G4VGU1_SCHMA Loading...

Putative tight junction protein

AlphaFold DB , UniProt , Accession G4VGU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,286 aa.

						>G4VGU1_SCHMA|G4VGU1
MIVHPIHYSVTIVRSPTYGLGLGISGIRSSKNAKTKFIVSDVIKNGPAYEKVSKNDELISVNGINLDCLRYSEAIQILRECGDEAELKLISRKEQANYHNLQLAPEKDFIMQQTNFSSLREPQINCDCMQNYRNHCIDSMKYRSDTALWDPNYTYNENRSENYPRLVEIHLKRRNAAESLGVELLSRLTVASVDENSLGEQAGLKSGDRIIRINGINTAHLSLIDTANMLRRQETILLVARNTLMKENEVCDNFGTTPLVNSSSVPANLSSLLTHQLGDEKRQYQASQPRIQSNKSSNEQIRTMHFEQAYQSGYHTYENCGGCQSMCEVHDNNFENPFVKNSNNWIQSQTNTSNICENSIQHNHIQHNVSNIRNNEFLESNQNPKTHKKSNIQARESNDQYCSNFLKEDKEQLLNTFNSPKNRKVTLQTNQGKCDIGLILYGGNTKGVYVSKVIPDSIADQAGVSEGDKLVKLNGTDLKGWTKEEVFLALMASENKMILELLHDPLSYHKMLKSEIPHESFYVRAYFNMNQYVSGSSALMSSVKYSGLFIVRGDIFHVHDTLLDNALGTWLATKAYPNTSSIGLIPNEQRAQRFMSANQFQENAQESFSPPPYERVVQLDKFPFPRPVVIFGPLCELARQRLTQMSSIIPNKLDYSIEEPIKFIIPPISSSFTSNNITNSNNGYSINEENCNNNKPLGLIRLSAITECMKRGYHCLLDIGPTAIERLTLLGIPPIVILINPSSEYQLKVLLKHYWQFNKTSSALFIPSRVSSRTRPTIKEMVTTLWNSVIHLRQYKSHVITDTVPLLNITSKENSFSEIEWLRNLSEVIRHQQNSPVWIGEETEFGQLKINGLIEEEQEGSDDVVTKSDSETPRPANCDKNICSEDEETRHSSRNTKETRPEMNGMVRNEVSSTIPENNKYIPPFRQVPVCHANEVMENTNKDTSYKSKTKDYCNCTCNFDNANPTNQEETKFKEIIEQTDILSMNNSPFSLGTLRLHIESMSIKHPRFDHSFDETKPGFSNIHPINELERNDGQTPTISPTLSLHQLVFDDITSSDFHTNDEQKHLSADLISNVADPQSGISSLPTSPRTILAEKCGEFGSRGGILEIPEHKVCLRIPEGAISEEEGLQKIFIRVYESGNELTVDNLPHENHLSSDKPILVSPMVMCGPRGLTFHKPVELTVPRYPLESESSDESETKLDKHLEKWNLSLLHASAISTSTSTDDDSLPRTSRSNEPTKWHEIPLSAKCQSSVKNETNSQKQKHNTNQGILSVIKDSHISILIDHF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	66.6	Low	227 Å²	227	100.9 Å²	100.9	100%	1.118	53%	0.532	S	S	*	.				0	137.9	0	-70.2	163.5	69.3	0	0	107.9	V3	M1-V3 PolarHBondContact O-N 3.49Å; M1-V3 VanDerWaalsContact O-N 3.16Å
2	I	33.9	Very low	68.6	Low	153 Å²	153	92.5 Å²	92.5	79%	0.785	49%	0.487	S	S	*	.			trans	-84	86	175	-56.1	175.9	0	0	0	107.4	H4	I2-H4 PolarHBondContact O-N 3Å; I2-H4 PolarHBondContact O-ND1 3.4Å
3	V	39.5	Very low	70.3	Confident	83 Å²	83	91.2 Å²	91.2	50%	0.503	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-70.4	118.1	175.7	-175.8	0	0	0	0	107.8	M1 E94	M1-V3 PolarHBondContact O-N 3.49Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-E94 HydrophobicContact CG1-CB 4.49Å; V3-E94 WeakPolarHBondContact CG1-OE2 3.31Å
4	H	42.5	Very low	71.7	Confident	142 Å²	142	89.9 Å²	89.9	66%	0.657	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-79.9	142.3	179.6	-70.6	43.6	0	0	0	109.5	I2 I6	I2-H4 PolarHBondContact O-N 3Å; I2-H4 PolarHBondContact O-ND1 3.4Å; H4-I6 PolarHBondContact O-N 3.07Å
5	P	59	Low	72.7	Confident	79 Å²	79	85.7 Å²	85.7	51%	0.513	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-62	130.8	176.9	25.2	-32.9	0	0	0	110.7	H7 I90	P5-H7 PolarHBondContact O-CD2 3.47Å; P5-H7 PolarHBondContact O-N 3.08Å; P5-I90 HydrophobicContact CB-CG1 4.38Å; P5-I90 HydrophobicContact CB-CG2 3.61Å
6	I	76.7	Confident	73.3	Confident	87 Å²	87	89 Å²	89	45%	0.446	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.6	178.8	-59.3	173.3	0	0	0	108.4	H4 I90 S91	H4-I6 PolarHBondContact O-N 3.07Å; I6-I90 WeakPolarHBondContact O-CA 3.47Å; I6-S91 PolarHBondContact O-N 3.48Å
7	H	85.4	Confident	73.7	Confident	120 Å²	120	90 Å²	90	56%	0.556	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	139	173	-67.8	-112.3	0	0	0	110.6	P5 I59 L89	P5-H7 PolarHBondContact O-CD2 3.47Å; P5-H7 PolarHBondContact O-N 3.08Å; H7-I59 WeakPolarHBondContact ND1-CD1 3.48Å; H7-L89 CarbonylContact C-O 3.59Å; H7-L89 VanDerWaalsContact CA-O 3.3Å; H7-L89 WeakPolarHBondContact CA-O 3.37Å
8	Y	91.3	Very high	74.4	Confident	58 Å²	58	90.8 Å²	90.8	23%	0.227	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.7	173.8	73.6	-87.2	0	0	0	111.8	V10 D56 K88 L89	Y8-V10 HydrophobicContact CE2-CG1 4.31Å; Y8-D56 PolarHBondContact OH-OD2 3.2Å; Y8-K88 WeakPolarHBondContact O-CA 3.39Å; Y8-L89 HydrophobicContact CD1-CB 4.17Å; Y8-L89 HydrophobicContact CD2-CD1 4.42Å; Y8-L89 HydrophobicContact CE1-CB 3.71Å; Y8-L89 HydrophobicContact CE2-CB 4.31Å; Y8-L89 HydrophobicContact CE2-CD1 3.82Å; Y8-L89 PolarHBondContact N-O 3.37Å; Y8-L89 PolarHBondContact O-N 2.7Å
9	S	89	Confident	75.1	Confident	68 Å²	68	87.6 Å²	87.6	48%	0.476	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.7	173	-69.3	0	0	0	0	110.7	L87	S9-L87 CarbonylContact C-O 3.46Å; S9-L87 VanDerWaalsContact CA-O 3.26Å; S9-L87 WeakPolarHBondContact CA-O 3.4Å
10	V	92	Very high	75.9	Confident	22 Å²	22	84 Å²	84	13%	0.133	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	137.8	170.7	67.5	0	0	0	0	112.8	Y8 I12 K51 V52 L87 L89	Y8-V10 HydrophobicContact CE2-CG1 4.31Å; V10-I12 HydrophobicContact CG1-CD1 4.49Å; V10-I12 HydrophobicContact CG1-CG1 4.48Å; V10-K51 HydrophobicContact CG2-CB 3.8Å; V10-K51 HydrophobicContact CG2-CD 3.84Å; V10-K51 HydrophobicContact CG2-CG 3.93Å; V10-V52 HydrophobicContact CG1-CG2 3.64Å; V10-L87 HydrophobicContact CG1-CB 4.25Å; V10-L87 PolarHBondContact N-O 3.39Å; V10-L87 PolarHBondContact O-N 2.68Å; V10-L89 HydrophobicContact CG1-CD1 3.87Å
11	T	91.5	Very high	76.6	Confident	71 Å²	71	80 Å²	80	44%	0.436	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.4	176.8	-45.8	0	0	0	0	111.1	K51 A85	T11-K51 PolarHBondContact O-NZ 2.99Å; T11-A85 WeakPolarHBondContact CA-O 3.36Å
12	I	91	Very high	79.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.4	-176.9	-59	-176.9	0	0	0	109	V10 L20 L22 P47 A48 K51 V52 A85 L87	V10-I12 HydrophobicContact CG1-CD1 4.49Å; V10-I12 HydrophobicContact CG1-CG1 4.48Å; I12-L20 HydrophobicContact CG2-CB 4.37Å; I12-L20 HydrophobicContact CG2-CD2 4.03Å; I12-L22 HydrophobicContact CD1-CD2 3.8Å; I12-P47 HydrophobicContact CG2-CB 3.46Å; I12-P47 VanDerWaalsContact CG2-CB 3.46Å; I12-A48 HydrophobicContact CD1-CB 3.79Å; I12-K51 HydrophobicContact CG1-CD 4.34Å; I12-V52 HydrophobicContact CD1-CG2 3.9Å; I12-A85 PolarHBondContact N-O 3.26Å; I12-A85 PolarHBondContact O-N 2.8Å; I12-L87 HydrophobicContact CD1-CD1 3.56Å; I12-L87 HydrophobicContact CD1-CG 4.37Å; I12-L87 HydrophobicContact CG1-CD1 4.44Å
13	V	90.1	Very high	82.1	Confident	75 Å²	75	64.5 Å²	64.5	46%	0.455	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.1	174.8	-173.3	0	0	0	0	108.6	S15 P47 D83 E84	V13-S15 PolarHBondContact O-N 2.81Å; V13-P47 WeakPolarHBondContact O-CB 3.4Å; V13-P47 VanDerWaalsContact O-CG 3.23Å; V13-P47 WeakPolarHBondContact O-CG 3.41Å; V13-D83 CarbonylContact C-O 3.54Å; V13-D83 WeakPolarHBondContact CA-O 3.32Å; V13-E84 HydrophobicContact CG2-CG 4.3Å
14	R	89.5	Confident	84.5	Confident	74 Å²	74	61 Å²	61	28%	0.279	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-67.9	124.1	-178.1	-177.9	173.7	-77.4	179.8	-4.3	110.6	L20 L78 R79 C81 G82 D83	R14-L20 HydrophobicContact CB-CD2 4.14Å; R14-L78 PolarHBondContact NH2-O 3.08Å; R14-R79 PolarHBondContact NH1-O 3.42Å; R14-R79 PolarHBondContact NH2-O 3.31Å; R14-C81 PolarHBondContact NH2-SG 2.78Å; R14-G82 VanDerWaalsContact CZ-O 3.23Å; R14-G82 PolarHBondContact NE-O 3.37Å; R14-G82 PolarHBondContact NH1-O 3.22Å; R14-D83 PolarHBondContact N-O 3.39Å
15	S	86.6	Confident	86.6	Confident	26 Å²	26	56.7 Å²	56.7	18%	0.182	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-85.6	138	170.9	173.2	0	0	0	0	110.6	V13 T17 Y18 G19	V13-S15 PolarHBondContact O-N 2.81Å; S15-T17 PolarHBondContact O-N 2.8Å; S15-T17 PolarHBondContact OG-N 3.11Å; S15-T17 VanDerWaalsContact OG-N 3.11Å; S15-T17 PolarHBondContact OG-OG1 3.49Å; S15-Y18 PolarHBondContact O-N 3.04Å; S15-Y18 PolarHBondContact OG-N 2.98Å; S15-G19 PolarHBondContact N-O 2.97Å; S15-G19 VanDerWaalsContact O-CA 3.28Å; S15-G19 WeakPolarHBondContact O-CA 3.21Å; S15-G19 PolarHBondContact O-N 2.94Å
16	P	82.3	Confident	87.7	Confident	139 Å²	139	54.6 Å²	54.6	90%	0.903	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.8	169	-24.8	34.4	0	0	0	113.8
17	T	81.3	Confident	87.7	Confident	106 Å²	106	54.9 Å²	54.9	65%	0.65	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-29.1	-176.2	56.9	0	0	0	0	114.4	S15	S15-T17 PolarHBondContact O-N 2.8Å; S15-T17 PolarHBondContact OG-N 3.11Å; S15-T17 VanDerWaalsContact OG-N 3.11Å; S15-T17 PolarHBondContact OG-OG1 3.49Å
18	Y	84.7	Confident	87	Confident	105 Å²	105	57.2 Å²	57.2	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	0.2	-171.7	-57.9	-57.5	0	0	0	113.8	S15 L20 G21 I43	S15-Y18 PolarHBondContact O-N 3.04Å; S15-Y18 PolarHBondContact OG-N 2.98Å; Y18-L20 PolarHBondContact O-N 3.11Å; Y18-G21 WeakPolarHBondContact O-CA 3.28Å; Y18-G21 PolarHBondContact O-N 3.38Å; Y18-I43 HydrophobicContact CD1-CG2 3.96Å; Y18-I43 HydrophobicContact CE1-CG2 4.41Å; Y18-I43 HydrophobicContact CG-CG2 4.49Å
19	G	88.6	Confident	85.5	Confident	30 Å²	30	57 Å²	57	31%	0.309	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	56.8	-133.9	-167.7	0	0	0	0	0	110.4	S15 G21 P47	S15-G19 PolarHBondContact N-O 2.97Å; S15-G19 VanDerWaalsContact O-CA 3.28Å; S15-G19 WeakPolarHBondContact O-CA 3.21Å; S15-G19 PolarHBondContact O-N 2.94Å; G19-G21 VanDerWaalsContact C-N 3.27Å; G19-G21 PolarHBondContact O-N 3.42Å; G19-P47 WeakPolarHBondContact O-CG 3.25Å
20	L	90.7	Very high	83.5	Confident	14 Å²	14	60 Å²	60	7%	0.073	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.9	172.2	-61.9	174.6	0	0	0	113.3	I12 R14 Y18 L22 A48 L78 A85	I12-L20 HydrophobicContact CG2-CB 4.37Å; I12-L20 HydrophobicContact CG2-CD2 4.03Å; R14-L20 HydrophobicContact CB-CD2 4.14Å; Y18-L20 PolarHBondContact O-N 3.11Å; L20-L22 HydrophobicContact CB-CD2 3.66Å; L20-L22 HydrophobicContact CB-CG 3.86Å; L20-L22 HydrophobicContact CD1-CD2 4.4Å; L20-L22 PolarHBondContact O-N 2.9Å; L20-A48 VanDerWaalsContact O-CB 3.3Å; L20-A48 WeakPolarHBondContact O-CB 3.4Å; L20-A48 PolarHBondContact O-N 3.04Å; L20-A48 VanDerWaalsContact O-N 3.12Å; L20-L78 HydrophobicContact CD1-CD2 3.95Å; L20-A85 HydrophobicContact CD1-CB 4.19Å; L20-A85 HydrophobicContact CD2-CB 3.85Å
21	G	90.5	Very high	81.5	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.01	39%	0.386	C	S	.	.	S	Bend	trans	74.9	15.9	179.5	0	0	0	0	0	115.6	Y18 G19 I43	Y18-G21 WeakPolarHBondContact O-CA 3.28Å; Y18-G21 PolarHBondContact O-N 3.38Å; G19-G21 VanDerWaalsContact C-N 3.27Å; G19-G21 PolarHBondContact O-N 3.42Å; G21-I43 PolarHBondContact O-N 2.97Å
22	L	91.2	Very high	79.7	Confident	31 Å²	31	70 Å²	70	16%	0.162	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138	-174.5	57	97.3	0	0	0	112.2	I12 L20 I24 A48 L87	I12-L22 HydrophobicContact CD1-CD2 3.8Å; L20-L22 HydrophobicContact CB-CD2 3.66Å; L20-L22 HydrophobicContact CB-CG 3.86Å; L20-L22 HydrophobicContact CD1-CD2 4.4Å; L20-L22 PolarHBondContact O-N 2.9Å; L22-I24 HydrophobicContact CD1-CD1 3.87Å; L22-I24 HydrophobicContact CD1-CG1 3.66Å; L22-A48 HydrophobicContact CB-CB 3.8Å; L22-A48 HydrophobicContact CD2-CB 4.02Å; L22-A48 HydrophobicContact CG-CB 4.45Å; L22-L87 HydrophobicContact CD2-CD1 3.63Å
23	G	89.9	Confident	78.1	Confident	23 Å²	23	74 Å²	74	24%	0.237	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.3	169.8	0	0	0	0	0	110.5	V39 S40 D41	G23-V39 CarbonylContact O-C 3.53Å; G23-V39 WeakPolarHBondContact O-CA 3.35Å; G23-S40 PolarHBondContact O-N 3.35Å; G23-S40 PolarHBondContact O-OG 3.31Å; G23-D41 PolarHBondContact N-O 3.01Å; G23-D41 PolarHBondContact O-N 3.28Å
24	I	90.8	Very high	77	Confident	11 Å²	11	74.5 Å²	74.5	6%	0.056	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.2	178.5	-60.5	-60.6	0	0	0	109.4	L22 F37 I38 V39 L58 Y71 I75 L78	L22-I24 HydrophobicContact CD1-CD1 3.87Å; L22-I24 HydrophobicContact CD1-CG1 3.66Å; I24-F37 HydrophobicContact CG2-CB 3.87Å; I24-F37 HydrophobicContact CG2-CD1 4.03Å; I24-F37 HydrophobicContact CG2-CG 4.38Å; I24-I38 CarbonylContact C-O 3.4Å; I24-I38 WeakPolarHBondContact CA-O 3.22Å; I24-V39 HydrophobicContact CD1-CB 4.47Å; I24-V39 HydrophobicContact CD1-CG2 3.86Å; I24-L58 HydrophobicContact CD1-CB 4.44Å; I24-L58 HydrophobicContact CD1-CD2 3.97Å; I24-L58 HydrophobicContact CG1-CD2 4.32Å; I24-Y71 HydrophobicContact CG2-CE2 4.45Å; I24-Y71 WeakPolarHBondContact O-CE2 3.27Å; I24-Y71 PolarHBondContact O-OH 2.89Å; I24-Y71 VanDerWaalsContact O-OH 3.05Å; I24-I75 HydrophobicContact CB-CD1 4.41Å; I24-L78 HydrophobicContact CG1-CD1 3.88Å
25	S	85.6	Confident	76.4	Confident	51 Å²	51	72.1 Å²	72.1	36%	0.357	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.2	169.5	-64.5	0	0	0	0	110.4	I38 S40	S25-I38 PolarHBondContact N-O 3.01Å; S25-I38 PolarHBondContact O-N 3.01Å; S25-S40 WeakPolarHBondContact OG-CB 3.25Å; S25-S40 PolarHBondContact OG-OG 2.9Å; S25-S40 VanDerWaalsContact OG-OG 3.12Å
26	G	83.5	Confident	76.3	Confident	34 Å²	34	75 Å²	75	35%	0.351	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.5	173.8	0	0	0	0	0	111.3
27	I	76.9	Confident	76.6	Confident	94 Å²	94	68.5 Å²	68.5	48%	0.482	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.4	175.1	-53.1	-168.7	0	0	0	108.9	K36 I38	I27-K36 PolarHBondContact N-O 3.11Å; I27-K36 PolarHBondContact O-N 2.98Å; I27-I38 HydrophobicContact CD1-CD1 3.69Å; I27-I38 HydrophobicContact CD1-CG1 4.21Å; I27-I38 HydrophobicContact CG1-CD1 4.4Å; I27-I38 HydrophobicContact CG1-CG1 4.48Å
28	R	71	Confident	77.1	Confident	168 Å²	168	64.3 Å²	64.3	63%	0.634	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	127.3	175.3	-162.8	176.4	-170.3	-173.1	1.5	109.9
29	S	58.8	Low	77.4	Confident	55 Å²	55	59.4 Å²	59.4	39%	0.385	34%	0.338	S	S	.	.			trans	-78.7	132.3	176.3	-177.8	0	0	0	0	111.1	K31 N32 K34	S29-K31 PolarHBondContact O-N 2.96Å; S29-N32 WeakPolarHBondContact CB-O 3.25Å; S29-K34 PolarHBondContact N-O 3.44Å
30	S	48.1	Very low	77.5	Confident	129 Å²	129	59.8 Å²	59.8	90%	0.902	34%	0.336	S	S	*	.	S	Bend	trans	-67.1	-12.8	178	179.4	0	0	0	0	114.3
31	K	49.3	Very low	77.5	Confident	193 Å²	193	63.4 Å²	63.4	84%	0.839	36%	0.356	S	S	*	.	S	Bend	trans	-104.2	-33.2	-175.9	-65.6	-170.9	177.2	-173.5	0	113.7	S29	S29-K31 PolarHBondContact O-N 2.96Å
32	N	53.2	Low	77.5	Confident	110 Å²	110	64.5 Å²	64.5	59%	0.588	36%	0.362	S	S	*	.	S	Bend	trans	-131	130.9	179.9	-59.1	-1.1	0	0	0	106.6	S29 K34	S29-N32 WeakPolarHBondContact CB-O 3.25Å; N32-K34 PolarHBondContact O-N 3.29Å
33	A	58.4	Low	77.4	Confident	85 Å²	85	66.3 Å²	66.3	70%	0.702	37%	0.371	S	S	*	.	S	Bend	trans	-63.7	7.5	-172.9	0	0	0	0	0	116.2
34	K	67.2	Low	77.1	Confident	85 Å²	85	72.3 Å²	72.3	37%	0.37	39%	0.39	S	S	.	.			trans	-70.6	133.8	176.3	-64.8	-167.4	162.5	-149.4	0	112.1	S29 N32 D67	S29-K34 PolarHBondContact N-O 3.44Å; N32-K34 PolarHBondContact O-N 3.29Å; K34-D67 IonicContact NZ-OD1 3Å; K34-D67 PolarHBondContact NZ-OD1 3.16Å; K34-D67 IonicContact NZ-OD2 4Å
35	T	75.4	Confident	76.9	Confident	24 Å²	24	77.3 Å²	77.3	15%	0.147	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.3	163.3	-43.7	0	0	0	0	109.2	F37 L69	T35-F37 HydrophobicContact CG2-CD1 4.35Å; T35-F37 HydrophobicContact CG2-CE1 3.64Å; T35-F37 HydrophobicContact CG2-CE2 4.38Å; T35-F37 HydrophobicContact CG2-CZ 3.67Å; T35-L69 WeakPolarHBondContact CB-O 3.33Å; T35-L69 PolarHBondContact OG1-O 3.08Å
36	K	84.7	Confident	77	Confident	87 Å²	87	75.1 Å²	75.1	38%	0.378	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.5	167.5	-73.8	176.4	160.9	-77.2	0	109.1	I27 E57	I27-K36 PolarHBondContact N-O 3.11Å; I27-K36 PolarHBondContact O-N 2.98Å; K36-E57 WeakPolarHBondContact CG-OE1 3.15Å; K36-E57 IonicContact NZ-OE1 3.83Å; K36-E57 PolarHBondContact NZ-OE1 3.37Å; K36-E57 IonicContact NZ-OE2 2.87Å; K36-E57 PolarHBondContact NZ-OE2 3.16Å
