3.69Å; E653-R656 IonicContact OE2-NE 2.87Å; E653-R656 PolarHBondContact OE2-NE 3.14Å; E653-R656 IonicContact OE2-NH2 3.48Å; E653-R656 PolarHBondContact OE2-NH2 3.16Å; L654-R656 VanDerWaalsContact C-N 3.34Å; L654-R656 PolarHBondContact O-N 2.88Å; R656-M658 VanDerWaalsContact C-N 3.28Å; R656-M658 PolarHBondContact O-N 3.11Å; R656-G659 PolarHBondContact O-N 2.84Å
657	A	97.4	Very high	97.7	Very high	23 Å²	23	28.1 Å²	28.1	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-27.1	-179.1	0	0	0	0	0	113.3	A623 R627 E653 L654 G659	A623-A657 VanDerWaalsContact CA-CB 3.48Å; A623-A657 HydrophobicContact CB-CB 3.67Å; A623-A657 VanDerWaalsContact O-CB 3.26Å; A623-A657 WeakPolarHBondContact O-CB 3.04Å; R627-A657 HydrophobicContact CG-CB 4.35Å; R627-A657 WeakPolarHBondContact CG-O 3.5Å; E653-A657 WeakPolarHBondContact O-CB 3.37Å; E653-A657 PolarHBondContact O-N 2.87Å; L654-A657 PolarHBondContact O-N 3.03Å; A657-G659 PolarHBondContact O-N 3.15Å
658	M	97.4	Very high	97.6	Very high	17 Å²	17	28.1 Å²	28.1	8%	0.084	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.4	171.3	-167.5	-172.7	175.8	0	0	113	G626 A630 V634 F636 L654 L655 R656 R660	G626-M658 WeakPolarHBondContact O-CG 3.29Å; A630-M658 HydrophobicContact CB-CG 3.83Å; V634-M658 HydrophobicContact CB-CE 4.42Å; V634-M658 HydrophobicContact CG1-CE 4.46Å; V634-M658 WeakPolarHBondContact O-CE 3.48Å; F636-M658 HydrophobicContact CD2-CE 3.83Å; F636-M658 HydrophobicContact CD2-SD 3.51Å; F636-M658 VanDerWaalsContact CD2-SD 3.51Å; F636-M658 HydrophobicContact CE2-CE 4.1Å; F636-M658 HydrophobicContact CE2-SD 3.76Å; L654-M658 VanDerWaalsContact O-CB 3.27Å; L654-M658 WeakPolarHBondContact O-CB 3.4Å; L654-M658 PolarHBondContact O-N 3.27Å; L655-M658 HydrophobicContact CD2-SD 4.44Å; L655-M658 PolarHBondContact O-N 2.79Å; R656-M658 VanDerWaalsContact C-N 3.28Å; R656-M658 PolarHBondContact O-N 3.11Å; M658-R660 HydrophobicContact CB-CG 4.36Å; M658-R660 HydrophobicContact CE-CG 4.23Å; M658-R660 HydrophobicContact CG-CG 3.99Å; M658-R660 HydrophobicContact SD-CB 4.46Å; M658-R660 HydrophobicContact SD-CG 3.77Å
659	G	96.1	Very high	97.5	Very high	58 Å²	58	29.5 Å²	29.5	60%	0.598	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	21.6	-172.5	0	0	0	0	0	113.7	L655 R656 A657	L655-G659 PolarHBondContact O-N 3.13Å; R656-G659 PolarHBondContact O-N 2.84Å; A657-G659 PolarHBondContact O-N 3.15Å
660	R	95.4	Very high	97.4	Very high	22 Å²	22	30.2 Å²	30.2	8%	0.083	17%	0.174	C	C	.	.			trans	-109.6	37.5	-179.9	-64.4	-68.6	-70.6	149.6	-5.2	112.3	Y635 F636 L655 M658 D662 L663	Y635-R660 VanDerWaalsContact CE2-CZ 3.46Å; Y635-R660 VanDerWaalsContact CZ-NH1 3.32Å; Y635-R660 PolarHBondContact OH-NH1 3.34Å; Y635-R660 PolarHBondContact OH-NH2 2.73Å; F636-R660 PolarHBondContact O-NH2 2.78Å; L655-R660 HydrophobicContact CB-CB 4.38Å; L655-R660 HydrophobicContact CD2-CB 4.05Å; L655-R660 CarbonylContact O-C 3.31Å; L655-R660 WeakPolarHBondContact O-CA 3.41Å; L655-R660 PolarHBondContact O-N 3.44Å; M658-R660 HydrophobicContact CB-CG 4.36Å; M658-R660 HydrophobicContact CE-CG 4.23Å; M658-R660 HydrophobicContact CG-CG 3.99Å; M658-R660 HydrophobicContact SD-CB 4.46Å; M658-R660 HydrophobicContact SD-CG 3.77Å; R660-D662 WeakPolarHBondContact CA-OD1 3.49Å; R660-D662 IonicContact CZ-OD1 3.56Å; R660-D662 IonicContact CZ-OD2 3.54Å; R660-D662 IonicContact NE-OD1 3.8Å; R660-D662 IonicContact NH1-OD1 3.82Å; R660-D662 PolarHBondContact NH1-OD1 2.85Å; R660-D662 IonicContact NH1-OD2 3.63Å; R660-D662 PolarHBondContact NH1-OD2 3.36Å; R660-D662 IonicContact NH2-OD2 2.76Å; R660-D662 PolarHBondContact O-N 3.12Å; R660-D662 VanDerWaalsContact O-N 3.09Å; R660-L663 HydrophobicContact CB-CB 4.41Å; R660-L663 PolarHBondContact O-N 3.01Å
661	S	92.1	Very high	97.4	Very high	72 Å²	72	30.3 Å²	30.3	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.4	174.9	-55.4	0	0	0	0	113.1	N698	S661-N698 PolarHBondContact O-ND2 2.61Å
662	D	95.6	Very high	97.3	Very high	109 Å²	109	30.4 Å²	30.4	58%	0.583	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.9	173.6	67	-59.1	0	0	0	113.5	R660 S664	R660-D662 WeakPolarHBondContact CA-OD1 3.49Å; R660-D662 IonicContact CZ-OD1 3.56Å; R660-D662 IonicContact CZ-OD2 3.54Å; R660-D662 IonicContact NE-OD1 3.8Å; R660-D662 IonicContact NH1-OD1 3.82Å; R660-D662 PolarHBondContact NH1-OD1 2.85Å; R660-D662 IonicContact NH1-OD2 3.63Å; R660-D662 PolarHBondContact NH1-OD2 3.36Å; R660-D662 IonicContact NH2-OD2 2.76Å; R660-D662 PolarHBondContact O-N 3.12Å; R660-D662 VanDerWaalsContact O-N 3.09Å; D662-S664 PolarHBondContact O-N 2.96Å
663	L	98.2	Very high	97.1	Very high	18 Å²	18	30.2 Å²	30.2	9%	0.094	17%	0.172	C	C	.	.	S	Bend	trans	-82.5	109.8	-176.3	-173.5	65.1	0	0	0	110.8	F636 C639 L655 R660 N698	F636-L663 HydrophobicContact CB-CD2 3.8Å; C639-L663 HydrophobicContact CB-CD2 4.12Å; C639-L663 HydrophobicContact CB-CG 4.47Å; L655-L663 HydrophobicContact CD1-CD2 4.36Å; L655-L663 HydrophobicContact CD2-CD2 3.97Å; R660-L663 HydrophobicContact CB-CB 4.41Å; R660-L663 PolarHBondContact O-N 3.01Å; L663-N698 PolarHBondContact O-ND2 2.73Å
664	S	98.3	Very high	96.9	Very high	31 Å²	31	30.3 Å²	30.3	22%	0.217	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-70.3	147.2	175.9	60.2	0	0	0	0	112.7	D662 N698 D700	D662-S664 PolarHBondContact O-N 2.96Å; S664-N698 CarbonylContact C-O 3.55Å; S664-N698 WeakPolarHBondContact CA-O 3.47Å; S664-D700 PolarHBondContact OG-OD2 3.37Å
665	I	98.8	Very high	96.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.1	-178.8	-58.3	165	0	0	0	109.7	C641 A651 C652 L655 I667 N698 V699 D700	C641-I665 HydrophobicContact CB-CG2 3.38Å; A651-I665 HydrophobicContact CB-CD1 3.87Å; A651-I665 HydrophobicContact CB-CG1 4.41Å; A651-I665 HydrophobicContact CB-CG2 4.45Å; C652-I665 HydrophobicContact CB-CD1 3.93Å; L655-I665 HydrophobicContact CD1-CD1 4.47Å; L655-I665 HydrophobicContact CD1-CG1 3.93Å; I665-I667 HydrophobicContact CG2-CD1 4.07Å; I665-N698 PolarHBondContact N-O 2.71Å; I665-V699 HydrophobicContact CB-CG1 4.49Å; I665-V699 WeakPolarHBondContact O-CA 3.49Å; I665-D700 PolarHBondContact O-N 2.86Å
666	R	98.8	Very high	95.7	Very high	52 Å²	52	32.3 Å²	32.3	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.5	177.8	-65.3	177.6	-175	130.3	6.5	110.7	A638 C639 Y640 C641 D700 Y703	A638-R666 VanDerWaalsContact CB-NH1 3.29Å; C639-R666 WeakPolarHBondContact O-CB 3.22Å; C639-R666 PolarHBondContact O-N 3.47Å; Y640-R666 CarbonylContact C-O 3.56Å; Y640-R666 WeakPolarHBondContact CA-O 3.13Å; Y640-R666 HydrophobicContact CD1-CB 3.86Å; Y640-R666 HydrophobicContact CE1-CB 4.04Å; C641-R666 PolarHBondContact N-O 2.93Å; R666-D700 HydrophobicContact CG-CB 4.13Å; R666-D700 IonicContact NE-OD2 3.56Å; R666-Y703 HydrophobicContact CB-CD1 3.63Å; R666-Y703 HydrophobicContact CB-CD2 4.31Å; R666-Y703 HydrophobicContact CB-CE1 3.72Å; R666-Y703 HydrophobicContact CB-CE2 4.39Å; R666-Y703 HydrophobicContact CB-CG 3.93Å; R666-Y703 HydrophobicContact CG-CD1 3.98Å; R666-Y703 HydrophobicContact CG-CD2 3.88Å; R666-Y703 HydrophobicContact CG-CE1 4.35Å; R666-Y703 HydrophobicContact CG-CE2 4.28Å; R666-Y703 HydrophobicContact CG-CG 3.71Å
667	I	98.7	Very high	94.8	Very high	16 Å²	16	32 Å²	32	8%	0.082	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.8	-177.9	-54.8	-57	0	0	0	110.5	C641 P643 V648 I665 V689 V699	C641-I667 HydrophobicContact CB-CD1 4.18Å; C641-I667 WeakPolarHBondContact O-CA 3.24Å; P643-I667 HydrophobicContact CB-CG2 3.74Å; V648-I667 HydrophobicContact CG2-CD1 3.79Å; I665-I667 HydrophobicContact CG2-CD1 4.07Å; I667-V689 HydrophobicContact CB-CG2 4.39Å; I667-V689 HydrophobicContact CG1-CG2 4.31Å; I667-V699 HydrophobicContact CD1-CG1 4.08Å; I667-V699 HydrophobicContact CG1-CG1 4.25Å
668	E	98.3	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.			trans	-123.4	116.1	180	-86.2	-63	153.8	0	0	112.4	Y640 C641 P643 H670 L671 Y703 P705 L706 S707 L728	Y640-E668 HydrophobicContact CD1-CG 3.9Å; C641-E668 PolarHBondContact O-N 3.28Å; P643-E668 VanDerWaalsContact CD-O 3.28Å; P643-E668 WeakPolarHBondContact CD-O 3.2Å; E668-H670 PolarHBondContact O-N 3.03Å; E668-L671 HydrophobicContact CB-CB 4.28Å; E668-L671 HydrophobicContact CB-CD1 3.86Å; E668-L671 HydrophobicContact CB-CG 3.81Å; E668-L671 WeakPolarHBondContact O-CB 3.31Å; E668-L671 PolarHBondContact O-N 3.21Å; E668-Y703 HydrophobicContact CG-CE1 4.47Å; E668-Y703 WeakPolarHBondContact OE1-CE1 3.23Å; E668-Y703 VanDerWaalsContact OE1-CZ 3.29Å; E668-Y703 PolarHBondContact OE1-OH 2.66Å; E668-P705 WeakPolarHBondContact OE1-CA 3.26Å; E668-L706 WeakPolarHBondContact OE1-CB 3.47Å; E668-L706 PolarHBondContact OE1-N 3.32Å; E668-S707 WeakPolarHBondContact OE2-CB 3.38Å; E668-S707 PolarHBondContact OE2-N 3.37Å; E668-S707 VanDerWaalsContact OE2-N 3.15Å; E668-S707 PolarHBondContact OE2-OG 3.26Å; E668-L728 HydrophobicContact CB-CD2 3.97Å; E668-L728 HydrophobicContact CG-CD1 4.09Å; E668-L728 HydrophobicContact CG-CD2 4.17Å; E668-L728 WeakPolarHBondContact OE2-CD1 3.36Å
669	P	96.6	Very high	91.8	Very high	29 Å²	29	37.9 Å²	37.9	19%	0.188	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-53.7	-44.8	178.4	-29.3	36.5	0	0	0	114.1	L671 F672 P705 S707	P669-L671 PolarHBondContact O-N 2.91Å; P669-L671 VanDerWaalsContact O-N 3.15Å; P669-F672 VanDerWaalsContact O-CB 3.26Å; P669-F672 WeakPolarHBondContact O-CB 3.15Å; P669-F672 PolarHBondContact O-N 2.85Å; P669-P705 HydrophobicContact CG-CB 4.45Å; P669-S707 WeakPolarHBondContact CD-OG 3.38Å
670	H	96.6	Very high	90.2	Very high	22 Å²	22	38.5 Å²	38.5	10%	0.102	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-74.7	2.7	-179.9	-74.1	-179.1	0	0	0	115	E668 F672 S707 S708 D713 R724 L728	E668-H670 PolarHBondContact O-N 3.03Å; H670-F672 VanDerWaalsContact C-N 3.34Å; H670-S707 WeakPolarHBondContact CB-OG 3.4Å; H670-S707 VanDerWaalsContact CG-CB 3.4Å; H670-S707 PolarHBondContact N-OG 3.42Å; H670-S707 WeakPolarHBondContact ND1-CB 3.38Å; H670-S708 PolarHBondContact NE2-O 3.41Å; H670-D713 IonicContact NE2-OD2 3.94Å; H670-R724 VanDerWaalsContact C-NH1 3.32Å; H670-R724 PolarHBondContact O-NH1 3Å; H670-L728 HydrophobicContact CB-CB 4.28Å; H670-L728 HydrophobicContact CB-CD2 3.87Å
671	L	98.2	Very high	88.8	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-85.5	-8.3	164.1	-70.4	-178.1	0	0	0	112.7	S642 E668 P669 L728 I745 A747 H748	S642-L671 WeakPolarHBondContact CB-O 3.37Å; S642-L671 PolarHBondContact OG-O 3.3Å; E668-L671 HydrophobicContact CB-CB 4.28Å; E668-L671 HydrophobicContact CB-CD1 3.86Å; E668-L671 HydrophobicContact CB-CG 3.81Å; E668-L671 WeakPolarHBondContact O-CB 3.31Å; E668-L671 PolarHBondContact O-N 3.21Å; P669-L671 PolarHBondContact O-N 2.91Å; P669-L671 VanDerWaalsContact O-N 3.15Å; L671-L728 HydrophobicContact CD2-CD2 3.82Å; L671-L728 HydrophobicContact CG-CD2 3.73Å; L671-I745 HydrophobicContact CD1-CG2 3.8Å; L671-I745 HydrophobicContact CD2-CG2 3.77Å; L671-I745 HydrophobicContact CG-CG2 4.44Å; L671-A747 HydrophobicContact CB-CB 4.38Å; L671-H748 PolarHBondContact O-CD2 3.06Å; L671-H748 VanDerWaalsContact O-CD2 3.3Å
672	F	96.6	Very high	87.8	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	23%	0.232	C	C	.	.	S	Bend	trans	-62.5	147.8	169.7	-165.6	-110.6	0	0	0	111.6	S642 P643 A644 P669 H670 Y675 Y678 P684 M686 R724 H748	S642-F672 WeakPolarHBondContact OG-CA 3.38Å; S642-F672 PolarHBondContact OG-N 2.82Å; P643-F672 HydrophobicContact CG-CB 4.26Å; P643-F672 HydrophobicContact CG-CD2 4.46Å; A644-F672 HydrophobicContact CB-CD2 4.12Å; A644-F672 HydrophobicContact CB-CE2 3.97Å; P669-F672 VanDerWaalsContact O-CB 3.26Å; P669-F672 WeakPolarHBondContact O-CB 3.15Å; P669-F672 PolarHBondContact O-N 2.85Å; H670-F672 VanDerWaalsContact C-N 3.34Å; F672-Y675 AromaticContact CD1-CD1 3.93Å; F672-Y675 HydrophobicContact CD1-CD1 3.93Å; F672-Y675 AromaticContact CD1-CE1 3.33Å; F672-Y675 HydrophobicContact CD1-CE1 3.33Å; F672-Y675 AromaticContact CD1-CZ 3.75Å; F672-Y675 AromaticContact CE1-CD1 3.96Å; F672-Y675 HydrophobicContact CE1-CD1 3.96Å; F672-Y675 AromaticContact CE1-CE1 3.68Å; F672-Y675 HydrophobicContact CE1-CE1 3.68Å; F672-Y675 HydrophobicContact CG-CE1 4.46Å; F672-Y678 HydrophobicContact CE1-CD2 4.32Å; F672-Y678 AromaticContact CE1-CE2 3.55Å; F672-Y678 HydrophobicContact CE1-CE2 3.55Å; F672-Y678 AromaticContact CZ-CE2 3.63Å; F672-Y678 HydrophobicContact CZ-CE2 3.63Å; F672-Y678 AromaticContact CZ-CZ 3.65Å; F672-Y678 VanDerWaalsContact CZ-OH 3.25Å; F672-Y678 WeakPolarHBondContact CZ-OH 3.41Å; F672-P684 HydrophobicContact CZ-CG 3.92Å; F672-M686 HydrophobicContact CD2-CE 3.7Å; F672-M686 HydrophobicContact CE1-CE 4.26Å; F672-M686 HydrophobicContact CE2-CE 3.08Å; F672-M686 HydrophobicContact CZ-CE 3.38Å; F672-R724 PolarHBondContact O-NH1 3.47Å; F672-R724 PolarHBondContact O-NH2 3.04Å; F672-R724 VanDerWaalsContact O-NH2 3.1Å; F672-H748 AromaticContact CD2-NE2 3.8Å
673	E	94.6	Very high	87	Confident	21 Å²	21	35.5 Å²	35.5	10%	0.098	22%	0.215	C	C	.	.			trans	-63.3	175.2	-177.6	56.9	-170.6	163.8	0	0	112.5	R646 Y675 Y678 R724 H748	R646-E673 IonicContact CZ-OE1 3.67Å; R646-E673 VanDerWaalsContact NH2-CD 3.32Å; R646-E673 IonicContact NH2-OE1 3.11Å; R646-E673 PolarHBondContact NH2-OE1 2.88Å; R646-E673 IonicContact NH2-OE2 2.88Å; E673-Y675 PolarHBondContact O-N 3.3Å; E673-Y678 HydrophobicContact CG-CE2 4.29Å; E673-Y678 PolarHBondContact OE1-OH 3.11Å; E673-R724 PolarHBondContact O-NH2 3.37Å; E673-H748 HydrophobicContact CB-CB 3.89Å; E673-H748 PolarHBondContact N-CD2 2.99Å; E673-H748 PolarHBondContact N-NE2 2.74Å; E673-H748 IonicContact OE2-CG 3.84Å; E673-H748 IonicContact OE2-ND1 2.74Å