37	F	89.6	Confident	77.4	Confident	3 Å²	3	75 Å²	75	1%	0.013	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.8	178.6	-62.3	-68.3	0	0	0	109.9	I24 T35 E57 L58 L66 L69 Y71 A74	I24-F37 HydrophobicContact CG2-CB 3.87Å; I24-F37 HydrophobicContact CG2-CD1 4.03Å; I24-F37 HydrophobicContact CG2-CG 4.38Å; T35-F37 HydrophobicContact CG2-CD1 4.35Å; T35-F37 HydrophobicContact CG2-CE1 3.64Å; T35-F37 HydrophobicContact CG2-CE2 4.38Å; T35-F37 HydrophobicContact CG2-CZ 3.67Å; F37-E57 CarbonylContact O-C 3.59Å; F37-E57 VanDerWaalsContact O-CA 3.31Å; F37-E57 WeakPolarHBondContact O-CA 3.41Å; F37-E57 WeakPolarHBondContact O-CG 3.4Å; F37-L58 HydrophobicContact CB-CB 4.22Å; F37-L58 PolarHBondContact O-N 2.87Å; F37-L66 HydrophobicContact CB-CD1 4.44Å; F37-L66 HydrophobicContact CD2-CB 3.61Å; F37-L66 HydrophobicContact CD2-CD1 3.86Å; F37-L66 HydrophobicContact CD2-CG 4.4Å; F37-L66 HydrophobicContact CE2-CB 3.81Å; F37-L66 WeakPolarHBondContact CE2-O 3.37Å; F37-L66 HydrophobicContact CG-CD1 4.26Å; F37-L69 HydrophobicContact CE2-CB 4.45Å; F37-Y71 HydrophobicContact CD1-CD2 4.28Å; F37-Y71 HydrophobicContact CE1-CD2 4.02Å; F37-A74 HydrophobicContact CD1-CB 4.03Å; F37-A74 HydrophobicContact CD2-CB 4.17Å; F37-A74 HydrophobicContact CE1-CB 3.61Å; F37-A74 HydrophobicContact CE2-CB 3.74Å; F37-A74 HydrophobicContact CG-CB 4.3Å; F37-A74 HydrophobicContact CZ-CB 3.44Å; F37-A74 VanDerWaalsContact CZ-CB 3.44Å
38	I	90.4	Very high	78.1	Confident	17 Å²	17	70.5 Å²	70.5	9%	0.087	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.4	-177.9	-56.9	-163	0	0	0	109.6	I24 S25 I27 S40 D56	I24-I38 CarbonylContact C-O 3.4Å; I24-I38 WeakPolarHBondContact CA-O 3.22Å; S25-I38 PolarHBondContact N-O 3.01Å; S25-I38 PolarHBondContact O-N 3.01Å; I27-I38 HydrophobicContact CD1-CD1 3.69Å; I27-I38 HydrophobicContact CD1-CG1 4.21Å; I27-I38 HydrophobicContact CG1-CD1 4.4Å; I27-I38 HydrophobicContact CG1-CG1 4.48Å; I38-S40 PolarHBondContact O-N 3.05Å; I38-S40 VanDerWaalsContact O-N 3.14Å; I38-D56 WeakPolarHBondContact CA-O 3.39Å
39	V	91.7	Very high	79	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	108.8	173.5	-178.5	0	0	0	0	109.1	G23 I24 V42 V52 S53 K54 N55 D56 L89	G23-V39 CarbonylContact O-C 3.53Å; G23-V39 WeakPolarHBondContact O-CA 3.35Å; I24-V39 HydrophobicContact CD1-CB 4.47Å; I24-V39 HydrophobicContact CD1-CG2 3.86Å; V39-V42 HydrophobicContact CG1-CG2 3.62Å; V39-V52 HydrophobicContact CB-CG1 4.33Å; V39-V52 HydrophobicContact CG1-CG1 4.02Å; V39-V52 HydrophobicContact CG2-CG1 3.6Å; V39-S53 WeakPolarHBondContact CB-O 3.44Å; V39-K54 WeakPolarHBondContact O-CA 3.42Å; V39-N55 PolarHBondContact O-N 2.99Å; V39-D56 HydrophobicContact CG2-CB 4.44Å; V39-D56 PolarHBondContact N-O 3.47Å; V39-L89 HydrophobicContact CG2-CD2 3.92Å
40	S	89.9	Confident	80.3	Confident	38 Å²	38	72.3 Å²	72.3	27%	0.266	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-28.5	-176.9	52.9	0	0	0	0	112.9	G23 S25 I38 K54	G23-S40 PolarHBondContact O-N 3.35Å; G23-S40 PolarHBondContact O-OG 3.31Å; S25-S40 WeakPolarHBondContact OG-CB 3.25Å; S25-S40 PolarHBondContact OG-OG 2.9Å; S25-S40 VanDerWaalsContact OG-OG 3.12Å; I38-S40 PolarHBondContact O-N 3.05Å; I38-S40 VanDerWaalsContact O-N 3.14Å; S40-K54 WeakPolarHBondContact O-CD 3.28Å; S40-K54 WeakPolarHBondContact O-CE 3.3Å; S40-K54 PolarHBondContact O-NZ 3.32Å
41	D	90.7	Very high	82.3	Confident	91 Å²	91	70.7 Å²	70.7	49%	0.487	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.8	173.8	-161.4	22.4	0	0	0	112.1	G23	G23-D41 PolarHBondContact N-O 3.01Å; G23-D41 PolarHBondContact O-N 3.28Å
42	V	91.4	Very high	84.2	Confident	24 Å²	24	61.7 Å²	61.7	15%	0.145	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	114	175.8	-177.2	0	0	0	0	108	V39 K44 A48 Y49	V39-V42 HydrophobicContact CG1-CG2 3.62Å; V42-K44 PolarHBondContact O-N 3.3Å; V42-A48 HydrophobicContact CG1-CB 4.03Å; V42-Y49 HydrophobicContact CG1-CD2 4.38Å
43	I	88.2	Confident	85.9	Confident	69 Å²	69	57.7 Å²	57.7	35%	0.354	30%	0.298	S	S	.	.			trans	-63.5	122.6	-174.8	-60.3	-177.9	0	0	0	109	Y18 G21 N45 G46	Y18-I43 HydrophobicContact CD1-CG2 3.96Å; Y18-I43 HydrophobicContact CE1-CG2 4.41Å; Y18-I43 HydrophobicContact CG-CG2 4.49Å; G21-I43 PolarHBondContact O-N 2.97Å; I43-N45 PolarHBondContact O-N 3.28Å; I43-G46 WeakPolarHBondContact O-CA 3.4Å; I43-G46 PolarHBondContact O-N 3.25Å
44	K	85.6	Confident	87.2	Confident	148 Å²	148	59.5 Å²	59.5	64%	0.643	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	129.4	176.1	-171.7	176.4	-177.8	-178.4	0	110.2	V42 G46 Y49	V42-K44 PolarHBondContact O-N 3.3Å; K44-G46 PolarHBondContact O-N 3.27Å; K44-Y49 HydrophobicContact CB-CE2 4.26Å; K44-Y49 HydrophobicContact CG-CE2 4.02Å
45	N	86.1	Confident	88.1	Confident	116 Å²	116	60.1 Å²	60.1	62%	0.62	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	7.1	-172.3	-47.4	-16.7	0	0	0	115.3	I43	I43-N45 PolarHBondContact O-N 3.28Å
46	G	88.1	Confident	88.9	Confident	6 Å²	6	59 Å²	59	6%	0.062	29%	0.291	C	S	.	.	S	Bend	trans	-80.3	165.1	171.3	0	0	0	0	0	112.4	I43 K44 A48 Y49	I43-G46 WeakPolarHBondContact O-CA 3.4Å; I43-G46 PolarHBondContact O-N 3.25Å; K44-G46 PolarHBondContact O-N 3.27Å; G46-A48 PolarHBondContact O-N 3.17Å; G46-A48 VanDerWaalsContact O-N 3.1Å; G46-Y49 WeakPolarHBondContact O-CB 3.27Å; G46-Y49 PolarHBondContact O-N 2.93Å
47	P	90.3	Very high	89.2	Confident	31 Å²	31	56 Å²	56	20%	0.201	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.6	-174.9	-30.7	39.2	0	0	0	117.2	I12 V13 G19	I12-P47 HydrophobicContact CG2-CB 3.46Å; I12-P47 VanDerWaalsContact CG2-CB 3.46Å; V13-P47 WeakPolarHBondContact O-CB 3.4Å; V13-P47 VanDerWaalsContact O-CG 3.23Å; V13-P47 WeakPolarHBondContact O-CG 3.41Å; G19-P47 WeakPolarHBondContact O-CG 3.25Å
48	A	91.5	Very high	89.3	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11	172.9	0	0	0	0	0	114.6	I12 L20 L22 V42 G46 K51 V52	I12-A48 HydrophobicContact CD1-CB 3.79Å; L20-A48 VanDerWaalsContact O-CB 3.3Å; L20-A48 WeakPolarHBondContact O-CB 3.4Å; L20-A48 PolarHBondContact O-N 3.04Å; L20-A48 VanDerWaalsContact O-N 3.12Å; L22-A48 HydrophobicContact CB-CB 3.8Å; L22-A48 HydrophobicContact CD2-CB 4.02Å; L22-A48 HydrophobicContact CG-CB 4.45Å; V42-A48 HydrophobicContact CG1-CB 4.03Å; G46-A48 PolarHBondContact O-N 3.17Å; G46-A48 VanDerWaalsContact O-N 3.1Å; A48-K51 PolarHBondContact O-N 2.85Å; A48-V52 HydrophobicContact CB-CB 4.39Å; A48-V52 PolarHBondContact O-N 3.48Å
49	Y	90.6	Very high	89.4	Confident	89 Å²	89	56.9 Å²	56.9	35%	0.349	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	138.9	179.4	-165.7	-114	0	0	0	110.4	V42 K44 G46 K51	V42-Y49 HydrophobicContact CG1-CD2 4.38Å; K44-Y49 HydrophobicContact CB-CE2 4.26Å; K44-Y49 HydrophobicContact CG-CE2 4.02Å; G46-Y49 WeakPolarHBondContact O-CB 3.27Å; G46-Y49 PolarHBondContact O-N 2.93Å; Y49-K51 PolarHBondContact O-N 2.61Å
50	E	86	Confident	89.4	Confident	171 Å²	171	57.2 Å²	57.2	80%	0.799	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-18.5	-173.3	-61.4	176.3	175.6	0	0	116.4
51	K	89.4	Confident	89.5	Confident	95 Å²	95	55.4 Å²	55.4	41%	0.413	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-35.9	178.8	-80.2	-175.4	178.8	-175.9	0	114.5	V10 T11 I12 A48 Y49	V10-K51 HydrophobicContact CG2-CB 3.8Å; V10-K51 HydrophobicContact CG2-CD 3.84Å; V10-K51 HydrophobicContact CG2-CG 3.93Å; T11-K51 PolarHBondContact O-NZ 2.99Å; I12-K51 HydrophobicContact CG1-CD 4.34Å; A48-K51 PolarHBondContact O-N 2.85Å; Y49-K51 PolarHBondContact O-N 2.61Å
52	V	90.3	Very high	89.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	27%	0.266	C	S	.	.	S	Bend	trans	-127.8	151.3	-178.3	176.7	0	0	0	0	108.5	V10 I12 V39 A48 L87 L89	V10-V52 HydrophobicContact CG1-CG2 3.64Å; I12-V52 HydrophobicContact CD1-CG2 3.9Å; V39-V52 HydrophobicContact CB-CG1 4.33Å; V39-V52 HydrophobicContact CG1-CG1 4.02Å; V39-V52 HydrophobicContact CG2-CG1 3.6Å; A48-V52 HydrophobicContact CB-CB 4.39Å; A48-V52 PolarHBondContact O-N 3.48Å; V52-L87 HydrophobicContact CG2-CD1 4.45Å; V52-L89 HydrophobicContact CG1-CD2 3.75Å; V52-L89 HydrophobicContact CG2-CD1 4.31Å
53	S	87.8	Confident	89.3	Confident	27 Å²	27	55.6 Å²	55.6	19%	0.189	29%	0.286	C	S	.	.			trans	-124.2	149.8	178.8	-62.7	0	0	0	0	113.7	V39 D56 K93	V39-S53 WeakPolarHBondContact CB-O 3.44Å; S53-D56 WeakPolarHBondContact CB-OD2 3.37Å; S53-D56 PolarHBondContact N-OD2 3.48Å; S53-D56 VanDerWaalsContact N-OD2 3.17Å; S53-D56 WeakPolarHBondContact O-CB 3.46Å; S53-D56 VanDerWaalsContact O-CG 3.31Å; S53-D56 PolarHBondContact O-N 3.06Å; S53-D56 VanDerWaalsContact O-N 3.15Å; S53-K93 WeakPolarHBondContact OG-CE 3.47Å; S53-K93 PolarHBondContact OG-NZ 3.47Å
54	K	87.3	Confident	89.2	Confident	122 Å²	122	56.5 Å²	56.5	53%	0.53	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.9	171.8	-175.8	167.2	-178.6	136.5	0	110.4	V39 S40 D56	V39-K54 WeakPolarHBondContact O-CA 3.42Å; S40-K54 WeakPolarHBondContact O-CD 3.28Å; S40-K54 WeakPolarHBondContact O-CE 3.3Å; S40-K54 PolarHBondContact O-NZ 3.32Å; K54-D56 VanDerWaalsContact C-N 3.34Å
55	N	85.9	Confident	89.3	Confident	98 Å²	98	53.5 Å²	53.5	52%	0.524	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	2	-172.9	-50.7	-38.5	0	0	0	116.8	V39 R92	V39-N55 PolarHBondContact O-N 2.99Å; N55-R92 WeakPolarHBondContact O-CD 3.09Å; N55-R92 WeakPolarHBondContact O-CG 3.31Å
56	D	91.1	Very high	89.3	Confident	2 Å²	2	48 Å²	48	1%	0.011	25%	0.252	C	S	.	.			trans	-71.5	144.2	168.9	-64.2	-20.4	0	0	0	110.3	Y8 I38 V39 S53 K54 L89 I90 S91 R92	Y8-D56 PolarHBondContact OH-OD2 3.2Å; I38-D56 WeakPolarHBondContact CA-O 3.39Å; V39-D56 HydrophobicContact CG2-CB 4.44Å; V39-D56 PolarHBondContact N-O 3.47Å; S53-D56 WeakPolarHBondContact CB-OD2 3.37Å; S53-D56 PolarHBondContact N-OD2 3.48Å; S53-D56 VanDerWaalsContact N-OD2 3.17Å; S53-D56 WeakPolarHBondContact O-CB 3.46Å; S53-D56 VanDerWaalsContact O-CG 3.31Å; S53-D56 PolarHBondContact O-N 3.06Å; S53-D56 VanDerWaalsContact O-N 3.15Å; K54-D56 VanDerWaalsContact C-N 3.34Å; D56-L89 HydrophobicContact CB-CD2 3.93Å; D56-I90 WeakPolarHBondContact CA-O 3.33Å; D56-S91 WeakPolarHBondContact OD1-CA 3.41Å; D56-R92 PolarHBondContact OD1-N 3.01Å
57	E	91.1	Very high	88.8	Confident	22 Å²	22	51.4 Å²	51.4	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.5	-176.6	-174.2	178.2	148.6	0	0	110.1	K36 F37 L89 I90 R92	K36-E57 WeakPolarHBondContact CG-OE1 3.15Å; K36-E57 IonicContact NZ-OE1 3.83Å; K36-E57 PolarHBondContact NZ-OE1 3.37Å; K36-E57 IonicContact NZ-OE2 2.87Å; K36-E57 PolarHBondContact NZ-OE2 3.16Å; F37-E57 CarbonylContact O-C 3.59Å; F37-E57 VanDerWaalsContact O-CA 3.31Å; F37-E57 WeakPolarHBondContact O-CA 3.41Å; F37-E57 WeakPolarHBondContact O-CG 3.4Å; E57-L89 CarbonylContact O-C 3.4Å; E57-L89 WeakPolarHBondContact O-CA 3.3Å; E57-I90 HydrophobicContact CB-CB 4.31Å; E57-I90 PolarHBondContact N-O 3.2Å; E57-I90 PolarHBondContact O-N 3.1Å; E57-R92 IonicContact OE2-CZ 2.72Å; E57-R92 IonicContact OE2-NE 3.79Å; E57-R92 IonicContact OE2-NH2 2.9Å; E57-R92 PolarHBondContact OE2-NH2 3.09Å
58	L	92.6	Very high	87.9	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.6	179.2	-178.9	67.5	0	0	0	110.3	I24 F37 V61 L66 L78 L87 L89	I24-L58 HydrophobicContact CD1-CB 4.44Å; I24-L58 HydrophobicContact CD1-CD2 3.97Å; I24-L58 HydrophobicContact CG1-CD2 4.32Å; F37-L58 HydrophobicContact CB-CB 4.22Å; F37-L58 PolarHBondContact O-N 2.87Å; L58-V61 HydrophobicContact CD1-CG2 4.39Å; L58-V61 HydrophobicContact CD2-CG2 4.02Å; L58-V61 HydrophobicContact CG-CG2 4.45Å; L58-L66 HydrophobicContact CD2-CD1 3.65Å; L58-L66 HydrophobicContact CG-CD1 3.73Å; L58-L78 HydrophobicContact CD2-CD1 4.02Å; L58-L78 HydrophobicContact CD2-CD2 4.32Å; L58-L87 HydrophobicContact CD1-CB 3.82Å; L58-L87 HydrophobicContact CD1-CD1 4.36Å; L58-L87 HydrophobicContact CD1-CD2 4.1Å; L58-L87 HydrophobicContact CD1-CG 4.32Å; L58-L89 HydrophobicContact CD1-CD2 4.37Å; L58-L89 HydrophobicContact CD1-CG 4.06Å
59	I	91	Very high	87.4	Confident	35 Å²	35	56.3 Å²	56.3	18%	0.179	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-45.5	-174.9	-44	169.5	0	0	0	111.3	H7 N65 L66 K88 I90	H7-I59 WeakPolarHBondContact ND1-CD1 3.48Å; I59-N65 PolarHBondContact O-OD1 2.97Å; I59-N65 VanDerWaalsContact O-OD1 3.1Å; I59-L66 WeakPolarHBondContact O-CB 3.48Å; I59-L66 PolarHBondContact O-N 3.27Å; I59-K88 PolarHBondContact N-O 3.1Å; I59-I90 HydrophobicContact CD1-CD1 3.78Å; I59-I90 HydrophobicContact CD1-CG1 3.66Å; I59-I90 HydrophobicContact CG1-CD1 4.12Å; I59-I90 HydrophobicContact CG1-CG1 4.26Å
60	S	92.3	Very high	86.9	Confident	9 Å²	9	58.4 Å²	58.4	6%	0.063	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.4	-176.8	69.1	0	0	0	0	112.5	I64 K88	S60-I64 CarbonylContact C-O 3.58Å; S60-I64 WeakPolarHBondContact CA-O 3.37Å; S60-I64 WeakPolarHBondContact CB-O 3.48Å; S60-K88 PolarHBondContact N-O 3.33Å; S60-K88 PolarHBondContact O-N 2.92Å; S60-K88 VanDerWaalsContact OG-CB 3.3Å; S60-K88 WeakPolarHBondContact OG-CB 3.25Å; S60-K88 WeakPolarHBondContact OG-CD 3.24Å; S60-K88 VanDerWaalsContact OG-CG 3.28Å; S60-K88 WeakPolarHBondContact OG-CG 3.27Å
61	V	92.6	Very high	86.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.9	176.9	-177.7	0	0	0	0	108.2	L58 G63 I64 L66 I77 L78 C81 E86 L87	L58-V61 HydrophobicContact CD1-CG2 4.39Å; L58-V61 HydrophobicContact CD2-CG2 4.02Å; L58-V61 HydrophobicContact CG-CG2 4.45Å; V61-G63 PolarHBondContact O-N 2.83Å; V61-G63 VanDerWaalsContact O-N 3.17Å; V61-I64 PolarHBondContact N-O 2.95Å; V61-I64 WeakPolarHBondContact O-CB 3.3Å; V61-I64 PolarHBondContact O-N 3.47Å; V61-L66 HydrophobicContact CG2-CD1 4.11Å; V61-L66 HydrophobicContact CG2-CD2 4.31Å; V61-L66 HydrophobicContact CG2-CG 4.45Å; V61-I77 HydrophobicContact CB-CG2 3.81Å; V61-I77 HydrophobicContact CG1-CG2 4.06Å; V61-I77 HydrophobicContact CG2-CG2 4.44Å; V61-L78 HydrophobicContact CG1-CD2 4.06Å; V61-L78 HydrophobicContact CG2-CD2 3.66Å; V61-L78 HydrophobicContact CG2-CG 4.05Å; V61-C81 HydrophobicContact CG1-CB 3.9Å; V61-E86 CarbonylContact C-O 3.56Å; V61-E86 WeakPolarHBondContact CA-O 3.34Å; V61-L87 HydrophobicContact CB-CD2 4.33Å; V61-L87 HydrophobicContact CG1-CD2 4Å; V61-L87 HydrophobicContact CG2-CD2 3.88Å
62	N	91	Very high	86.6	Confident	66 Å²	66	54.5 Å²	54.5	35%	0.353	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	41.5	-177.6	-64.8	5.6	0	0	0	112.8	I64 C81 E84 A85 E86	N62-I64 PolarHBondContact O-N 3.24Å; N62-C81 PolarHBondContact ND2-O 3.42Å; N62-E84 PolarHBondContact ND2-O 2.64Å; N62-A85 VanDerWaalsContact OD1-CA 3.29Å; N62-A85 WeakPolarHBondContact OD1-CA 3.41Å; N62-E86 PolarHBondContact N-O 2.9Å; N62-E86 PolarHBondContact OD1-N 2.87Å
63	G	85.8	Confident	86.3	Confident	54 Å²	54	57.3 Å²	57.3	56%	0.557	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-16	-176.1	0	0	0	0	0	115.8	V61 N65	V61-G63 PolarHBondContact O-N 2.83Å; V61-G63 VanDerWaalsContact O-N 3.17Å; G63-N65 PolarHBondContact O-N 3.44Å
64	I	87.2	Confident	86.3	Confident	88 Å²	88	56 Å²	56	45%	0.451	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	113.5	177	-53.1	174.6	0	0	0	109	S60 V61 N62 I77	S60-I64 CarbonylContact C-O 3.58Å; S60-I64 WeakPolarHBondContact CA-O 3.37Å; S60-I64 WeakPolarHBondContact CB-O 3.48Å; V61-I64 PolarHBondContact N-O 2.95Å; V61-I64 WeakPolarHBondContact O-CB 3.3Å; V61-I64 PolarHBondContact O-N 3.47Å; N62-I64 PolarHBondContact O-N 3.24Å; I64-I77 HydrophobicContact CB-CG2 4.45Å; I64-I77 HydrophobicContact CD1-CG2 4.12Å; I64-I77 HydrophobicContact CG2-CD1 3.79Å
65	N	87.9	Confident	86.4	Confident	84 Å²	84	52 Å²	52	45%	0.449	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.7	176.7	-168.5	-1.6	0	0	0	110.3	I59 G63 D67	I59-N65 PolarHBondContact O-OD1 2.97Å; I59-N65 VanDerWaalsContact O-OD1 3.1Å; G63-N65 PolarHBondContact O-N 3.44Å; N65-D67 WeakPolarHBondContact OD1-CB 3.41Å; N65-D67 PolarHBondContact OD1-N 3.45Å
66	L	85.8	Confident	86.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.269	C	S	.	.			trans	-89.8	-8.1	178.3	-53.8	-176.2	0	0	0	113	F37 L58 I59 V61 C68 L69 A74 I77	F37-L66 HydrophobicContact CB-CD1 4.44Å; F37-L66 HydrophobicContact CD2-CB 3.61Å; F37-L66 HydrophobicContact CD2-CD1 3.86Å; F37-L66 HydrophobicContact CD2-CG 4.4Å; F37-L66 HydrophobicContact CE2-CB 3.81Å; F37-L66 WeakPolarHBondContact CE2-O 3.37Å; F37-L66 HydrophobicContact CG-CD1 4.26Å; L58-L66 HydrophobicContact CD2-CD1 3.65Å; L58-L66 HydrophobicContact CG-CD1 3.73Å; I59-L66 WeakPolarHBondContact O-CB 3.48Å; I59-L66 PolarHBondContact O-N 3.27Å; V61-L66 HydrophobicContact CG2-CD1 4.11Å; V61-L66 HydrophobicContact CG2-CD2 4.31Å; V61-L66 HydrophobicContact CG2-CG 4.45Å; L66-C68 PolarHBondContact O-N 3.23Å; L66-L69 HydrophobicContact CD2-CD1 3.9Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.94Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L66-A74 HydrophobicContact CD1-CB 4.3Å; L66-A74 HydrophobicContact CD2-CB 4.18Å; L66-I77 HydrophobicContact CD2-CD1 3.95Å; L66-I77 HydrophobicContact CD2-CG2 4.45Å
67	D	77.7	Confident	86.3	Confident	77 Å²	77	51.2 Å²	51.2	41%	0.412	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	131.3	173	-113.8	-39.7	0	0	0	110.6	K34 N65 L69	K34-D67 IonicContact NZ-OD1 3Å; K34-D67 PolarHBondContact NZ-OD1 3.16Å; K34-D67 IonicContact NZ-OD2 4Å; N65-D67 WeakPolarHBondContact OD1-CB 3.41Å; N65-D67 PolarHBondContact OD1-N 3.45Å; D67-L69 PolarHBondContact O-N 3.07Å
68	C	70.9	Confident	86.2	Confident	91 Å²	91	50.8 Å²	50.8	62%	0.615	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	0.5	-177.7	-56.2	0	0	0	0	117.3	L66	L66-C68 PolarHBondContact O-N 3.23Å
69	L	80.8	Confident	86	Confident	42 Å²	42	58.2 Å²	58.2	22%	0.22	30%	0.301	C	S	.	.			trans	-75.6	155.3	173.8	-60.3	-172.9	0	0	0	113.1	T35 F37 L66 D67 E73 I77	T35-L69 WeakPolarHBondContact CB-O 3.33Å; T35-L69 PolarHBondContact OG1-O 3.08Å; F37-L69 HydrophobicContact CE2-CB 4.45Å; L66-L69 HydrophobicContact CD2-CD1 3.9Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.94Å; L66-L69 VanDerWaalsContact O-N 3.07Å; D67-L69 PolarHBondContact O-N 3.07Å; L69-E73 HydrophobicContact CB-CB 4.21Å; L69-E73 HydrophobicContact CD1-CB 4.49Å; L69-I77 HydrophobicContact CD1-CD1 3.31Å
70	R	80.8	Confident	85.8	Confident	133 Å²	133	60.7 Å²	60.7	50%	0.502	31%	0.312	S	S	.	.			trans	-76.6	159.2	166.9	-62.6	-176.4	-71	171.7	-1.9	110.4	S72 E73 A74	R70-S72 VanDerWaalsContact C-N 3.29Å; R70-S72 PolarHBondContact O-N 3.32Å; R70-E73 HydrophobicContact CB-CG 4.39Å; R70-E73 WeakPolarHBondContact CB-OE2 3.13Å; R70-E73 IonicContact CZ-OE1 2.75Å; R70-E73 PolarHBondContact N-OE2 2.96Å; R70-E73 IonicContact NE-OE1 3.3Å; R70-E73 PolarHBondContact NE-OE1 3.41Å; R70-E73 IonicContact NE-OE2 2.89Å; R70-E73 IonicContact NH2-OE1 3.63Å; R70-E73 PolarHBondContact NH2-OE1 3.31Å; R70-E73 PolarHBondContact O-N 3.18Å; R70-E73 VanDerWaalsContact O-N 3.17Å; R70-A74 PolarHBondContact O-N 2.65Å
71	Y	83	Confident	85.4	Confident	111 Å²	111	61 Å²	61	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-36.8	178.4	-179.7	-102.2	0	0	0	113.1	I24 F37 I75	I24-Y71 HydrophobicContact CG2-CE2 4.45Å; I24-Y71 WeakPolarHBondContact O-CE2 3.27Å; I24-Y71 PolarHBondContact O-OH 2.89Å; I24-Y71 VanDerWaalsContact O-OH 3.05Å; F37-Y71 HydrophobicContact CD1-CD2 4.28Å; F37-Y71 HydrophobicContact CE1-CD2 4.02Å; Y71-I75 HydrophobicContact CD1-CG1 4.21Å; Y71-I75 HydrophobicContact CD2-CG1 4.22Å; Y71-I75 HydrophobicContact CE1-CG1 3.84Å; Y71-I75 HydrophobicContact CE2-CD1 3.97Å; Y71-I75 HydrophobicContact CE2-CG1 3.83Å; Y71-I75 HydrophobicContact CG-CG1 4.39Å; Y71-I75 WeakPolarHBondContact O-CB 3.44Å; Y71-I75 VanDerWaalsContact O-CG1 3.22Å; Y71-I75 WeakPolarHBondContact O-CG1 3.42Å; Y71-I75 PolarHBondContact O-N 2.99Å
72	S	85.4	Confident	85	Confident	73 Å²	73	62.7 Å²	62.7	51%	0.51	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-46.1	172.6	45.9	0	0	0	0	112.6	R70 I75 Q76	R70-S72 VanDerWaalsContact C-N 3.29Å; R70-S72 PolarHBondContact O-N 3.32Å; S72-I75 PolarHBondContact O-N 3.09Å; S72-Q76 VanDerWaalsContact O-CB 3.32Å; S72-Q76 WeakPolarHBondContact O-CB 3.47Å; S72-Q76 PolarHBondContact O-N 3.02Å
73	E	85.1	Confident	84.8	Confident	63 Å²	63	65.3 Å²	65.3	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-45.9	-179.8	-69.8	153.9	-177.3	0	0	111.5	L69 R70 I75 Q76 I77	L69-E73 HydrophobicContact CB-CB 4.21Å; L69-E73 HydrophobicContact CD1-CB 4.49Å; R70-E73 HydrophobicContact CB-CG 4.39Å; R70-E73 WeakPolarHBondContact CB-OE2 3.13Å; R70-E73 IonicContact CZ-OE1 2.75Å; R70-E73 PolarHBondContact N-OE2 2.96Å; R70-E73 IonicContact NE-OE1 3.3Å; R70-E73 PolarHBondContact NE-OE1 3.41Å; R70-E73 IonicContact NE-OE2 2.89Å; R70-E73 IonicContact NH2-OE1 3.63Å; R70-E73 PolarHBondContact NH2-OE1 3.31Å; R70-E73 PolarHBondContact O-N 3.18Å; R70-E73 VanDerWaalsContact O-N 3.17Å; E73-I75 PolarHBondContact O-N 2.99Å; E73-Q76 PolarHBondContact O-N 2.8Å; E73-I77 WeakPolarHBondContact O-CG1 3.31Å; E73-I77 PolarHBondContact O-N 3.22Å
74	A	86	Confident	84.8	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-39.2	176.7	0	0	0	0	0	113.1	F37 L66 R70 Q76 L78	F37-A74 HydrophobicContact CD1-CB 4.03Å; F37-A74 HydrophobicContact CD2-CB 4.17Å; F37-A74 HydrophobicContact CE1-CB 3.61Å; F37-A74 HydrophobicContact CE2-CB 3.74Å; F37-A74 HydrophobicContact CG-CB 4.3Å; F37-A74 HydrophobicContact CZ-CB 3.44Å; F37-A74 VanDerWaalsContact CZ-CB 3.44Å; L66-A74 HydrophobicContact CD1-CB 4.3Å; L66-A74 HydrophobicContact CD2-CB 4.18Å; R70-A74 PolarHBondContact O-N 2.65Å; A74-Q76 VanDerWaalsContact C-N 3.34Å; A74-L78 WeakPolarHBondContact O-CG 3.27Å; A74-L78 PolarHBondContact O-N 2.71Å; A74-L78 VanDerWaalsContact O-N 3.09Å
75	I	89.4	Confident	84.9	Confident	37 Å²	37	64.4 Å²	64.4	19%	0.19	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-34.7	173.9	-68.8	-65.5	0	0	0	111.3	I24 Y71 S72 E73 L78 R79	I24-I75 HydrophobicContact CB-CD1 4.41Å; Y71-I75 HydrophobicContact CD1-CG1 4.21Å; Y71-I75 HydrophobicContact CD2-CG1 4.22Å; Y71-I75 HydrophobicContact CE1-CG1 3.84Å; Y71-I75 HydrophobicContact CE2-CD1 3.97Å; Y71-I75 HydrophobicContact CE2-CG1 3.83Å; Y71-I75 HydrophobicContact CG-CG1 4.39Å; Y71-I75 WeakPolarHBondContact O-CB 3.44Å; Y71-I75 VanDerWaalsContact O-CG1 3.22Å; Y71-I75 WeakPolarHBondContact O-CG1 3.42Å; Y71-I75 PolarHBondContact O-N 2.99Å; S72-I75 PolarHBondContact O-N 3.09Å; E73-I75 PolarHBondContact O-N 2.99Å; I75-L78 HydrophobicContact CD1-CD1 4.46Å; I75-L78 PolarHBondContact O-N 3.22Å; I75-R79 VanDerWaalsContact O-CG 3.32Å; I75-R79 WeakPolarHBondContact O-CG 3.27Å; I75-R79 PolarHBondContact O-N 2.98Å
76	Q	87.5	Confident	85.2	Confident	56 Å²	56	63.8 Å²	63.8	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-69.8	-41.1	177.5	-166.9	61.4	14.8	0	0	111.6	S72 E73 A74 L78 R79 E80 T1038	S72-Q76 VanDerWaalsContact O-CB 3.32Å; S72-Q76 WeakPolarHBondContact O-CB 3.47Å; S72-Q76 PolarHBondContact O-N 3.02Å; E73-Q76 PolarHBondContact O-N 2.8Å; A74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-L78 VanDerWaalsContact C-N 3.32Å; Q76-L78 PolarHBondContact O-N 3.27Å; Q76-R79 CarbonylContact O-C 3.6Å; Q76-R79 WeakPolarHBondContact O-CA 3.25Å; Q76-R79 WeakPolarHBondContact O-CB 3.07Å; Q76-R79 PolarHBondContact O-N 3.45Å; Q76-E80 HydrophobicContact CG-CG 4.4Å; Q76-E80 PolarHBondContact NE2-OE1 2.88Å; Q76-E80 WeakPolarHBondContact O-CB 3.42Å; Q76-E80 WeakPolarHBondContact O-CG 3.48Å; Q76-E80 PolarHBondContact O-N 3.39Å; Q76-T1038 HydrophobicContact CB-CG2 4.35Å; Q76-T1038 HydrophobicContact CG-CG2 3.44Å; Q76-T1038 VanDerWaalsContact CG-CG2 3.44Å
77	I	89.5	Confident	85.5	Confident	27 Å²	27	63.8 Å²	63.8	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-43.6	169.9	-68.7	159.3	0	0	0	111.1	V61 I64 L66 L69 E73 R79 E80 C81	V61-I77 HydrophobicContact CB-CG2 3.81Å; V61-I77 HydrophobicContact CG1-CG2 4.06Å; V61-I77 HydrophobicContact CG2-CG2 4.44Å; I64-I77 HydrophobicContact CB-CG2 4.45Å; I64-I77 HydrophobicContact CD1-CG2 4.12Å; I64-I77 HydrophobicContact CG2-CD1 3.79Å; L66-I77 HydrophobicContact CD2-CD1 3.95Å; L66-I77 HydrophobicContact CD2-CG2 4.45Å; L69-I77 HydrophobicContact CD1-CD1 3.31Å; E73-I77 WeakPolarHBondContact O-CG1 3.31Å; E73-I77 PolarHBondContact O-N 3.22Å; I77-R79 PolarHBondContact O-N 3.12Å; I77-E80 PolarHBondContact O-N 3.32Å; I77-C81 VanDerWaalsContact O-CB 3.31Å; I77-C81 WeakPolarHBondContact O-CB 3.45Å; I77-C81 PolarHBondContact O-N 3.4Å
78	L	88.8	Confident	86.2	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-15.7	175.2	-77.2	166	0	0	0	114.3	R14 L20 I24 L58 V61 A74 I75 Q76 C81 L87	R14-L78 PolarHBondContact NH2-O 3.08Å; L20-L78 HydrophobicContact CD1-CD2 3.95Å; I24-L78 HydrophobicContact CG1-CD1 3.88Å; L58-L78 HydrophobicContact CD2-CD1 4.02Å; L58-L78 HydrophobicContact CD2-CD2 4.32Å; V61-L78 HydrophobicContact CG1-CD2 4.06Å; V61-L78 HydrophobicContact CG2-CD2 3.66Å; V61-L78 HydrophobicContact CG2-CG 4.05Å; A74-L78 WeakPolarHBondContact O-CG 3.27Å; A74-L78 PolarHBondContact O-N 2.71Å; A74-L78 VanDerWaalsContact O-N 3.09Å; I75-L78 HydrophobicContact CD1-CD1 4.46Å; I75-L78 PolarHBondContact O-N 3.22Å; Q76-L78 VanDerWaalsContact C-N 3.32Å; Q76-L78 PolarHBondContact O-N 3.27Å; L78-C81 PolarHBondContact O-SG 2.82Å; L78-L87 HydrophobicContact CD2-CD2 4.07Å
79	R	87.4	Confident	87.3	Confident	160 Å²	160	60 Å²	60	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-89.4	-41.7	171.8	-74.2	168.6	174.4	-177.8	-2.1	111.4	R14 I75 Q76 I77	R14-R79 PolarHBondContact NH1-O 3.42Å; R14-R79 PolarHBondContact NH2-O 3.31Å; I75-R79 VanDerWaalsContact O-CG 3.32Å; I75-R79 WeakPolarHBondContact O-CG 3.27Å; I75-R79 PolarHBondContact O-N 2.98Å; Q76-R79 CarbonylContact O-C 3.6Å; Q76-R79 WeakPolarHBondContact O-CA 3.25Å; Q76-R79 WeakPolarHBondContact O-CB 3.07Å; Q76-R79 PolarHBondContact O-N 3.45Å; I77-R79 PolarHBondContact O-N 3.12Å
80	E	87.7	Confident	87.6	Confident	86 Å²	86	59.2 Å²	59.2	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-82.9	-9.4	-176.9	-68.9	175.5	177.2	0	0	114	Q76 I77 G82	Q76-E80 HydrophobicContact CG-CG 4.4Å; Q76-E80 PolarHBondContact NE2-OE1 2.88Å; Q76-E80 WeakPolarHBondContact O-CB 3.42Å; Q76-E80 WeakPolarHBondContact O-CG 3.48Å; Q76-E80 PolarHBondContact O-N 3.39Å; I77-E80 PolarHBondContact O-N 3.32Å; E80-G82 PolarHBondContact O-N 3.47Å
81	C	82.5	Confident	87.6	Confident	16 Å²	16	54.2 Å²	54.2	11%	0.108	27%	0.27	C	S	.	.	S	Bend	trans	-62	7.2	-178.9	64.7	0	0	0	0	117	R14 V61 N62 I77 L78 E84 A85	R14-C81 PolarHBondContact NH2-SG 2.78Å; V61-C81 HydrophobicContact CG1-CB 3.9Å; N62-C81 PolarHBondContact ND2-O 3.42Å; I77-C81 VanDerWaalsContact O-CB 3.31Å; I77-C81 WeakPolarHBondContact O-CB 3.45Å; I77-C81 PolarHBondContact O-N 3.4Å; L78-C81 PolarHBondContact O-SG 2.82Å; C81-E84 VanDerWaalsContact O-O 3.04Å; C81-A85 HydrophobicContact CB-CB 4.44Å
82	G	84.9	Confident	86.7	Confident	36 Å²	36	53 Å²	53	37%	0.371	26%	0.264	S	S	.	.			trans	72.3	-155.5	-178.9	0	0	0	0	0	113.8	R14 E80	R14-G82 VanDerWaalsContact CZ-O 3.23Å; R14-G82 PolarHBondContact NE-O 3.37Å; R14-G82 PolarHBondContact NH1-O 3.22Å; E80-G82 PolarHBondContact O-N 3.47Å
83	D	85.9	Confident	85.2	Confident	120 Å²	120	55.9 Å²	55.9	64%	0.642	27%	0.268	S	S	*	.	S	Bend	trans	-85.1	-18.6	-178.5	-65	-34.6	0	0	0	113.3	V13 R14	V13-D83 CarbonylContact C-O 3.54Å; V13-D83 WeakPolarHBondContact CA-O 3.32Å; R14-D83 PolarHBondContact N-O 3.39Å
84	E	87	Confident	83.3	Confident	123 Å²	123	59.2 Å²	59.2	58%	0.575	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.2	174.8	-61.4	-161.4	155.6	0	0	111.4	V13 N62 C81	V13-E84 HydrophobicContact CG2-CG 4.3Å; N62-E84 PolarHBondContact ND2-O 2.64Å; C81-E84 VanDerWaalsContact O-O 3.04Å
85	A	90	Very high	81.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.8	179	0	0	0	0	0	111.4	T11 I12 L20 N62 C81 L87	T11-A85 WeakPolarHBondContact CA-O 3.36Å; I12-A85 PolarHBondContact N-O 3.26Å; I12-A85 PolarHBondContact O-N 2.8Å; L20-A85 HydrophobicContact CD1-CB 4.19Å; L20-A85 HydrophobicContact CD2-CB 3.85Å; N62-A85 VanDerWaalsContact OD1-CA 3.29Å; N62-A85 WeakPolarHBondContact OD1-CA 3.41Å; C81-A85 HydrophobicContact CB-CB 4.44Å; A85-L87 HydrophobicContact CB-CD2 4.14Å
86	E	92.3	Very high	78.4	Confident	72 Å²	72	69.2 Å²	69.2	34%	0.336	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.2	164.5	-168.8	-156.8	160.3	0	0	109.2	V61 N62 K88	V61-E86 CarbonylContact C-O 3.56Å; V61-E86 WeakPolarHBondContact CA-O 3.34Å; N62-E86 PolarHBondContact N-O 2.9Å; N62-E86 PolarHBondContact OD1-N 2.87Å; E86-K88 WeakPolarHBondContact OE1-CE 3.31Å
87	L	93.5	Very high	75.6	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.3	177.8	-52.7	-174.2	0	0	0	110.2	S9 V10 I12 L22 V52 L58 V61 L78 A85 L89	S9-L87 CarbonylContact C-O 3.46Å; S9-L87 VanDerWaalsContact CA-O 3.26Å; S9-L87 WeakPolarHBondContact CA-O 3.4Å; V10-L87 HydrophobicContact CG1-CB 4.25Å; V10-L87 PolarHBondContact N-O 3.39Å; V10-L87 PolarHBondContact O-N 2.68Å; I12-L87 HydrophobicContact CD1-CD1 3.56Å; I12-L87 HydrophobicContact CD1-CG 4.37Å; I12-L87 HydrophobicContact CG1-CD1 4.44Å; L22-L87 HydrophobicContact CD2-CD1 3.63Å; V52-L87 HydrophobicContact CG2-CD1 4.45Å; L58-L87 HydrophobicContact CD1-CB 3.82Å; L58-L87 HydrophobicContact CD1-CD1 4.36Å; L58-L87 HydrophobicContact CD1-CD2 4.1Å; L58-L87 HydrophobicContact CD1-CG 4.32Å; V61-L87 HydrophobicContact CB-CD2 4.33Å; V61-L87 HydrophobicContact CG1-CD2 4Å; V61-L87 HydrophobicContact CG2-CD2 3.88Å; L78-L87 HydrophobicContact CD2-CD2 4.07Å; A85-L87 HydrophobicContact CB-CD2 4.14Å; L87-L89 HydrophobicContact CB-CD1 3.72Å
88	K	92.2	Very high	72.6	Confident	88 Å²	88	82.6 Å²	82.6	38%	0.383	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.7	165.2	-57.9	-170.7	177.6	168.3	0	109.9	Y8 I59 S60 E86	Y8-K88 WeakPolarHBondContact O-CA 3.39Å; I59-K88 PolarHBondContact N-O 3.1Å; S60-K88 PolarHBondContact N-O 3.33Å; S60-K88 PolarHBondContact O-N 2.92Å; S60-K88 VanDerWaalsContact OG-CB 3.3Å; S60-K88 WeakPolarHBondContact OG-CB 3.25Å; S60-K88 WeakPolarHBondContact OG-CD 3.24Å; S60-K88 VanDerWaalsContact OG-CG 3.28Å; S60-K88 WeakPolarHBondContact OG-CG 3.27Å; E86-K88 WeakPolarHBondContact OE1-CE 3.31Å
89	L	93	Very high	69.9	Low	0 Å²	0	91 Å²	91	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.5	-176.1	-58.1	101.8	0	0	0	112.2	H7 Y8 V10 V39 V52 D56 E57 L58 L87	H7-L89 CarbonylContact C-O 3.59Å; H7-L89 VanDerWaalsContact CA-O 3.3Å; H7-L89 WeakPolarHBondContact CA-O 3.37Å; Y8-L89 HydrophobicContact CD1-CB 4.17Å; Y8-L89 HydrophobicContact CD2-CD1 4.42Å; Y8-L89 HydrophobicContact CE1-CB 3.71Å; Y8-L89 HydrophobicContact CE2-CB 4.31Å; Y8-L89 HydrophobicContact CE2-CD1 3.82Å; Y8-L89 PolarHBondContact N-O 3.37Å; Y8-L89 PolarHBondContact O-N 2.7Å; V10-L89 HydrophobicContact CG1-CD1 3.87Å; V39-L89 HydrophobicContact CG2-CD2 3.92Å; V52-L89 HydrophobicContact CG1-CD2 3.75Å; V52-L89 HydrophobicContact CG2-CD1 4.31Å; D56-L89 HydrophobicContact CB-CD2 3.93Å; E57-L89 CarbonylContact O-C 3.4Å; E57-L89 WeakPolarHBondContact O-CA 3.3Å; L58-L89 HydrophobicContact CD1-CD2 4.37Å; L58-L89 HydrophobicContact CD1-CG 4.06Å; L87-L89 HydrophobicContact CB-CD1 3.72Å