674	W	93.1	Very high	86.3	Confident	37 Å²	37	35 Å²	35	14%	0.14	21%	0.212	C	C	.	.			trans	-59.4	122.7	-178.7	-179.9	44.2	0	0	0	111.1	G676 W677 E716 I718 Y721 F773	W674-G676 PolarHBondContact O-N 3.1Å; W674-G676 VanDerWaalsContact O-N 3.17Å; W674-W677 AromaticContact CE3-CD2 3.78Å; W674-W677 HydrophobicContact CE3-CD2 3.78Å; W674-W677 AromaticContact CE3-CE2 3.76Å; W674-W677 HydrophobicContact CE3-CE3 4.14Å; W674-W677 HydrophobicContact CE3-CG 4.21Å; W674-W677 HydrophobicContact CE3-CH2 4.5Å; W674-W677 HydrophobicContact CE3-CZ2 4.12Å; W674-W677 HydrophobicContact CE3-CZ3 4.49Å; W674-W677 HydrophobicContact CZ3-CD2 4.28Å; W674-W677 HydrophobicContact CZ3-CE3 4.17Å; W674-W677 HydrophobicContact CZ3-CZ3 4.36Å; W674-W677 PolarHBondContact O-N 3.3Å; W674-E716 WeakPolarHBondContact CA-OE1 3.26Å; W674-E716 PolarHBondContact NE1-O 3.35Å; W674-I718 HydrophobicContact CD2-CG1 4.29Å; W674-I718 HydrophobicContact CH2-CG1 4.22Å; W674-I718 HydrophobicContact CZ2-CG1 3.85Å; W674-Y721 HydrophobicContact CB-CD1 3.79Å; W674-Y721 HydrophobicContact CB-CE1 4.14Å; W674-Y721 HydrophobicContact CB-CG 4.05Å; W674-Y721 HydrophobicContact CG-CD1 4.32Å; W674-Y721 HydrophobicContact CG-CG 4.44Å; W674-F773 HydrophobicContact CB-CZ 4.13Å; W674-F773 HydrophobicContact CD2-CE1 4.29Å; W674-F773 AromaticContact CE3-CE1 3.93Å; W674-F773 HydrophobicContact CE3-CE1 3.93Å; W674-F773 HydrophobicContact CG-CZ 4.48Å
675	Y	86.9	Confident	85.9	Confident	10 Å²	10	39.1 Å²	39.1	4%	0.039	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-65.6	-19.9	-177.9	-67.6	-71.2	0	0	0	113.2	F672 E673 W677 Y678 I683 Y709 D713 E716	F672-Y675 AromaticContact CD1-CD1 3.93Å; F672-Y675 HydrophobicContact CD1-CD1 3.93Å; F672-Y675 AromaticContact CD1-CE1 3.33Å; F672-Y675 HydrophobicContact CD1-CE1 3.33Å; F672-Y675 AromaticContact CD1-CZ 3.75Å; F672-Y675 AromaticContact CE1-CD1 3.96Å; F672-Y675 HydrophobicContact CE1-CD1 3.96Å; F672-Y675 AromaticContact CE1-CE1 3.68Å; F672-Y675 HydrophobicContact CE1-CE1 3.68Å; F672-Y675 HydrophobicContact CG-CE1 4.46Å; E673-Y675 PolarHBondContact O-N 3.3Å; Y675-W677 PolarHBondContact O-N 2.84Å; Y675-W677 VanDerWaalsContact O-N 3.09Å; Y675-Y678 WeakPolarHBondContact O-CB 3.3Å; Y675-Y678 PolarHBondContact O-N 2.92Å; Y675-I683 HydrophobicContact CD1-CD1 3.48Å; Y675-I683 VanDerWaalsContact CD1-CD1 3.48Å; Y675-I683 HydrophobicContact CD1-CG1 3.78Å; Y675-I683 HydrophobicContact CD1-CG2 4.26Å; Y675-I683 HydrophobicContact CE1-CD1 3.78Å; Y675-I683 HydrophobicContact CE1-CG1 4.25Å; Y675-I683 HydrophobicContact CE1-CG2 3.94Å; Y675-I683 HydrophobicContact CG-CD1 4.22Å; Y675-Y709 HydrophobicContact CE1-CD2 4.18Å; Y675-Y709 AromaticContact CE1-CE2 3.83Å; Y675-Y709 HydrophobicContact CE1-CE2 3.83Å; Y675-Y709 HydrophobicContact CE2-CD2 4.22Å; Y675-Y709 HydrophobicContact CE2-CE2 4.16Å; Y675-Y709 AromaticContact CZ-CD2 3.65Å; Y675-Y709 AromaticContact CZ-CE2 3.67Å; Y675-Y709 VanDerWaalsContact OH-CD2 3.29Å; Y675-Y709 WeakPolarHBondContact OH-CD2 3.36Å; Y675-D713 WeakPolarHBondContact CB-O 3.25Å; Y675-D713 HydrophobicContact CD2-CB 3.75Å; Y675-D713 VanDerWaalsContact CD2-O 3.23Å; Y675-D713 WeakPolarHBondContact CD2-O 3.23Å; Y675-D713 HydrophobicContact CE2-CB 3.64Å; Y675-E716 HydrophobicContact CD2-CG 4.19Å; Y675-E716 WeakPolarHBondContact CD2-OE1 3.5Å; Y675-E716 PolarHBondContact N-OE1 3.08Å
676	G	84.1	Confident	85.6	Confident	35 Å²	35	41 Å²	41	36%	0.361	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.3	-13	174.6	0	0	0	0	0	114.7	W674 Y678	W674-G676 PolarHBondContact O-N 3.1Å; W674-G676 VanDerWaalsContact O-N 3.17Å; G676-Y678 PolarHBondContact O-N 2.76Å
677	W	78.9	Confident	85.4	Confident	96 Å²	96	39.3 Å²	39.3	36%	0.364	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-66.8	-19	168.1	-60.1	131	0	0	0	113.4	W674 Y675 F773 H774 T777	W674-W677 AromaticContact CE3-CD2 3.78Å; W674-W677 HydrophobicContact CE3-CD2 3.78Å; W674-W677 AromaticContact CE3-CE2 3.76Å; W674-W677 HydrophobicContact CE3-CE3 4.14Å; W674-W677 HydrophobicContact CE3-CG 4.21Å; W674-W677 HydrophobicContact CE3-CH2 4.5Å; W674-W677 HydrophobicContact CE3-CZ2 4.12Å; W674-W677 HydrophobicContact CE3-CZ3 4.49Å; W674-W677 HydrophobicContact CZ3-CD2 4.28Å; W674-W677 HydrophobicContact CZ3-CE3 4.17Å; W674-W677 HydrophobicContact CZ3-CZ3 4.36Å; W674-W677 PolarHBondContact O-N 3.3Å; Y675-W677 PolarHBondContact O-N 2.84Å; Y675-W677 VanDerWaalsContact O-N 3.09Å; W677-F773 HydrophobicContact CH2-CE1 4.39Å; W677-F773 AromaticContact CZ2-CE1 3.74Å; W677-F773 HydrophobicContact CZ2-CE1 3.74Å; W677-F773 HydrophobicContact CZ2-CZ 4.41Å; W677-H774 AromaticContact CH2-CE1 3.34Å; W677-H774 WeakPolarHBondContact CH2-CE1 3.5Å; W677-H774 AromaticContact CH2-ND1 3.19Å; W677-H774 WeakPolarHBondContact CH2-ND1 3.44Å; W677-H774 AromaticContact CZ3-CE1 3.41Å; W677-H774 VanDerWaalsContact CZ3-CE1 3.41Å; W677-H774 WeakPolarHBondContact CZ3-CE1 3.24Å; W677-H774 AromaticContact CZ3-ND1 3.62Å; W677-T777 HydrophobicContact CZ2-CG2 4.36Å
678	Y	75.7	Confident	85.3	Confident	25 Å²	25	42 Å²	42	10%	0.098	25%	0.248	C	C	.	.	S	Bend	trans	-105.4	91.4	-173.1	-61.7	-84.8	0	0	0	111.4	F672 E673 Y675 G676 G680 G681 C682 P684	F672-Y678 HydrophobicContact CE1-CD2 4.32Å; F672-Y678 AromaticContact CE1-CE2 3.55Å; F672-Y678 HydrophobicContact CE1-CE2 3.55Å; F672-Y678 AromaticContact CZ-CE2 3.63Å; F672-Y678 HydrophobicContact CZ-CE2 3.63Å; F672-Y678 AromaticContact CZ-CZ 3.65Å; F672-Y678 VanDerWaalsContact CZ-OH 3.25Å; F672-Y678 WeakPolarHBondContact CZ-OH 3.41Å; E673-Y678 HydrophobicContact CG-CE2 4.29Å; E673-Y678 PolarHBondContact OE1-OH 3.11Å; Y675-Y678 WeakPolarHBondContact O-CB 3.3Å; Y675-Y678 PolarHBondContact O-N 2.92Å; G676-Y678 PolarHBondContact O-N 2.76Å; Y678-G680 PolarHBondContact O-N 2.83Å; Y678-G681 PolarHBondContact O-N 2.84Å; Y678-C682 WeakPolarHBondContact CD1-O 3.21Å; Y678-P684 HydrophobicContact CD1-CG 4.21Å; Y678-P684 HydrophobicContact CE1-CG 3.47Å; Y678-P684 VanDerWaalsContact CE1-CG 3.47Å
679	V	56.8	Low	85.3	Confident	137 Å²	137	44.2 Å²	44.2	83%	0.83	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-56.9	136.6	-179.7	-175.9	0	0	0	0	111	G681	V679-G681 PolarHBondContact O-N 2.77Å
680	G	62.8	Low	85.3	Confident	71 Å²	71	48.4 Å²	48.4	73%	0.732	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	74.7	5.4	179.8	0	0	0	0	0	114.9	Y678 C682	Y678-G680 PolarHBondContact O-N 2.83Å; G680-C682 VanDerWaalsContact C-N 3.28Å; G680-C682 PolarHBondContact O-N 3.1Å
681	G	64.7	Low	85.2	Confident	17 Å²	17	51.1 Å²	51.1	18%	0.175	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	74.8	16.9	-178.4	0	0	0	0	0	113.8	Y678 V679 I683	Y678-G681 PolarHBondContact O-N 2.84Å; V679-G681 PolarHBondContact O-N 2.77Å; G681-I683 PolarHBondContact O-N 3.31Å
682	C	71.1	Confident	85.1	Confident	81 Å²	81	51.1 Å²	51.1	55%	0.547	29%	0.29	S	S	.	.			trans	-73.2	73.6	175.4	-67.4	0	0	0	0	110.9	Y678 G680	Y678-C682 WeakPolarHBondContact CD1-O 3.21Å; G680-C682 VanDerWaalsContact C-N 3.28Å; G680-C682 PolarHBondContact O-N 3.1Å
683	I	80.1	Confident	85.2	Confident	43 Å²	43	55.2 Å²	55.2	22%	0.221	31%	0.308	C	S	.	.			trans	-74.2	138.8	179.5	-65.2	172.6	0	0	0	109.7	Y675 G681 Y709 K714	Y675-I683 HydrophobicContact CD1-CD1 3.48Å; Y675-I683 VanDerWaalsContact CD1-CD1 3.48Å; Y675-I683 HydrophobicContact CD1-CG1 3.78Å; Y675-I683 HydrophobicContact CD1-CG2 4.26Å; Y675-I683 HydrophobicContact CE1-CD1 3.78Å; Y675-I683 HydrophobicContact CE1-CG1 4.25Å; Y675-I683 HydrophobicContact CE1-CG2 3.94Å; Y675-I683 HydrophobicContact CG-CD1 4.22Å; G681-I683 PolarHBondContact O-N 3.31Å; I683-Y709 HydrophobicContact CD1-CE2 3.65Å; I683-Y709 WeakPolarHBondContact CD1-OH 3.42Å; I683-K714 HydrophobicContact CD1-CB 4.45Å; I683-K714 HydrophobicContact CD1-CG 3.63Å
684	P	83	Confident	85.1	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.039	34%	0.339	C	S	.	.			trans	-63.2	138.7	-179.5	-9.7	19.9	0	0	0	111.9	L610 D611 F672 Y678 M686	L610-P684 HydrophobicContact CB-CB 3.57Å; L610-P684 HydrophobicContact CB-CG 3.8Å; L610-P684 VanDerWaalsContact O-CG 3.3Å; L610-P684 WeakPolarHBondContact O-CG 3.24Å; D611-P684 HydrophobicContact CB-CB 3.96Å; F672-P684 HydrophobicContact CZ-CG 3.92Å; Y678-P684 HydrophobicContact CD1-CG 4.21Å; Y678-P684 HydrophobicContact CE1-CG 3.47Å; Y678-P684 VanDerWaalsContact CE1-CG 3.47Å; P684-M686 HydrophobicContact CB-CE 3.58Å; P684-M686 HydrophobicContact CB-SD 4.29Å; P684-M686 HydrophobicContact CG-CE 3.64Å; P684-M686 PolarHBondContact O-N 2.95Å; P684-M686 VanDerWaalsContact O-N 3.16Å
685	K	88.5	Confident	85.1	Confident	119 Å²	119	60.8 Å²	60.8	52%	0.517	34%	0.338	S	S	.	.			trans	-75.6	103.9	168.9	-170.3	-175.4	-177.5	177.2	0	109.7	R602 E607	R602-K685 PolarHBondContact NH1-O 3.45Å; E607-K685 HydrophobicContact CG-CD 4.46Å; E607-K685 WeakPolarHBondContact OE1-CD 3.35Å; E607-K685 IonicContact OE1-NZ 3.64Å; E607-K685 VanDerWaalsContact OE2-CB 3.24Å; E607-K685 WeakPolarHBondContact OE2-CB 3.42Å
686	M	94	Very high	85.5	Confident	40 Å²	40	63.3 Å²	63.3	20%	0.197	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-73.8	149.8	176.9	-55	-57.6	169.8	0	0	111.2	D611 P643 F672 P684	D611-M686 HydrophobicContact CB-SD 4.15Å; P643-M686 HydrophobicContact CB-CB 4.19Å; P643-M686 HydrophobicContact CB-CG 4.01Å; P643-M686 HydrophobicContact CG-CG 4.28Å; F672-M686 HydrophobicContact CD2-CE 3.7Å; F672-M686 HydrophobicContact CE1-CE 4.26Å; F672-M686 HydrophobicContact CE2-CE 3.08Å; F672-M686 HydrophobicContact CZ-CE 3.38Å; P684-M686 HydrophobicContact CB-CE 3.58Å; P684-M686 HydrophobicContact CB-SD 4.29Å; P684-M686 HydrophobicContact CG-CE 3.64Å; P684-M686 PolarHBondContact O-N 2.95Å; P684-M686 VanDerWaalsContact O-N 3.16Å
687	M	95.1	Very high	86.1	Confident	17 Å²	17	63 Å²	63	8%	0.084	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.3	141	168.7	-69.6	176.5	71.7	0	0	110.4	P600 F645 Q691 L692 A695	P600-M687 HydrophobicContact CB-CE 3.59Å; P600-M687 HydrophobicContact CB-SD 4.11Å; P600-M687 HydrophobicContact CG-CE 3.98Å; P600-M687 HydrophobicContact CG-SD 4.16Å; F645-M687 HydrophobicContact CD2-SD 4.3Å; F645-M687 HydrophobicContact CE2-SD 4.4Å; M687-Q691 HydrophobicContact CB-CB 4.16Å; M687-Q691 HydrophobicContact CE-CB 3.83Å; M687-L692 HydrophobicContact CB-CD2 3.94Å; M687-L692 HydrophobicContact CB-CG 3.91Å; M687-L692 HydrophobicContact CE-CD2 4.33Å; M687-L692 HydrophobicContact SD-CD2 4.09Å; M687-A695 HydrophobicContact CE-CB 4.22Å
688	T	95.7	Very high	87	Confident	73 Å²	73	60.5 Å²	60.5	45%	0.448	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-68.6	158.7	173.4	71.1	0	0	0	0	110.8	H690 Q691 L692	T688-H690 PolarHBondContact O-N 2.89Å; T688-Q691 PolarHBondContact O-N 2.87Å; T688-Q691 WeakPolarHBondContact OG1-CG 3.38Å; T688-Q691 PolarHBondContact OG1-N 3.35Å; T688-Q691 VanDerWaalsContact OG1-N 3.11Å; T688-L692 WeakPolarHBondContact O-CG 3.41Å; T688-L692 PolarHBondContact O-N 3.49Å
689	V	97.3	Very high	88	Confident	46 Å²	46	59.4 Å²	59.4	28%	0.279	35%	0.345	S	S	.	.	H	α-helix	trans	-55.9	-37.8	175.7	-175.8	0	0	0	0	111	I667 L692 K693 V699 T701	I667-V689 HydrophobicContact CB-CG2 4.39Å; I667-V689 HydrophobicContact CG1-CG2 4.31Å; V689-L692 PolarHBondContact O-N 2.73Å; V689-K693 WeakPolarHBondContact O-CB 3.49Å; V689-K693 PolarHBondContact O-N 2.97Å; V689-V699 HydrophobicContact CG1-CB 4.09Å; V689-V699 HydrophobicContact CG1-CG2 3.65Å; V689-V699 WeakPolarHBondContact O-CG2 3.38Å; V689-T701 HydrophobicContact CG1-CG2 4.08Å
690	H	96.5	Very high	90	Very high	116 Å²	116	54.3 Å²	54.3	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-44.6	174.2	-67.6	-64.9	0	0	0	112.2	T688 L692 K693 H694	T688-H690 PolarHBondContact O-N 2.89Å; H690-L692 VanDerWaalsContact C-N 3.3Å; H690-L692 PolarHBondContact O-N 3.48Å; H690-K693 PolarHBondContact O-N 3.39Å; H690-K693 VanDerWaalsContact O-N 3.16Å; H690-H694 PolarHBondContact O-N 2.99Å; H690-H694 PolarHBondContact O-ND1 2.99Å
691	Q	95.7	Very high	91.7	Very high	79 Å²	79	53.6 Å²	53.6	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-41.1	176.6	-74.6	171.7	-37.6	0	0	111.8	M687 T688 H694 A695	M687-Q691 HydrophobicContact CB-CB 4.16Å; M687-Q691 HydrophobicContact CE-CB 3.83Å; T688-Q691 PolarHBondContact O-N 2.87Å; T688-Q691 WeakPolarHBondContact OG1-CG 3.38Å; T688-Q691 PolarHBondContact OG1-N 3.35Å; T688-Q691 VanDerWaalsContact OG1-N 3.11Å; Q691-H694 PolarHBondContact O-N 2.81Å; Q691-A695 VanDerWaalsContact O-CB 3.26Å; Q691-A695 WeakPolarHBondContact O-CB 3.47Å; Q691-A695 PolarHBondContact O-N 2.9Å
692	L	96.8	Very high	93.2	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-42.8	173.9	-69.2	169.9	0	0	0	111.7	F645 V648 M687 T688 V689 H690 A695 G696 Y697 V699	F645-L692 HydrophobicContact CD2-CD2 4.05Å; F645-L692 HydrophobicContact CE2-CD2 4.33Å; V648-L692 HydrophobicContact CG1-CD1 4.35Å; V648-L692 HydrophobicContact CG1-CD2 4.17Å; V648-L692 HydrophobicContact CG2-CD1 4.06Å; M687-L692 HydrophobicContact CB-CD2 3.94Å; M687-L692 HydrophobicContact CB-CG 3.91Å; M687-L692 HydrophobicContact CE-CD2 4.33Å; M687-L692 HydrophobicContact SD-CD2 4.09Å; T688-L692 WeakPolarHBondContact O-CG 3.41Å; T688-L692 PolarHBondContact O-N 3.49Å; V689-L692 PolarHBondContact O-N 2.73Å; H690-L692 VanDerWaalsContact C-N 3.3Å; H690-L692 PolarHBondContact O-N 3.48Å; L692-A695 CarbonylContact O-C 3.43Å; L692-A695 WeakPolarHBondContact O-CB 3.45Å; L692-A695 PolarHBondContact O-N 2.88Å; L692-G696 PolarHBondContact O-N 3.16Å; L692-Y697 HydrophobicContact CD2-CD2 4.09Å; L692-Y697 WeakPolarHBondContact O-CB 3.2Å; L692-Y697 WeakPolarHBondContact O-CD2 3.23Å; L692-Y697 PolarHBondContact O-N 3.48Å; L692-V699 HydrophobicContact CB-CG1 4.1Å; L692-V699 HydrophobicContact CB-CG2 3.99Å; L692-V699 HydrophobicContact CD1-CG1 4.22Å
693	K	96.7	Very high	94.5	Very high	89 Å²	89	58 Å²	58	39%	0.387	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-44.6	177.2	-170.5	64.9	172.1	-176.3	0	112.2	V689 H690 A695 G696 N698 V699 T701	V689-K693 WeakPolarHBondContact O-CB 3.49Å; V689-K693 PolarHBondContact O-N 2.97Å; H690-K693 PolarHBondContact O-N 3.39Å; H690-K693 VanDerWaalsContact O-N 3.16Å; K693-A695 PolarHBondContact O-N 2.8Å; K693-G696 PolarHBondContact O-N 2.85Å; K693-N698 PolarHBondContact NZ-OD1 3.3Å; K693-V699 HydrophobicContact CB-CG2 3.94Å; K693-V699 HydrophobicContact CD-CG2 4.37Å; K693-T701 HydrophobicContact CB-CG2 4.02Å; K693-T701 HydrophobicContact CD-CG2 4.4Å; K693-T701 HydrophobicContact CG-CG2 3.98Å