90	I	87.9	Confident	67	Low	26 Å²	26	91 Å²	91	13%	0.133	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.7	160.5	-72.2	152.4	0	0	0	108.4	P5 I6 D56 E57 I59	P5-I90 HydrophobicContact CB-CG1 4.38Å; P5-I90 HydrophobicContact CB-CG2 3.61Å; I6-I90 WeakPolarHBondContact O-CA 3.47Å; D56-I90 WeakPolarHBondContact CA-O 3.33Å; E57-I90 HydrophobicContact CB-CB 4.31Å; E57-I90 PolarHBondContact N-O 3.2Å; E57-I90 PolarHBondContact O-N 3.1Å; I59-I90 HydrophobicContact CD1-CD1 3.78Å; I59-I90 HydrophobicContact CD1-CG1 3.66Å; I59-I90 HydrophobicContact CG1-CD1 4.12Å; I59-I90 HydrophobicContact CG1-CG1 4.26Å
91	S	80.8	Confident	64.3	Low	27 Å²	27	94.5 Å²	94.5	19%	0.189	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.2	169.4	175.1	0	0	0	0	110.6	I6 D56 K93	I6-S91 PolarHBondContact O-N 3.48Å; D56-S91 WeakPolarHBondContact OD1-CA 3.41Å; S91-K93 PolarHBondContact OG-N 2.93Å
92	R	64.8	Low	61.7	Low	86 Å²	86	101.8 Å²	101.8	33%	0.325	51%	0.507	S	S	.	.			trans	-101.3	9.7	173.2	-66.9	-163.3	-179.6	-163.1	8.1	113.9	N55 D56 E57 E94 Q95	N55-R92 WeakPolarHBondContact O-CD 3.09Å; N55-R92 WeakPolarHBondContact O-CG 3.31Å; D56-R92 PolarHBondContact OD1-N 3.01Å; E57-R92 IonicContact OE2-CZ 2.72Å; E57-R92 IonicContact OE2-NE 3.79Å; E57-R92 IonicContact OE2-NH2 2.9Å; E57-R92 PolarHBondContact OE2-NH2 3.09Å; R92-E94 PolarHBondContact O-N 3.15Å; R92-Q95 PolarHBondContact O-N 3.26Å
93	K	54.2	Low	58.9	Low	134 Å²	134	107.7 Å²	107.7	58%	0.583	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.2	-168.5	-72.1	-170.1	177.6	178.3	0	117.1	S53 S91	S53-K93 WeakPolarHBondContact OG-CE 3.47Å; S53-K93 PolarHBondContact OG-NZ 3.47Å; S91-K93 PolarHBondContact OG-N 2.93Å
94	E	44.3	Very low	56.2	Low	133 Å²	133	106.1 Å²	106.1	62%	0.621	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.3	177.7	-64	-166.2	154	0	0	114.9	V3 R92	V3-E94 HydrophobicContact CG1-CB 4.49Å; V3-E94 WeakPolarHBondContact CG1-OE2 3.31Å; R92-E94 PolarHBondContact O-N 3.15Å
95	Q	39.9	Very low	53.4	Low	160 Å²	160	106.3 Å²	106.3	75%	0.748	54%	0.544	S	S	*	.	S	Bend	trans	-89.7	3.6	179.6	-70.7	-174	-9.2	0	0	114.8	R92	R92-Q95 PolarHBondContact O-N 3.26Å
96	A	32.6	Very low	50.6	Low	88 Å²	88	115.8 Å²	115.8	73%	0.727	59%	0.589	S	S	*	*			trans	-99.1	7.3	-169.6	0	0	0	0	0	116
97	N	28	Very low	47.4	Very low	143 Å²	143	121 Å²	121	77%	0.765	61%	0.61	S	S	*	*			trans	-102.8	37.2	-166.7	-114.1	-0.4	0	0	0	115.6
98	Y	27.7	Very low	44.3	Very low	220 Å²	220	127.8 Å²	127.8	86%	0.863	65%	0.646	S	S	*	*	S	Bend	trans	-141.1	69.7	173.4	-79.4	-81.8	0	0	0	112.7
99	H	32.1	Very low	41.2	Very low	191 Å²	191	133.3 Å²	133.3	88%	0.884	67%	0.671	S	S	*	*			trans	-175	68.8	143.3	-101.1	-64.4	0	0	0	110.1
100	N	26.5	Very low	38.2	Very low	159 Å²	159	139.9 Å²	139.9	85%	0.85	71%	0.705	S	S	*	*			trans	-129.9	95	167.7	-98.1	-34.2	0	0	0	108.9
101	L	30.9	Very low	35.2	Very low	161 Å²	161	146.6 Å²	146.6	84%	0.843	74%	0.737	S	S	*	*			trans	-145.1	95	167.5	-95.1	151.5	0	0	0	106.7
102	Q	26.6	Very low	32.6	Very low	169 Å²	169	152.6 Å²	152.6	79%	0.79	76%	0.762	S	S	*	*				20.8	133.3	129.1	-82.3	172.6	-46.4	0	0	116.7
103	L	27.6	Very low	30.8	Very low	159 Å²	159	156.9 Å²	156.9	83%	0.832	79%	0.786	S	S	*	*			cis	-149.7	170.5	22.5	-74.7	106.3	0	0	0	108.8
104	A	28.5	Very low	29.5	Very low	88 Å²	88	156.7 Å²	156.7	73%	0.727	80%	0.796	S	S	*	*			cis	-160	171.5	-10.7	0	0	0	0	0	108.3
105	P	28.9	Very low	28.6	Very low	126 Å²	126	157.2 Å²	157.2	82%	0.818	80%	0.803	S	S	*	*			trans	-104.9	143.5	-173.7	37.3	-29.5	0	0	0	114.2
106	E	30.4	Very low	28	Very low	200 Å²	200	158.7 Å²	158.7	94%	0.935	81%	0.807	S	S	*	*			trans	-149.4	137.2	152.8	-146.8	158.6	-149.9	0	0	111.6
107	K	25.8	Very low	27.6	Very low	181 Å²	181	159.5 Å²	159.5	79%	0.787	81%	0.808	S	S	*	*			trans	-113	166	172.8	-78.6	-175.7	169.6	-174.5	0	108.5
108	D	27.8	Very low	27.7	Very low	144 Å²	144	158.7 Å²	158.7	77%	0.77	81%	0.814	S	S	*	*			trans	71.3	75.2	155.5	-51.7	-32.7	0	0	0	117.8
109	F	27.4	Very low	27.6	Very low	205 Å²	205	156.1 Å²	156.1	90%	0.899	81%	0.814	S	S	*	*			trans	-173.1	128.9	145.6	-122.2	-121.2	0	0	0	104.9
110	I	29.7	Very low	27.4	Very low	138 Å²	138	158.8 Å²	158.8	71%	0.708	82%	0.816	S	S	*	*			cis	-142	137.9	24	-72.2	166.2	0	0	0	109
111	M	23.8	Very low	27.3	Very low	167 Å²	167	158.8 Å²	158.8	82%	0.823	81%	0.811	S	S	*	*			trans	-96.7	151.5	158.9	-117.4	-127.7	-73.4	0	0	109.2
112	Q	26.2	Very low	27.2	Very low	152 Å²	152	156.8 Å²	156.8	71%	0.71	81%	0.808	S	S	*	*			trans	86	138.6	172.1	-49.3	175.2	6.6	0	0	117.9
113	Q	27	Very low	27.2	Very low	177 Å²	177	156.9 Å²	156.9	83%	0.827	81%	0.808	S	S	*	*			trans	71.6	128.8	170.9	-48.8	175.4	22.7	0	0	113.5
114	T	28.2	Very low	27.4	Very low	129 Å²	129	157 Å²	157	79%	0.791	81%	0.808	S	S	*	*			cis	-146.4	159.1	30.7	48	0	0	0	0	114.7
115	N	24.3	Very low	27.4	Very low	144 Å²	144	160 Å²	160	77%	0.77	81%	0.812	S	S	*	*			trans	-71.9	-171.8	165.2	-78.1	-35.7	0	0	0	113.1
116	F	27.9	Very low	27.3	Very low	191 Å²	191	159.6 Å²	159.6	84%	0.838	81%	0.811	S	S	*	*			trans	91.4	107.8	176.4	-56.7	-75.2	0	0	0	113.8
117	S	24	Very low	27.2	Very low	106 Å²	106	157.3 Å²	157.3	74%	0.741	81%	0.805	S	S	*	*				65.3	89.1	54.2	-47.7	0	0	0	0	113.4
118	S	30.3	Very low	27.4	Very low	126 Å²	126	154.6 Å²	154.6	88%	0.881	81%	0.807	S	S	*	*			trans	-165.9	128.7	154.3	-84.6	0	0	0	0	111.8
119	L	25	Very low	27.4	Very low	166 Å²	166	155.7 Å²	155.7	87%	0.869	81%	0.81	S	S	*	*			trans	-71.2	152	175.3	-61.7	116.1	0	0	0	112.4
120	R	27.9	Very low	27.5	Very low	246 Å²	246	154.4 Å²	154.4	93%	0.928	81%	0.807	S	S	*	*			trans	-164.5	117.2	136.4	-118.6	175.1	-109.8	-137.6	-0.6	112.6
121	E	24.8	Very low	27.5	Very low	160 Å²	160	154.8 Å²	154.8	75%	0.748	81%	0.81	S	S	*	*			trans	-72.2	153.7	163.2	-58.3	170.9	131.9	0	0	110.7
122	P	29.4	Very low	27.7	Very low	119 Å²	119	158.3 Å²	158.3	77%	0.773	82%	0.816	S	S	*	*			trans	-101.5	103.7	153.6	32.8	-22.6	0	0	0	110.2
123	Q	26	Very low	27.7	Very low	170 Å²	170	162.1 Å²	162.1	79%	0.794	82%	0.824	S	S	*	*			trans	-72.3	127.8	162.5	-71.9	-166.6	-10.9	0	0	109.9
124	I	33.3	Very low	27.7	Very low	161 Å²	161	160.3 Å²	160.3	83%	0.826	82%	0.82	S	S	*	*			trans	-130.6	109.8	159.6	-61.5	-177.2	0	0	0	108.1
125	N	27.1	Very low	27.7	Very low	151 Å²	151	163.1 Å²	163.1	81%	0.807	82%	0.824	S	S	*	*			trans	-74.4	140	172.7	-120.2	-1.1	0	0	0	110.1
126	C	27.2	Very low	27.8	Very low	119 Å²	119	162.2 Å²	162.2	80%	0.804	83%	0.827	S	S	*	*			trans	-148.3	126.2	156.2	-164	0	0	0	0	110.9
127	D	29.1	Very low	27.7	Very low	151 Å²	151	160.7 Å²	160.7	81%	0.807	83%	0.826	S	S	*	*			trans	-79.7	116.6	-176.6	-75.8	-61	0	0	0	112.7
128	C	29.8	Very low	27.8	Very low	124 Å²	124	162.8 Å²	162.8	84%	0.838	83%	0.829	S	S	*	*			trans	-148.9	38	157.9	60.4	0	0	0	0	113.8	Q130	C128-Q130 PolarHBondContact O-N 3.02Å
129	M	28.1	Very low	27.8	Very low	168 Å²	168	162.6 Å²	162.6	83%	0.828	83%	0.828	S	S	*	*			trans	-93.1	89.6	172.8	-97.4	-66.2	-61.9	0	0	112.2
130	Q	29.3	Very low	27.8	Very low	178 Å²	178	163.2 Å²	163.2	83%	0.832	83%	0.828	S	S	*	*			trans	-174.2	143.5	152.7	-104.4	147	79.2	0	0	110.8	C128	C128-Q130 PolarHBondContact O-N 3.02Å
131	N	29.1	Very low	27.8	Very low	146 Å²	146	160.1 Å²	160.1	78%	0.781	82%	0.822	S	S	*	*	S	Bend	trans	74.6	73	178.7	-48.7	-31.7	0	0	0	117.1
132	Y	28.3	Very low	28.1	Very low	241 Å²	241	161 Å²	161	95%	0.945	82%	0.819	S	S	*	*			trans	-166.2	64.5	132.3	-94.4	-63.9	0	0	0	109.2
133	R	25.6	Very low	27.9	Very low	231 Å²	231	166.4 Å²	166.4	87%	0.872	82%	0.824	S	S	*	*			trans	-87.1	136.4	161.2	-95.9	-178.8	171.5	165.4	-2.7	107.9
134	N	26.7	Very low	28.1	Very low	140 Å²	140	161 Å²	161	75%	0.749	81%	0.805	S	S	*	*	S	Bend	trans	74.8	87.4	172.2	-43.3	-21.8	0	0	0	115.5
135	H	27.7	Very low	27.8	Very low	188 Å²	188	157.6 Å²	157.6	87%	0.87	79%	0.789	S	S	*	*			trans	-175.9	163.1	131.2	-87.9	-22.2	0	0	0	111.2
136	C	27	Very low	28.2	Very low	124 Å²	124	154.6 Å²	154.6	84%	0.838	78%	0.776	S	S	*	*			trans	70.2	64.6	-179.1	-56.8	0	0	0	0	116.7	D138	C136-D138 VanDerWaalsContact C-N 3.32Å; C136-D138 PolarHBondContact O-N 3.03Å
137	I	26.1	Very low	28.3	Very low	159 Å²	159	153.5 Å²	153.5	82%	0.815	78%	0.776	S	S	*	*			trans	-75	90.1	146.1	-60.7	169.2	0	0	0	106.2
138	D	26.9	Very low	28.4	Very low	150 Å²	150	152.8 Å²	152.8	80%	0.802	77%	0.771	S	S	*	*			trans	-176.9	93	162.5	-99.9	-30.4	0	0	0	111.3	C136	C136-D138 VanDerWaalsContact C-N 3.32Å; C136-D138 PolarHBondContact O-N 3.03Å
139	S	29.4	Very low	28.4	Very low	122 Å²	122	152.2 Å²	152.2	85%	0.853	75%	0.751	S	S	*	*			trans	-168.5	26.3	166.8	-81.2	0	0	0	0	112.8	K141	S139-K141 PolarHBondContact O-N 3.45Å
140	M	25	Very low	28.7	Very low	180 Å²	180	148.9 Å²	148.9	89%	0.887	74%	0.737	S	S	*	*			trans	-90.9	60.7	-177.3	-74.3	-158.8	-72.9	0	0	113.4
141	K	28.2	Very low	28.7	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.787	73%	0.73	S	S	*	*	S	Bend	trans	-136.7	39.6	174.1	-78	-170.4	179.2	172.5	0	115.9	S139	S139-K141 PolarHBondContact O-N 3.45Å
142	Y	30.3	Very low	28.9	Very low	178 Å²	178	145.1 Å²	145.1	70%	0.698	73%	0.728	S	S	*	*			trans	-161.3	78.7	152.3	-100.5	-70.7	0	0	0	110.8
143	R	25.3	Very low	29	Very low	233 Å²	233	143.6 Å²	143.6	88%	0.879	72%	0.722	S	S	*	*			trans	-132.2	113.1	165.1	-86.8	-163.4	174.6	-147	-0.8	110.2
144	S	30	Very low	29.1	Very low	56 Å²	56	138 Å²	138	39%	0.392	71%	0.714	S	S	.	*	S	Bend	trans	-148.7	116.7	163	-53.4	0	0	0	0	108.2	T146 S541	S144-T146 PolarHBondContact O-N 3.05Å; S144-S541 WeakPolarHBondContact OG-CA 3.44Å; S144-S541 WeakPolarHBondContact OG-CB 3.44Å
145	D	27	Very low	29.2	Very low	90 Å²	90	141.7 Å²	141.7	48%	0.481	72%	0.719	S	S	.	*	S	Bend	trans	63.7	22.4	159	-59.2	4.4	0	0	0	120.9	A147	D145-A147 PolarHBondContact O-N 3.43Å
146	T	35.9	Very low	29.3	Very low	87 Å²	87	140.5 Å²	140.5	53%	0.534	72%	0.719	S	S	.	*			trans	-75.4	-1.6	155	47.3	0	0	0	0	113.8	S144 L148 W149	S144-T146 PolarHBondContact O-N 3.05Å; T146-L148 PolarHBondContact O-N 3.36Å; T146-W149 HydrophobicContact CG2-CE3 4.2Å; T146-W149 HydrophobicContact CG2-CZ3 4.12Å; T146-W149 PolarHBondContact O-N 2.84Å
147	A	29.6	Very low	29.3	Very low	97 Å²	97	142.8 Å²	142.8	80%	0.802	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	1.8	-174.1	0	0	0	0	0	115.8	D145	D145-A147 PolarHBondContact O-N 3.43Å
148	L	31.9	Very low	29.5	Very low	136 Å²	136	142.7 Å²	142.7	71%	0.712	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-5.8	168.2	-90.1	162.9	0	0	0	113.3	T146	T146-L148 PolarHBondContact O-N 3.36Å
149	W	30.1	Very low	29.6	Very low	112 Å²	112	146.9 Å²	146.9	42%	0.424	72%	0.723	S	S	.	*			trans	-134.2	52	-170.1	-35.8	-44.9	0	0	0	112.7	T146 P151	T146-W149 HydrophobicContact CG2-CE3 4.2Å; T146-W149 HydrophobicContact CG2-CZ3 4.12Å; T146-W149 PolarHBondContact O-N 2.84Å; W149-P151 WeakPolarHBondContact O-CD 3.18Å
150	D	32.4	Very low	29.7	Very low	98 Å²	98	146 Å²	146	52%	0.524	72%	0.717	S	S	.	*			trans	-104.6	98.6	163.2	-172.2	-3.1	0	0	0	109.9	N152	D150-N152 PolarHBondContact O-N 3.17Å; D150-N152 WeakPolarHBondContact OD1-CA 3.47Å; D150-N152 WeakPolarHBondContact OD1-CB 2.96Å; D150-N152 PolarHBondContact OD1-N 3.38Å
151	P	30.4	Very low	30.2	Very low	104 Å²	104	145.7 Å²	145.7	68%	0.675	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-8	175.5	-11.9	29.6	0	0	0	113.1	W149	W149-P151 WeakPolarHBondContact O-CD 3.18Å
152	N	32.3	Very low	30.8	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	10.3	-168.1	-68.5	-17.7	0	0	0	113.7	D150 T154	D150-N152 PolarHBondContact O-N 3.17Å; D150-N152 WeakPolarHBondContact OD1-CA 3.47Å; D150-N152 WeakPolarHBondContact OD1-CB 2.96Å; D150-N152 PolarHBondContact OD1-N 3.38Å; N152-T154 VanDerWaalsContact C-N 3.26Å; N152-T154 PolarHBondContact O-N 3.18Å
153	Y	30.5	Very low	31.2	Very low	208 Å²	208	143.2 Å²	143.2	82%	0.816	71%	0.709	S	S	*	*			trans	-90.3	43.2	172.7	-126.1	-84.1	0	0	0	113.3	Y155	Y153-Y155 PolarHBondContact O-N 3.48Å
154	T	28.8	Very low	32.7	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	69%	0.685	S	S	*	*			trans	-87	89.3	173.4	48.9	0	0	0	0	111.6	N152	N152-T154 VanDerWaalsContact C-N 3.26Å; N152-T154 PolarHBondContact O-N 3.18Å
155	Y	28	Very low	34.9	Very low	217 Å²	217	140.9 Å²	140.9	85%	0.851	70%	0.699	S	S	*	*			trans	-173.9	90.1	139.6	-121.4	-85.9	0	0	0	110.7	Y153	Y153-Y155 PolarHBondContact O-N 3.48Å
156	N	29.8	Very low	37.5	Very low	163 Å²	163	140.7 Å²	140.7	87%	0.872	70%	0.698	S	S	*	*			trans	-173.5	107.2	149.5	-96.9	-33.8	0	0	0	108.9
157	E	28	Very low	39.7	Very low	173 Å²	173	138 Å²	138	81%	0.808	68%	0.681	S	S	*	*			trans	-67.6	156.5	177.4	-61	176.7	136.9	0	0	111.3
158	N	29.9	Very low	42.4	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	67%	0.67	S	S	*	*	S	Bend	trans	94.3	19.1	166.8	-48.5	-52.5	0	0	0	120.9
159	R	29.4	Very low	44.9	Very low	237 Å²	237	132.9 Å²	132.9	89%	0.894	64%	0.637	S	S	*	*			trans	-146.1	90.3	159.2	-71.4	-166.1	179.3	-166.5	-0.5	113.4
160	S	30.6	Very low	47.5	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	64%	0.639	S	S	*	*			trans	-148.5	78.2	177.7	-162.9	0	0	0	0	113.9
161	E	35	Very low	49.8	Very low	174 Å²	174	127.9 Å²	127.9	81%	0.813	62%	0.615	S	S	*	*	S	Bend	trans	-136.6	-4.2	167.7	-72.2	-165.6	146.3	0	0	114.4
162	N	42.2	Very low	51.8	Low	136 Å²	136	129.5 Å²	129.5	73%	0.727	61%	0.612	S	S	*	*			trans	-109.2	15.3	-168.2	-84.2	-2.3	0	0	0	115.9
163	Y	37.4	Very low	53.7	Low	171 Å²	171	123.5 Å²	123.5	67%	0.671	58%	0.579	S	S	*	*	S	Bend	trans	-100.2	132.7	179.5	-62.9	-73.1	0	0	0	111.6	R165	Y163-R165 PolarHBondContact O-N 3.09Å
164	P	58.2	Low	55.4	Low	58 Å²	58	122.8 Å²	122.8	38%	0.377	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-65.8	130.8	176.5	28	-33.9	0	0	0	109.9	L166 A240 R241	P164-L166 PolarHBondContact O-N 3.17Å; P164-A240 HydrophobicContact CB-CB 4.35Å; P164-R241 CarbonylContact C-O 3.6Å; P164-R241 WeakPolarHBondContact CA-O 3.3Å
165	R	76.2	Confident	57	Low	182 Å²	182	120.6 Å²	120.6	69%	0.687	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.3	121.6	-179.9	-175.3	175.6	179.5	177.2	0.6	109.3	Y163 V167 R241	Y163-R165 PolarHBondContact O-N 3.09Å; R165-V167 HydrophobicContact CG-CG2 4.2Å; R165-R241 PolarHBondContact N-O 2.81Å; R165-R241 PolarHBondContact O-N 2.87Å
166	L	79.9	Confident	58.5	Low	87 Å²	87	113.7 Å²	113.7	46%	0.455	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.5	168	-65.5	175.9	0	0	0	109.6	P164 I211 L238 V239 A240	P164-L166 PolarHBondContact O-N 3.17Å; L166-I211 HydrophobicContact CD2-CG1 4.28Å; L166-L238 HydrophobicContact CB-CD1 4.26Å; L166-L238 HydrophobicContact CD2-CG 4.5Å; L166-V239 CarbonylContact C-O 3.53Å; L166-V239 WeakPolarHBondContact CA-O 3.32Å; L166-A240 HydrophobicContact CD2-CB 4.01Å
167	V	83.6	Confident	60.1	Low	31 Å²	31	110.2 Å²	110.2	19%	0.188	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.4	-180	-175.7	0	0	0	0	108	R165 I169 V239 R241	R165-V167 HydrophobicContact CG-CG2 4.2Å; V167-I169 HydrophobicContact CG1-CG1 4.08Å; V167-V239 HydrophobicContact CB-CG2 3.96Å; V167-V239 PolarHBondContact N-O 3.08Å; V167-V239 PolarHBondContact O-N 3.18Å; V167-R241 HydrophobicContact CG2-CB 4.29Å
168	E	85	Confident	62	Low	119 Å²	119	103.7 Å²	103.7	56%	0.556	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.7	169.9	-166.7	175.5	108.2	0	0	109.9	H170 I236 L237	E168-H170 IonicContact OE1-CD2 2.7Å; E168-H170 IonicContact OE1-CE1 3.74Å; E168-H170 IonicContact OE1-NE2 3.69Å; E168-H170 PolarHBondContact OE1-NE2 2.81Å; E168-I236 HydrophobicContact CG-CG2 3.6Å; E168-L237 CarbonylContact C-O 3.49Å; E168-L237 WeakPolarHBondContact CA-O 3.43Å
169	I	85.9	Confident	64	Low	5 Å²	5	99 Å²	99	3%	0.026	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.1	-172.8	-71.4	176.6	0	0	0	108.4	V167 L171 A202 L204 L237 V239	V167-I169 HydrophobicContact CG1-CG1 4.08Å; I169-L171 HydrophobicContact CG2-CG 4.44Å; I169-A202 HydrophobicContact CG2-CB 3.96Å; I169-L204 HydrophobicContact CD1-CD2 3.55Å; I169-L204 HydrophobicContact CD1-CG 4.01Å; I169-L204 HydrophobicContact CG2-CD2 4.32Å; I169-L204 HydrophobicContact CG2-CG 4.07Å; I169-L237 HydrophobicContact CB-CB 4.19Å; I169-L237 PolarHBondContact N-O 2.97Å; I169-L237 PolarHBondContact O-N 3.27Å; I169-V239 HydrophobicContact CD1-CG1 4.13Å; I169-V239 HydrophobicContact CD1-CG2 3.57Å; I169-V239 HydrophobicContact CG1-CG2 4.38Å
170	H	84.8	Confident	66.3	Low	101 Å²	101	88 Å²	88	47%	0.468	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	102.7	-176.9	-76.9	-124.8	0	0	0	110.2	E168 A202	E168-H170 IonicContact OE1-CD2 2.7Å; E168-H170 IonicContact OE1-CE1 3.74Å; E168-H170 IonicContact OE1-NE2 3.69Å; E168-H170 PolarHBondContact OE1-NE2 2.81Å; H170-A202 WeakPolarHBondContact O-CB 3.31Å
171	L	79.6	Confident	68.7	Low	4 Å²	4	83.2 Å²	83.2	2%	0.021	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.2	174.4	-69.2	169.3	0	0	0	110.1	I169 L180 A202 L204 L230 E234 T235 L237	I169-L171 HydrophobicContact CG2-CG 4.44Å; L171-L180 HydrophobicContact CD1-CD1 4.27Å; L171-L180 HydrophobicContact CD1-CD2 4.29Å; L171-L180 HydrophobicContact CD2-CD2 4.2Å; L171-A202 HydrophobicContact CD2-CB 3.43Å; L171-A202 VanDerWaalsContact CD2-CB 3.43Å; L171-A202 HydrophobicContact CG-CB 4.19Å; L171-L204 HydrophobicContact CD1-CD1 4.25Å; L171-L204 HydrophobicContact CD2-CD1 4.17Å; L171-L230 HydrophobicContact CD1-CD2 3.82Å; L171-E234 WeakPolarHBondContact O-CA 2.9Å; L171-T235 PolarHBondContact N-O 3.37Å; L171-T235 PolarHBondContact O-N 3.2Å; L171-L237 HydrophobicContact CD1-CD1 3.47Å; L171-L237 VanDerWaalsContact CD1-CD1 3.47Å; L171-L237 HydrophobicContact CD1-CG 3.98Å; L171-L237 HydrophobicContact CG-CD1 4.25Å
172	K	72.9	Confident	70.9	Confident	138 Å²	138	75.4 Å²	75.4	60%	0.6	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	106.3	177.2	-159.4	-177.8	-170.6	95	0	110.6	Q233 E234	K172-Q233 CarbonylContact C-O 3.53Å; K172-E234 IonicContact NZ-OE1 3.91Å; K172-E234 PolarHBondContact NZ-OE1 3.21Å; K172-E234 IonicContact NZ-OE2 3.95Å
173	R	71.8	Confident	72.6	Confident	16 Å²	16	71.5 Å²	71.5	6%	0.06	36%	0.356	C	S	.	.			trans	-93.1	143.6	172.4	-76.4	170.8	72.5	161.9	11.6	110.3	N175 A176 A177 E178 L180 L198 Q233	R173-N175 PolarHBondContact NE-O 2.76Å; R173-N175 PolarHBondContact NH2-O 2.87Å; R173-A176 PolarHBondContact NH2-O 3.24Å; R173-A177 VanDerWaalsContact NH2-C 3.34Å; R173-E178 PolarHBondContact NE-O 3.3Å; R173-E178 PolarHBondContact NH2-O 3.49Å; R173-L180 HydrophobicContact CG-CD2 3.93Å; R173-L198 HydrophobicContact CB-CD1 4.43Å; R173-L198 HydrophobicContact CG-CD1 3.6Å; R173-Q233 PolarHBondContact N-O 2.69Å; R173-Q233 VanDerWaalsContact O-O 3.09Å
174	R	65.6	Low	74.5	Confident	193 Å²	193	63.7 Å²	63.7	73%	0.728	33%	0.326	S	S	*	.	S	Bend	trans	-78.1	-37.2	171.4	-44.1	-174	-158.4	106.4	-5.3	110.2	E178 Q233	R174-E178 WeakPolarHBondContact CA-OE2 3.25Å; R174-E178 WeakPolarHBondContact CB-OE2 3.41Å; R174-E178 IonicContact CZ-OE1 3.77Å; R174-E178 PolarHBondContact N-OE2 3.47Å; R174-E178 IonicContact NE-OE1 3.62Å; R174-E178 IonicContact NH1-OE1 2.7Å; R174-E178 PolarHBondContact NH1-OE1 2.91Å; R174-Q233 PolarHBondContact O-NE2 3.16Å
175	N	64	Low	75	Confident	67 Å²	67	64.7 Å²	64.7	36%	0.358	33%	0.328	S	S	.	.	S	Bend	trans	-141.4	164	179.6	69.6	55.4	0	0	0	113.1	R173 A177 E178	R173-N175 PolarHBondContact NE-O 2.76Å; R173-N175 PolarHBondContact NH2-O 2.87Å; N175-A177 PolarHBondContact O-N 3Å; N175-A177 WeakPolarHBondContact OD1-CA 3.45Å; N175-A177 WeakPolarHBondContact OD1-CB 3.29Å; N175-A177 PolarHBondContact OD1-N 3.28Å; N175-E178 PolarHBondContact N-OE2 3.29Å; N175-E178 WeakPolarHBondContact OD1-CG 3.43Å; N175-E178 PolarHBondContact OD1-N 2.81Å
176	A	59	Low	74.2	Confident	73 Å²	73	59.6 Å²	59.6	60%	0.603	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	7.2	-179.8	0	0	0	0	0	114.6	R173	R173-A176 PolarHBondContact NH2-O 3.24Å
177	A	62.8	Low	73.4	Confident	89 Å²	89	64 Å²	64	74%	0.736	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-25.4	174.5	0	0	0	0	0	113.9	R173 N175 S179	R173-A177 VanDerWaalsContact NH2-C 3.34Å; N175-A177 PolarHBondContact O-N 3Å; N175-A177 WeakPolarHBondContact OD1-CA 3.45Å; N175-A177 WeakPolarHBondContact OD1-CB 3.29Å; N175-A177 PolarHBondContact OD1-N 3.28Å; A177-S179 PolarHBondContact O-N 2.9Å
178	E	69	Low	73	Confident	36 Å²	36	63 Å²	63	17%	0.168	32%	0.324	C	S	.	.	S	Bend	trans	-59.1	114	177.9	-81.4	166.2	165.4	0	0	111.3	R173 R174 N175 L180 L198	R173-E178 PolarHBondContact NE-O 3.3Å; R173-E178 PolarHBondContact NH2-O 3.49Å; R174-E178 WeakPolarHBondContact CA-OE2 3.25Å; R174-E178 WeakPolarHBondContact CB-OE2 3.41Å; R174-E178 IonicContact CZ-OE1 3.77Å; R174-E178 PolarHBondContact N-OE2 3.47Å; R174-E178 IonicContact NE-OE1 3.62Å; R174-E178 IonicContact NH1-OE1 2.7Å; R174-E178 PolarHBondContact NH1-OE1 2.91Å; N175-E178 PolarHBondContact N-OE2 3.29Å; N175-E178 WeakPolarHBondContact OD1-CG 3.43Å; N175-E178 PolarHBondContact OD1-N 2.81Å; E178-L180 PolarHBondContact O-N 3.43Å; E178-L198 HydrophobicContact CB-CD1 3.94Å
179	S	71.7	Confident	72.8	Confident	59 Å²	59	59 Å²	59	41%	0.413	31%	0.308	S	S	.	.			trans	-57.6	135.1	177.3	48.1	0	0	0	0	111	A177 G181 S262	A177-S179 PolarHBondContact O-N 2.9Å; S179-G181 PolarHBondContact O-N 3Å; S179-S262 WeakPolarHBondContact CB-OG 3.33Å
180	L	77.3	Confident	72.8	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.037	31%	0.307	C	S	.	.			trans	-68.5	-26.6	171.5	-73.8	179.6	0	0	0	111.5	L171 R173 E178 V182 S197 L198 G199 L230 S262	L171-L180 HydrophobicContact CD1-CD1 4.27Å; L171-L180 HydrophobicContact CD1-CD2 4.29Å; L171-L180 HydrophobicContact CD2-CD2 4.2Å; R173-L180 HydrophobicContact CG-CD2 3.93Å; E178-L180 PolarHBondContact O-N 3.43Å; L180-V182 HydrophobicContact CB-CB 4.46Å; L180-V182 HydrophobicContact CB-CG2 4.15Å; L180-S197 VanDerWaalsContact O-CB 3.31Å; L180-S197 WeakPolarHBondContact O-CB 3.27Å; L180-S197 PolarHBondContact O-OG 3.31Å; L180-L198 HydrophobicContact CD2-CB 4.31Å; L180-L198 PolarHBondContact O-N 3.1Å; L180-G199 PolarHBondContact O-N 3.23Å; L180-L230 HydrophobicContact CD1-CB 3.75Å; L180-L230 HydrophobicContact CD1-CD2 4.04Å; L180-L230 HydrophobicContact CD1-CG 4.36Å; L180-S262 PolarHBondContact N-OG 3.32Å; L180-S262 VanDerWaalsContact N-OG 3.14Å
181	G	80.3	Confident	72.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.01	29%	0.294	C	S	.	.			trans	60.6	47.4	-173.3	0	0	0	0	0	112	S179 V193 D194 S197 S262	S179-G181 PolarHBondContact O-N 3Å; G181-V193 CarbonylContact O-C 3.59Å; G181-V193 VanDerWaalsContact O-CA 3.31Å; G181-V193 WeakPolarHBondContact O-CA 3.4Å; G181-V193 WeakPolarHBondContact O-CG1 3.36Å; G181-D194 WeakPolarHBondContact CA-OD2 3.5Å; G181-D194 PolarHBondContact O-N 3.33Å; G181-S197 PolarHBondContact O-OG 2.94Å; G181-S262 PolarHBondContact N-OG 3.1Å
182	V	80.8	Confident	73	Confident	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124	-180	-179.4	0	0	0	0	107.2	L180 L184 V190 L204	L180-V182 HydrophobicContact CB-CB 4.46Å; L180-V182 HydrophobicContact CB-CG2 4.15Å; V182-L184 HydrophobicContact CG1-CD2 4.04Å; V182-V190 HydrophobicContact CG1-CG1 3.99Å; V182-V190 HydrophobicContact CG1-CG2 4.03Å; V182-L204 HydrophobicContact CG1-CD1 4.2Å; V182-L204 HydrophobicContact CG2-CD1 3.61Å
183	E	78.8	Confident	73.6	Confident	53 Å²	53	52 Å²	52	25%	0.248	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.2	173.6	-172.4	179.8	-162.2	0	0	109.3	V190 A191 S192 P258	E183-V190 CarbonylContact O-C 3.6Å; E183-V190 WeakPolarHBondContact O-CA 3.3Å; E183-A191 HydrophobicContact CB-CB 4.01Å; E183-A191 HydrophobicContact CG-CB 3.86Å; E183-A191 PolarHBondContact O-N 3.5Å; E183-S192 WeakPolarHBondContact CB-OG 3.49Å; E183-S192 PolarHBondContact N-O 3.2Å; E183-S192 PolarHBondContact OE2-OG 3.49Å; E183-P258 WeakPolarHBondContact OE1-CB 3.3Å
184	L	78.3	Confident	74.3	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.3	180	-62.7	178.1	0	0	0	111.1	V182 L188 T189 V190 I210 L223 T226 L230	V182-L184 HydrophobicContact CG1-CD2 4.04Å; L184-L188 HydrophobicContact CD1-CD2 4.39Å; L184-T189 WeakPolarHBondContact CA-O 3.47Å; L184-V190 HydrophobicContact CD2-CG2 3.97Å; L184-I210 HydrophobicContact CD1-CD1 4.33Å; L184-I210 HydrophobicContact CD2-CD1 3.85Å; L184-L223 HydrophobicContact CB-CD2 3.84Å; L184-T226 HydrophobicContact CD1-CG2 3.65Å; L184-L230 HydrophobicContact CD1-CD1 3.77Å
185	L	68.1	Low	75.1	Confident	80 Å²	80	53.7 Å²	53.7	42%	0.419	31%	0.307	S	S	.	.			trans	-82	174.4	169	-61.7	-179	0	0	0	111.3	L188 T189 A191	L185-L188 PolarHBondContact O-N 3.47Å; L185-L188 VanDerWaalsContact O-N 3.13Å; L185-T189 PolarHBondContact N-O 3.5Å; L185-A191 HydrophobicContact CD1-CB 4.08Å; L185-A191 HydrophobicContact CD2-CB 3.67Å; L185-A191 HydrophobicContact CG-CB 3.5Å
186	S	58.4	Low	75.9	Confident	75 Å²	75	56.6 Å²	56.6	52%	0.524	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-49.5	145.4	162.9	68.8	0	0	0	0	110.9	L188	S186-L188 VanDerWaalsContact C-N 3.26Å; S186-L188 PolarHBondContact O-N 3.03Å
187	R	63.5	Low	77.2	Confident	179 Å²	179	53.7 Å²	53.7	68%	0.675	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	68.1	13.1	-172	-47.8	175.4	175.4	174.8	-1.5	116.1	T189	R187-T189 VanDerWaalsContact C-N 3.27Å; R187-T189 PolarHBondContact O-N 3.38Å
188	L	75.8	Confident	78.1	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.052	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	60.6	37.2	174.2	-51.8	174.1	0	0	0	112.7	L184 L185 S186 I210 T218 L221 L223 T226	L184-L188 HydrophobicContact CD1-CD2 4.39Å; L185-L188 PolarHBondContact O-N 3.47Å; L185-L188 VanDerWaalsContact O-N 3.13Å; S186-L188 VanDerWaalsContact C-N 3.26Å; S186-L188 PolarHBondContact O-N 3.03Å; L188-I210 WeakPolarHBondContact O-CG1 3.49Å; L188-I210 PolarHBondContact O-N 2.89Å; L188-T218 HydrophobicContact CD1-CG2 4.36Å; L188-T218 WeakPolarHBondContact CD1-O 3.47Å; L188-L221 HydrophobicContact CD1-CB 4.33Å; L188-L223 HydrophobicContact CD2-CD2 3.65Å; L188-L223 HydrophobicContact CD2-CG 4.25Å; L188-T226 HydrophobicContact CD1-CG2 4.37Å; L188-T226 VanDerWaalsContact CD1-OG1 3.26Å; L188-T226 WeakPolarHBondContact CD1-OG1 3.4Å; L188-T226 HydrophobicContact CD2-CG2 3.81Å; L188-T226 WeakPolarHBondContact CD2-OG1 3.26Å
189	T	80.8	Confident	79	Confident	36 Å²	36	49.1 Å²	49.1	22%	0.221	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-87.3	134.9	167.6	-51.3	0	0	0	0	109	L184 L185 R187 A191 D208	L184-T189 WeakPolarHBondContact CA-O 3.47Å; L185-T189 PolarHBondContact N-O 3.5Å; R187-T189 VanDerWaalsContact C-N 3.27Å; R187-T189 PolarHBondContact O-N 3.38Å; T189-A191 PolarHBondContact O-N 3.07Å; T189-D208 CarbonylContact C-O 3.57Å; T189-D208 WeakPolarHBondContact CA-O 3.38Å
190	V	85	Confident	79.8	Confident	1 Å²	1	51 Å²	51	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	115.4	173.6	178	0	0	0	0	109.3	V182 E183 L184 S192 V193 L204 K205 G207 D208	V182-V190 HydrophobicContact CG1-CG1 3.99Å; V182-V190 HydrophobicContact CG1-CG2 4.03Å; E183-V190 CarbonylContact O-C 3.6Å; E183-V190 WeakPolarHBondContact O-CA 3.3Å; L184-V190 HydrophobicContact CD2-CG2 3.97Å; V190-S192 WeakPolarHBondContact CG1-O 3.17Å; V190-V193 HydrophobicContact CG1-CG2 3.44Å; V190-V193 VanDerWaalsContact CG1-CG2 3.44Å; V190-L204 HydrophobicContact CG2-CD2 4.23Å; V190-K205 WeakPolarHBondContact CB-O 3.35Å; V190-K205 WeakPolarHBondContact CG1-O 3.34Å; V190-G207 PolarHBondContact O-N 3.47Å; V190-D208 HydrophobicContact CB-CB 4.35Å; V190-D208 HydrophobicContact CG2-CB 4.07Å; V190-D208 WeakPolarHBondContact CG2-O 3.46Å; V190-D208 PolarHBondContact N-O 3.39Å
191	A	82.5	Confident	80.2	Confident	24 Å²	24	57.1 Å²	57.1	20%	0.198	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-56.7	176.9	0	0	0	0	0	109.9	E183 L185 T189 S206	E183-A191 HydrophobicContact CB-CB 4.01Å; E183-A191 HydrophobicContact CG-CB 3.86Å; E183-A191 PolarHBondContact O-N 3.5Å; L185-A191 HydrophobicContact CD1-CB 4.08Å; L185-A191 HydrophobicContact CD2-CB 3.67Å; L185-A191 HydrophobicContact CG-CB 3.5Å; T189-A191 PolarHBondContact O-N 3.07Å; A191-S206 WeakPolarHBondContact O-CB 3.35Å; A191-S206 PolarHBondContact O-OG 3.18Å
192	S	85.9	Confident	80.4	Confident	39 Å²	39	58.5 Å²	58.5	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.7	-175.7	68.2	0	0	0	0	109.1	E183 V190	E183-S192 WeakPolarHBondContact CB-OG 3.49Å; E183-S192 PolarHBondContact N-O 3.2Å; E183-S192 PolarHBondContact OE2-OG 3.49Å; V190-S192 WeakPolarHBondContact CG1-O 3.17Å
193	V	86.6	Confident	80.7	Confident	35 Å²	35	59.3 Å²	59.3	21%	0.212	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.3	172	-175.2	0	0	0	0	105.8	G181 V190 S197 E200 L204	G181-V193 CarbonylContact O-C 3.59Å; G181-V193 VanDerWaalsContact O-CA 3.31Å; G181-V193 WeakPolarHBondContact O-CA 3.4Å; G181-V193 WeakPolarHBondContact O-CG1 3.36Å; V190-V193 HydrophobicContact CG1-CG2 3.44Å; V190-V193 VanDerWaalsContact CG1-CG2 3.44Å; V193-S197 WeakPolarHBondContact CG1-OG 3.39Å; V193-E200 HydrophobicContact CG1-CB 3.8Å; V193-E200 VanDerWaalsContact CG1-N 3.29Å; V193-L204 HydrophobicContact CG2-CB 4.21Å
194	D	85.3	Confident	81.2	Confident	77 Å²	77	57.1 Å²	57.1	41%	0.412	31%	0.305	S	S	.	.			trans	-66.7	140.9	-178.7	-65.3	-36.5	0	0	0	109.9	G181 N196 S197	G181-D194 WeakPolarHBondContact CA-OD2 3.5Å; G181-D194 PolarHBondContact O-N 3.33Å; D194-N196 PolarHBondContact O-N 3.19Å; D194-S197 WeakPolarHBondContact O-CB 3.44Å; D194-S197 PolarHBondContact O-N 3.47Å; D194-S197 VanDerWaalsContact O-N 3.15Å; D194-S197 PolarHBondContact O-OG 3.19Å
195	E	83.4	Confident	81.7	Confident	168 Å²	168	62.6 Å²	62.6	79%	0.785	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	137	176.7	-64.4	-175.3	174.2	0	0	111.5	S197	E195-S197 PolarHBondContact O-N 3.05Å
196	N	81.3	Confident	82.5	Confident	129 Å²	129	62.8 Å²	62.8	69%	0.69	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	11.3	-175.7	-52.3	-84.3	0	0	0	115	D194 E200 Q201	D194-N196 PolarHBondContact O-N 3.19Å; N196-E200 PolarHBondContact N-OE2 3.39Å; N196-Q201 PolarHBondContact O-NE2 2.84Å
197	S	85.3	Confident	83.6	Confident	12 Å²	12	61.2 Å²	61.2	8%	0.084	33%	0.332	C	S	.	.			trans	-71.4	166.4	178.8	69.6	0	0	0	0	113.8	L180 G181 V193 D194 E195 G199 E200 Q201	L180-S197 VanDerWaalsContact O-CB 3.31Å; L180-S197 WeakPolarHBondContact O-CB 3.27Å; L180-S197 PolarHBondContact O-OG 3.31Å; G181-S197 PolarHBondContact O-OG 2.94Å; V193-S197 WeakPolarHBondContact CG1-OG 3.39Å; D194-S197 WeakPolarHBondContact O-CB 3.44Å; D194-S197 PolarHBondContact O-N 3.47Å; D194-S197 VanDerWaalsContact O-N 3.15Å; D194-S197 PolarHBondContact O-OG 3.19Å; E195-S197 PolarHBondContact O-N 3.05Å; S197-G199 PolarHBondContact O-N 3.24Å; S197-G199 PolarHBondContact OG-N 3.44Å; S197-E200 PolarHBondContact O-N 3.27Å; S197-E200 PolarHBondContact OG-N 3.19Å; S197-E200 VanDerWaalsContact OG-N 3.16Å; S197-Q201 WeakPolarHBondContact O-CB 3.33Å; S197-Q201 VanDerWaalsContact O-CG 3.24Å; S197-Q201 WeakPolarHBondContact O-CG 3.4Å; S197-Q201 PolarHBondContact O-N 3.46Å