694	H	93.9	Very high	95.4	Very high	160 Å²	160	61.4 Å²	61.4	74%	0.741	33%	0.329	S	S	*	.	H	α-helix	trans	-64.3	-31.3	175.5	-72.2	90	0	0	0	112.1	H690 Q691 G696	H690-H694 PolarHBondContact O-N 2.99Å; H690-H694 PolarHBondContact O-ND1 2.99Å; Q691-H694 PolarHBondContact O-N 2.81Å; H694-G696 PolarHBondContact O-N 3.1Å
695	A	93.5	Very high	96.1	Very high	15 Å²	15	63.9 Å²	63.9	12%	0.124	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.4	173	0	0	0	0	0	114	W598 P600 M687 Q691 L692 K693 Y697	W598-A695 HydrophobicContact CH2-CB 3.97Å; P600-A695 HydrophobicContact CB-CB 4.04Å; P600-A695 HydrophobicContact CG-CB 3.86Å; M687-A695 HydrophobicContact CE-CB 4.22Å; Q691-A695 VanDerWaalsContact O-CB 3.26Å; Q691-A695 WeakPolarHBondContact O-CB 3.47Å; Q691-A695 PolarHBondContact O-N 2.9Å; L692-A695 CarbonylContact O-C 3.43Å; L692-A695 WeakPolarHBondContact O-CB 3.45Å; L692-A695 PolarHBondContact O-N 2.88Å; K693-A695 PolarHBondContact O-N 2.8Å; A695-Y697 HydrophobicContact CB-CD2 3.86Å; A695-Y697 HydrophobicContact CB-CE2 3.85Å
696	G	94.2	Very high	96.5	Very high	63 Å²	63	60.6 Å²	60.6	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	4.4	175.8	0	0	0	0	0	115.4	L692 K693 H694	L692-G696 PolarHBondContact O-N 3.16Å; K693-G696 PolarHBondContact O-N 2.85Å; H694-G696 PolarHBondContact O-N 3.1Å
697	Y	96.9	Very high	96.6	Very high	28 Å²	28	59.1 Å²	59.1	11%	0.11	33%	0.326	C	S	.	.			trans	-79.9	135.2	177.3	-61.3	-76.6	0	0	0	111.1	P600 F645 V648 Q649 C652 L692 A695 V699	P600-Y697 HydrophobicContact CG-CE2 4.26Å; F645-Y697 HydrophobicContact CE2-CD2 4.35Å; F645-Y697 HydrophobicContact CE2-CE1 4.46Å; F645-Y697 AromaticContact CE2-CE2 3.48Å; F645-Y697 HydrophobicContact CE2-CE2 3.48Å; F645-Y697 VanDerWaalsContact CE2-CE2 3.48Å; F645-Y697 AromaticContact CE2-CZ 3.55Å; F645-Y697 WeakPolarHBondContact CE2-OH 3.48Å; F645-Y697 HydrophobicContact CZ-CE2 4.04Å; F645-Y697 AromaticContact CZ-CZ 3.91Å; F645-Y697 VanDerWaalsContact CZ-OH 3.31Å; F645-Y697 WeakPolarHBondContact CZ-OH 3.49Å; V648-Y697 HydrophobicContact CG1-CD1 4.17Å; V648-Y697 HydrophobicContact CG1-CG 4.06Å; Q649-Y697 HydrophobicContact CG-CE1 3.91Å; C652-Y697 HydrophobicContact CB-CD1 3.92Å; L692-Y697 HydrophobicContact CD2-CD2 4.09Å; L692-Y697 WeakPolarHBondContact O-CB 3.2Å; L692-Y697 WeakPolarHBondContact O-CD2 3.23Å; L692-Y697 PolarHBondContact O-N 3.48Å; A695-Y697 HydrophobicContact CB-CD2 3.86Å; A695-Y697 HydrophobicContact CB-CE2 3.85Å; Y697-V699 PolarHBondContact O-N 3.31Å
698	N	97.3	Very high	96.4	Very high	43 Å²	43	61.8 Å²	61.8	23%	0.23	35%	0.346	C	S	.	.			trans	-77.2	60	-179.8	-168.3	26.5	0	0	0	112.9	S661 L663 S664 I665 K693	S661-N698 PolarHBondContact O-ND2 2.61Å; L663-N698 PolarHBondContact O-ND2 2.73Å; S664-N698 CarbonylContact C-O 3.55Å; S664-N698 WeakPolarHBondContact CA-O 3.47Å; I665-N698 PolarHBondContact N-O 2.71Å; K693-N698 PolarHBondContact NZ-OD1 3.3Å
699	V	98.2	Very high	95.9	Very high	2 Å²	2	62 Å²	62	1%	0.012	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-83.5	146.7	174.3	-63.3	0	0	0	0	111.3	V648 I665 I667 V689 L692 K693 Y697 T701	V648-V699 HydrophobicContact CG1-CG1 4.11Å; I665-V699 HydrophobicContact CB-CG1 4.49Å; I665-V699 WeakPolarHBondContact O-CA 3.49Å; I667-V699 HydrophobicContact CD1-CG1 4.08Å; I667-V699 HydrophobicContact CG1-CG1 4.25Å; V689-V699 HydrophobicContact CG1-CB 4.09Å; V689-V699 HydrophobicContact CG1-CG2 3.65Å; V689-V699 WeakPolarHBondContact O-CG2 3.38Å; L692-V699 HydrophobicContact CB-CG1 4.1Å; L692-V699 HydrophobicContact CB-CG2 3.99Å; L692-V699 HydrophobicContact CD1-CG1 4.22Å; K693-V699 HydrophobicContact CB-CG2 3.94Å; K693-V699 HydrophobicContact CD-CG2 4.37Å; Y697-V699 PolarHBondContact O-N 3.31Å; V699-T701 PolarHBondContact O-N 3.32Å
700	D	98.3	Very high	95.3	Very high	30 Å²	30	63.7 Å²	63.7	16%	0.16	35%	0.347	C	S	.	.			trans	-80.4	100.6	177.5	-167.8	-17.5	0	0	0	110.5	S664 I665 R666 N702 Y703	S664-D700 PolarHBondContact OG-OD2 3.37Å; I665-D700 PolarHBondContact O-N 2.86Å; R666-D700 HydrophobicContact CG-CB 4.13Å; R666-D700 IonicContact NE-OD2 3.56Å; D700-N702 VanDerWaalsContact C-N 3.26Å; D700-N702 PolarHBondContact O-N 2.84Å; D700-N702 PolarHBondContact OD1-N 3.08Å; D700-Y703 PolarHBondContact O-N 3.3Å; D700-Y703 PolarHBondContact OD1-N 3.07Å; D700-Y703 VanDerWaalsContact OD1-N 3.17Å
701	T	97.7	Very high	94.4	Very high	56 Å²	56	63.2 Å²	63.2	34%	0.344	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.5	178.7	53.4	0	0	0	0	113.5	V689 K693 V699	V689-T701 HydrophobicContact CG1-CG2 4.08Å; K693-T701 HydrophobicContact CB-CG2 4.02Å; K693-T701 HydrophobicContact CD-CG2 4.4Å; K693-T701 HydrophobicContact CG-CG2 3.98Å; V699-T701 PolarHBondContact O-N 3.32Å
702	N	97.7	Very high	93.4	Very high	147 Å²	147	66.1 Å²	66.1	79%	0.786	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.1	179.6	-62.9	-29.7	0	0	0	111.9	D700	D700-N702 VanDerWaalsContact C-N 3.26Å; D700-N702 PolarHBondContact O-N 2.84Å; D700-N702 PolarHBondContact OD1-N 3.08Å
703	Y	98.1	Very high	92.6	Very high	43 Å²	43	67 Å²	67	17%	0.169	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.6	127.5	178	178.7	-113.2	0	0	0	111.9	Y640 R666 E668 D700 P705 L706	Y640-Y703 HydrophobicContact CE1-CE2 4.42Å; Y640-Y703 AromaticContact CE1-CZ 3.98Å; Y640-Y703 WeakPolarHBondContact CE1-OH 3.39Å; R666-Y703 HydrophobicContact CB-CD1 3.63Å; R666-Y703 HydrophobicContact CB-CD2 4.31Å; R666-Y703 HydrophobicContact CB-CE1 3.72Å; R666-Y703 HydrophobicContact CB-CE2 4.39Å; R666-Y703 HydrophobicContact CB-CG 3.93Å; R666-Y703 HydrophobicContact CG-CD1 3.98Å; R666-Y703 HydrophobicContact CG-CD2 3.88Å; R666-Y703 HydrophobicContact CG-CE1 4.35Å; R666-Y703 HydrophobicContact CG-CE2 4.28Å; R666-Y703 HydrophobicContact CG-CG 3.71Å; E668-Y703 HydrophobicContact CG-CE1 4.47Å; E668-Y703 WeakPolarHBondContact OE1-CE1 3.23Å; E668-Y703 VanDerWaalsContact OE1-CZ 3.29Å; E668-Y703 PolarHBondContact OE1-OH 2.66Å; D700-Y703 PolarHBondContact O-N 3.3Å; D700-Y703 PolarHBondContact OD1-N 3.07Å; D700-Y703 VanDerWaalsContact OD1-N 3.17Å; Y703-P705 HydrophobicContact CE1-CB 4.4Å; Y703-P705 HydrophobicContact CE1-CG 4.41Å; Y703-L706 WeakPolarHBondContact OH-CG 3.37Å
704	T	97.8	Very high	91.7	Very high	116 Å²	116	65.9 Å²	65.9	71%	0.712	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-94.7	119.2	168	-56.1	0	0	0	0	109.2
705	P	98.1	Very high	91.1	Very high	57 Å²	57	67.1 Å²	67.1	37%	0.37	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-54.4	138.2	178.2	-28.6	36.7	0	0	0	113.5	E668 P669 Y703 S707	E668-P705 WeakPolarHBondContact OE1-CA 3.26Å; P669-P705 HydrophobicContact CG-CB 4.45Å; Y703-P705 HydrophobicContact CE1-CB 4.4Å; Y703-P705 HydrophobicContact CE1-CG 4.41Å; P705-S707 VanDerWaalsContact CB-O 3.26Å; P705-S707 WeakPolarHBondContact CB-O 3.28Å; P705-S707 PolarHBondContact O-N 3.46Å
706	L	97.7	Very high	90.9	Very high	51 Å²	51	67.3 Å²	67.3	27%	0.267	36%	0.364	S	S	.	.	S	Bend	trans	-76.5	-13	174.4	-63.6	171.1	0	0	0	111.9	E668 Y703 L728 R731 I732 V735	E668-L706 WeakPolarHBondContact OE1-CB 3.47Å; E668-L706 PolarHBondContact OE1-N 3.32Å; Y703-L706 WeakPolarHBondContact OH-CG 3.37Å; L706-L728 HydrophobicContact CB-CD1 3.98Å; L706-R731 HydrophobicContact CB-CB 4.37Å; L706-R731 HydrophobicContact CD1-CB 4.09Å; L706-R731 PolarHBondContact O-NH1 2.89Å; L706-I732 HydrophobicContact CD1-CG1 3.87Å; L706-V735 HydrophobicContact CD1-CG2 4.18Å; L706-V735 HydrophobicContact CD2-CG2 4.39Å
707	S	94.9	Very high	90.7	Very high	8 Å²	8	67.7 Å²	67.7	6%	0.056	36%	0.357	C	S	.	.			trans	-126.7	155.1	173.7	65.4	0	0	0	0	111.6	E668 P669 H670 P705	E668-S707 WeakPolarHBondContact OE2-CB 3.38Å; E668-S707 PolarHBondContact OE2-N 3.37Å; E668-S707 VanDerWaalsContact OE2-N 3.15Å; E668-S707 PolarHBondContact OE2-OG 3.26Å; P669-S707 WeakPolarHBondContact CD-OG 3.38Å; H670-S707 WeakPolarHBondContact CB-OG 3.4Å; H670-S707 VanDerWaalsContact CG-CB 3.4Å; H670-S707 PolarHBondContact N-OG 3.42Å; H670-S707 WeakPolarHBondContact ND1-CB 3.38Å; P705-S707 VanDerWaalsContact CB-O 3.26Å; P705-S707 WeakPolarHBondContact CB-O 3.28Å; P705-S707 PolarHBondContact O-N 3.46Å
708	S	91.4	Very high	90.5	Very high	73 Å²	73	67 Å²	67	51%	0.51	36%	0.355	S	S	.	.			trans	-130.3	138.6	174.5	59.3	0	0	0	0	108.6	H670	H670-S708 PolarHBondContact NE2-O 3.41Å
709	Y	85.9	Confident	90.2	Very high	79 Å²	79	68.3 Å²	68.3	31%	0.31	36%	0.359	S	S	.	.			trans	-67.1	134.3	171.1	171.9	-94.2	0	0	0	110.4	Y675 I683 D713 K714	Y675-Y709 HydrophobicContact CE1-CD2 4.18Å; Y675-Y709 AromaticContact CE1-CE2 3.83Å; Y675-Y709 HydrophobicContact CE1-CE2 3.83Å; Y675-Y709 HydrophobicContact CE2-CD2 4.22Å; Y675-Y709 HydrophobicContact CE2-CE2 4.16Å; Y675-Y709 AromaticContact CZ-CD2 3.65Å; Y675-Y709 AromaticContact CZ-CE2 3.67Å; Y675-Y709 VanDerWaalsContact OH-CD2 3.29Å; Y675-Y709 WeakPolarHBondContact OH-CD2 3.36Å; I683-Y709 HydrophobicContact CD1-CE2 3.65Å; I683-Y709 WeakPolarHBondContact CD1-OH 3.42Å; Y709-D713 HydrophobicContact CD2-CB 4.24Å; Y709-D713 HydrophobicContact CE2-CB 3.96Å; Y709-K714 VanDerWaalsContact OH-CE 3.25Å; Y709-K714 WeakPolarHBondContact OH-CE 3.31Å; Y709-K714 WeakPolarHBondContact OH-CG 3.46Å
710	N	83.4	Confident	89.9	Confident	80 Å²	80	69.3 Å²	69.3	43%	0.428	37%	0.371	S	S	.	.			trans	-120.6	149.7	176.2	-60.7	-37.7	0	0	0	110.4	N712 D713	N710-N712 PolarHBondContact O-N 3.2Å; N710-N712 VanDerWaalsContact O-N 3.11Å; N710-D713 PolarHBondContact N-OD2 3.37Å; N710-D713 WeakPolarHBondContact O-CB 3.37Å; N710-D713 VanDerWaalsContact O-CG 3.25Å; N710-D713 PolarHBondContact O-N 3.4Å
711	D	77.3	Confident	89.6	Confident	106 Å²	106	67.9 Å²	67.9	57%	0.567	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25.3	178.4	-81.3	-45.3	0	0	0	114.1	D713 K714	D711-D713 PolarHBondContact O-N 3.18Å; D711-K714 WeakPolarHBondContact O-CB 3.44Å; D711-K714 WeakPolarHBondContact O-CG 3.46Å; D711-K714 PolarHBondContact O-N 3.29Å; D711-K714 IonicContact OD1-NZ 3.46Å; D711-K714 PolarHBondContact OD1-NZ 3.41Å
712	N	75.8	Confident	89.4	Confident	141 Å²	141	65.8 Å²	65.8	75%	0.754	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.3	173.6	-65.8	-20.4	0	0	0	112.7	N710 K714	N710-N712 PolarHBondContact O-N 3.2Å; N710-N712 VanDerWaalsContact O-N 3.11Å; N712-K714 PolarHBondContact O-N 3.42Å
713	D	80	Confident	89.1	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.112	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-69.1	-23	179.9	-56.8	-23.6	0	0	0	111.5	H670 Y675 Y709 N710 D711 Y715 E716	H670-D713 IonicContact NE2-OD2 3.94Å; Y675-D713 WeakPolarHBondContact CB-O 3.25Å; Y675-D713 HydrophobicContact CD2-CB 3.75Å; Y675-D713 VanDerWaalsContact CD2-O 3.23Å; Y675-D713 WeakPolarHBondContact CD2-O 3.23Å; Y675-D713 HydrophobicContact CE2-CB 3.64Å; Y709-D713 HydrophobicContact CD2-CB 4.24Å; Y709-D713 HydrophobicContact CE2-CB 3.96Å; N710-D713 PolarHBondContact N-OD2 3.37Å; N710-D713 WeakPolarHBondContact O-CB 3.37Å; N710-D713 VanDerWaalsContact O-CG 3.25Å; N710-D713 PolarHBondContact O-N 3.4Å; D711-D713 PolarHBondContact O-N 3.18Å; D713-Y715 PolarHBondContact O-N 2.98Å; D713-Y715 VanDerWaalsContact O-N 3.09Å; D713-E716 WeakPolarHBondContact O-CB 3.37Å; D713-E716 WeakPolarHBondContact O-CG 3.42Å; D713-E716 PolarHBondContact O-N 3.44Å; D713-E716 VanDerWaalsContact O-N 3.14Å
714	K	77.4	Confident	88.9	Confident	65 Å²	65	61.5 Å²	61.5	28%	0.283	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-53.5	-32	178	-70.9	179.3	163.9	142.7	0	113.6	I683 Y709 D711 N712	I683-K714 HydrophobicContact CD1-CB 4.45Å; I683-K714 HydrophobicContact CD1-CG 3.63Å; Y709-K714 VanDerWaalsContact OH-CE 3.25Å; Y709-K714 WeakPolarHBondContact OH-CE 3.31Å; Y709-K714 WeakPolarHBondContact OH-CG 3.46Å; D711-K714 WeakPolarHBondContact O-CB 3.44Å; D711-K714 WeakPolarHBondContact O-CG 3.46Å; D711-K714 PolarHBondContact O-N 3.29Å; D711-K714 IonicContact OD1-NZ 3.46Å; D711-K714 PolarHBondContact OD1-NZ 3.41Å; N712-K714 PolarHBondContact O-N 3.42Å
715	Y	81.3	Confident	88.8	Confident	185 Å²	185	56 Å²	56	73%	0.725	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-117.2	25.7	-173.8	-52.8	-72.7	0	0	0	111.5	D713	D713-Y715 PolarHBondContact O-N 2.98Å; D713-Y715 VanDerWaalsContact O-N 3.09Å
716	E	88.7	Confident	88.6	Confident	20 Å²	20	54.4 Å²	54.4	9%	0.093	29%	0.287	C	S	.	.			trans	-63.3	140.8	-176.5	74	177.6	167	0	0	112.4	W674 Y675 D713 Y721 R724	W674-E716 WeakPolarHBondContact CA-OE1 3.26Å; W674-E716 PolarHBondContact NE1-O 3.35Å; Y675-E716 HydrophobicContact CD2-CG 4.19Å; Y675-E716 WeakPolarHBondContact CD2-OE1 3.5Å; Y675-E716 PolarHBondContact N-OE1 3.08Å; D713-E716 WeakPolarHBondContact O-CB 3.37Å; D713-E716 WeakPolarHBondContact O-CG 3.42Å; D713-E716 PolarHBondContact O-N 3.44Å; D713-E716 VanDerWaalsContact O-N 3.14Å; E716-Y721 WeakPolarHBondContact OE2-CA 3.44Å; E716-Y721 PolarHBondContact OE2-N 3.1Å; E716-R724 IonicContact OE1-CZ 3.58Å; E716-R724 IonicContact OE1-NE 2.72Å; E716-R724 PolarHBondContact OE1-NE 3.12Å; E716-R724 IonicContact OE1-NH2 2.85Å; E716-R724 PolarHBondContact OE1-NH2 3.23Å; E716-R724 WeakPolarHBondContact OE2-CD 3.49Å; E716-R724 IonicContact OE2-CZ 3.24Å; E716-R724 IonicContact OE2-NE 3.69Å; E716-R724 PolarHBondContact OE2-NE 2.97Å; E716-R724 IonicContact OE2-NH2 2.66Å
717	S	91.4	Very high	88.5	Confident	70 Å²	70	55.2 Å²	55.2	49%	0.49	29%	0.294	S	S	.	.			trans	-76.1	165.4	167.7	68.2	0	0	0	0	110.9	Q719 G720 Y721	S717-Q719 PolarHBondContact O-N 2.78Å; S717-G720 WeakPolarHBondContact O-CA 3.44Å; S717-G720 PolarHBondContact O-N 2.96Å; S717-G720 PolarHBondContact OG-N 3.35Å; S717-Y721 PolarHBondContact O-N 3.06Å