198	L	83	Confident	84.9	Confident	29 Å²	29	52.8 Å²	52.8	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-28.2	173.1	-67.9	175.8	0	0	0	112.3	R173 E178 L180 A202	R173-L198 HydrophobicContact CB-CD1 4.43Å; R173-L198 HydrophobicContact CG-CD1 3.6Å; E178-L198 HydrophobicContact CB-CD1 3.94Å; L180-L198 HydrophobicContact CD2-CB 4.31Å; L180-L198 PolarHBondContact O-N 3.1Å; L198-A202 VanDerWaalsContact O-CB 3.32Å; L198-A202 WeakPolarHBondContact O-CB 3.42Å; L198-A202 PolarHBondContact O-N 3.36Å
199	G	86.5	Confident	85.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-48.8	172.5	0	0	0	0	0	112	L180 S197 A202 G203 L204	L180-G199 PolarHBondContact O-N 3.23Å; S197-G199 PolarHBondContact O-N 3.24Å; S197-G199 PolarHBondContact OG-N 3.44Å; G199-A202 PolarHBondContact O-N 3.27Å; G199-G203 PolarHBondContact O-N 2.83Å; G199-L204 WeakPolarHBondContact O-CB 3.4Å; G199-L204 PolarHBondContact O-N 3.17Å
200	E	88.1	Confident	85.4	Confident	99 Å²	99	55 Å²	55	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-64.4	-45.8	176.8	-170	-178.1	-157.4	0	0	111.1	V193 N196 S197 A202 G203	V193-E200 HydrophobicContact CG1-CB 3.8Å; V193-E200 VanDerWaalsContact CG1-N 3.29Å; N196-E200 PolarHBondContact N-OE2 3.39Å; S197-E200 PolarHBondContact O-N 3.27Å; S197-E200 PolarHBondContact OG-N 3.19Å; S197-E200 VanDerWaalsContact OG-N 3.16Å; E200-A202 VanDerWaalsContact C-N 3.26Å; E200-A202 PolarHBondContact O-N 3.32Å; E200-G203 WeakPolarHBondContact O-CA 3.47Å; E200-G203 PolarHBondContact O-N 2.78Å
201	Q	86.3	Confident	85.1	Confident	135 Å²	135	56.4 Å²	56.4	63%	0.631	31%	0.311	S	S	*	.	H	α-helix	trans	-62.1	-30.8	179.5	-70.9	174	34.5	0	0	113.3	N196 S197 G203	N196-Q201 PolarHBondContact O-NE2 2.84Å; S197-Q201 WeakPolarHBondContact O-CB 3.33Å; S197-Q201 VanDerWaalsContact O-CG 3.24Å; S197-Q201 WeakPolarHBondContact O-CG 3.4Å; S197-Q201 PolarHBondContact O-N 3.46Å; Q201-G203 VanDerWaalsContact C-N 3.33Å
202	A	84.8	Confident	84.7	Confident	30 Å²	30	58.4 Å²	58.4	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-81.9	-10.7	172.5	0	0	0	0	0	113.7	I169 H170 L171 L198 G199 E200	I169-A202 HydrophobicContact CG2-CB 3.96Å; H170-A202 WeakPolarHBondContact O-CB 3.31Å; L171-A202 HydrophobicContact CD2-CB 3.43Å; L171-A202 VanDerWaalsContact CD2-CB 3.43Å; L171-A202 HydrophobicContact CG-CB 4.19Å; L198-A202 VanDerWaalsContact O-CB 3.32Å; L198-A202 WeakPolarHBondContact O-CB 3.42Å; L198-A202 PolarHBondContact O-N 3.36Å; G199-A202 PolarHBondContact O-N 3.27Å; E200-A202 VanDerWaalsContact C-N 3.26Å; E200-A202 PolarHBondContact O-N 3.32Å
203	G	87.8	Confident	84.2	Confident	28 Å²	28	56.6 Å²	56.6	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	21.4	176.1	0	0	0	0	0	115.7	G199 E200 Q201 R241	G199-G203 PolarHBondContact O-N 2.83Å; E200-G203 WeakPolarHBondContact O-CA 3.47Å; E200-G203 PolarHBondContact O-N 2.78Å; Q201-G203 VanDerWaalsContact C-N 3.33Å; G203-R241 PolarHBondContact O-NH2 3.08Å
204	L	88.6	Confident	83.4	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.037	29%	0.292	C	S	.	.			trans	-67	149.3	165.3	-74.5	167.4	0	0	0	110.8	I169 L171 V182 V190 V193 G199 L237 V239	I169-L204 HydrophobicContact CD1-CD2 3.55Å; I169-L204 HydrophobicContact CD1-CG 4.01Å; I169-L204 HydrophobicContact CG2-CD2 4.32Å; I169-L204 HydrophobicContact CG2-CG 4.07Å; L171-L204 HydrophobicContact CD1-CD1 4.25Å; L171-L204 HydrophobicContact CD2-CD1 4.17Å; V182-L204 HydrophobicContact CG1-CD1 4.2Å; V182-L204 HydrophobicContact CG2-CD1 3.61Å; V190-L204 HydrophobicContact CG2-CD2 4.23Å; V193-L204 HydrophobicContact CG2-CB 4.21Å; G199-L204 WeakPolarHBondContact O-CB 3.4Å; G199-L204 PolarHBondContact O-N 3.17Å; L204-L237 HydrophobicContact CD1-CD1 4Å; L204-L237 HydrophobicContact CD2-CD1 3.93Å; L204-L237 HydrophobicContact CG-CD1 4.41Å; L204-V239 HydrophobicContact CD2-CG1 3.96Å
205	K	88.2	Confident	82.2	Confident	122 Å²	122	52.8 Å²	52.8	53%	0.53	29%	0.286	S	S	.	.			trans	-135.8	150.8	177.2	-61.5	-169.3	176.8	-160.3	0	110.5	V190 G207 D208	V190-K205 WeakPolarHBondContact CB-O 3.35Å; V190-K205 WeakPolarHBondContact CG1-O 3.34Å; K205-G207 PolarHBondContact O-N 2.89Å; K205-D208 PolarHBondContact N-OD2 3.37Å; K205-D208 VanDerWaalsContact O-CB 3.25Å; K205-D208 WeakPolarHBondContact O-CB 3.49Å; K205-D208 VanDerWaalsContact O-CG 3.3Å; K205-D208 PolarHBondContact O-N 3.49Å; K205-D208 VanDerWaalsContact O-N 3.08Å
206	S	85.7	Confident	80.9	Confident	84 Å²	84	46.6 Å²	46.6	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	137	165.3	179.9	0	0	0	0	110.3	A191 D208	A191-S206 WeakPolarHBondContact O-CB 3.35Å; A191-S206 PolarHBondContact O-OG 3.18Å; S206-D208 VanDerWaalsContact C-N 3.34Å
207	G	82	Confident	79.9	Confident	42 Å²	42	43.2 Å²	43.2	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-8	-174.9	0	0	0	0	0	115.5	V190 K205 R209	V190-G207 PolarHBondContact O-N 3.47Å; K205-G207 PolarHBondContact O-N 2.89Å; G207-R209 PolarHBondContact O-N 3.42Å
208	D	89.5	Confident	79.1	Confident	1 Å²	1	43 Å²	43	1%	0.005	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.7	126.9	171.9	-76.9	-21	0	0	0	110.5	T189 V190 K205 S206 V239 R241	T189-D208 CarbonylContact C-O 3.57Å; T189-D208 WeakPolarHBondContact CA-O 3.38Å; V190-D208 HydrophobicContact CB-CB 4.35Å; V190-D208 HydrophobicContact CG2-CB 4.07Å; V190-D208 WeakPolarHBondContact CG2-O 3.46Å; V190-D208 PolarHBondContact N-O 3.39Å; K205-D208 PolarHBondContact N-OD2 3.37Å; K205-D208 VanDerWaalsContact O-CB 3.25Å; K205-D208 WeakPolarHBondContact O-CB 3.49Å; K205-D208 VanDerWaalsContact O-CG 3.3Å; K205-D208 PolarHBondContact O-N 3.49Å; K205-D208 VanDerWaalsContact O-N 3.08Å; S206-D208 VanDerWaalsContact C-N 3.34Å; D208-V239 HydrophobicContact CB-CB 4.09Å; D208-V239 HydrophobicContact CB-CG1 4.4Å; D208-V239 HydrophobicContact CB-CG2 4.13Å; D208-R241 WeakPolarHBondContact OD1-CB 2.93Å; D208-R241 WeakPolarHBondContact OD1-CG 3.41Å; D208-R241 IonicContact OD1-CZ 3.67Å; D208-R241 IonicContact OD1-NE 2.76Å; D208-R241 PolarHBondContact OD1-NE 2.83Å; D208-R241 IonicContact OD1-NH2 2.75Å; D208-R241 PolarHBondContact OD1-NH2 2.92Å; D208-R241 IonicContact OD2-CZ 2.73Å; D208-R241 IonicContact OD2-NE 2.75Å; D208-R241 IonicContact OD2-NH2 3.27Å; D208-R241 PolarHBondContact OD2-NH2 2.79Å
209	R	83.7	Confident	77.5	Confident	91 Å²	91	42.8 Å²	42.8	34%	0.343	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.9	174.7	-173.9	177.8	175.7	-155.4	-9.3	110.7	G207 I211 V239 A240	G207-R209 PolarHBondContact O-N 3.42Å; R209-I211 HydrophobicContact CG-CD1 4.2Å; R209-I211 PolarHBondContact O-N 2.92Å; R209-V239 CarbonylContact O-C 3.51Å; R209-V239 VanDerWaalsContact O-CA 3.27Å; R209-V239 WeakPolarHBondContact O-CA 3.38Å; R209-A240 PolarHBondContact N-O 2.82Å; R209-A240 PolarHBondContact O-N 2.93Å
210	I	83.6	Confident	75.7	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	123.9	179.7	-45.6	177.3	0	0	0	109.5	L184 L188 R212 I213 T218 L237 V239	L184-I210 HydrophobicContact CD1-CD1 4.33Å; L184-I210 HydrophobicContact CD2-CD1 3.85Å; L188-I210 WeakPolarHBondContact O-CG1 3.49Å; L188-I210 PolarHBondContact O-N 2.89Å; I210-R212 WeakPolarHBondContact CG2-O 3.49Å; I210-I213 HydrophobicContact CG2-CD1 4.27Å; I210-I213 HydrophobicContact CG2-CG1 3.65Å; I210-T218 HydrophobicContact CB-CG2 4.27Å; I210-T218 HydrophobicContact CG2-CG2 3.71Å; I210-T218 PolarHBondContact O-OG1 3.42Å; I210-L237 HydrophobicContact CD1-CD1 4.36Å; I210-L237 HydrophobicContact CG2-CD2 4.07Å; I210-V239 HydrophobicContact CG1-CG1 4.2Å
211	I	78.2	Confident	74.5	Confident	31 Å²	31	40.6 Å²	40.6	16%	0.159	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-36.3	-178.6	-51.6	-56.8	0	0	0	111.7	L166 R209 T218 L238 A240	L166-I211 HydrophobicContact CD2-CG1 4.28Å; R209-I211 HydrophobicContact CG-CD1 4.2Å; R209-I211 PolarHBondContact O-N 2.92Å; I211-T218 VanDerWaalsContact C-OG1 3.25Å; I211-T218 WeakPolarHBondContact CA-OG1 3.38Å; I211-T218 PolarHBondContact O-N 2.88Å; I211-T218 PolarHBondContact O-OG1 3.49Å; I211-T218 VanDerWaalsContact O-OG1 3.08Å; I211-L238 WeakPolarHBondContact CA-O 3.35Å; I211-L238 WeakPolarHBondContact CB-O 3.17Å; I211-L238 PolarHBondContact N-O 3Å; I211-A240 HydrophobicContact CD1-CB 3.87Å; I211-A240 HydrophobicContact CG1-CB 3.81Å
212	R	74.9	Confident	73.4	Confident	67 Å²	67	35.3 Å²	35.3	25%	0.253	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.4	171.5	-61.5	-178.3	171.7	101.6	6.3	111.4	I210 G215 I216 L237 L238	I210-R212 WeakPolarHBondContact CG2-O 3.49Å; R212-G215 WeakPolarHBondContact CD-O 3.45Å; R212-I216 CarbonylContact C-O 3.57Å; R212-I216 VanDerWaalsContact CA-O 3.22Å; R212-I216 WeakPolarHBondContact CA-O 3.4Å; R212-L237 WeakPolarHBondContact O-CA 2.94Å; R212-L238 HydrophobicContact CB-CB 3.91Å; R212-L238 HydrophobicContact CG-CB 4.43Å; R212-L238 HydrophobicContact CG-CD2 4.34Å; R212-L238 PolarHBondContact N-O 3.49Å; R212-L238 VanDerWaalsContact N-O 3.14Å; R212-L238 PolarHBondContact O-N 3.19Å
213	I	75.2	Confident	72.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	109.3	170.1	-59.9	163.8	0	0	0	107.4	I210 I216 T218 L221 T226 M229 T235 I236 L237	I210-I213 HydrophobicContact CG2-CD1 4.27Å; I210-I213 HydrophobicContact CG2-CG1 3.65Å; I213-I216 PolarHBondContact N-O 3.14Å; I213-I216 PolarHBondContact O-N 3.48Å; I213-T218 HydrophobicContact CB-CG2 4.32Å; I213-T218 HydrophobicContact CD1-CG2 3.64Å; I213-T218 HydrophobicContact CG1-CG2 3.51Å; I213-L221 HydrophobicContact CD1-CD1 3.92Å; I213-T226 HydrophobicContact CD1-CG2 3.48Å; I213-T226 VanDerWaalsContact CD1-CG2 3.48Å; I213-M229 HydrophobicContact CB-CE 3.81Å; I213-M229 HydrophobicContact CG2-CB 3.85Å; I213-M229 HydrophobicContact CG2-CE 3.79Å; I213-M229 WeakPolarHBondContact O-CE 3.44Å; I213-T235 HydrophobicContact CG2-CG2 3.6Å; I213-I236 WeakPolarHBondContact CA-O 3.44Å; I213-L237 HydrophobicContact CB-CD2 4.1Å; I213-L237 HydrophobicContact CG1-CD2 3.6Å; I213-L237 HydrophobicContact CG2-CD2 3.97Å
214	N	69.3	Low	71.2	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	61.9	-171.1	-51.8	-47	0	0	0	110.2	I216 T235 I236	N214-I216 PolarHBondContact O-N 2.98Å; N214-T235 VanDerWaalsContact OD1-CA 3.3Å; N214-T235 WeakPolarHBondContact OD1-CA 3.49Å; N214-I236 PolarHBondContact N-O 3.41Å; N214-I236 PolarHBondContact OD1-N 3.17Å
215	G	61.1	Low	69.9	Low	29 Å²	29	39.7 Å²	39.7	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-31.8	177.5	0	0	0	0	0	116.3	R212 N217 D435	R212-G215 WeakPolarHBondContact CD-O 3.45Å; G215-N217 PolarHBondContact O-N 2.98Å; G215-D435 VanDerWaalsContact CA-OD1 3.29Å; G215-D435 WeakPolarHBondContact CA-OD1 3.46Å; G215-D435 WeakPolarHBondContact CA-OD2 3.45Å; G215-D435 VanDerWaalsContact N-CG 3.3Å; G215-D435 PolarHBondContact N-OD1 3.2Å; G215-D435 VanDerWaalsContact N-OD1 3.12Å; G215-D435 PolarHBondContact N-OD2 3.12Å
216	I	56.6	Low	69	Low	38 Å²	38	33.9 Å²	33.9	20%	0.195	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.3	-177.3	-65.9	158.5	0	0	0	108.9	R212 I213 N214 T218 L221 M229 F487 M491	R212-I216 CarbonylContact C-O 3.57Å; R212-I216 VanDerWaalsContact CA-O 3.22Å; R212-I216 WeakPolarHBondContact CA-O 3.4Å; I213-I216 PolarHBondContact N-O 3.14Å; I213-I216 PolarHBondContact O-N 3.48Å; N214-I216 PolarHBondContact O-N 2.98Å; I216-T218 PolarHBondContact O-N 3.27Å; I216-L221 HydrophobicContact CG2-CD1 4.12Å; I216-L221 HydrophobicContact CG2-CD2 4.11Å; I216-L221 HydrophobicContact CG2-CG 4.33Å; I216-M229 HydrophobicContact CB-CE 3.9Å; I216-M229 HydrophobicContact CD1-CE 3.46Å; I216-M229 VanDerWaalsContact CD1-CE 3.46Å; I216-M229 HydrophobicContact CD1-SD 4.33Å; I216-M229 HydrophobicContact CG1-CE 4.26Å; I216-M229 HydrophobicContact CG2-CE 4.12Å; I216-F487 HydrophobicContact CG1-CZ 4.35Å; I216-M491 HydrophobicContact CD1-CE 4.18Å
217	N	59.4	Low	68.2	Low	57 Å²	57	30.4 Å²	30.4	31%	0.305	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	121.7	172.3	-177.1	-8.4	0	0	0	109.2	G215 A219	G215-N217 PolarHBondContact O-N 2.98Å; N217-A219 PolarHBondContact O-N 2.89Å; N217-A219 VanDerWaalsContact OD1-CB 3.31Å; N217-A219 WeakPolarHBondContact OD1-CB 3.21Å; N217-A219 PolarHBondContact OD1-N 3.21Å; N217-A219 VanDerWaalsContact OD1-N 3.07Å
218	T	67.6	Low	67.3	Low	8 Å²	8	31.3 Å²	31.3	5%	0.049	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-72.2	-12.6	-175.4	53.5	0	0	0	0	114.1	L188 I210 I211 I213 I216 H220 L221	L188-T218 HydrophobicContact CD1-CG2 4.36Å; L188-T218 WeakPolarHBondContact CD1-O 3.47Å; I210-T218 HydrophobicContact CB-CG2 4.27Å; I210-T218 HydrophobicContact CG2-CG2 3.71Å; I210-T218 PolarHBondContact O-OG1 3.42Å; I211-T218 VanDerWaalsContact C-OG1 3.25Å; I211-T218 WeakPolarHBondContact CA-OG1 3.38Å; I211-T218 PolarHBondContact O-N 2.88Å; I211-T218 PolarHBondContact O-OG1 3.49Å; I211-T218 VanDerWaalsContact O-OG1 3.08Å; I213-T218 HydrophobicContact CB-CG2 4.32Å; I213-T218 HydrophobicContact CD1-CG2 3.64Å; I213-T218 HydrophobicContact CG1-CG2 3.51Å; I216-T218 PolarHBondContact O-N 3.27Å; T218-H220 PolarHBondContact O-N 3.23Å; T218-L221 HydrophobicContact CG2-CD1 4.22Å; T218-L221 PolarHBondContact O-N 3.28Å
219	A	50.4	Low	66.4	Low	25 Å²	25	32.1 Å²	32.1	21%	0.207	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-53.3	-26.6	-173	0	0	0	0	0	114.3	N217 S536	N217-A219 PolarHBondContact O-N 2.89Å; N217-A219 VanDerWaalsContact OD1-CB 3.31Å; N217-A219 WeakPolarHBondContact OD1-CB 3.21Å; N217-A219 PolarHBondContact OD1-N 3.21Å; N217-A219 VanDerWaalsContact OD1-N 3.07Å; A219-S536 WeakPolarHBondContact O-CB 3.43Å; A219-S536 PolarHBondContact O-OG 2.86Å
220	H	49.6	Very low	65.9	Low	27 Å²	27	28.6 Å²	28.6	13%	0.125	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-108.3	-6.9	-178.8	-56	-63.1	0	0	0	114.2	T218 S222 M540 A566	T218-H220 PolarHBondContact O-N 3.23Å; H220-S222 PolarHBondContact O-N 2.92Å; H220-M540 VanDerWaalsContact CE1-CG 3.45Å; H220-M540 WeakPolarHBondContact CE1-CG 3.33Å; H220-M540 PolarHBondContact CE1-SD 3.38Å; H220-M540 WeakPolarHBondContact NE2-CE 3.48Å; H220-M540 PolarHBondContact NE2-SD 3.49Å; H220-A566 HydrophobicContact CB-CB 4.17Å
221	L	62	Low	65.1	Low	25 Å²	25	33.1 Å²	33.1	13%	0.131	18%	0.176	C	C	.	.			trans	-74	121	-179.6	-60.5	180	0	0	0	108.5	L188 I213 I216 T218 D225 T226 M229	L188-L221 HydrophobicContact CD1-CB 4.33Å; I213-L221 HydrophobicContact CD1-CD1 3.92Å; I216-L221 HydrophobicContact CG2-CD1 4.12Å; I216-L221 HydrophobicContact CG2-CD2 4.11Å; I216-L221 HydrophobicContact CG2-CG 4.33Å; T218-L221 HydrophobicContact CG2-CD1 4.22Å; T218-L221 PolarHBondContact O-N 3.28Å; L221-D225 HydrophobicContact CB-CB 4.36Å; L221-D225 HydrophobicContact CD2-CB 4.17Å; L221-T226 VanDerWaalsContact CB-OG1 3.25Å; L221-T226 WeakPolarHBondContact CB-OG1 3.42Å; L221-M229 HydrophobicContact CD1-CE 3.74Å; L221-M229 HydrophobicContact CD1-SD 3.54Å; L221-M229 VanDerWaalsContact CD1-SD 3.54Å; L221-M229 HydrophobicContact CD2-SD 3.72Å; L221-M229 HydrophobicContact CG-SD 4.29Å
222	S	63.3	Low	64.6	Low	25 Å²	25	36.1 Å²	36.1	18%	0.175	19%	0.185	C	C	.	.			trans	-59.6	162.5	166.4	69.6	0	0	0	0	110.1	H220 I224 D225 T226	H220-S222 PolarHBondContact O-N 2.92Å; S222-I224 PolarHBondContact O-N 3.47Å; S222-I224 WeakPolarHBondContact OG-CG2 3.41Å; S222-I224 PolarHBondContact OG-N 3.01Å; S222-D225 PolarHBondContact O-N 3.24Å; S222-D225 WeakPolarHBondContact OG-CB 3.25Å; S222-D225 VanDerWaalsContact OG-CG 3.23Å; S222-D225 PolarHBondContact OG-N 2.89Å; S222-D225 PolarHBondContact OG-OD2 3.41Å; S222-T226 WeakPolarHBondContact O-CB 3.37Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-T226 PolarHBondContact O-OG1 3.41Å