718	I	91.6	Very high	88.7	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-37.1	171.7	-66.8	169.6	0	0	0	110.9	W674 Y721 C722 L768 T770 F773	W674-I718 HydrophobicContact CD2-CG1 4.29Å; W674-I718 HydrophobicContact CH2-CG1 4.22Å; W674-I718 HydrophobicContact CZ2-CG1 3.85Å; I718-Y721 PolarHBondContact O-N 3.49Å; I718-C722 PolarHBondContact O-N 2.95Å; I718-C722 PolarHBondContact O-SG 3.18Å; I718-L768 HydrophobicContact CG2-CD2 4.29Å; I718-T770 HydrophobicContact CD1-CG2 3.9Å; I718-F773 HydrophobicContact CD1-CB 4.06Å; I718-F773 HydrophobicContact CD1-CD1 3.69Å; I718-F773 HydrophobicContact CD1-CE1 4.41Å; I718-F773 HydrophobicContact CD1-CG 4.02Å; I718-F773 HydrophobicContact CG1-CD1 3.95Å; I718-F773 HydrophobicContact CG1-CE1 4.24Å; I718-F773 HydrophobicContact CG1-CG 4.29Å; I718-F773 HydrophobicContact CG2-CB 3.96Å; I718-F773 HydrophobicContact CG2-CD1 4.21Å; I718-F773 HydrophobicContact CG2-CD2 3.73Å; I718-F773 HydrophobicContact CG2-CE2 4.25Å; I718-F773 HydrophobicContact CG2-CG 3.7Å
719	Q	90.9	Very high	89	Confident	69 Å²	69	51.4 Å²	51.4	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-44.3	174.7	-172	61.4	50	0	0	111.3	S717 Y721 C722 D723 N766	S717-Q719 PolarHBondContact O-N 2.78Å; Q719-Y721 VanDerWaalsContact C-N 3.29Å; Q719-Y721 PolarHBondContact O-N 2.87Å; Q719-C722 WeakPolarHBondContact O-CB 3.37Å; Q719-C722 PolarHBondContact O-N 2.96Å; Q719-C722 VanDerWaalsContact O-N 3.15Å; Q719-D723 PolarHBondContact NE2-OD1 2.84Å; Q719-D723 WeakPolarHBondContact O-CB 3.14Å; Q719-D723 PolarHBondContact O-N 2.67Å; Q719-N766 PolarHBondContact OE1-O 3.02Å
720	G	92	Very high	89.5	Confident	24 Å²	24	54.1 Å²	54.1	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-41.9	175	0	0	0	0	0	112.6	S717 D723 R724	S717-G720 WeakPolarHBondContact O-CA 3.44Å; S717-G720 PolarHBondContact O-N 2.96Å; S717-G720 PolarHBondContact OG-N 3.35Å; G720-D723 PolarHBondContact O-N 3.38Å; G720-R724 WeakPolarHBondContact O-CG 3.49Å; G720-R724 PolarHBondContact O-N 2.78Å
721	Y	93.5	Very high	90.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-49.5	173.1	172.3	-135.3	0	0	0	112.2	W674 E716 S717 I718 Q719 D723 R724 T725 S750 S751 T754 F773	W674-Y721 HydrophobicContact CB-CD1 3.79Å; W674-Y721 HydrophobicContact CB-CE1 4.14Å; W674-Y721 HydrophobicContact CB-CG 4.05Å; W674-Y721 HydrophobicContact CG-CD1 4.32Å; W674-Y721 HydrophobicContact CG-CG 4.44Å; E716-Y721 WeakPolarHBondContact OE2-CA 3.44Å; E716-Y721 PolarHBondContact OE2-N 3.1Å; S717-Y721 PolarHBondContact O-N 3.06Å; I718-Y721 PolarHBondContact O-N 3.49Å; Q719-Y721 VanDerWaalsContact C-N 3.29Å; Q719-Y721 PolarHBondContact O-N 2.87Å; Y721-D723 VanDerWaalsContact C-N 3.31Å; Y721-D723 PolarHBondContact O-N 2.89Å; Y721-R724 VanDerWaalsContact CD2-CZ 3.43Å; Y721-R724 VanDerWaalsContact O-CG 3.31Å; Y721-R724 WeakPolarHBondContact O-CG 3.46Å; Y721-T725 WeakPolarHBondContact O-CB 2.92Å; Y721-T725 PolarHBondContact O-N 2.76Å; Y721-T725 VanDerWaalsContact O-N 3.12Å; Y721-T725 PolarHBondContact O-OG1 3.25Å; Y721-T725 VanDerWaalsContact O-OG1 3.13Å; Y721-S750 WeakPolarHBondContact CE1-OG 3.36Å; Y721-S750 PolarHBondContact OH-OG 3.43Å; Y721-S751 PolarHBondContact OH-OG 3.02Å; Y721-T754 HydrophobicContact CD1-CG2 3.88Å; Y721-T754 HydrophobicContact CE1-CG2 3.47Å; Y721-T754 VanDerWaalsContact CE1-CG2 3.47Å; Y721-T754 PolarHBondContact OH-OG1 2.98Å; Y721-F773 AromaticContact CD1-CE2 3.8Å; Y721-F773 HydrophobicContact CD1-CE2 3.8Å; Y721-F773 AromaticContact CD1-CZ 3.85Å; Y721-F773 HydrophobicContact CD1-CZ 3.85Å; Y721-F773 AromaticContact CE1-CE2 3.77Å; Y721-F773 HydrophobicContact CE1-CE2 3.77Å; Y721-F773 AromaticContact CE1-CZ 3.84Å; Y721-F773 HydrophobicContact CE1-CZ 3.84Å
722	C	91.9	Very high	91.2	Very high	11 Å²	11	51 Å²	51	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-43.1	176.8	-66.3	0	0	0	0	111.8	I718 Q719 A726	I718-C722 PolarHBondContact O-N 2.95Å; I718-C722 PolarHBondContact O-SG 3.18Å; Q719-C722 WeakPolarHBondContact O-CB 3.37Å; Q719-C722 PolarHBondContact O-N 2.96Å; Q719-C722 VanDerWaalsContact O-N 3.15Å; C722-A726 WeakPolarHBondContact O-CB 3.1Å; C722-A726 PolarHBondContact O-N 3.4Å
723	D	92.3	Very high	92.2	Very high	82 Å²	82	44.9 Å²	44.9	44%	0.439	22%	0.222	S	C	.	.	H	α-helix	trans	-67.4	-46.5	-177.4	-67.4	-18.3	0	0	0	111.6	Q719 G720 Y721 T725 A726 V727	Q719-D723 PolarHBondContact NE2-OD1 2.84Å; Q719-D723 WeakPolarHBondContact O-CB 3.14Å; Q719-D723 PolarHBondContact O-N 2.67Å; G720-D723 PolarHBondContact O-N 3.38Å; Y721-D723 VanDerWaalsContact C-N 3.31Å; Y721-D723 PolarHBondContact O-N 2.89Å; D723-T725 VanDerWaalsContact C-N 3.31Å; D723-T725 PolarHBondContact O-N 2.97Å; D723-A726 PolarHBondContact O-N 3.21Å; D723-V727 WeakPolarHBondContact O-CG2 3.19Å; D723-V727 PolarHBondContact O-N 2.82Å
724	R	94.1	Very high	93.1	Very high	18 Å²	18	48.4 Å²	48.4	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-37.2	179	72.5	167.4	168.2	90.3	-10.7	112.1	H670 F672 E673 E716 G720 Y721 L728	H670-R724 VanDerWaalsContact C-NH1 3.32Å; H670-R724 PolarHBondContact O-NH1 3Å; F672-R724 PolarHBondContact O-NH1 3.47Å; F672-R724 PolarHBondContact O-NH2 3.04Å; F672-R724 VanDerWaalsContact O-NH2 3.1Å; E673-R724 PolarHBondContact O-NH2 3.37Å; E716-R724 IonicContact OE1-CZ 3.58Å; E716-R724 IonicContact OE1-NE 2.72Å; E716-R724 PolarHBondContact OE1-NE 3.12Å; E716-R724 IonicContact OE1-NH2 2.85Å; E716-R724 PolarHBondContact OE1-NH2 3.23Å; E716-R724 WeakPolarHBondContact OE2-CD 3.49Å; E716-R724 IonicContact OE2-CZ 3.24Å; E716-R724 IonicContact OE2-NE 3.69Å; E716-R724 PolarHBondContact OE2-NE 2.97Å; E716-R724 IonicContact OE2-NH2 2.66Å; G720-R724 WeakPolarHBondContact O-CG 3.49Å; G720-R724 PolarHBondContact O-N 2.78Å; Y721-R724 VanDerWaalsContact CD2-CZ 3.43Å; Y721-R724 VanDerWaalsContact O-CG 3.31Å; Y721-R724 WeakPolarHBondContact O-CG 3.46Å; R724-L728 PolarHBondContact O-N 3.12Å; R724-L728 VanDerWaalsContact O-N 3.08Å
725	T	95	Very high	94	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-42.9	176	-61.6	0	0	0	0	110.4	Y721 D723 V727 L728 I729 C755	Y721-T725 WeakPolarHBondContact O-CB 2.92Å; Y721-T725 PolarHBondContact O-N 2.76Å; Y721-T725 VanDerWaalsContact O-N 3.12Å; Y721-T725 PolarHBondContact O-OG1 3.25Å; Y721-T725 VanDerWaalsContact O-OG1 3.13Å; D723-T725 VanDerWaalsContact C-N 3.31Å; D723-T725 PolarHBondContact O-N 2.97Å; T725-V727 VanDerWaalsContact C-N 3.35Å; T725-V727 PolarHBondContact O-N 2.69Å; T725-L728 PolarHBondContact O-N 3.26Å; T725-L728 VanDerWaalsContact O-N 3.17Å; T725-I729 HydrophobicContact CG2-CG1 4.3Å; T725-I729 WeakPolarHBondContact O-CG1 3.5Å; T725-I729 PolarHBondContact O-N 3.49Å; T725-C755 HydrophobicContact CG2-CB 4.36Å; T725-C755 VanDerWaalsContact CG2-SG 3.55Å
726	A	94.4	Very high	94.8	Very high	22 Å²	22	42 Å²	42	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-41.1	176.3	0	0	0	0	0	112.8	C722 D723 I729 K730 H758	C722-A726 WeakPolarHBondContact O-CB 3.1Å; C722-A726 PolarHBondContact O-N 3.4Å; D723-A726 PolarHBondContact O-N 3.21Å; A726-I729 PolarHBondContact O-N 3.21Å; A726-K730 WeakPolarHBondContact O-CB 3.48Å; A726-K730 PolarHBondContact O-N 3.03Å; A726-H758 HydrophobicContact CB-CB 4.13Å; A726-H758 VanDerWaalsContact CB-CD2 3.48Å; A726-H758 WeakPolarHBondContact CB-CD2 3.39Å
727	V	95.9	Very high	95.1	Very high	69 Å²	69	48.3 Å²	48.3	42%	0.418	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-44.5	174.2	171	0	0	0	0	111	D723 T725 K730 R731	D723-V727 WeakPolarHBondContact O-CG2 3.19Å; D723-V727 PolarHBondContact O-N 2.82Å; T725-V727 VanDerWaalsContact C-N 3.35Å; T725-V727 PolarHBondContact O-N 2.69Å; V727-K730 PolarHBondContact O-N 3.46Å; V727-R731 WeakPolarHBondContact O-CG 3.32Å; V727-R731 PolarHBondContact O-N 2.81Å; V727-R731 VanDerWaalsContact O-N 3.08Å
728	L	97.9	Very high	95.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-49.3	177.1	174.3	62	0	0	0	111.7	E668 H670 L671 L706 R724 T725 K730 R731 I732	E668-L728 HydrophobicContact CB-CD2 3.97Å; E668-L728 HydrophobicContact CG-CD1 4.09Å; E668-L728 HydrophobicContact CG-CD2 4.17Å; E668-L728 WeakPolarHBondContact OE2-CD1 3.36Å; H670-L728 HydrophobicContact CB-CB 4.28Å; H670-L728 HydrophobicContact CB-CD2 3.87Å; L671-L728 HydrophobicContact CD2-CD2 3.82Å; L671-L728 HydrophobicContact CG-CD2 3.73Å; L706-L728 HydrophobicContact CB-CD1 3.98Å; R724-L728 PolarHBondContact O-N 3.12Å; R724-L728 VanDerWaalsContact O-N 3.08Å; T725-L728 PolarHBondContact O-N 3.26Å; T725-L728 VanDerWaalsContact O-N 3.17Å; L728-K730 VanDerWaalsContact C-N 3.3Å; L728-K730 PolarHBondContact O-N 3.02Å; L728-R731 WeakPolarHBondContact O-CA 3.2Å; L728-R731 WeakPolarHBondContact O-CB 3.47Å; L728-R731 PolarHBondContact O-N 3.29Å; L728-I732 HydrophobicContact CD1-CD1 3.97Å; L728-I732 HydrophobicContact CD1-CG1 4.08Å; L728-I732 HydrophobicContact CD2-CD1 4.37Å; L728-I732 HydrophobicContact CG-CD1 3.88Å; L728-I732 HydrophobicContact CG-CG1 4.39Å; L728-I732 WeakPolarHBondContact O-CG1 3.38Å; L728-I732 PolarHBondContact O-N 3.46Å
729	I	97.9	Very high	95.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-42	-179.7	-65	-59.9	0	0	0	110.9	M560 T725 A726 R731 I732 L733 I745 C755 H758 L759	M560-I729 HydrophobicContact CE-CG2 4.44Å; M560-I729 HydrophobicContact SD-CD1 4.12Å; M560-I729 HydrophobicContact SD-CG2 4.19Å; T725-I729 HydrophobicContact CG2-CG1 4.3Å; T725-I729 WeakPolarHBondContact O-CG1 3.5Å; T725-I729 PolarHBondContact O-N 3.49Å; A726-I729 PolarHBondContact O-N 3.21Å; I729-R731 VanDerWaalsContact C-N 3.32Å; I729-R731 PolarHBondContact O-N 3.3Å; I729-I732 HydrophobicContact CD1-CD1 4.48Å; I729-I732 PolarHBondContact O-N 2.85Å; I729-L733 HydrophobicContact CG2-CD1 3.98Å; I729-L733 HydrophobicContact CG2-CG 4.29Å; I729-L733 WeakPolarHBondContact O-CB 3.28Å; I729-L733 WeakPolarHBondContact O-CG 3.25Å; I729-L733 PolarHBondContact O-N 3.29Å; I729-I745 HydrophobicContact CD1-CD1 3.45Å; I729-I745 VanDerWaalsContact CD1-CD1 3.45Å; I729-C755 HydrophobicContact CD1-CB 3.89Å; I729-C755 HydrophobicContact CG1-CB 4.06Å; I729-H758 WeakPolarHBondContact CG2-NE2 3.39Å; I729-L759 HydrophobicContact CG2-CD1 4.08Å
730	K	97.1	Very high	95.2	Very high	135 Å²	135	56 Å²	56	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-58.9	-41	173.2	-173.4	177.5	-179.7	179.6	0	112.4	A726 V727 L728 N734	A726-K730 WeakPolarHBondContact O-CB 3.48Å; A726-K730 PolarHBondContact O-N 3.03Å; V727-K730 PolarHBondContact O-N 3.46Å; L728-K730 VanDerWaalsContact C-N 3.3Å; L728-K730 PolarHBondContact O-N 3.02Å; K730-N734 WeakPolarHBondContact O-CB 3.35Å; K730-N734 PolarHBondContact O-N 3.45Å; K730-N734 VanDerWaalsContact O-N 3.08Å; K730-N734 PolarHBondContact O-ND2 2.98Å
731	R	98.4	Very high	95.4	Very high	120 Å²	120	55.2 Å²	55.2	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-45.3	175.8	-69.5	173.2	-177.4	179	2.7	111.4	L706 V727 L728 I729 L733 N734 V735	L706-R731 HydrophobicContact CB-CB 4.37Å; L706-R731 HydrophobicContact CD1-CB 4.09Å; L706-R731 PolarHBondContact O-NH1 2.89Å; V727-R731 WeakPolarHBondContact O-CG 3.32Å; V727-R731 PolarHBondContact O-N 2.81Å; V727-R731 VanDerWaalsContact O-N 3.08Å; L728-R731 WeakPolarHBondContact O-CA 3.2Å; L728-R731 WeakPolarHBondContact O-CB 3.47Å; L728-R731 PolarHBondContact O-N 3.29Å; I729-R731 VanDerWaalsContact C-N 3.32Å; I729-R731 PolarHBondContact O-N 3.3Å; R731-L733 PolarHBondContact O-N 2.98Å; R731-N734 WeakPolarHBondContact O-CB 3.21Å; R731-N734 PolarHBondContact O-N 2.85Å; R731-N734 VanDerWaalsContact O-N 3.16Å; R731-V735 PolarHBondContact O-N 3.05Å; R731-V735 VanDerWaalsContact O-N 3.11Å
732	I	98.3	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-48.1	177	-68.8	172.2	0	0	0	110.9	Y640 L706 L728 I729 N734 V735 H736 L743	Y640-I732 HydrophobicContact CD1-CD1 3.92Å; Y640-I732 HydrophobicContact CD1-CG1 4.29Å; Y640-I732 HydrophobicContact CD2-CD1 4.26Å; Y640-I732 HydrophobicContact CD2-CG2 4.06Å; Y640-I732 HydrophobicContact CE1-CD1 4.19Å; Y640-I732 HydrophobicContact CE1-CG1 4.04Å; Y640-I732 HydrophobicContact CE2-CG1 4.44Å; Y640-I732 HydrophobicContact CE2-CG2 3.6Å; Y640-I732 HydrophobicContact CG-CD1 3.96Å; L706-I732 HydrophobicContact CD1-CG1 3.87Å; L728-I732 HydrophobicContact CD1-CD1 3.97Å; L728-I732 HydrophobicContact CD1-CG1 4.08Å; L728-I732 HydrophobicContact CD2-CD1 4.37Å; L728-I732 HydrophobicContact CG-CD1 3.88Å; L728-I732 HydrophobicContact CG-CG1 4.39Å; L728-I732 WeakPolarHBondContact O-CG1 3.38Å; L728-I732 PolarHBondContact O-N 3.46Å; I729-I732 HydrophobicContact CD1-CD1 4.48Å; I729-I732 PolarHBondContact O-N 2.85Å; I732-N734 PolarHBondContact O-N 3.39Å; I732-V735 WeakPolarHBondContact O-CB 3.45Å; I732-V735 PolarHBondContact O-N 3.24Å; I732-V735 VanDerWaalsContact O-N 3.09Å; I732-H736 PolarHBondContact O-CD2 2.99Å; I732-H736 PolarHBondContact O-N 3.49Å; I732-H736 VanDerWaalsContact O-N 3.07Å; I732-L743 HydrophobicContact CG2-CD1 3.66Å
733	L	97.2	Very high	95.9	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-24.8	178.4	-67.3	177.7	0	0	0	113.3	R558 I729 R731 H736 L743 L759 W794	R558-L733 PolarHBondContact NH1-O 3.35Å; R558-L733 VanDerWaalsContact NH1-O 3.08Å; I729-L733 HydrophobicContact CG2-CD1 3.98Å; I729-L733 HydrophobicContact CG2-CG 4.29Å; I729-L733 WeakPolarHBondContact O-CB 3.28Å; I729-L733 WeakPolarHBondContact O-CG 3.25Å; I729-L733 PolarHBondContact O-N 3.29Å; R731-L733 PolarHBondContact O-N 2.98Å; L733-H736 CarbonylContact O-C 3.47Å; L733-L743 HydrophobicContact CD2-CD1 4.02Å; L733-L759 HydrophobicContact CD1-CD1 4.3Å; L733-L759 HydrophobicContact CD1-CD2 3.72Å; L733-W794 HydrophobicContact CD1-CH2 4.38Å; L733-W794 HydrophobicContact CD1-CZ2 3.74Å; L733-W794 HydrophobicContact CD2-CH2 3.69Å; L733-W794 HydrophobicContact CD2-CZ2 3.62Å; L733-W794 HydrophobicContact CG-CZ2 4.32Å
734	N	97.3	Very high	96.3	Very high	96 Å²	96	51.2 Å²	51.2	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-76	-28.6	173.1	-76.7	-21.9	0	0	0	112.9	K730 R731 I732 K737	K730-N734 WeakPolarHBondContact O-CB 3.35Å; K730-N734 PolarHBondContact O-N 3.45Å; K730-N734 VanDerWaalsContact O-N 3.08Å; K730-N734 PolarHBondContact O-ND2 2.98Å; R731-N734 WeakPolarHBondContact O-CB 3.21Å; R731-N734 PolarHBondContact O-N 2.85Å; R731-N734 VanDerWaalsContact O-N 3.16Å; I732-N734 PolarHBondContact O-N 3.39Å; N734-K737 WeakPolarHBondContact O-CE 3.49Å; N734-K737 WeakPolarHBondContact O-CG 3.45Å
735	V	97.5	Very high	96.5	Very high	83 Å²	83	50.3 Å²	50.3	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-71.4	-42.4	171.3	174.4	0	0	0	0	109.9	L706 R731 I732	L706-V735 HydrophobicContact CD1-CG2 4.18Å; L706-V735 HydrophobicContact CD2-CG2 4.39Å; R731-V735 PolarHBondContact O-N 3.05Å; R731-V735 VanDerWaalsContact O-N 3.11Å; I732-V735 WeakPolarHBondContact O-CB 3.45Å; I732-V735 PolarHBondContact O-N 3.24Å; I732-V735 VanDerWaalsContact O-N 3.09Å
736	H	96.9	Very high	96.7	Very high	31 Å²	31	50.2 Å²	50.2	14%	0.144	25%	0.251	C	S	.	.			trans	-103.6	77.5	-176.4	-59	-77.3	0	0	0	112.8	R558 Y640 I732 L733 T741 L743	R558-H736 WeakPolarHBondContact CD-O 3.2Å; R558-H736 PolarHBondContact NH1-O 3.24Å; Y640-H736 AromaticContact CE2-NE2 3.69Å; Y640-H736 AromaticContact CZ-NE2 3.7Å; Y640-H736 PolarHBondContact OH-NE2 3.43Å; I732-H736 PolarHBondContact O-CD2 2.99Å; I732-H736 PolarHBondContact O-N 3.49Å; I732-H736 VanDerWaalsContact O-N 3.07Å; L733-H736 CarbonylContact O-C 3.47Å; H736-T741 HydrophobicContact CB-CG2 3.49Å; H736-T741 VanDerWaalsContact CB-CG2 3.49Å; H736-L743 HydrophobicContact CB-CD2 4.32Å
737	K	94.7	Very high	96.9	Very high	154 Å²	154	49.2 Å²	49.2	67%	0.67	24%	0.243	S	C	*	.			trans	-82.2	-17.4	-178.3	-64.1	-178.3	-177.1	174.7	0	114.5	N734	N734-K737 WeakPolarHBondContact O-CE 3.49Å; N734-K737 WeakPolarHBondContact O-CG 3.45Å
738	S	94.7	Very high	97	Very high	68 Å²	68	45.9 Å²	45.9	48%	0.476	22%	0.223	S	C	.	.	S	Bend	trans	-67.8	139.5	-174.4	-166.5	0	0	0	0	111.4	R558 D740 T741	R558-S738 VanDerWaalsContact CD-O 3.29Å; R558-S738 WeakPolarHBondContact CD-O 3.37Å; R558-S738 WeakPolarHBondContact CG-O 3.47Å; S738-D740 WeakPolarHBondContact CB-OD1 3.48Å; S738-D740 PolarHBondContact O-N 3.4Å; S738-D740 PolarHBondContact OG-OD1 3.25Å; S738-T741 VanDerWaalsContact O-CB 3.29Å; S738-T741 WeakPolarHBondContact O-CB 3.21Å; S738-T741 PolarHBondContact O-N 3.43Å; S738-T741 VanDerWaalsContact O-N 3.14Å; S738-T741 PolarHBondContact O-OG1 3.26Å
739	K	91.3	Very high	96.9	Very high	161 Å²	161	46.4 Å²	46.4	70%	0.7	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19	-176.8	-71.9	-172.2	177.8	-179.7	0	114.2	K556 S557 R558	K556-K739 CarbonylContact C-O 3.26Å; K556-K739 VanDerWaalsContact C-O 3.26Å; K556-K739 VanDerWaalsContact O-O 3.11Å; S557-K739 CarbonylContact C-O 3.02Å; S557-K739 WeakPolarHBondContact CA-O 3.38Å; S557-K739 PolarHBondContact N-O 3.15Å; R558-K739 PolarHBondContact N-O 3.05Å
740	D	91.6	Very high	96.8	Very high	86 Å²	86	46.5 Å²	46.5	46%	0.46	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6	177	65.5	-25	0	0	0	113.7	K556 S738 C742	K556-D740 HydrophobicContact CB-CB 4.49Å; K556-D740 HydrophobicContact CD-CB 4Å; S738-D740 WeakPolarHBondContact CB-OD1 3.48Å; S738-D740 PolarHBondContact O-N 3.4Å; S738-D740 PolarHBondContact OG-OD1 3.25Å; D740-C742 PolarHBondContact O-N 2.9Å
741	T	96.4	Very high	96.8	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.043	20%	0.2	C	C	.	.			trans	-60	129.3	176.3	-59.1	0	0	0	0	111.3	R558 Q559 H736 S738 L743	R558-T741 WeakPolarHBondContact CA-O 3.41Å; Q559-T741 PolarHBondContact N-O 3.05Å; H736-T741 HydrophobicContact CB-CG2 3.49Å; H736-T741 VanDerWaalsContact CB-CG2 3.49Å; S738-T741 VanDerWaalsContact O-CB 3.29Å; S738-T741 WeakPolarHBondContact O-CB 3.21Å; S738-T741 PolarHBondContact O-N 3.43Å; S738-T741 VanDerWaalsContact O-N 3.14Å; S738-T741 PolarHBondContact O-OG1 3.26Å; T741-L743 HydrophobicContact CG2-CD1 4.35Å; T741-L743 HydrophobicContact CG2-CD2 3.46Å; T741-L743 VanDerWaalsContact CG2-CD2 3.46Å; T741-L743 HydrophobicContact CG2-CG 3.64Å
742	C	97.7	Very high	96.6	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.054	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	106.4	169.9	-175.2	0	0	0	0	109.5	Q559 Y635 F636 T637 D740	Q559-C742 WeakPolarHBondContact O-CA 3.37Å; Y635-C742 WeakPolarHBondContact O-CB 3.43Å; F636-C742 WeakPolarHBondContact CA-O 3.3Å; T637-C742 PolarHBondContact N-O 3.14Å; T637-C742 PolarHBondContact OG1-N 2.86Å; T637-C742 PolarHBondContact OG1-O 3.4Å; T637-C742 VanDerWaalsContact OG1-O 3.11Å; D740-C742 PolarHBondContact O-N 2.9Å
743	L	98.4	Very high	96.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.9	-175.6	-55.3	178.1	0	0	0	111.2	Q559 M560 Y561 A638 Y640 I732 L733 H736 T741	Q559-L743 PolarHBondContact O-N 2.87Å; M560-L743 HydrophobicContact CB-CB 4.39Å; M560-L743 HydrophobicContact CG-CB 4.2Å; M560-L743 HydrophobicContact CG-CD1 4.47Å; Y561-L743 PolarHBondContact N-O 3.17Å; A638-L743 HydrophobicContact CB-CD2 3.78Å; Y640-L743 HydrophobicContact CE2-CD2 4.36Å; I732-L743 HydrophobicContact CG2-CD1 3.66Å; L733-L743 HydrophobicContact CD2-CD1 4.02Å; H736-L743 HydrophobicContact CB-CD2 4.32Å; T741-L743 HydrophobicContact CG2-CD1 4.35Å; T741-L743 HydrophobicContact CG2-CD2 3.46Å; T741-L743 VanDerWaalsContact CG2-CD2 3.46Å; T741-L743 HydrophobicContact CG2-CG 3.64Å
744	L	98.7	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.7	162.2	178.4	60.7	0	0	0	109.4	F636 A638 C639 Y640 L654 L655 V746	F636-L744 HydrophobicContact CD1-CB 3.66Å; F636-L744 HydrophobicContact CD2-CB 4.09Å; F636-L744 HydrophobicContact CD2-CD2 4.09Å; F636-L744 HydrophobicContact CE1-CB 3.76Å; F636-L744 HydrophobicContact CE1-CD1 4.27Å; F636-L744 HydrophobicContact CE2-CB 4.2Å; F636-L744 HydrophobicContact CE2-CD1 4.29Å; F636-L744 HydrophobicContact CE2-CD2 3.97Å; F636-L744 HydrophobicContact CE2-CG 4.38Å; F636-L744 HydrophobicContact CG-CB 3.84Å; F636-L744 HydrophobicContact CZ-CB 4.04Å; F636-L744 HydrophobicContact CZ-CD1 3.91Å; F636-L744 HydrophobicContact CZ-CD2 4.4Å; F636-L744 HydrophobicContact CZ-CG 4.34Å; A638-L744 PolarHBondContact O-N 3.27Å; C639-L744 CarbonylContact C-O 3.51Å; C639-L744 WeakPolarHBondContact CA-O 3.33Å; C639-L744 HydrophobicContact CB-CB 4.46Å; Y640-L744 PolarHBondContact N-O 3.01Å; L654-L744 HydrophobicContact CD2-CD2 3.84Å; L655-L744 HydrophobicContact CD2-CD2 4.14Å; L655-L744 HydrophobicContact CG-CD2 4.38Å; L744-V746 HydrophobicContact CD1-CG2 4.09Å; L744-V746 HydrophobicContact CD2-CG2 4.07Å; L744-V746 HydrophobicContact CG-CG2 3.92Å
745	I	98.8	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.5	170.6	-59.3	-173.6	0	0	0	108.4	M560 Y561 V562 M563 Y640 L671 I729	M560-I745 HydrophobicContact CG-CD1 3.95Å; M560-I745 HydrophobicContact CG-CG1 4.34Å; M560-I745 HydrophobicContact SD-CD1 3.59Å; M560-I745 VanDerWaalsContact SD-CD1 3.59Å; Y561-I745 PolarHBondContact O-N 2.68Å; V562-I745 CarbonylContact C-O 3.5Å; V562-I745 WeakPolarHBondContact CA-O 3.43Å; V562-I745 HydrophobicContact CG1-CB 4.38Å; V562-I745 HydrophobicContact CG1-CG2 4.29Å; V562-I745 HydrophobicContact CG2-CB 4.36Å; M563-I745 PolarHBondContact N-O 3.06Å; Y640-I745 VanDerWaalsContact O-CA 3.29Å; Y640-I745 WeakPolarHBondContact O-CA 3.36Å; L671-I745 HydrophobicContact CD1-CG2 3.8Å; L671-I745 HydrophobicContact CD2-CG2 3.77Å; L671-I745 HydrophobicContact CG-CG2 4.44Å; I729-I745 HydrophobicContact CD1-CD1 3.45Å; I729-I745 VanDerWaalsContact CD1-CD1 3.45Å
746	V	98.9	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.2	174.4	-175.4	0	0	0	0	109.8	Y640 C641 S642 C647 T650 A651 L744	Y640-V746 PolarHBondContact O-N 3.14Å; C641-V746 WeakPolarHBondContact CA-O 3.42Å; C641-V746 PolarHBondContact SG-O 3.49Å; S642-V746 PolarHBondContact N-O 3.44Å; C647-V746 HydrophobicContact CB-CG1 4.23Å; C647-V746 WeakPolarHBondContact O-CG1 3.4Å; T650-V746 HydrophobicContact CG2-CG1 3.91Å; A651-V746 HydrophobicContact CB-CB 3.99Å; A651-V746 HydrophobicContact CB-CG1 4.33Å; A651-V746 HydrophobicContact CB-CG2 3.74Å; L744-V746 HydrophobicContact CD1-CG2 4.09Å; L744-V746 HydrophobicContact CD2-CG2 4.07Å; L744-V746 HydrophobicContact CG-CG2 3.92Å
747	A	98.7	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-130.6	-175.2	0	0	0	0	0	110.4	M563 H565 C647 L671 S751	M563-A747 PolarHBondContact O-N 2.98Å; H565-A747 PolarHBondContact CD2-O 3.48Å; H565-A747 PolarHBondContact N-O 3.05Å; C647-A747 PolarHBondContact SG-O 3.4Å; C647-A747 VanDerWaalsContact SG-O 3.39Å; L671-A747 HydrophobicContact CB-CB 4.38Å; A747-S751 VanDerWaalsContact CB-OG 3.25Å; A747-S751 WeakPolarHBondContact CB-OG 3.39Å
748	H	98.1	Very high	95.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.			trans	-117.5	174.2	-168.6	-51.9	-82.9	0	0	0	111.6	H565 S642 R646 C647 L671 F672 E673 S750 S751	H565-H748 AromaticContact CD2-ND1 3.51Å; H565-H748 AromaticContact NE2-ND1 3.83Å; S642-H748 WeakPolarHBondContact CB-NE2 3.43Å; S642-H748 PolarHBondContact OG-NE2 3.39Å; R646-H748 PolarHBondContact NH2-CE1 3.15Å; R646-H748 PolarHBondContact NH2-ND1 3.17Å; C647-H748 VanDerWaalsContact SG-CE1 3.57Å; L671-H748 PolarHBondContact O-CD2 3.06Å; L671-H748 VanDerWaalsContact O-CD2 3.3Å; F672-H748 AromaticContact CD2-NE2 3.8Å; E673-H748 HydrophobicContact CB-CB 3.89Å; E673-H748 PolarHBondContact N-CD2 2.99Å; E673-H748 PolarHBondContact N-NE2 2.74Å; E673-H748 IonicContact OE2-CG 3.84Å; E673-H748 IonicContact OE2-ND1 2.74Å; H748-S750 VanDerWaalsContact C-N 3.33Å; H748-S750 PolarHBondContact O-N 3.4Å; H748-S751 PolarHBondContact N-OG 3.03Å; H748-S751 VanDerWaalsContact N-OG 3.13Å; H748-S751 VanDerWaalsContact O-CB 3.23Å; H748-S751 WeakPolarHBondContact O-CB 3.48Å; H748-S751 PolarHBondContact O-N 3.02Å
749	A	95.7	Very high	95	Very high	11 Å²	11	19.7 Å²	19.7	9%	0.091	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-47.8	-178	0	0	0	0	0	112.1	R564 S751 T777 V780	R564-A749 HydrophobicContact CG-CB 4.32Å; A749-S751 PolarHBondContact O-N 3.39Å; A749-T777 HydrophobicContact CB-CG2 3.79Å; A749-V780 HydrophobicContact CB-CB 4.01Å; A749-V780 HydrophobicContact CB-CG1 4.33Å
750	S	95.7	Very high	94.8	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.021	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.2	178.3	56.6	0	0	0	0	113.3	Y721 H748 L752 D753 T754 T777	Y721-S750 WeakPolarHBondContact CE1-OG 3.36Å; Y721-S750 PolarHBondContact OH-OG 3.43Å; H748-S750 VanDerWaalsContact C-N 3.33Å; H748-S750 PolarHBondContact O-N 3.4Å; S750-L752 VanDerWaalsContact C-N 3.28Å; S750-L752 PolarHBondContact O-N 3.27Å; S750-D753 PolarHBondContact O-N 2.76Å; S750-T754 PolarHBondContact O-N 3.13Å; S750-T754 PolarHBondContact O-OG1 3.42Å; S750-T777 WeakPolarHBondContact CB-OG1 3.39Å
751	S	97	Very high	94	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	7%	0.066	C	C	.	.	H	α-helix	trans	-65.7	-29.2	-176.8	-56.9	0	0	0	0	112.9	Y721 A747 H748 A749 D753 T754 C755	Y721-S751 PolarHBondContact OH-OG 3.02Å; A747-S751 VanDerWaalsContact CB-OG 3.25Å; A747-S751 WeakPolarHBondContact CB-OG 3.39Å; H748-S751 PolarHBondContact N-OG 3.03Å; H748-S751 VanDerWaalsContact N-OG 3.13Å; H748-S751 VanDerWaalsContact O-CB 3.23Å; H748-S751 WeakPolarHBondContact O-CB 3.48Å; H748-S751 PolarHBondContact O-N 3.02Å; A749-S751 PolarHBondContact O-N 3.39Å; S751-D753 VanDerWaalsContact C-N 3.25Å; S751-D753 PolarHBondContact O-N 3.42Å; S751-T754 WeakPolarHBondContact CA-OG1 3.48Å; S751-C755 WeakPolarHBondContact O-CB 3.24Å; S751-C755 PolarHBondContact O-N 3.25Å; S751-C755 PolarHBondContact O-SG 3.06Å
752	L	95.9	Very high	92.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.7	-44.9	175.4	-81.7	70.3	0	0	0	110.8	V562 R564 S750 T756 V780 L786 F813 L818	V562-L752 HydrophobicContact CG1-CD1 4.31Å; V562-L752 HydrophobicContact CG1-CG 4.35Å; R564-L752 HydrophobicContact CB-CD1 4.2Å; S750-L752 VanDerWaalsContact C-N 3.28Å; S750-L752 PolarHBondContact O-N 3.27Å; L752-T756 WeakPolarHBondContact O-CG2 3.45Å; L752-T756 PolarHBondContact O-OG1 3.1Å; L752-V780 HydrophobicContact CD1-CG1 4.09Å; L752-V780 HydrophobicContact CD2-CG1 3.7Å; L752-V780 HydrophobicContact CD2-CG2 4.31Å; L752-V780 HydrophobicContact CG-CG1 4.48Å; L752-L786 HydrophobicContact CB-CB 4.36Å; L752-L786 HydrophobicContact CB-CD2 4.17Å; L752-L786 HydrophobicContact CD2-CB 3.99Å; L752-L786 HydrophobicContact CG-CB 4.03Å; L752-L786 WeakPolarHBondContact O-CD2 2.79Å; L752-F813 HydrophobicContact CD2-CE1 3.59Å; L752-F813 HydrophobicContact CD2-CZ 3.64Å; L752-L818 HydrophobicContact CB-CD1 3.96Å
753	D	93.6	Very high	90.4	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.043	10%	0.104	C	C	.	.	H	α-helix	trans	-76.7	-52.8	177.3	-173.8	74.5	0	0	0	111.4	S750 S751 C755 T756 R757 R776 L818	S750-D753 PolarHBondContact O-N 2.76Å; S751-D753 VanDerWaalsContact C-N 3.25Å; S751-D753 PolarHBondContact O-N 3.42Å; D753-C755 VanDerWaalsContact C-N 3.33Å; D753-C755 PolarHBondContact O-N 3.08Å; D753-T756 PolarHBondContact O-N 3.41Å; D753-T756 VanDerWaalsContact O-N 3.07Å; D753-T756 PolarHBondContact O-OG1 3.44Å; D753-R757 WeakPolarHBondContact O-CB 3.41Å; D753-R757 PolarHBondContact O-N 2.66Å; D753-R757 IonicContact OD1-CZ 3.22Å; D753-R757 IonicContact OD1-NE 2.92Å; D753-R757 IonicContact OD1-NH2 2.67Å; D753-R757 PolarHBondContact OD1-NH2 2.89Å; D753-R757 IonicContact OD2-CZ 3.33Å; D753-R757 IonicContact OD2-NE 3.97Å; D753-R757 PolarHBondContact OD2-NE 2.92Å; D753-R757 IonicContact OD2-NH2 3.08Å; D753-R757 PolarHBondContact OD2-NH2 2.93Å; D753-R776 IonicContact OD1-CZ 3.79Å; D753-R776 IonicContact OD1-NH1 3.94Å; D753-R776 PolarHBondContact OD1-NH1 3.28Å; D753-L818 HydrophobicContact CB-CD2 4.25Å
754	T	93.8	Very high	88.1	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-30.8	-173.8	58.7	0	0	0	0	114	Y721 S750 S751 T756 F773	Y721-T754 HydrophobicContact CD1-CG2 3.88Å; Y721-T754 HydrophobicContact CE1-CG2 3.47Å; Y721-T754 VanDerWaalsContact CE1-CG2 3.47Å; Y721-T754 PolarHBondContact OH-OG1 2.98Å; S750-T754 PolarHBondContact O-N 3.13Å; S750-T754 PolarHBondContact O-OG1 3.42Å; S751-T754 WeakPolarHBondContact CA-OG1 3.48Å; T754-T756 VanDerWaalsContact C-N 3.34Å; T754-F773 HydrophobicContact CG2-CE2 4.43Å