223	L	63.6	Low	63.8	Low	57 Å²	57	38.8 Å²	38.8	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-55.9	-34	172.1	-81.5	164.1	0	0	0	111.7	L184 L188 A227 V260	L184-L223 HydrophobicContact CB-CD2 3.84Å; L188-L223 HydrophobicContact CD2-CD2 3.65Å; L188-L223 HydrophobicContact CD2-CG 4.25Å; L223-A227 VanDerWaalsContact O-CB 3.25Å; L223-A227 WeakPolarHBondContact O-CB 3.42Å; L223-A227 PolarHBondContact O-N 3.16Å; L223-V260 HydrophobicContact CB-CG2 3.98Å; L223-V260 HydrophobicContact CD2-CG2 3.96Å; L223-V260 HydrophobicContact CG-CG2 4.38Å
224	I	62.3	Low	63.6	Low	67 Å²	67	41.6 Å²	41.6	34%	0.344	21%	0.214	S	C	.	.	H	α-helix	trans	-75.2	-38.8	178	-170.5	63.1	0	0	0	112.8	S222 A227 N228	S222-I224 PolarHBondContact O-N 3.47Å; S222-I224 WeakPolarHBondContact OG-CG2 3.41Å; S222-I224 PolarHBondContact OG-N 3.01Å; I224-A227 PolarHBondContact O-N 2.83Å; I224-N228 WeakPolarHBondContact O-CB 3.36Å; I224-N228 PolarHBondContact O-N 2.9Å; I224-N228 PolarHBondContact O-ND2 3.33Å; I224-N228 VanDerWaalsContact O-ND2 3.09Å
225	D	61.6	Low	63.8	Low	32 Å²	32	41.5 Å²	41.5	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-42.1	174	-66.5	-56	0	0	0	111.2	L221 S222 N228 M229 R593	L221-D225 HydrophobicContact CB-CB 4.36Å; L221-D225 HydrophobicContact CD2-CB 4.17Å; S222-D225 PolarHBondContact O-N 3.24Å; S222-D225 WeakPolarHBondContact OG-CB 3.25Å; S222-D225 VanDerWaalsContact OG-CG 3.23Å; S222-D225 PolarHBondContact OG-N 2.89Å; S222-D225 PolarHBondContact OG-OD2 3.41Å; D225-N228 WeakPolarHBondContact O-CB 3.49Å; D225-N228 PolarHBondContact O-N 2.83Å; D225-M229 VanDerWaalsContact O-CG 3.31Å; D225-M229 WeakPolarHBondContact O-CG 3.44Å; D225-M229 PolarHBondContact O-N 2.79Å; D225-R593 IonicContact OD1-CZ 3.4Å; D225-R593 IonicContact OD1-NH1 2.69Å; D225-R593 PolarHBondContact OD1-NH1 2.99Å; D225-R593 IonicContact OD1-NH2 3.72Å
226	T	69.9	Low	64.7	Low	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-49.1	172.5	-63.1	0	0	0	0	111.1	L184 L188 I213 L221 S222 N228 M229 L230	L184-T226 HydrophobicContact CD1-CG2 3.65Å; L188-T226 HydrophobicContact CD1-CG2 4.37Å; L188-T226 VanDerWaalsContact CD1-OG1 3.26Å; L188-T226 WeakPolarHBondContact CD1-OG1 3.4Å; L188-T226 HydrophobicContact CD2-CG2 3.81Å; L188-T226 WeakPolarHBondContact CD2-OG1 3.26Å; I213-T226 HydrophobicContact CD1-CG2 3.48Å; I213-T226 VanDerWaalsContact CD1-CG2 3.48Å; L221-T226 VanDerWaalsContact CB-OG1 3.25Å; L221-T226 WeakPolarHBondContact CB-OG1 3.42Å; S222-T226 WeakPolarHBondContact O-CB 3.37Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-T226 PolarHBondContact O-OG1 3.41Å; T226-N228 VanDerWaalsContact C-N 3.33Å; T226-N228 PolarHBondContact O-N 2.88Å; T226-M229 PolarHBondContact O-N 3.37Å; T226-L230 HydrophobicContact CG2-CD1 3.62Å; T226-L230 HydrophobicContact CG2-CG 4.33Å; T226-L230 WeakPolarHBondContact O-CB 3.32Å; T226-L230 VanDerWaalsContact O-CG 3.31Å; T226-L230 WeakPolarHBondContact O-CG 3.35Å; T226-L230 PolarHBondContact O-N 2.93Å
227	A	68.3	Low	66.1	Low	11 Å²	11	39.4 Å²	39.4	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-41.2	175.8	0	0	0	0	0	112.1	L223 I224 M229 L230 R231 V260	L223-A227 VanDerWaalsContact O-CB 3.25Å; L223-A227 WeakPolarHBondContact O-CB 3.42Å; L223-A227 PolarHBondContact O-N 3.16Å; I224-A227 PolarHBondContact O-N 2.83Å; A227-M229 VanDerWaalsContact C-N 3.33Å; A227-M229 PolarHBondContact O-N 3.47Å; A227-L230 PolarHBondContact O-N 2.88Å; A227-R231 VanDerWaalsContact O-CG 3.26Å; A227-R231 WeakPolarHBondContact O-CG 3.38Å; A227-R231 PolarHBondContact O-N 3.24Å; A227-V260 HydrophobicContact CB-CG1 4.28Å
228	N	63.3	Low	67.1	Low	61 Å²	61	38.1 Å²	38.1	33%	0.326	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-36.3	175.5	-74.7	-33	0	0	0	112.8	I224 D225 T226 R231	I224-N228 WeakPolarHBondContact O-CB 3.36Å; I224-N228 PolarHBondContact O-N 2.9Å; I224-N228 PolarHBondContact O-ND2 3.33Å; I224-N228 VanDerWaalsContact O-ND2 3.09Å; D225-N228 WeakPolarHBondContact O-CB 3.49Å; D225-N228 PolarHBondContact O-N 2.83Å; T226-N228 VanDerWaalsContact C-N 3.33Å; T226-N228 PolarHBondContact O-N 2.88Å; N228-R231 PolarHBondContact O-N 3.35Å; N228-R231 PolarHBondContact OD1-NH1 3.29Å
229	M	69.9	Low	68.1	Low	19 Å²	19	37.8 Å²	37.8	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-74.8	-38.5	177.5	-70.8	173	55.1	0	0	112.2	I213 I216 L221 D225 T226 A227 R231 R232 T235	I213-M229 HydrophobicContact CB-CE 3.81Å; I213-M229 HydrophobicContact CG2-CB 3.85Å; I213-M229 HydrophobicContact CG2-CE 3.79Å; I213-M229 WeakPolarHBondContact O-CE 3.44Å; I216-M229 HydrophobicContact CB-CE 3.9Å; I216-M229 HydrophobicContact CD1-CE 3.46Å; I216-M229 VanDerWaalsContact CD1-CE 3.46Å; I216-M229 HydrophobicContact CD1-SD 4.33Å; I216-M229 HydrophobicContact CG1-CE 4.26Å; I216-M229 HydrophobicContact CG2-CE 4.12Å; L221-M229 HydrophobicContact CD1-CE 3.74Å; L221-M229 HydrophobicContact CD1-SD 3.54Å; L221-M229 VanDerWaalsContact CD1-SD 3.54Å; L221-M229 HydrophobicContact CD2-SD 3.72Å; L221-M229 HydrophobicContact CG-SD 4.29Å; D225-M229 VanDerWaalsContact O-CG 3.31Å; D225-M229 WeakPolarHBondContact O-CG 3.44Å; D225-M229 PolarHBondContact O-N 2.79Å; T226-M229 PolarHBondContact O-N 3.37Å; A227-M229 VanDerWaalsContact C-N 3.33Å; A227-M229 PolarHBondContact O-N 3.47Å; M229-R231 PolarHBondContact O-N 3.38Å; M229-R232 WeakPolarHBondContact O-CB 3.38Å; M229-R232 WeakPolarHBondContact O-CG 3.3Å; M229-R232 PolarHBondContact O-N 3.26Å; M229-T235 PolarHBondContact O-OG1 2.98Å
230	L	73.1	Confident	69.6	Low	16 Å²	16	37.3 Å²	37.3	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-17.4	171.7	-74.4	168.4	0	0	0	113.6	L171 L180 L184 T226 A227 R232 T235 L237	L171-L230 HydrophobicContact CD1-CD2 3.82Å; L180-L230 HydrophobicContact CD1-CB 3.75Å; L180-L230 HydrophobicContact CD1-CD2 4.04Å; L180-L230 HydrophobicContact CD1-CG 4.36Å; L184-L230 HydrophobicContact CD1-CD1 3.77Å; T226-L230 HydrophobicContact CG2-CD1 3.62Å; T226-L230 HydrophobicContact CG2-CG 4.33Å; T226-L230 WeakPolarHBondContact O-CB 3.32Å; T226-L230 VanDerWaalsContact O-CG 3.31Å; T226-L230 WeakPolarHBondContact O-CG 3.35Å; T226-L230 PolarHBondContact O-N 2.93Å; A227-L230 PolarHBondContact O-N 2.88Å; L230-R232 PolarHBondContact O-N 2.82Å; L230-T235 HydrophobicContact CD2-CG2 4.23Å; L230-L237 HydrophobicContact CD2-CD1 4.16Å; L230-L237 HydrophobicContact CD2-CD2 3.83Å; L230-L237 HydrophobicContact CD2-CG 4.5Å
231	R	67.9	Low	71.2	Confident	96 Å²	96	38.7 Å²	38.7	36%	0.362	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.4	173.9	-79.3	170.6	-163.5	163.5	-1.6	114.5	A227 N228 M229	A227-R231 VanDerWaalsContact O-CG 3.26Å; A227-R231 WeakPolarHBondContact O-CG 3.38Å; A227-R231 PolarHBondContact O-N 3.24Å; N228-R231 PolarHBondContact O-N 3.35Å; N228-R231 PolarHBondContact OD1-NH1 3.29Å; M229-R231 PolarHBondContact O-N 3.38Å
232	R	66.3	Low	71.6	Confident	94 Å²	94	41.6 Å²	41.6	36%	0.355	20%	0.202	S	C	.	.	S	Bend	trans	-68.5	151.6	178.1	-66.6	177	177.9	-173.7	2	111.4	M229 L230 E234	M229-R232 WeakPolarHBondContact O-CB 3.38Å; M229-R232 WeakPolarHBondContact O-CG 3.3Å; M229-R232 PolarHBondContact O-N 3.26Å; L230-R232 PolarHBondContact O-N 2.82Å; R232-E234 PolarHBondContact O-N 2.73Å
233	Q	58.2	Low	71.1	Confident	123 Å²	123	45.2 Å²	45.2	58%	0.575	22%	0.223	S	C	*	.	S	Bend	trans	-64.5	-27.9	179.7	-78.4	178.4	-56	0	0	113.3	K172 R173 R174	K172-Q233 CarbonylContact C-O 3.53Å; R173-Q233 PolarHBondContact N-O 2.69Å; R173-Q233 VanDerWaalsContact O-O 3.09Å; R174-Q233 PolarHBondContact O-NE2 3.16Å
234	E	71.7	Confident	70	Confident	60 Å²	60	47.9 Å²	47.9	28%	0.28	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124.5	176.7	-167	151.2	-129.6	0	0	107.5	L171 K172 R232 G432	L171-E234 WeakPolarHBondContact O-CA 2.9Å; K172-E234 IonicContact NZ-OE1 3.91Å; K172-E234 PolarHBondContact NZ-OE1 3.21Å; K172-E234 IonicContact NZ-OE2 3.95Å; R232-E234 PolarHBondContact O-N 2.73Å; E234-G432 VanDerWaalsContact OE2-CA 3.3Å; E234-G432 WeakPolarHBondContact OE2-CA 3.05Å
235	T	73.9	Confident	68.7	Low	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.3	-175.5	-58.1	0	0	0	0	110.3	L171 I213 N214 M229 L230 L237	L171-T235 PolarHBondContact N-O 3.37Å; L171-T235 PolarHBondContact O-N 3.2Å; I213-T235 HydrophobicContact CG2-CG2 3.6Å; N214-T235 VanDerWaalsContact OD1-CA 3.3Å; N214-T235 WeakPolarHBondContact OD1-CA 3.49Å; M229-T235 PolarHBondContact O-OG1 2.98Å; L230-T235 HydrophobicContact CD2-CG2 4.23Å; T235-L237 HydrophobicContact CG2-CD2 3.81Å; T235-L237 HydrophobicContact CG2-CG 4.43Å
236	I	79.6	Confident	67.2	Low	23 Å²	23	60 Å²	60	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.8	174.4	-55.7	176.4	0	0	0	108.2	E168 I213 N214	E168-I236 HydrophobicContact CG-CG2 3.6Å; I213-I236 WeakPolarHBondContact CA-O 3.44Å; N214-I236 PolarHBondContact N-O 3.41Å; N214-I236 PolarHBondContact OD1-N 3.17Å
237	L	85.7	Confident	65.2	Low	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.1	176.4	-57	-175.9	0	0	0	110	E168 I169 L171 L204 I210 R212 I213 L230 T235 V239	E168-L237 CarbonylContact C-O 3.49Å; E168-L237 WeakPolarHBondContact CA-O 3.43Å; I169-L237 HydrophobicContact CB-CB 4.19Å; I169-L237 PolarHBondContact N-O 2.97Å; I169-L237 PolarHBondContact O-N 3.27Å; L171-L237 HydrophobicContact CD1-CD1 3.47Å; L171-L237 VanDerWaalsContact CD1-CD1 3.47Å; L171-L237 HydrophobicContact CD1-CG 3.98Å; L171-L237 HydrophobicContact CG-CD1 4.25Å; L204-L237 HydrophobicContact CD1-CD1 4Å; L204-L237 HydrophobicContact CD2-CD1 3.93Å; L204-L237 HydrophobicContact CG-CD1 4.41Å; I210-L237 HydrophobicContact CD1-CD1 4.36Å; I210-L237 HydrophobicContact CG2-CD2 4.07Å; R212-L237 WeakPolarHBondContact O-CA 2.94Å; I213-L237 HydrophobicContact CB-CD2 4.1Å; I213-L237 HydrophobicContact CG1-CD2 3.6Å; I213-L237 HydrophobicContact CG2-CD2 3.97Å; L230-L237 HydrophobicContact CD2-CD1 4.16Å; L230-L237 HydrophobicContact CD2-CD2 3.83Å; L230-L237 HydrophobicContact CD2-CG 4.5Å; T235-L237 HydrophobicContact CG2-CD2 3.81Å; T235-L237 HydrophobicContact CG2-CG 4.43Å; L237-V239 HydrophobicContact CB-CG1 4.19Å
238	L	81.8	Confident	63.2	Low	31 Å²	31	75.6 Å²	75.6	16%	0.162	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.3	161.4	-172.9	68.1	0	0	0	107.6	L166 I211 R212	L166-L238 HydrophobicContact CB-CD1 4.26Å; L166-L238 HydrophobicContact CD2-CG 4.5Å; I211-L238 WeakPolarHBondContact CA-O 3.35Å; I211-L238 WeakPolarHBondContact CB-O 3.17Å; I211-L238 PolarHBondContact N-O 3Å; R212-L238 HydrophobicContact CB-CB 3.91Å; R212-L238 HydrophobicContact CG-CB 4.43Å; R212-L238 HydrophobicContact CG-CD2 4.34Å; R212-L238 PolarHBondContact N-O 3.49Å; R212-L238 VanDerWaalsContact N-O 3.14Å; R212-L238 PolarHBondContact O-N 3.19Å
239	V	88.1	Confident	61.5	Low	0 Å²	0	81.6 Å²	81.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.9	179.2	-53.4	0	0	0	0	111.6	L166 V167 I169 L204 D208 R209 I210 L237	L166-V239 CarbonylContact C-O 3.53Å; L166-V239 WeakPolarHBondContact CA-O 3.32Å; V167-V239 HydrophobicContact CB-CG2 3.96Å; V167-V239 PolarHBondContact N-O 3.08Å; V167-V239 PolarHBondContact O-N 3.18Å; I169-V239 HydrophobicContact CD1-CG1 4.13Å; I169-V239 HydrophobicContact CD1-CG2 3.57Å; I169-V239 HydrophobicContact CG1-CG2 4.38Å; L204-V239 HydrophobicContact CD2-CG1 3.96Å; D208-V239 HydrophobicContact CB-CB 4.09Å; D208-V239 HydrophobicContact CB-CG1 4.4Å; D208-V239 HydrophobicContact CB-CG2 4.13Å; R209-V239 CarbonylContact O-C 3.51Å; R209-V239 VanDerWaalsContact O-CA 3.27Å; R209-V239 WeakPolarHBondContact O-CA 3.38Å; I210-V239 HydrophobicContact CG1-CG1 4.2Å; L237-V239 HydrophobicContact CB-CG1 4.19Å
240	A	82.7	Confident	59.4	Low	16 Å²	16	86.8 Å²	86.8	13%	0.132	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.8	167.5	0	0	0	0	0	109.1	P164 L166 R209 I211	P164-A240 HydrophobicContact CB-CB 4.35Å; L166-A240 HydrophobicContact CD2-CB 4.01Å; R209-A240 PolarHBondContact N-O 2.82Å; R209-A240 PolarHBondContact O-N 2.93Å; I211-A240 HydrophobicContact CD1-CB 3.87Å; I211-A240 HydrophobicContact CG1-CB 3.81Å
241	R	82.9	Confident	57.1	Low	56 Å²	56	91.5 Å²	91.5	21%	0.211	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.9	-178.4	-177.8	173.2	-68.6	164.2	-1.7	109.9	P164 R165 V167 G203 D208	P164-R241 CarbonylContact C-O 3.6Å; P164-R241 WeakPolarHBondContact CA-O 3.3Å; R165-R241 PolarHBondContact N-O 2.81Å; R165-R241 PolarHBondContact O-N 2.87Å; V167-R241 HydrophobicContact CG2-CB 4.29Å; G203-R241 PolarHBondContact O-NH2 3.08Å; D208-R241 WeakPolarHBondContact OD1-CB 2.93Å; D208-R241 WeakPolarHBondContact OD1-CG 3.41Å; D208-R241 IonicContact OD1-CZ 3.67Å; D208-R241 IonicContact OD1-NE 2.76Å; D208-R241 PolarHBondContact OD1-NE 2.83Å; D208-R241 IonicContact OD1-NH2 2.75Å; D208-R241 PolarHBondContact OD1-NH2 2.92Å; D208-R241 IonicContact OD2-CZ 2.73Å; D208-R241 IonicContact OD2-NE 2.75Å; D208-R241 IonicContact OD2-NH2 3.27Å; D208-R241 PolarHBondContact OD2-NH2 2.79Å
242	N	69.8	Low	55	Low	86 Å²	86	93.4 Å²	93.4	46%	0.46	48%	0.475	S	S	.	.			trans	-83.5	135.5	175.5	-160.7	-0.9	0	0	0	110.4	L244	N242-L244 VanDerWaalsContact C-N 3.34Å
243	T	51.9	Low	53	Low	101 Å²	101	95.2 Å²	95.2	62%	0.62	49%	0.492	S	S	*	.	S	Bend	trans	-82.9	-9.1	-173.7	4	0	0	0	0	114.1
244	L	41.3	Very low	51.5	Low	113 Å²	113	98 Å²	98	59%	0.592	50%	0.502	S	S	*	.			trans	-125.3	85.6	-176.8	-75.6	164.1	0	0	0	110.9	N242	N242-L244 VanDerWaalsContact C-N 3.34Å
245	M	34.4	Very low	49.1	Very low	159 Å²	159	99.2 Å²	99.2	78%	0.783	53%	0.531	S	S	*	.			trans	-131.4	89.1	157.9	-73.6	-65.8	160	0	0	107.3
246	K	30.7	Very low	46.9	Very low	194 Å²	194	104.7 Å²	104.7	84%	0.843	57%	0.565	S	S	*	*			trans	-81.5	145.8	161.1	-79.8	-177.5	175.8	177.3	0	107.7
247	E	27.1	Very low	44.2	Very low	181 Å²	181	108.4 Å²	108.4	85%	0.846	59%	0.588	S	S	*	*	S	Bend	trans	-52	147.5	174.9	-60.4	159.1	146.4	0	0	111
248	N	26.5	Very low	41.4	Very low	158 Å²	158	112.5 Å²	112.5	85%	0.845	62%	0.615	S	S	*	*			trans	88.9	59	-176.3	-46	-60.8	0	0	0	117.6
249	E	28.4	Very low	38.8	Very low	187 Å²	187	115.9 Å²	115.9	87%	0.874	63%	0.633	S	S	*	*			trans	-152.6	67	146	-123.4	171.2	-139.4	0	0	110.9	C251	E249-C251 VanDerWaalsContact C-N 3.32Å; E249-C251 PolarHBondContact O-N 3.2Å
250	V	25.1	Very low	36	Very low	127 Å²	127	117 Å²	117	77%	0.77	64%	0.639	S	S	*	*			trans	-73.9	91	166.9	179.5	0	0	0	0	107.3	D252	V250-D252 VanDerWaalsContact C-N 3.33Å; V250-D252 PolarHBondContact O-N 2.65Å; V250-D252 VanDerWaalsContact O-N 3.16Å
251	C	25	Very low	33.3	Very low	116 Å²	116	120 Å²	120	78%	0.784	65%	0.654	S	S	*	*			trans	-86.6	79.9	175.8	-151.5	0	0	0	0	109.3	E249 N253	E249-C251 VanDerWaalsContact C-N 3.32Å; E249-C251 PolarHBondContact O-N 3.2Å; C251-N253 PolarHBondContact O-N 3.38Å; C251-N253 VanDerWaalsContact O-N 3.11Å
252	D	23.4	Very low	30.8	Very low	135 Å²	135	119 Å²	119	72%	0.722	66%	0.655	S	S	*	*			trans	-56.4	109.2	168.6	-75	-43.6	0	0	0	109.9	V250	V250-D252 VanDerWaalsContact C-N 3.33Å; V250-D252 PolarHBondContact O-N 2.65Å; V250-D252 VanDerWaalsContact O-N 3.16Å
253	N	25.4	Very low	28.9	Very low	132 Å²	132	119.4 Å²	119.4	71%	0.706	66%	0.664	S	S	*	*			trans	-165.9	141.7	155.3	-93.9	-51.6	0	0	0	110.4	C251	C251-N253 PolarHBondContact O-N 3.38Å; C251-N253 VanDerWaalsContact O-N 3.11Å
254	F	25.8	Very low	27.8	Very low	182 Å²	182	118.2 Å²	118.2	80%	0.798	66%	0.66	S	S	*	*	S	Bend	trans	70.6	87.7	-175.3	-50.7	-73.1	0	0	0	115.1	T256	F254-T256 PolarHBondContact O-N 3.29Å
255	G	21.9	Very low	27.2	Very low	85 Å²	85	115.3 Å²	115.3	88%	0.876	65%	0.647	S	S	*	*			trans	-61.2	126.6	177.6	0	0	0	0	0	113.1