755	C	96.1	Very high	85.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.5	-23.2	174.8	-66.5	0	0	0	0	113.3	M560 V562 T725 I729 S751 D753	M560-C755 HydrophobicContact CE-CB 4.45Å; V562-C755 HydrophobicContact CG1-CB 4.21Å; V562-C755 HydrophobicContact CG2-CB 4.01Å; T725-C755 HydrophobicContact CG2-CB 4.36Å; T725-C755 VanDerWaalsContact CG2-SG 3.55Å; I729-C755 HydrophobicContact CD1-CB 3.89Å; I729-C755 HydrophobicContact CG1-CB 4.06Å; S751-C755 WeakPolarHBondContact O-CB 3.24Å; S751-C755 PolarHBondContact O-N 3.25Å; S751-C755 PolarHBondContact O-SG 3.06Å; D753-C755 VanDerWaalsContact C-N 3.33Å; D753-C755 PolarHBondContact O-N 3.08Å
756	T	93.8	Very high	84.1	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-112.4	-23.1	-173	62.8	0	0	0	0	114.3	M560 V562 L752 D753 T754 H758 L759 V760 L786 A788 L796	M560-T756 HydrophobicContact CE-CG2 3.75Å; V562-T756 HydrophobicContact CG2-CG2 4.07Å; L752-T756 WeakPolarHBondContact O-CG2 3.45Å; L752-T756 PolarHBondContact O-OG1 3.1Å; D753-T756 PolarHBondContact O-N 3.41Å; D753-T756 VanDerWaalsContact O-N 3.07Å; D753-T756 PolarHBondContact O-OG1 3.44Å; T754-T756 VanDerWaalsContact C-N 3.34Å; T756-H758 PolarHBondContact O-N 3.34Å; T756-L759 WeakPolarHBondContact O-CA 3.3Å; T756-L759 VanDerWaalsContact O-CB 3.31Å; T756-L759 WeakPolarHBondContact O-CB 3.34Å; T756-L759 PolarHBondContact O-N 3.42Å; T756-V760 PolarHBondContact O-N 2.97Å; T756-L786 HydrophobicContact CG2-CD2 3.64Å; T756-L786 WeakPolarHBondContact OG1-CD2 3.49Å; T756-A788 HydrophobicContact CG2-CB 4.09Å; T756-L796 HydrophobicContact CG2-CD2 4.1Å
757	R	88.6	Confident	82.6	Confident	30 Å²	30	44.5 Å²	44.5	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-48.2	-51.9	-176	175.7	177.9	-73.7	-92.1	-3.3	113.1	D753 L759 V760 C761 L768	D753-R757 WeakPolarHBondContact O-CB 3.41Å; D753-R757 PolarHBondContact O-N 2.66Å; D753-R757 IonicContact OD1-CZ 3.22Å; D753-R757 IonicContact OD1-NE 2.92Å; D753-R757 IonicContact OD1-NH2 2.67Å; D753-R757 PolarHBondContact OD1-NH2 2.89Å; D753-R757 IonicContact OD2-CZ 3.33Å; D753-R757 IonicContact OD2-NE 3.97Å; D753-R757 PolarHBondContact OD2-NE 2.92Å; D753-R757 IonicContact OD2-NH2 3.08Å; D753-R757 PolarHBondContact OD2-NH2 2.93Å; R757-L759 PolarHBondContact O-N 3.25Å; R757-V760 PolarHBondContact O-N 3.44Å; R757-C761 WeakPolarHBondContact O-CB 3.39Å; R757-C761 PolarHBondContact O-N 3.47Å; R757-C761 PolarHBondContact O-SG 3.31Å; R757-L768 VanDerWaalsContact NH2-CD1 3.28Å
758	H	87.9	Confident	81.7	Confident	79 Å²	79	45.1 Å²	45.1	37%	0.366	24%	0.238	S	C	.	.	H	α-helix	trans	-69.8	-18.1	-177.5	87	74.8	0	0	0	113.7	A726 I729 T756	A726-H758 HydrophobicContact CB-CB 4.13Å; A726-H758 VanDerWaalsContact CB-CD2 3.48Å; A726-H758 WeakPolarHBondContact CB-CD2 3.39Å; I729-H758 WeakPolarHBondContact CG2-NE2 3.39Å; T756-H758 PolarHBondContact O-N 3.34Å
759	L	89.5	Confident	81	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-82.3	-39.8	179.6	-62.7	174.8	0	0	0	110.6	M560 I729 L733 T756 R757 W794	M560-L759 HydrophobicContact CE-CD1 3.67Å; I729-L759 HydrophobicContact CG2-CD1 4.08Å; L733-L759 HydrophobicContact CD1-CD1 4.3Å; L733-L759 HydrophobicContact CD1-CD2 3.72Å; T756-L759 WeakPolarHBondContact O-CA 3.3Å; T756-L759 VanDerWaalsContact O-CB 3.31Å; T756-L759 WeakPolarHBondContact O-CB 3.34Å; T756-L759 PolarHBondContact O-N 3.42Å; R757-L759 PolarHBondContact O-N 3.25Å; L759-W794 HydrophobicContact CB-CB 3.66Å; L759-W794 HydrophobicContact CB-CD2 4.39Å; L759-W794 HydrophobicContact CB-CG 3.87Å; L759-W794 HydrophobicContact CD1-CD2 4.07Å; L759-W794 HydrophobicContact CD1-CE3 4.12Å; L759-W794 HydrophobicContact CD1-CG 4.41Å; L759-W794 HydrophobicContact CD2-CD2 4.23Å; L759-W794 HydrophobicContact CD2-CG 4.05Å; L759-W794 HydrophobicContact CG-CD2 4.49Å; L759-W794 HydrophobicContact CG-CG 4.35Å
760	V	86.3	Confident	80.6	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-105.7	-24.8	-169.2	-53.7	0	0	0	0	114.1	T756 R757 H762 W794 L796	T756-V760 PolarHBondContact O-N 2.97Å; R757-V760 PolarHBondContact O-N 3.44Å; V760-H762 PolarHBondContact O-N 3.03Å; V760-W794 HydrophobicContact CG1-CB 4.37Å; V760-L796 HydrophobicContact CB-CG 4.49Å; V760-L796 HydrophobicContact CG1-CD2 3.92Å; V760-L796 HydrophobicContact CG1-CG 3.96Å; V760-L796 HydrophobicContact CG2-CD1 4.35Å; V760-L796 HydrophobicContact CG2-CG 4.27Å
761	C	73.8	Confident	80.1	Confident	57 Å²	57	57.2 Å²	57.2	39%	0.385	31%	0.308	S	S	.	.			trans	-79.1	101.9	177.6	-66.4	0	0	0	0	110.8	R757 G763	R757-C761 WeakPolarHBondContact O-CB 3.39Å; R757-C761 PolarHBondContact O-N 3.47Å; R757-C761 PolarHBondContact O-SG 3.31Å; C761-G763 PolarHBondContact O-N 3.46Å
762	H	63.4	Low	79.6	Confident	99 Å²	99	57.7 Å²	57.7	46%	0.458	31%	0.31	S	S	.	.			trans	-92.6	70.5	176.2	-59.4	-46.7	0	0	0	111.8	V760 R793	V760-H762 PolarHBondContact O-N 3.03Å; H762-R793 WeakPolarHBondContact NE2-CD 3.31Å
763	G	56.1	Low	79.3	Confident	43 Å²	43	57.8 Å²	57.8	44%	0.443	31%	0.311	S	S	.	.	S	Bend	trans	63.9	96.8	164.5	0	0	0	0	0	115.7	C761	C761-G763 PolarHBondContact O-N 3.46Å
764	F	49.6	Very low	79	Confident	218 Å²	218	60.7 Å²	60.7	96%	0.956	32%	0.324	S	S	*	.	S	Bend	trans	-169.7	-19.8	146.1	-90.8	-64.8	0	0	0	111.4
765	R	52.8	Low	78.7	Confident	119 Å²	119	64.4 Å²	64.4	45%	0.449	34%	0.341	S	S	.	.			trans	-137	99.1	169.6	-73.3	-170.4	176.2	-157.7	-1.2	111.6	E772	R765-E772 IonicContact NH1-OE2 3.91Å
766	N	60.5	Low	78.4	Confident	134 Å²	134	65.1 Å²	65.1	72%	0.717	34%	0.344	S	S	*	.			trans	-83.9	-20.5	170	-68	-4.4	0	0	0	112.1	Q719	Q719-N766 PolarHBondContact OE1-O 3.02Å
767	S	68	Low	78.2	Confident	88 Å²	88	66.1 Å²	66.1	62%	0.615	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-95.1	125.6	180	-173.3	0	0	0	0	110.4
768	L	79.2	Confident	78.2	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.073	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-97.9	124.2	171.6	-176	58.9	0	0	0	108.7	I718 R757 E772 F773	I718-L768 HydrophobicContact CG2-CD2 4.29Å; R757-L768 VanDerWaalsContact NH2-CD1 3.28Å; L768-E772 HydrophobicContact CD1-CB 3.7Å; L768-E772 HydrophobicContact CD1-CG 3.52Å; L768-F773 HydrophobicContact CD2-CB 3.64Å; L768-F773 HydrophobicContact CD2-CD2 3.66Å; L768-F773 HydrophobicContact CD2-CG 4.13Å; L768-F773 HydrophobicContact CG-CB 3.93Å
769	S	84.4	Confident	78.3	Confident	58 Å²	58	66.7 Å²	66.7	41%	0.406	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-69.9	154.5	172.9	69.3	0	0	0	0	110.3	D771 E772 F773	S769-D771 VanDerWaalsContact C-N 3.31Å; S769-D771 PolarHBondContact O-N 3.29Å; S769-E772 PolarHBondContact O-N 3.48Å; S769-E772 VanDerWaalsContact OG-CB 3.26Å; S769-E772 WeakPolarHBondContact OG-CB 3.3Å; S769-E772 PolarHBondContact OG-N 3.31Å; S769-F773 PolarHBondContact O-N 3.43Å
770	T	86.2	Confident	78.5	Confident	78 Å²	78	66.1 Å²	66.1	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-53.8	-48.8	175.1	-55.3	0	0	0	0	111.2	I718 E772 F773 H774	I718-T770 HydrophobicContact CD1-CG2 3.9Å; T770-E772 VanDerWaalsContact C-N 3.35Å; T770-E772 PolarHBondContact O-N 3.02Å; T770-F773 WeakPolarHBondContact O-CB 3.36Å; T770-F773 PolarHBondContact O-N 3.25Å; T770-H774 VanDerWaalsContact CG2-CD2 3.48Å; T770-H774 WeakPolarHBondContact CG2-CD2 3.37Å; T770-H774 WeakPolarHBondContact CG2-NE2 3.48Å; T770-H774 PolarHBondContact O-CD2 3.01Å; T770-H774 PolarHBondContact O-N 2.79Å
771	D	85.3	Confident	78.9	Confident	131 Å²	131	65.2 Å²	65.2	70%	0.701	36%	0.356	S	S	*	.	H	α-helix	trans	-60.8	-41.5	179.7	-60	-29.6	0	0	0	112.8	S769 H774 H775	S769-D771 VanDerWaalsContact C-N 3.31Å; S769-D771 PolarHBondContact O-N 3.29Å; D771-H774 PolarHBondContact O-N 3.34Å; D771-H775 WeakPolarHBondContact O-CB 3.25Å; D771-H775 PolarHBondContact O-N 3.44Å
772	E	86.6	Confident	80	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-68.6	-37.3	178.6	-172.9	179.6	178.7	0	0	111.2	R765 L768 S769 T770 H775 R776 A822	R765-E772 IonicContact NH1-OE2 3.91Å; L768-E772 HydrophobicContact CD1-CB 3.7Å; L768-E772 HydrophobicContact CD1-CG 3.52Å; S769-E772 PolarHBondContact O-N 3.48Å; S769-E772 VanDerWaalsContact OG-CB 3.26Å; S769-E772 WeakPolarHBondContact OG-CB 3.3Å; S769-E772 PolarHBondContact OG-N 3.31Å; T770-E772 VanDerWaalsContact C-N 3.35Å; T770-E772 PolarHBondContact O-N 3.02Å; E772-H775 PolarHBondContact O-N 2.96Å; E772-R776 HydrophobicContact CG-CG 4.41Å; E772-R776 WeakPolarHBondContact O-CB 3.36Å; E772-R776 VanDerWaalsContact O-CG 3.27Å; E772-R776 WeakPolarHBondContact O-CG 3.31Å; E772-R776 PolarHBondContact O-N 3.26Å; E772-R776 IonicContact OE1-CZ 3.32Å; E772-R776 IonicContact OE1-NE 2.68Å; E772-R776 PolarHBondContact OE1-NE 2.84Å; E772-R776 VanDerWaalsContact OE1-NE 3.08Å; E772-R776 IonicContact OE1-NH2 2.71Å; E772-R776 PolarHBondContact OE1-NH2 2.66Å; E772-A822 HydrophobicContact CG-CB 4.33Å
773	F	89.7	Confident	81.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-48.7	172.9	176.4	-104.3	0	0	0	112.1	W674 W677 I718 Y721 T754 L768 S769 T770 T777	W674-F773 HydrophobicContact CB-CZ 4.13Å; W674-F773 HydrophobicContact CD2-CE1 4.29Å; W674-F773 AromaticContact CE3-CE1 3.93Å; W674-F773 HydrophobicContact CE3-CE1 3.93Å; W674-F773 HydrophobicContact CG-CZ 4.48Å; W677-F773 HydrophobicContact CH2-CE1 4.39Å; W677-F773 AromaticContact CZ2-CE1 3.74Å; W677-F773 HydrophobicContact CZ2-CE1 3.74Å; W677-F773 HydrophobicContact CZ2-CZ 4.41Å; I718-F773 HydrophobicContact CD1-CB 4.06Å; I718-F773 HydrophobicContact CD1-CD1 3.69Å; I718-F773 HydrophobicContact CD1-CE1 4.41Å; I718-F773 HydrophobicContact CD1-CG 4.02Å; I718-F773 HydrophobicContact CG1-CD1 3.95Å; I718-F773 HydrophobicContact CG1-CE1 4.24Å; I718-F773 HydrophobicContact CG1-CG 4.29Å; I718-F773 HydrophobicContact CG2-CB 3.96Å; I718-F773 HydrophobicContact CG2-CD1 4.21Å; I718-F773 HydrophobicContact CG2-CD2 3.73Å; I718-F773 HydrophobicContact CG2-CE2 4.25Å; I718-F773 HydrophobicContact CG2-CG 3.7Å; Y721-F773 AromaticContact CD1-CE2 3.8Å; Y721-F773 HydrophobicContact CD1-CE2 3.8Å; Y721-F773 AromaticContact CD1-CZ 3.85Å; Y721-F773 HydrophobicContact CD1-CZ 3.85Å; Y721-F773 AromaticContact CE1-CE2 3.77Å; Y721-F773 HydrophobicContact CE1-CE2 3.77Å; Y721-F773 AromaticContact CE1-CZ 3.84Å; Y721-F773 HydrophobicContact CE1-CZ 3.84Å; T754-F773 HydrophobicContact CG2-CE2 4.43Å; L768-F773 HydrophobicContact CD2-CB 3.64Å; L768-F773 HydrophobicContact CD2-CD2 3.66Å; L768-F773 HydrophobicContact CD2-CG 4.13Å; L768-F773 HydrophobicContact CG-CB 3.93Å; S769-F773 PolarHBondContact O-N 3.43Å; T770-F773 WeakPolarHBondContact O-CB 3.36Å; T770-F773 PolarHBondContact O-N 3.25Å; F773-T777 WeakPolarHBondContact O-CB 3.18Å; F773-T777 PolarHBondContact O-N 2.92Å; F773-T777 PolarHBondContact O-OG1 3.47Å
774	H	87.1	Confident	83.5	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.315	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-45	177.1	-73.9	-71.8	0	0	0	111.4	W677 T770 D771 T777 S778	W677-H774 AromaticContact CH2-CE1 3.34Å; W677-H774 WeakPolarHBondContact CH2-CE1 3.5Å; W677-H774 AromaticContact CH2-ND1 3.19Å; W677-H774 WeakPolarHBondContact CH2-ND1 3.44Å; W677-H774 AromaticContact CZ3-CE1 3.41Å; W677-H774 VanDerWaalsContact CZ3-CE1 3.41Å; W677-H774 WeakPolarHBondContact CZ3-CE1 3.24Å; W677-H774 AromaticContact CZ3-ND1 3.62Å; T770-H774 VanDerWaalsContact CG2-CD2 3.48Å; T770-H774 WeakPolarHBondContact CG2-CD2 3.37Å; T770-H774 WeakPolarHBondContact CG2-NE2 3.48Å; T770-H774 PolarHBondContact O-CD2 3.01Å; T770-H774 PolarHBondContact O-N 2.79Å; D771-H774 PolarHBondContact O-N 3.34Å; H774-T777 PolarHBondContact O-N 2.81Å; H774-S778 WeakPolarHBondContact O-CB 3.31Å; H774-S778 PolarHBondContact O-N 3.2Å; H774-S778 PolarHBondContact O-OG 3.26Å
775	H	87.9	Confident	85.7	Confident	82 Å²	82	47 Å²	47	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-52.7	178.6	-178.1	62	0	0	0	111.8	D771 E772 T777 S778 I779	D771-H775 WeakPolarHBondContact O-CB 3.25Å; D771-H775 PolarHBondContact O-N 3.44Å; E772-H775 PolarHBondContact O-N 2.96Å; H775-T777 PolarHBondContact O-N 2.76Å; H775-S778 PolarHBondContact O-N 3.27Å; H775-S778 PolarHBondContact O-OG 2.59Å; H775-I779 PolarHBondContact O-N 3.44Å
776	R	89.4	Confident	87.8	Confident	15 Å²	15	41.4 Å²	41.4	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-34.5	177.5	-73.2	177.8	-176.6	-111.8	-10.3	112.6	D753 E772 I779 V780 L818 G820	D753-R776 IonicContact OD1-CZ 3.79Å; D753-R776 IonicContact OD1-NH1 3.94Å; D753-R776 PolarHBondContact OD1-NH1 3.28Å; E772-R776 HydrophobicContact CG-CG 4.41Å; E772-R776 WeakPolarHBondContact O-CB 3.36Å; E772-R776 VanDerWaalsContact O-CG 3.27Å; E772-R776 WeakPolarHBondContact O-CG 3.31Å; E772-R776 PolarHBondContact O-N 3.26Å; E772-R776 IonicContact OE1-CZ 3.32Å; E772-R776 IonicContact OE1-NE 2.68Å; E772-R776 PolarHBondContact OE1-NE 2.84Å; E772-R776 VanDerWaalsContact OE1-NE 3.08Å; E772-R776 IonicContact OE1-NH2 2.71Å; E772-R776 PolarHBondContact OE1-NH2 2.66Å; R776-I779 WeakPolarHBondContact O-CG1 3.45Å; R776-V780 WeakPolarHBondContact O-CG2 3.39Å; R776-L818 HydrophobicContact CB-CD2 4.16Å; R776-L818 HydrophobicContact CG-CD2 4.21Å; R776-L818 PolarHBondContact NH1-O 3.31Å; R776-G820 PolarHBondContact NH2-O 3.48Å
777	T	90.3	Very high	89.5	Confident	22 Å²	22	35.2 Å²	35.2	14%	0.135	20%	0.202	C	C	.	.	H	α-helix	trans	-71.1	-41.4	176.1	-56.8	0	0	0	0	111.4	W677 A749 S750 F773 H774 H775 I779 V780	W677-T777 HydrophobicContact CZ2-CG2 4.36Å; A749-T777 HydrophobicContact CB-CG2 3.79Å; S750-T777 WeakPolarHBondContact CB-OG1 3.39Å; F773-T777 WeakPolarHBondContact O-CB 3.18Å; F773-T777 PolarHBondContact O-N 2.92Å; F773-T777 PolarHBondContact O-OG1 3.47Å; H774-T777 PolarHBondContact O-N 2.81Å; H775-T777 PolarHBondContact O-N 2.76Å; T777-I779 VanDerWaalsContact C-N 3.33Å; T777-I779 PolarHBondContact O-N 2.91Å; T777-V780 PolarHBondContact O-N 2.94Å
778	S	89	Confident	90.8	Very high	89 Å²	89	31 Å²	31	62%	0.622	17%	0.173	S	C	*	.	H	α-helix	trans	-67.5	-27.3	-175.2	71	0	0	0	0	114.8	H774 H775	H774-S778 WeakPolarHBondContact O-CB 3.31Å; H774-S778 PolarHBondContact O-N 3.2Å; H774-S778 PolarHBondContact O-OG 3.26Å; H775-S778 PolarHBondContact O-N 3.27Å; H775-S778 PolarHBondContact O-OG 2.59Å
779	I	90	Very high	91.6	Very high	32 Å²	32	31.6 Å²	31.6	16%	0.164	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.2	-176.4	60.2	164.2	0	0	0	114	H775 R776 T777 P781 Q817 L818	H775-I779 PolarHBondContact O-N 3.44Å; R776-I779 WeakPolarHBondContact O-CG1 3.45Å; T777-I779 VanDerWaalsContact C-N 3.33Å; T777-I779 PolarHBondContact O-N 2.91Å; I779-P781 VanDerWaalsContact O-CD 3.31Å; I779-P781 WeakPolarHBondContact O-CD 3.17Å; I779-Q817 HydrophobicContact CD1-CB 3.6Å; I779-Q817 HydrophobicContact CD1-CG 4.42Å; I779-Q817 VanDerWaalsContact CD1-OE1 3.31Å; I779-L818 HydrophobicContact CD1-CD2 4.46Å
780	V	93.7	Very high	92	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	17%	0.167	C	C	.	.			trans	-87.7	113	-176.2	179.2	0	0	0	0	109.1	R564 A749 L752 R776 T777 F813	R564-V780 HydrophobicContact CB-CG1 4.12Å; R564-V780 PolarHBondContact NH1-O 3.26Å; A749-V780 HydrophobicContact CB-CB 4.01Å; A749-V780 HydrophobicContact CB-CG1 4.33Å; L752-V780 HydrophobicContact CD1-CG1 4.09Å; L752-V780 HydrophobicContact CD2-CG1 3.7Å; L752-V780 HydrophobicContact CD2-CG2 4.31Å; L752-V780 HydrophobicContact CG-CG1 4.48Å; R776-V780 WeakPolarHBondContact O-CG2 3.39Å; T777-V780 PolarHBondContact O-N 2.94Å; V780-F813 HydrophobicContact CB-CE2 4.35Å; V780-F813 HydrophobicContact CG2-CE2 3.8Å; V780-F813 HydrophobicContact CG2-CZ 4.13Å
781	P	94.8	Very high	92.1	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.039	17%	0.167	C	C	.	.			trans	-74	168.5	177.5	33.1	-36.9	0	0	0	112.2	R564 I779 G784 N810 S811 F813	R564-P781 WeakPolarHBondContact CD-O 3.4Å; I779-P781 VanDerWaalsContact O-CD 3.31Å; I779-P781 WeakPolarHBondContact O-CD 3.17Å; P781-G784 PolarHBondContact O-N 3.31Å; P781-N810 VanDerWaalsContact CB-OD1 3.27Å; P781-N810 WeakPolarHBondContact CB-OD1 3.41Å; P781-S811 WeakPolarHBondContact CB-O 3.33Å; P781-S811 VanDerWaalsContact CG-O 3.25Å; P781-S811 WeakPolarHBondContact CG-O 3.09Å; P781-F813 HydrophobicContact CG-CB 3.63Å; P781-F813 HydrophobicContact CG-CD2 4.5Å; P781-F813 HydrophobicContact CG-CG 4.26Å
782	Y	96.4	Very high	92.1	Very high	20 Å²	20	37.6 Å²	37.6	8%	0.078	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	140.9	171.3	-65.4	-59.7	0	0	0	110.3	H565 A566 E567 R568 G784 N810	H565-Y782 AromaticContact CE1-CE1 3.81Å; H565-Y782 WeakPolarHBondContact O-CD1 3.48Å; A566-Y782 VanDerWaalsContact C-CD1 3.47Å; A566-Y782 VanDerWaalsContact O-CD1 3.25Å; A566-Y782 WeakPolarHBondContact O-CD1 3.38Å; E567-Y782 HydrophobicContact CB-CD2 3.87Å; E567-Y782 HydrophobicContact CB-CE2 4.04Å; E567-Y782 HydrophobicContact CB-CG 4.27Å; E567-Y782 HydrophobicContact CG-CD2 4.21Å; E567-Y782 HydrophobicContact CG-CE2 3.93Å; R568-Y782 HydrophobicContact CG-CE1 4.15Å; Y782-G784 PolarHBondContact O-N 3.15Å; Y782-G784 VanDerWaalsContact O-N 3.1Å; Y782-N810 WeakPolarHBondContact CB-OD1 3.42Å; Y782-N810 PolarHBondContact N-OD1 3.4Å; Y782-N810 PolarHBondContact O-ND2 2.89Å; Y782-N810 PolarHBondContact O-OD1 3.28Å
783	C	96.8	Very high	92.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	12.5	-172.3	-63.3	0	0	0	0	114.9	M563 R564 H565 A566 V621 L785	M563-C783 HydrophobicContact CE-CB 3.35Å; M563-C783 WeakPolarHBondContact CE-SG 3.5Å; R564-C783 WeakPolarHBondContact O-CA 3.25Å; R564-C783 PolarHBondContact O-N 2.9Å; H565-C783 PolarHBondContact O-N 3.5Å; A566-C783 VanDerWaalsContact CB-SG 3.58Å; V621-C783 HydrophobicContact CG1-CB 3.8Å; C783-L785 PolarHBondContact O-N 3.22Å
784	G	95.7	Very high	92.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.207	C	C	.	.			trans	-54	130.8	172	0	0	0	0	0	110.6	M563 R564 P781 Y782	M563-G784 VanDerWaalsContact CA-O 3.31Å; M563-G784 WeakPolarHBondContact CA-O 3.38Å; R564-G784 PolarHBondContact N-O 2.79Å; P781-G784 PolarHBondContact O-N 3.31Å; Y782-G784 PolarHBondContact O-N 3.15Å; Y782-G784 VanDerWaalsContact O-N 3.1Å
785	L	96.4	Very high	92.6	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.6	-168.5	-173.8	67.3	0	0	0	111	Y561 M563 L629 C783 P799 I801	Y561-L785 HydrophobicContact CD1-CD1 4.09Å; Y561-L785 HydrophobicContact CD1-CD2 4.15Å; Y561-L785 HydrophobicContact CD1-CG 4.27Å; M563-L785 HydrophobicContact CB-CD1 3.85Å; M563-L785 HydrophobicContact CG-CD1 4.15Å; L629-L785 HydrophobicContact CD2-CD2 4.15Å; C783-L785 PolarHBondContact O-N 3.22Å; L785-P799 HydrophobicContact CD2-CB 4.03Å; L785-P799 HydrophobicContact CD2-CG 4.47Å; L785-P799 HydrophobicContact CG-CB 4.46Å; L785-P799 HydrophobicContact CG-CG 4.38Å; L785-I801 HydrophobicContact CD2-CD1 3.76Å; L785-I801 HydrophobicContact CD2-CG1 4.13Å
786	L	95.6	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139	176.6	-176.6	69.3	0	0	0	110.5	Y561 V562 L752 T756 L796 W815 L818	Y561-L786 CarbonylContact C-O 3.55Å; Y561-L786 VanDerWaalsContact CA-O 3.31Å; Y561-L786 WeakPolarHBondContact CA-O 3.34Å; V562-L786 PolarHBondContact N-O 3.25Å; V562-L786 PolarHBondContact O-N 2.78Å; L752-L786 HydrophobicContact CB-CB 4.36Å; L752-L786 HydrophobicContact CB-CD2 4.17Å; L752-L786 HydrophobicContact CD2-CB 3.99Å; L752-L786 HydrophobicContact CG-CB 4.03Å; L752-L786 WeakPolarHBondContact O-CD2 2.79Å; T756-L786 HydrophobicContact CG2-CD2 3.64Å; T756-L786 WeakPolarHBondContact OG1-CD2 3.49Å; L786-L796 HydrophobicContact CD1-CB 4.44Å; L786-L796 HydrophobicContact CD1-CD1 4.01Å; L786-L796 HydrophobicContact CD1-CD2 4.06Å; L786-L796 HydrophobicContact CD1-CG 4.37Å; L786-L796 HydrophobicContact CD2-CD1 4.27Å; L786-L796 HydrophobicContact CD2-CD2 3.86Å; L786-L796 HydrophobicContact CG-CD2 4Å; L786-W815 HydrophobicContact CD1-CB 3.66Å; L786-W815 HydrophobicContact CD1-CE3 4.44Å; L786-W815 HydrophobicContact CD1-CG 4.44Å; L786-L818 HydrophobicContact CD2-CD1 4.07Å
787	L	96.6	Very high	93	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.6	176.5	175.4	53.6	0	0	0	111.1	Q559 Y561 L796 I797 P799	Q559-L787 HydrophobicContact CB-CD1 4.07Å; Q559-L787 HydrophobicContact CG-CD1 4.32Å; Y561-L787 HydrophobicContact CD1-CB 4.35Å; Y561-L787 HydrophobicContact CD1-CD1 4.16Å; Y561-L787 HydrophobicContact CD2-CD1 3.67Å; Y561-L787 HydrophobicContact CE1-CB 4.22Å; Y561-L787 HydrophobicContact CE1-CD1 3.95Å; Y561-L787 HydrophobicContact CE1-CD2 3.97Å; Y561-L787 HydrophobicContact CE1-CG 4.27Å; Y561-L787 HydrophobicContact CE2-CD1 3.43Å; Y561-L787 VanDerWaalsContact CE2-CD1 3.43Å; Y561-L787 HydrophobicContact CE2-CD2 4.39Å; Y561-L787 HydrophobicContact CE2-CG 4.48Å; Y561-L787 HydrophobicContact CG-CD1 4.05Å; L787-L796 WeakPolarHBondContact O-CA 3.48Å; L787-I797 HydrophobicContact CB-CG1 4.25Å; L787-I797 HydrophobicContact CD2-CD1 3.65Å; L787-I797 HydrophobicContact CD2-CG1 3.68Å; L787-I797 HydrophobicContact CG-CD1 4Å; L787-I797 HydrophobicContact CG-CG1 3.63Å; L787-I797 PolarHBondContact O-N 2.77Å; L787-P799 HydrophobicContact CB-CG 4.23Å
788	A	95.9	Very high	93.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.2	167.9	0	0	0	0	0	110.4	Q559 M560 T756 W794 N795 L796	Q559-A788 WeakPolarHBondContact CA-O 3.49Å; M560-A788 HydrophobicContact CE-CB 4.38Å; M560-A788 PolarHBondContact N-O 3.16Å; M560-A788 PolarHBondContact O-N 2.85Å; T756-A788 HydrophobicContact CG2-CB 4.09Å; A788-W794 HydrophobicContact CB-CE3 3.96Å; A788-W794 HydrophobicContact CB-CZ3 4.24Å; A788-N795 WeakPolarHBondContact CA-O 3.44Å; A788-L796 HydrophobicContact CB-CD2 3.97Å
789	Q	95.4	Very high	93.4	Very high	26 Å²	26	44 Å²	44	12%	0.121	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.9	-179.6	-176.9	173.8	-56.4	0	0	111.9	S557 Q559 N791 W794 N795 I797	S557-Q789 WeakPolarHBondContact OG-CG 3.43Å; S557-Q789 PolarHBondContact OG-NE2 3Å; Q559-Q789 HydrophobicContact CG-CB 4.34Å; Q559-Q789 HydrophobicContact CG-CG 4.03Å; Q789-N791 PolarHBondContact NE2-OD1 3.3Å; Q789-N791 PolarHBondContact O-N 3.42Å; Q789-W794 WeakPolarHBondContact O-CA 3.35Å; Q789-N795 PolarHBondContact N-O 3.49Å; Q789-N795 PolarHBondContact O-N 3.31Å; Q789-I797 HydrophobicContact CB-CD1 3.87Å; Q789-I797 HydrophobicContact CB-CG1 4.27Å; Q789-I797 HydrophobicContact CG-CD1 4.49Å
790	E	93.7	Very high	93.6	Very high	49 Å²	49	45.5 Å²	45.5	23%	0.229	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	93.2	179.9	-166.4	-176.9	-130.8	0	0	112.7	S557 R558 W794	S557-E790 WeakPolarHBondContact CB-O 3.45Å; R558-E790 HydrophobicContact CB-CB 4.09Å; R558-E790 IonicContact CZ-OE1 3.18Å; R558-E790 IonicContact CZ-OE2 2.79Å; R558-E790 IonicContact NE-OE1 3.66Å; R558-E790 IonicContact NE-OE2 2.82Å; R558-E790 PolarHBondContact NE-OE2 3.21Å; R558-E790 IonicContact NH2-OE1 3.64Å; R558-E790 PolarHBondContact NH2-OE1 3.17Å; R558-E790 IonicContact NH2-OE2 3.93Å; R558-E790 PolarHBondContact NH2-OE2 3.09Å; R558-E790 PolarHBondContact O-N 3.47Å; E790-W794 HydrophobicContact CB-CD2 3.74Å; E790-W794 HydrophobicContact CB-CE3 4.02Å; E790-W794 HydrophobicContact CB-CG 4.33Å; E790-W794 HydrophobicContact CB-CH2 3.92Å; E790-W794 HydrophobicContact CB-CZ2 3.62Å; E790-W794 HydrophobicContact CB-CZ3 4.1Å; E790-W794 HydrophobicContact CG-CD2 4.09Å; E790-W794 HydrophobicContact CG-CG 4.27Å; E790-W794 HydrophobicContact CG-CZ2 4.03Å; E790-W794 PolarHBondContact OE1-NE1 3.16Å
791	N	87.9	Confident	93.6	Very high	91 Å²	91	46.5 Å²	46.5	49%	0.487	22%	0.217	S	C	.	.	S	Bend	trans	-89	-116.3	171.1	-64.4	-40	0	0	0	109.8	S557 Q789 R793	S557-N791 PolarHBondContact OG-OD1 3Å; Q789-N791 PolarHBondContact NE2-OD1 3.3Å; Q789-N791 PolarHBondContact O-N 3.42Å; N791-R793 VanDerWaalsContact C-N 3.32Å; N791-R793 PolarHBondContact N-O 2.85Å; N791-R793 VanDerWaalsContact N-O 3.14Å
792	R	85.9	Confident	93.4	Very high	254 Å²	254	51.5 Å²	51.5	96%	0.958	25%	0.249	S	C	*	.	S	Bend	trans	-73	-30.4	165.3	-67.5	-172	180	-177.6	0.7	112.2
793	R	88.8	Confident	92.8	Very high	153 Å²	153	54.2 Å²	54.2	58%	0.577	27%	0.265	S	S	*	.	S	Bend	trans	-140	160.2	173.2	-64	-172.7	177.7	-177.7	-2	107.3	H762 N791 N795	H762-R793 WeakPolarHBondContact NE2-CD 3.31Å; N791-R793 VanDerWaalsContact C-N 3.32Å; N791-R793 PolarHBondContact N-O 2.85Å; N791-R793 VanDerWaalsContact N-O 3.14Å; R793-N795 PolarHBondContact O-ND2 3.21Å
794	W	92.6	Very high	91.8	Very high	20 Å²	20	54.9 Å²	54.9	8%	0.076	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.3	172	-72.4	86.6	0	0	0	110	R558 M560 L733 L759 V760 A788 Q789 E790	R558-W794 HydrophobicContact CB-CH2 4.03Å; R558-W794 HydrophobicContact CB-CZ2 4.34Å; M560-W794 HydrophobicContact CB-CZ3 4.17Å; L733-W794 HydrophobicContact CD1-CH2 4.38Å; L733-W794 HydrophobicContact CD1-CZ2 3.74Å; L733-W794 HydrophobicContact CD2-CH2 3.69Å; L733-W794 HydrophobicContact CD2-CZ2 3.62Å; L733-W794 HydrophobicContact CG-CZ2 4.32Å; L759-W794 HydrophobicContact CB-CB 3.66Å; L759-W794 HydrophobicContact CB-CD2 4.39Å; L759-W794 HydrophobicContact CB-CG 3.87Å; L759-W794 HydrophobicContact CD1-CD2 4.07Å; L759-W794 HydrophobicContact CD1-CE3 4.12Å; L759-W794 HydrophobicContact CD1-CG 4.41Å; L759-W794 HydrophobicContact CD2-CD2 4.23Å; L759-W794 HydrophobicContact CD2-CG 4.05Å; L759-W794 HydrophobicContact CG-CD2 4.49Å; L759-W794 HydrophobicContact CG-CG 4.35Å; V760-W794 HydrophobicContact CG1-CB 4.37Å; A788-W794 HydrophobicContact CB-CE3 3.96Å; A788-W794 HydrophobicContact CB-CZ3 4.24Å; Q789-W794 WeakPolarHBondContact O-CA 3.35Å; E790-W794 HydrophobicContact CB-CD2 3.74Å; E790-W794 HydrophobicContact CB-CE3 4.02Å; E790-W794 HydrophobicContact CB-CG 4.33Å; E790-W794 HydrophobicContact CB-CH2 3.92Å; E790-W794 HydrophobicContact CB-CZ2 3.62Å; E790-W794 HydrophobicContact CB-CZ3 4.1Å; E790-W794 HydrophobicContact CG-CD2 4.09Å; E790-W794 HydrophobicContact CG-CG 4.27Å; E790-W794 HydrophobicContact CG-CZ2 4.03Å; E790-W794 PolarHBondContact OE1-NE1 3.16Å
795	N	92.2	Very high	90.9	Very high	72 Å²	72	57.2 Å²	57.2	39%	0.385	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.6	174.7	-63.4	-79.1	0	0	0	109.6	A788 Q789 R793	A788-N795 WeakPolarHBondContact CA-O 3.44Å; Q789-N795 PolarHBondContact N-O 3.49Å; Q789-N795 PolarHBondContact O-N 3.31Å; R793-N795 PolarHBondContact O-ND2 3.21Å
796	L	93	Very high	90.1	Very high	13 Å²	13	60 Å²	60	7%	0.068	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135	167.3	-54.9	180	0	0	0	109	T756 V760 L786 L787 A788 W815 L819	T756-L796 HydrophobicContact CG2-CD2 4.1Å; V760-L796 HydrophobicContact CB-CG 4.49Å; V760-L796 HydrophobicContact CG1-CD2 3.92Å; V760-L796 HydrophobicContact CG1-CG 3.96Å; V760-L796 HydrophobicContact CG2-CD1 4.35Å; V760-L796 HydrophobicContact CG2-CG 4.27Å; L786-L796 HydrophobicContact CD1-CB 4.44Å; L786-L796 HydrophobicContact CD1-CD1 4.01Å; L786-L796 HydrophobicContact CD1-CD2 4.06Å; L786-L796 HydrophobicContact CD1-CG 4.37Å; L786-L796 HydrophobicContact CD2-CD1 4.27Å; L786-L796 HydrophobicContact CD2-CD2 3.86Å; L786-L796 HydrophobicContact CG-CD2 4Å; L787-L796 WeakPolarHBondContact O-CA 3.48Å; A788-L796 HydrophobicContact CB-CD2 3.97Å; L796-W815 HydrophobicContact CB-CE3 3.84Å; L796-W815 HydrophobicContact CB-CZ3 3.6Å; L796-L819 HydrophobicContact CB-CD2 4.08Å; L796-L819 HydrophobicContact CD1-CD2 3.77Å; L796-L819 HydrophobicContact CD1-CG 4.23Å; L796-L819 HydrophobicContact CG-CD2 4.09Å
797	I	92.8	Very high	89.4	Confident	50 Å²	50	63.1 Å²	63.1	26%	0.256	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.1	176.3	61.2	167.7	0	0	0	109.9	L787 Q789 P799	L787-I797 HydrophobicContact CB-CG1 4.25Å; L787-I797 HydrophobicContact CD2-CD1 3.65Å; L787-I797 HydrophobicContact CD2-CG1 3.68Å; L787-I797 HydrophobicContact CG-CD1 4Å; L787-I797 HydrophobicContact CG-CG1 3.63Å; L787-I797 PolarHBondContact O-N 2.77Å; Q789-I797 HydrophobicContact CB-CD1 3.87Å; Q789-I797 HydrophobicContact CB-CG1 4.27Å; Q789-I797 HydrophobicContact CG-CD1 4.49Å; I797-P799 WeakPolarHBondContact O-CD 3.3Å
798	N	92.6	Very high	88.3	Confident	104 Å²	104	70.3 Å²	70.3	56%	0.556	36%	0.363	S	S	*	.			trans	-65.5	127.7	177.5	-163.5	44.7	0	0	0	110.5	W815	N798-W815 HydrophobicContact CB-CZ2 4.06Å; N798-W815 PolarHBondContact OD1-NE1 3.43Å
799	P	94.7	Very high	87.1	Confident	11 Å²	11	79 Å²	79	7%	0.071	40%	0.395	C	S	.	.			trans	-55.8	148.3	168.6	-24.5	35	0	0	0	111.3	L785 L787 I797 I801	L785-P799 HydrophobicContact CD2-CB 4.03Å; L785-P799 HydrophobicContact CD2-CG 4.47Å; L785-P799 HydrophobicContact CG-CB 4.46Å; L785-P799 HydrophobicContact CG-CG 4.38Å; L787-P799 HydrophobicContact CB-CG 4.23Å; I797-P799 WeakPolarHBondContact O-CD 3.3Å; P799-I801 HydrophobicContact CB-CG1 4.42Å; P799-I801 PolarHBondContact O-N 3.11Å; P799-I801 VanDerWaalsContact O-N 3.07Å
800	P	94.7	Very high	86.6	Confident	65 Å²	65	77.8 Å²	77.8	42%	0.422	39%	0.39	S	S	.	.	S	Bend	trans	-81.8	21.7	-174.7	36.3	-37.9	0	0	0	113.4	A632 V634	A632-P800 HydrophobicContact CB-CB 4.09Å; A632-P800 HydrophobicContact CB-CG 4.11Å; A632-P800 WeakPolarHBondContact CB-O 3.41Å; V634-P800 HydrophobicContact CG2-CG 3.66Å
801	I	94.3	Very high	86.3	Confident	23 Å²	23	78.9 Å²	78.9	12%	0.118	40%	0.403	C	S	.	.	S	Bend	trans	-131.7	156.6	179.5	61.6	164	0	0	0	109.6	T625 A628 L629 A632 L785 P799	T625-I801 HydrophobicContact CG2-CD1 4.01Å; A628-I801 VanDerWaalsContact C-CG2 3.47Å; A628-I801 HydrophobicContact CB-CB 4.18Å; A628-I801 HydrophobicContact CB-CD1 4.43Å; A628-I801 HydrophobicContact CB-CG2 3.81Å; A628-I801 VanDerWaalsContact O-CG2 3.3Å; A628-I801 WeakPolarHBondContact O-CG2 3.34Å; L629-I801 HydrophobicContact CD2-CD1 4.14Å; L629-I801 HydrophobicContact CD2-CG1 4.38Å; L629-I801 HydrophobicContact CD2-CG2 4.02Å; L629-I801 HydrophobicContact CG-CD1 4.15Å; L629-I801 HydrophobicContact CG-CG2 4.33Å; A632-I801 HydrophobicContact CB-CG2 3.96Å; L785-I801 HydrophobicContact CD2-CD1 3.76Å; L785-I801 HydrophobicContact CD2-CG1 4.13Å; P799-I801 HydrophobicContact CB-CG1 4.42Å; P799-I801 PolarHBondContact O-N 3.11Å; P799-I801 VanDerWaalsContact O-N 3.07Å
802	P	90.3	Very high	86.3	Confident	110 Å²	110	79.3 Å²	79.3	71%	0.714	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-57.6	165.3	166.7	-21.4	33.7	0	0	0	111.9	S804	P802-S804 PolarHBondContact O-N 3.04Å
803	N	83.7	Confident	86.5	Confident	78 Å²	78	67.7 Å²	67.7	42%	0.417	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-53.6	143.3	170.3	-75.4	-14.3	0	0	0	110.5	D812 F813	N803-D812 WeakPolarHBondContact CB-OD1 3.42Å; N803-D812 PolarHBondContact ND2-OD1 3.36Å; N803-F813 PolarHBondContact ND2-N 3.44Å; N803-F813 PolarHBondContact ND2-O 3Å; N803-F813 PolarHBondContact OD1-O 3Å; N803-F813 VanDerWaalsContact OD1-O 3.08Å
804	S	75.5	Confident	86.5	Confident	15 Å²	15	63.2 Å²	63.2	11%	0.105	35%	0.349	C	S	.	.	S	Bend	trans	-53.4	149.1	171.1	52.2	0	0	0	0	110.7	P802 S806	P802-S804 PolarHBondContact O-N 3.04Å; S804-S806 PolarHBondContact O-N 3.11Å
805	C	76.9	Confident	86.4	Confident	49 Å²	49	63.5 Å²	63.5	33%	0.331	35%	0.35	S	S	.	.			trans	-40.1	113.7	-173.9	-60.1	0	0	0	0	113.1	V621 Y807 N810	V621-C805 HydrophobicContact CG1-CB 4.35Å; V621-C805 HydrophobicContact CG2-CB 3.99Å; C805-Y807 HydrophobicContact CB-CD1 4.34Å; C805-Y807 VanDerWaalsContact O-CD1 3.22Å; C805-Y807 WeakPolarHBondContact O-CD1 3.37Å; C805-Y807 WeakPolarHBondContact O-CE1 3.5Å; C805-N810 PolarHBondContact O-ND2 3.1Å
806	S	79.2	Confident	86.2	Confident	74 Å²	74	66 Å²	66	52%	0.517	36%	0.358	S	S	.	.			trans	-82.4	125.5	172.2	59.6	0	0	0	0	109.9	S804 N810	S804-S806 PolarHBondContact O-N 3.11Å; S806-N810 VanDerWaalsContact CA-O 3.3Å; S806-N810 WeakPolarHBondContact CA-O 3.41Å
807	Y	81.5	Confident	85.8	Confident	64 Å²	64	69 Å²	69	25%	0.251	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-148.1	174	174.1	53.9	-85.3	0	0	0	108.7	I617 V621 C805 R809 N810	I617-Y807 HydrophobicContact CG2-CE1 4.12Å; I617-Y807 HydrophobicContact CG2-CE2 4.07Å; V621-Y807 HydrophobicContact CG2-CE1 4Å; C805-Y807 HydrophobicContact CB-CD1 4.34Å; C805-Y807 VanDerWaalsContact O-CD1 3.22Å; C805-Y807 WeakPolarHBondContact O-CD1 3.37Å; C805-Y807 WeakPolarHBondContact O-CE1 3.5Å; Y807-R809 VanDerWaalsContact C-N 3.29Å; Y807-R809 PolarHBondContact O-N 3.06Å; Y807-N810 HydrophobicContact CD1-CB 3.87Å; Y807-N810 HydrophobicContact CD2-CB 4.14Å; Y807-N810 HydrophobicContact CE1-CB 3.54Å; Y807-N810 HydrophobicContact CE2-CB 3.84Å; Y807-N810 HydrophobicContact CG-CB 4.14Å; Y807-N810 PolarHBondContact N-O 2.85Å; Y807-N810 VanDerWaalsContact N-O 3.1Å; Y807-N810 CarbonylContact O-C 3.51Å; Y807-N810 WeakPolarHBondContact O-CA 3.3Å; Y807-N810 PolarHBondContact O-N 3.03Å
808	T	72.2	Confident	85.4	Confident	156 Å²	156	67 Å²	67	96%	0.957	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.8	-48.5	-162.3	-7.1	0	0	0	0	116.1
809	R	70.9	Confident	84.8	Confident	181 Å²	181	66.7 Å²	66.7	68%	0.683	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-10.8	179.5	-68.3	-173	179	-179.8	0.8	114.7	I571 Y807	I571-R809 PolarHBondContact O-NH1 3.27Å; Y807-R809 VanDerWaalsContact C-N 3.29Å; Y807-R809 PolarHBondContact O-N 3.06Å
810	N	85.3	Confident	83.4	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.011	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-107.4	94.6	-178.1	-158.1	50.4	0	0	0	109.8	P781 Y782 C805 S806 Y807	P781-N810 VanDerWaalsContact CB-OD1 3.27Å; P781-N810 WeakPolarHBondContact CB-OD1 3.41Å; Y782-N810 WeakPolarHBondContact CB-OD1 3.42Å; Y782-N810 PolarHBondContact N-OD1 3.4Å; Y782-N810 PolarHBondContact O-ND2 2.89Å; Y782-N810 PolarHBondContact O-OD1 3.28Å; C805-N810 PolarHBondContact O-ND2 3.1Å; S806-N810 VanDerWaalsContact CA-O 3.3Å; S806-N810 WeakPolarHBondContact CA-O 3.41Å; Y807-N810 HydrophobicContact CD1-CB 3.87Å; Y807-N810 HydrophobicContact CD2-CB 4.14Å; Y807-N810 HydrophobicContact CE1-CB 3.54Å; Y807-N810 HydrophobicContact CE2-CB 3.84Å; Y807-N810 HydrophobicContact CG-CB 4.14Å; Y807-N810 PolarHBondContact N-O 2.85Å; Y807-N810 VanDerWaalsContact N-O 3.1Å; Y807-N810 CarbonylContact O-C 3.51Å; Y807-N810 WeakPolarHBondContact O-CA 3.3Å; Y807-N810 PolarHBondContact O-N 3.03Å
811	S	86.5	Confident	81.4	Confident	71 Å²	71	67.3 Å²	67.3	50%	0.497	37%	0.369	S	S	.	.			trans	-72.5	164.3	-177.7	59.7	0	0	0	0	112.7	P781	P781-S811 WeakPolarHBondContact CB-O 3.33Å; P781-S811 VanDerWaalsContact CG-O 3.25Å; P781-S811 WeakPolarHBondContact CG-O 3.09Å
812	D	88.3	Confident	79.2	Confident	101 Å²	101	68 Å²	68	54%	0.54	38%	0.378	S	S	.	.			trans	-61.4	146.8	166.1	-84.4	-45.4	0	0	0	112	N803	N803-D812 WeakPolarHBondContact CB-OD1 3.42Å; N803-D812 PolarHBondContact ND2-OD1 3.36Å
813	F	90.1	Very high	76.8	Confident	10 Å²	10	67 Å²	67	4%	0.044	37%	0.366	C	S	.	.			trans	-106.6	129.2	176.6	-171.7	-133.9	0	0	0	110.8	L752 V780 P781 N803 W815 L818	L752-F813 HydrophobicContact CD2-CE1 3.59Å; L752-F813 HydrophobicContact CD2-CZ 3.64Å; V780-F813 HydrophobicContact CB-CE2 4.35Å; V780-F813 HydrophobicContact CG2-CE2 3.8Å; V780-F813 HydrophobicContact CG2-CZ 4.13Å; P781-F813 HydrophobicContact CG-CB 3.63Å; P781-F813 HydrophobicContact CG-CD2 4.5Å; P781-F813 HydrophobicContact CG-CG 4.26Å; N803-F813 PolarHBondContact ND2-N 3.44Å; N803-F813 PolarHBondContact ND2-O 3Å; N803-F813 PolarHBondContact OD1-O 3Å; N803-F813 VanDerWaalsContact OD1-O 3.08Å; F813-W815 HydrophobicContact CD1-CB 4.44Å; F813-W815 HydrophobicContact CE1-CB 3.9Å; F813-W815 HydrophobicContact CZ-CB 4.36Å; F813-L818 HydrophobicContact CZ-CD1 4.12Å
814	D	89.9	Confident	74.7	Confident	59 Å²	59	68.5 Å²	68.5	32%	0.316	38%	0.382	S	S	.	.			trans	-111.6	102.5	165.6	174.6	15.4	0	0	0	108.9	K816 Q817	D814-K816 PolarHBondContact O-N 3.24Å; D814-K816 VanDerWaalsContact O-N 3.11Å; D814-K816 VanDerWaalsContact OD1-CB 3.29Å; D814-K816 WeakPolarHBondContact OD1-CB 3.44Å; D814-K816 WeakPolarHBondContact OD1-CG 3.43Å; D814-K816 PolarHBondContact OD1-N 3.47Å; D814-Q817 HydrophobicContact CB-CG 4.19Å; D814-Q817 VanDerWaalsContact O-CB 3.31Å; D814-Q817 WeakPolarHBondContact O-CB 3.49Å; D814-Q817 VanDerWaalsContact O-CG 3.3Å; D814-Q817 WeakPolarHBondContact O-CG 2.77Å; D814-Q817 PolarHBondContact O-N 3.39Å
815	W	89.1	Confident	72.9	Confident	26 Å²	26	74.8 Å²	74.8	10%	0.098	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-59.5	-22.7	-178.4	63.8	-93.9	0	0	0	113.5	L786 L796 N798 F813 Q817 L818 L819	L786-W815 HydrophobicContact CD1-CB 3.66Å; L786-W815 HydrophobicContact CD1-CE3 4.44Å; L786-W815 HydrophobicContact CD1-CG 4.44Å; L796-W815 HydrophobicContact CB-CE3 3.84Å; L796-W815 HydrophobicContact CB-CZ3 3.6Å; N798-W815 HydrophobicContact CB-CZ2 4.06Å; N798-W815 PolarHBondContact OD1-NE1 3.43Å; F813-W815 HydrophobicContact CD1-CB 4.44Å; F813-W815 HydrophobicContact CE1-CB 3.9Å; F813-W815 HydrophobicContact CZ-CB 4.36Å; W815-Q817 PolarHBondContact O-N 2.9Å; W815-L818 PolarHBondContact O-N 3.4Å; W815-L818 VanDerWaalsContact O-N 3.1Å; W815-L819 HydrophobicContact CE3-CD1 4.42Å; W815-L819 HydrophobicContact CH2-CD1 4.33Å; W815-L819 HydrophobicContact CZ3-CD1 3.67Å; W815-L819 HydrophobicContact CZ3-CG 4.21Å
816	K	88.2	Confident	70.8	Confident	123 Å²	123	80.6 Å²	80.6	54%	0.535	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-65.8	-20.7	178.1	-62.7	174.9	-177.7	171.7	0	112.1	D814 L818 L819	D814-K816 PolarHBondContact O-N 3.24Å; D814-K816 VanDerWaalsContact O-N 3.11Å; D814-K816 VanDerWaalsContact OD1-CB 3.29Å; D814-K816 WeakPolarHBondContact OD1-CB 3.44Å; D814-K816 WeakPolarHBondContact OD1-CG 3.43Å; D814-K816 PolarHBondContact OD1-N 3.47Å; K816-L818 PolarHBondContact O-N 3.04Å; K816-L818 VanDerWaalsContact O-N 3.12Å; K816-L819 WeakPolarHBondContact O-CB 3.45Å; K816-L819 PolarHBondContact O-N 3.41Å
817	Q	85.4	Confident	68.6	Low	77 Å²	77	85.5 Å²	85.5	36%	0.36	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-59.9	-20.8	173.7	-63.2	-174.7	44.2	0	0	112.4	I779 D814 W815	I779-Q817 HydrophobicContact CD1-CB 3.6Å; I779-Q817 HydrophobicContact CD1-CG 4.42Å; I779-Q817 VanDerWaalsContact CD1-OE1 3.31Å; D814-Q817 HydrophobicContact CB-CG 4.19Å; D814-Q817 VanDerWaalsContact O-CB 3.31Å; D814-Q817 WeakPolarHBondContact O-CB 3.49Å; D814-Q817 VanDerWaalsContact O-CG 3.3Å; D814-Q817 WeakPolarHBondContact O-CG 2.77Å; D814-Q817 PolarHBondContact O-N 3.39Å; W815-Q817 PolarHBondContact O-N 2.9Å
818	L	85	Confident	66.5	Low	8 Å²	8	88.3 Å²	88.3	4%	0.042	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-84.5	-14.9	174.9	-59.7	-177.9	0	0	0	114	L752 D753 R776 I779 L786 F813 W815 K816	L752-L818 HydrophobicContact CB-CD1 3.96Å; D753-L818 HydrophobicContact CB-CD2 4.25Å; R776-L818 HydrophobicContact CB-CD2 4.16Å; R776-L818 HydrophobicContact CG-CD2 4.21Å; R776-L818 PolarHBondContact NH1-O 3.31Å; I779-L818 HydrophobicContact CD1-CD2 4.46Å; L786-L818 HydrophobicContact CD2-CD1 4.07Å; F813-L818 HydrophobicContact CZ-CD1 4.12Å; W815-L818 PolarHBondContact O-N 3.4Å; W815-L818 VanDerWaalsContact O-N 3.1Å; K816-L818 PolarHBondContact O-N 3.04Å; K816-L818 VanDerWaalsContact O-N 3.12Å
819	L	79.9	Confident	64.7	Low	97 Å²	97	95.5 Å²	95.5	51%	0.508	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-34.6	178.3	-72.8	175.5	0	0	0	113.3	L796 W815 K816	L796-L819 HydrophobicContact CB-CD2 4.08Å; L796-L819 HydrophobicContact CD1-CD2 3.77Å; L796-L819 HydrophobicContact CD1-CG 4.23Å; L796-L819 HydrophobicContact CG-CD2 4.09Å; W815-L819 HydrophobicContact CE3-CD1 4.42Å; W815-L819 HydrophobicContact CH2-CD1 4.33Å; W815-L819 HydrophobicContact CZ3-CD1 3.67Å; W815-L819 HydrophobicContact CZ3-CG 4.21Å; K816-L819 WeakPolarHBondContact O-CB 3.45Å; K816-L819 PolarHBondContact O-N 3.41Å
820	G	64.7	Low	64.4	Low	34 Å²	34	91.3 Å²	91.3	35%	0.351	46%	0.463	S	S	.	.	S	Bend	trans	-82.4	146.6	-173.1	0	0	0	0	0	112.7	R776 A822	R776-G820 PolarHBondContact NH2-O 3.48Å; G820-A822 PolarHBondContact O-N 3.19Å
821	P	53.4	Low	63.3	Low	56 Å²	56	95.9 Å²	95.9	36%	0.364	49%	0.487	S	S	.	.			trans	-68.4	121.8	155.9	28.4	-28.5	0	0	0	107.6	L823 I828	P821-L823 VanDerWaalsContact C-N 3.28Å; P821-L823 PolarHBondContact O-N 3.22Å; P821-I828 HydrophobicContact CG-CD1 4.35Å
822	A	47.5	Very low	62	Low	36 Å²	36	97.3 Å²	97.3	30%	0.298	49%	0.487	S	S	.	.			trans	-69	95.1	164.2	0	0	0	0	0	107	E772 G820 C824	E772-A822 HydrophobicContact CG-CB 4.33Å; G820-A822 PolarHBondContact O-N 3.19Å; A822-C824 PolarHBondContact O-N 3.24Å
823	L	38.6	Very low	60.5	Low	90 Å²	90	97.1 Å²	97.1	47%	0.471	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-82.6	94.9	168.1	-117.2	155.3	0	0	0	106.3	P821 N825 F826	P821-L823 VanDerWaalsContact C-N 3.28Å; P821-L823 PolarHBondContact O-N 3.22Å; L823-N825 PolarHBondContact O-N 3.04Å; L823-F826 PolarHBondContact O-N 2.87Å; L823-F826 VanDerWaalsContact O-N 3.16Å
824	C	41	Very low	58.6	Low	110 Å²	110	102.6 Å²	102.6	74%	0.743	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	58.3	171.2	-54.7	0	0	0	0	113.7	A822 F826	A822-C824 PolarHBondContact O-N 3.24Å; C824-F826 PolarHBondContact O-N 3.09Å
825	N	36.7	Very low	56.5	Low	147 Å²	147	105.5 Å²	105.5	79%	0.786	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	13.9	175.2	-64.5	-19.6	0	0	0	118.7	L823	L823-N825 PolarHBondContact O-N 3.04Å
826	F	33	Very low	54.2	Low	170 Å²	170	111.1 Å²	111.1	75%	0.746	56%	0.555	S	S	*	*	B	Isolated β-bridge	trans	-101.1	126	169.7	-75.6	-81.2	0	0	0	113	L823 C824 I828	L823-F826 PolarHBondContact O-N 2.87Å; L823-F826 VanDerWaalsContact O-N 3.16Å; C824-F826 PolarHBondContact O-N 3.09Å; F826-I828 PolarHBondContact O-N 3.1Å
827	K	32.4	Very low	51.6	Low	178 Å²	178	110.2 Å²	110.2	77%	0.774	56%	0.556	S	S	*	*			trans	-63.5	111.8	164.2	-87.1	-174.9	174.7	-178.9	0	108.4	R829	K827-R829 PolarHBondContact O-N 3.31Å
828	I	39.1	Very low	48.8	Very low	122 Å²	122	113 Å²	113	63%	0.626	57%	0.572	S	S	*	*			trans	-72.8	116.1	163.1	-58.7	174.5	0	0	0	106.1	P821 F826	P821-I828 HydrophobicContact CG-CD1 4.35Å; F826-I828 PolarHBondContact O-N 3.1Å
829	R	33.8	Very low	45.5	Very low	308 Å²	308	122.5 Å²	122.5	100%	1.162	62%	0.621	S	S	*	*			trans	-69.4	0	175.7	-84.6	-172.6	177	-178.1	-0.3	111.7	K827	K827-R829 PolarHBondContact O-N 3.31Å

Retrieved 829 of 829 residues in 345 ms (Link to these results)

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