256	T	26.5	Very low	26.7	Very low	117 Å²	117	112.2 Å²	112.2	72%	0.718	64%	0.639	S	S	*	*			trans	-136.6	135.9	165.9	46.2	0	0	0	0	108.2	F254	F254-T256 PolarHBondContact O-N 3.29Å
257	T	24.4	Very low	26.6	Very low	100 Å²	100	107.6 Å²	107.6	61%	0.613	64%	0.637	S	S	*	*			trans	-76.8	138.7	-176.2	41.8	0	0	0	0	111.6	L259	T257-L259 PolarHBondContact O-N 3.14Å
258	P	25.6	Very low	26.6	Very low	86 Å²	86	103.7 Å²	103.7	56%	0.558	62%	0.621	S	S	*	*			trans	-67.4	127.4	174.1	26.3	-31.9	0	0	0	110.4	E183	E183-P258 WeakPolarHBondContact OE1-CB 3.3Å
259	L	28	Very low	26.7	Very low	103 Å²	103	100.9 Å²	100.9	54%	0.539	61%	0.606	S	S	.	*			trans	-139.7	21	-164.5	-88.7	174.6	0	0	0	116.3	T257 L272	T257-L259 PolarHBondContact O-N 3.14Å; L259-L272 HydrophobicContact CD2-CD2 4.24Å
260	V	29.9	Very low	26.6	Very low	22 Å²	22	95.3 Å²	95.3	13%	0.133	59%	0.588	C	S	.	*			trans	-141.7	98.3	162.7	-169.3	0	0	0	0	111.1	L223 A227	L223-V260 HydrophobicContact CB-CG2 3.98Å; L223-V260 HydrophobicContact CD2-CG2 3.96Å; L223-V260 HydrophobicContact CG-CG2 4.38Å; A227-V260 HydrophobicContact CB-CG1 4.28Å
261	N	26.2	Very low	26.8	Very low	81 Å²	81	93 Å²	93	43%	0.433	58%	0.577	S	S	.	*			trans	-95	134.1	157.7	-144.2	-21.2	0	0	0	108.9	S263 S264	N261-S263 PolarHBondContact O-N 3.44Å; N261-S264 WeakPolarHBondContact CB-OG 3.38Å; N261-S264 PolarHBondContact O-N 3.18Å
262	S	28.8	Very low	27.1	Very low	33 Å²	33	91.9 Å²	91.9	23%	0.231	56%	0.563	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	-0.9	-165.6	64.6	0	0	0	0	115.6	S179 L180 G181	S179-S262 WeakPolarHBondContact CB-OG 3.33Å; L180-S262 PolarHBondContact N-OG 3.32Å; L180-S262 VanDerWaalsContact N-OG 3.14Å; G181-S262 PolarHBondContact N-OG 3.1Å
263	S	30.1	Very low	27.3	Very low	95 Å²	95	93.8 Å²	93.8	66%	0.664	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	-5.3	-176.9	53.7	0	0	0	0	115.2	N261	N261-S263 PolarHBondContact O-N 3.44Å
264	S	28.8	Very low	27.3	Very low	76 Å²	76	92.7 Å²	92.7	53%	0.531	57%	0.57	S	S	.	*			trans	-124.3	27.3	-157.9	75.3	0	0	0	0	117.3	N261	N261-S264 WeakPolarHBondContact CB-OG 3.38Å; N261-S264 PolarHBondContact O-N 3.18Å
265	V	28.2	Very low	27.7	Very low	52 Å²	52	92.6 Å²	92.6	32%	0.315	57%	0.572	S	S	.	*			trans	-109.9	107.1	175.4	-175.3	0	0	0	0	110.3
266	P	25.2	Very low	28.1	Very low	95 Å²	95	93.2 Å²	93.2	62%	0.617	55%	0.552	S	S	*	*			trans	-63.2	158.2	172.1	-19.4	32.4	0	0	0	111.9	N268	P266-N268 PolarHBondContact O-N 2.84Å; P266-N268 VanDerWaalsContact O-N 3.08Å
267	A	28.3	Very low	28.1	Very low	96 Å²	96	94.9 Å²	94.9	79%	0.793	56%	0.556	S	S	*	*	S	Bend	trans	-70.2	-1.5	-178.1	0	0	0	0	0	115.2
268	N	27.8	Very low	28.2	Very low	99 Å²	99	92.7 Å²	92.7	53%	0.529	55%	0.553	S	S	.	*			trans	-105.7	110.5	176	-87.2	-12	0	0	0	110.7	P266	P266-N268 PolarHBondContact O-N 2.84Å; P266-N268 VanDerWaalsContact O-N 3.08Å
269	L	26.9	Very low	28.3	Very low	99 Å²	99	95.5 Å²	95.5	52%	0.518	56%	0.563	S	S	.	*			trans	-105.1	55.9	174.5	-86.6	163	0	0	0	111.3	L272	L269-L272 HydrophobicContact CD2-CB 4.26Å; L269-L272 HydrophobicContact CD2-CD1 3.74Å
270	S	27.8	Very low	28.3	Very low	70 Å²	70	96.6 Å²	96.6	49%	0.49	57%	0.566	S	S	.	*	S	Bend	trans	-115	-10.8	172.9	-47.4	0	0	0	0	113.2	F600	S270-F600 WeakPolarHBondContact OG-CD2 3.21Å; S270-F600 VanDerWaalsContact OG-CE2 3.23Å; S270-F600 WeakPolarHBondContact OG-CE2 3.23Å
271	S	29.2	Very low	28.3	Very low	78 Å²	78	102.5 Å²	102.5	55%	0.545	59%	0.59	S	S	.	*	S	Bend	trans	-108.1	-2.8	-175.4	58	0	0	0	0	115.3
272	L	30	Very low	28.3	Very low	94 Å²	94	108.6 Å²	108.6	49%	0.492	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.1	16.9	-173.9	-87.6	165.4	0	0	0	114.7	L259 L269	L259-L272 HydrophobicContact CD2-CD2 4.24Å; L269-L272 HydrophobicContact CD2-CB 4.26Å; L269-L272 HydrophobicContact CD2-CD1 3.74Å
273	L	28.2	Very low	28.2	Very low	174 Å²	174	112.5 Å²	112.5	91%	0.911	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	4.6	171	-84.8	164.2	0	0	0	113.7
274	T	26.2	Very low	28.2	Very low	109 Å²	109	116.6 Å²	116.6	67%	0.669	62%	0.623	S	S	*	*			trans	-135.9	91	179.2	49.2	0	0	0	0	111.3
275	H	33.3	Very low	28.2	Very low	180 Å²	180	121 Å²	121	83%	0.833	64%	0.636	S	S	*	*			trans	-144.6	108	156.5	-100.7	-70.5	0	0	0	110
276	Q	29.6	Very low	28.3	Very low	98 Å²	98	123.1 Å²	123.1	46%	0.458	66%	0.659	S	S	.	*			trans	-75.6	159.7	178.5	-68.1	167.5	-98.8	0	0	111.9	D1077	Q276-D1077 PolarHBondContact NE2-O 3.2Å
277	L	26.8	Very low	28.6	Very low	152 Å²	152	123.6 Å²	123.6	80%	0.796	66%	0.664	S	S	*	*			trans	-86.9	151.7	157.8	-77.5	88	0	0	0	110.1
278	G	26.6	Very low	28.6	Very low	54 Å²	54	127.2 Å²	127.2	56%	0.557	66%	0.664	S	S	*	*			trans	100.7	151.7	175.4	0	0	0	0	0	113.7
279	D	27.8	Very low	28.7	Very low	145 Å²	145	127 Å²	127	78%	0.775	67%	0.669	S	S	*	*			cis	-158.2	174.8	-26.9	-150.1	-22.7	0	0	0	109.6
280	E	29.5	Very low	28.7	Very low	126 Å²	126	132.9 Å²	132.9	59%	0.589	68%	0.684	S	S	*	*			trans	77.8	99.7	157.7	-51.9	-115.2	136.7	0	0	122.6
281	K	28	Very low	28.7	Very low	146 Å²	146	135.4 Å²	135.4	64%	0.635	69%	0.691	S	S	*	*				64.7	125.3	118.2	-66.8	168.3	-164.1	156.9	0	123.8
282	R	26.2	Very low	28.8	Very low	210 Å²	210	140.1 Å²	140.1	79%	0.792	70%	0.704	S	S	*	*			trans	74.8	150.2	145.1	-64.4	177.1	-170.1	-165.2	7.8	116.8
283	Q	28.3	Very low	28.7	Very low	114 Å²	114	139.6 Å²	139.6	53%	0.533	71%	0.708	S	S	.	*			cis	-165.4	150.3	3.4	-125.7	164.6	-34.3	0	0	111.9
284	Y	29.3	Very low	28.8	Very low	182 Å²	182	137.5 Å²	137.5	71%	0.714	70%	0.698	S	S	*	*			trans	66.1	150.1	158	-58.8	-52.8	0	0	0	119.1
285	Q	29	Very low	29.1	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	70%	0.701	S	S	*	*			cis	-161	157.4	-6.7	-132.5	162	1.7	0	0	112.7
286	A	30.6	Very low	29	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	70%	0.696	S	S	*	*			trans	65.3	140.7	162.2	0	0	0	0	0	118
287	S	31.1	Very low	29	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	71%	0.713	S	S	*	*			cis	-154.2	117.9	3	43.8	0	0	0	0	109.7
288	Q	28.1	Very low	28.9	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	72%	0.715	S	S	*	*				68.5	149.2	107.9	-90.3	-159.4	29.8	0	0	117.4
289	P	29.5	Very low	29.2	Very low	95 Å²	95	144.3 Å²	144.3	62%	0.617	73%	0.731	S	S	*	*			cis	-139.8	156.5	12.9	43	-25.4	0	0	0	118.2
290	R	26.6	Very low	29.2	Very low	222 Å²	222	145.1 Å²	145.1	84%	0.838	73%	0.73	S	S	*	*			trans	69.3	139.9	131.9	-82.9	-178.9	-177.8	176.5	1.1	119.7
291	I	29.7	Very low	29	Very low	124 Å²	124	145.2 Å²	145.2	64%	0.636	73%	0.733	S	S	*	*			cis	-152.8	136.4	19.9	-63.7	-166.6	0	0	0	112.5
292	Q	30.2	Very low	29.1	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	74%	0.744	S	S	*	*			trans	53	157.4	152.2	-65.1	158.6	12.4	0	0	122.7
293	S	27.9	Very low	29	Very low	82 Å²	82	145.2 Å²	145.2	57%	0.573	74%	0.743	S	S	*	*			cis	174.1	155.3	-44	54	0	0	0	0	110.5
294	N	31.4	Very low	28.9	Very low	130 Å²	130	148.7 Å²	148.7	70%	0.695	76%	0.762	S	S	*	*			trans	81.1	142.7	161.5	-55.1	-41.7	0	0	0	117
295	K	32.1	Very low	28.7	Very low	170 Å²	170	148.1 Å²	148.1	74%	0.739	77%	0.765	S	S	*	*			cis	-169.6	146.4	-2.6	-119.5	173.1	-171.7	-179.8	0	112.2
296	S	30	Very low	28.6	Very low	105 Å²	105	149 Å²	149	73%	0.734	77%	0.767	S	S	*	*			trans	53.3	151.6	141.8	65.1	0	0	0	0	121.2
297	S	29.6	Very low	28.2	Very low	115 Å²	115	152.5 Å²	152.5	80%	0.804	77%	0.766	S	S	*	*			cis	-164.2	161.2	10.5	11.7	0	0	0	0	112.1
298	N	25.5	Very low	28	Very low	158 Å²	158	156.2 Å²	156.2	85%	0.845	77%	0.772	S	S	*	*			trans	-82.6	155	174.6	-57.3	-56.3	0	0	0	113.8
299	E	32	Very low	27.8	Very low	188 Å²	188	151.8 Å²	151.8	88%	0.879	77%	0.765	S	S	*	*			trans	-158.3	122.6	145.8	-104.3	168	-163.1	0	0	106.5
300	Q	28.3	Very low	27.6	Very low	163 Å²	163	156.8 Å²	156.8	76%	0.762	77%	0.773	S	S	*	*			cis	97.9	115.4	42.3	-84.5	-161.3	-7.7	0	0	115.5
301	I	26.5	Very low	27.4	Very low	127 Å²	127	154.2 Å²	154.2	65%	0.651	77%	0.771	S	S	*	*			trans	95	137.7	134.1	-67.6	167.4	0	0	0	121
302	R	29.6	Very low	27.2	Very low	230 Å²	230	153.9 Å²	153.9	87%	0.868	78%	0.779	S	S	*	*			trans	97.8	89.9	153.5	-91	159	-159.8	176.7	4.4	122.2
303	T	24.6	Very low	26.9	Very low	127 Å²	127	148.3 Å²	148.3	78%	0.779	77%	0.77	S	S	*	*				-5	133.2	126.5	-21.3	0	0	0	0	119.2
304	M	25.3	Very low	27	Very low	187 Å²	187	154.8 Å²	154.8	92%	0.921	78%	0.783	S	S	*	*			trans	-151.6	145	134.7	-83.2	-150.4	-63.2	0	0	111.1
305	H	25.6	Very low	26.9	Very low	169 Å²	169	156.5 Å²	156.5	78%	0.782	79%	0.786	S	S	*	*			trans	-67.9	151.9	169.3	-99.4	-112.6	0	0	0	111.6
306	F	27	Very low	26.6	Very low	188 Å²	188	153.4 Å²	153.4	83%	0.825	78%	0.782	S	S	*	*			trans	-161.1	126.2	134.2	-122.2	-83.3	0	0	0	111.3
307	E	22.8	Very low	26.6	Very low	169 Å²	169	159.2 Å²	159.2	79%	0.79	79%	0.79	S	S	*	*			trans	-83.4	134.6	160.9	-63.4	169.6	113.1	0	0	108.6
308	Q	27	Very low	26.5	Very low	182 Å²	182	161.4 Å²	161.4	85%	0.85	79%	0.787	S	S	*	*			trans	-171.7	153.7	145.1	-106.7	153.6	40.9	0	0	112.7
309	A	22.5	Very low	26.8	Very low	79 Å²	79	161 Å²	161	65%	0.653	79%	0.785	S	S	*	*			trans	-84.7	-167.9	179.2	0	0	0	0	0	112.5
310	Y	25.8	Very low	26.6	Very low	201 Å²	201	158.2 Å²	158.2	79%	0.788	79%	0.785	S	S	*	*			trans	80.9	113.4	179.7	-61.6	-88.7	0	0	0	114
311	Q	22.9	Very low	26.8	Very low	168 Å²	168	154.2 Å²	154.2	79%	0.785	79%	0.787	S	S	*	*				79.2	136.1	70.8	-78.5	-171.6	-19.3	0	0	114.7
312	S	24	Very low	26.9	Very low	116 Å²	116	151.7 Å²	151.7	81%	0.811	79%	0.793	S	S	*	*			trans	64	107.2	167	58.7	0	0	0	0	120
313	G	25.2	Very low	26.9	Very low	61 Å²	61	146.9 Å²	146.9	63%	0.629	79%	0.793	S	S	*	*				85.2	117.9	84.4	0	0	0	0	0	119.8
314	Y	30.3	Very low	27.1	Very low	218 Å²	218	149.8 Å²	149.8	86%	0.855	80%	0.798	S	S	*	*			trans	-148	115.9	152.4	-74.3	-76.2	0	0	0	107.4
315	H	28.1	Very low	27.3	Very low	165 Å²	165	145.9 Å²	145.9	76%	0.764	79%	0.789	S	S	*	*				61.9	128.7	83.9	-71.1	-61.7	0	0	0	112.9
316	T	27.3	Very low	27.3	Very low	106 Å²	106	146 Å²	146	65%	0.65	79%	0.792	S	S	*	*			cis	-165.2	151.1	14.2	19.5	0	0	0	0	110.7
317	Y	29.5	Very low	27.4	Very low	227 Å²	227	143 Å²	143	89%	0.89	79%	0.792	S	S	*	*				-172.1	147.5	112.2	-108.6	-76.7	0	0	0	111.2
318	E	26.6	Very low	27.3	Very low	161 Å²	161	143.3 Å²	143.3	75%	0.752	79%	0.794	S	S	*	*			trans	-101.2	153.1	-163	-56.9	163.9	126.6	0	0	114.1
319	N	31.4	Very low	27.5	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	80%	0.797	S	S	*	*				-179.6	129.2	116.2	-94.5	-46	0	0	0	114.4
320	C	29.6	Very low	27.6	Very low	130 Å²	130	145.4 Å²	145.4	88%	0.878	80%	0.8	S	S	*	*			trans	30.9	135.9	153.6	-58.2	0	0	0	0	122.5
321	G	30.4	Very low	27.8	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	79%	0.792	S	S	*	*			cis	158.7	147	-7.1	0	0	0	0	0	114.7
322	G	29	Very low	28.1	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	78%	0.784	S	S	*	*			trans	77.7	145.3	166.2	0	0	0	0	0	117.7
323	C	29.8	Very low	28.3	Very low	128 Å²	128	139.6 Å²	139.6	87%	0.865	78%	0.779	S	S	*	*			cis	-151.9	160.8	-1.7	-79.9	0	0	0	0	112.4
324	Q	28.7	Very low	28.5	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	79%	0.792	S	S	*	*			trans	-50.7	170.9	170.8	-66.4	155.1	-40.6	0	0	115.3
325	S	30.8	Very low	28.3	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	79%	0.787	S	S	*	*			cis	-162	149.2	33.7	59.2	0	0	0	0	117.8
326	M	25	Very low	28.3	Very low	172 Å²	172	142.1 Å²	142.1	85%	0.847	78%	0.784	S	S	*	*			trans	1.5	146.8	150.8	-50.5	-175.3	-54.8	0	0	122.6
327	C	28.9	Very low	28.6	Very low	123 Å²	123	141.4 Å²	141.4	83%	0.831	78%	0.781	S	S	*	*				-171.5	123.6	108.1	-99.4	0	0	0	0	112.9
328	E	21.5	Very low	28.4	Very low	177 Å²	177	139.7 Å²	139.7	83%	0.827	78%	0.778	S	S	*	*			trans	-101.4	146.5	164.7	-67.9	176.2	143.6	0	0	109.8
329	V	29.7	Very low	28.3	Very low	151 Å²	151	136.9 Å²	136.9	92%	0.915	77%	0.772	S	S	*	*			trans	-137.8	141.1	161.5	-178.1	0	0	0	0	109.9
330	H	26.2	Very low	28.1	Very low	153 Å²	153	138.1 Å²	138.1	71%	0.708	77%	0.77	S	S	*	*			trans	-98.1	167.2	-162.5	-112.4	-101.4	0	0	0	114.3
331	D	29.7	Very low	28	Very low	117 Å²	117	138.5 Å²	138.5	63%	0.626	76%	0.764	S	S	*	*			trans	87.9	114.8	135.9	-79.2	2.7	0	0	0	124.3
332	N	28.9	Very low	27.7	Very low	114 Å²	114	138.9 Å²	138.9	61%	0.61	75%	0.754	S	S	*	*				85.3	114.3	119.5	-68.9	-34.1	0	0	0	123
333	N	27	Very low	27.6	Very low	132 Å²	132	141.8 Å²	141.8	71%	0.706	75%	0.752	S	S	*	*				56.5	125.9	126.4	-53.8	-31.8	0	0	0	120.5
334	F	29.9	Very low	27.4	Very low	207 Å²	207	142.1 Å²	142.1	91%	0.908	75%	0.745	S	S	*	*				-164.5	152	106.8	-113.7	-78.4	0	0	0	112.1
335	E	26.4	Very low	27.2	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	73%	0.729	S	S	*	*			trans	-94.1	171.1	-168.5	-48.7	174.2	124.2	0	0	115.7
336	N	27.8	Very low	27	Very low	131 Å²	131	142.7 Å²	142.7	70%	0.701	73%	0.733	S	S	*	*			trans	92.4	154	134.2	-88.2	-39.1	0	0	0	120.3
337	P	33	Very low	27	Very low	91 Å²	91	140 Å²	140	59%	0.591	72%	0.719	S	S	*	*			trans	-135.9	-142.3	-131	41	-18.4	0	0	0	113.9
338	F	25.3	Very low	26.9	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.833	71%	0.714	S	S	*	*			trans	77.5	143.6	178.7	-71.5	-92.1	0	0	0	115.8
339	V	26.2	Very low	27.1	Very low	103 Å²	103	139.1 Å²	139.1	62%	0.624	71%	0.714	S	S	*	*			cis	-167.4	156.2	-17.5	85.7	0	0	0	0	112.5
340	K	26.5	Very low	27.2	Very low	174 Å²	174	138.2 Å²	138.2	76%	0.757	71%	0.709	S	S	*	*			trans	65.9	140.9	155	-72	173.4	-169.6	173.9	0	122.8
341	N	26.4	Very low	27.1	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	71%	0.71	S	S	*	*			trans	84.4	92	137.8	-77.3	16.9	0	0	0	121.5
342	S	25.4	Very low	27.1	Very low	87 Å²	87	138.3 Å²	138.3	61%	0.608	72%	0.719	S	S	*	*				80.8	127.5	107.5	73.5	0	0	0	0	121.3
343	N	26.8	Very low	27.1	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	73%	0.728	S	S	*	*			trans	85.1	97.9	144.1	-57.9	-16.2	0	0	0	119.6
344	N	26.1	Very low	27	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	72%	0.715	S	S	*	*				69.7	138	127.7	-64.4	-8	0	0	0	121.6
345	W	23.2	Very low	26.8	Very low	147 Å²	147	132.4 Å²	132.4	56%	0.557	71%	0.705	S	S	*	*			trans	67.8	113.4	151.9	-96.4	-39.3	0	0	0	115.6	T940 N941	W345-T940 HydrophobicContact CZ2-CG2 3.52Å; W345-N941 WeakPolarHBondContact CH2-ND2 3.42Å; W345-N941 WeakPolarHBondContact CZ2-ND2 3.44Å
346	I	27.1	Very low	26.7	Very low	158 Å²	158	130.1 Å²	130.1	81%	0.81	71%	0.705	S	S	*	*				-160.8	153	71.1	-95.3	149.6	0	0	0	111.7
347	Q	25.3	Very low	26.6	Very low	117 Å²	117	130.7 Å²	130.7	55%	0.547	70%	0.704	S	S	.	*			trans	-73.6	143.2	174.3	-60.3	160.4	-56.9	0	0	112.7	E938 N939	Q347-E938 PolarHBondContact NE2-OE2 2.68Å; Q347-N939 PolarHBondContact NE2-ND2 3.36Å
348	S	26.3	Very low	26.2	Very low	104 Å²	104	132 Å²	132	73%	0.727	71%	0.705	S	S	*	*			trans	-173	105.2	137.1	41.3	0	0	0	0	110
349	Q	26.6	Very low	26.2	Very low	176 Å²	176	128 Å²	128	82%	0.822	70%	0.701	S	S	*	*				76.3	108.7	97.6	-76.7	-175.9	-2	0	0	115.6
350	T	31.1	Very low	26.1	Very low	132 Å²	132	130.1 Å²	130.1	81%	0.81	71%	0.707	S	S	*	*				178	99.5	125.7	23.7	0	0	0	0	108
351	N	24.7	Very low	25.9	Very low	139 Å²	139	130.1 Å²	130.1	74%	0.743	71%	0.71	S	S	*	*				63.7	108.2	93.3	-71.2	-8.8	0	0	0	113.2
352	T	28.5	Very low	25.9	Very low	133 Å²	133	131 Å²	131	82%	0.816	71%	0.709	S	S	*	*				-175.7	155.8	75.7	27.6	0	0	0	0	114.8
353	S	28.8	Very low	25.9	Very low	112 Å²	112	134 Å²	134	78%	0.783	72%	0.719	S	S	*	*			trans	66.9	96.8	156.8	56.7	0	0	0	0	122.6
354	N	26.3	Very low	25.8	Very low	83 Å²	83	136 Å²	136	44%	0.444	72%	0.723	S	S	.	*			trans	-70.7	-172.4	137.7	-63.8	-48.9	0	0	0	112	E935	N354-E935 PolarHBondContact ND2-OE2 2.74Å
355	I	25.2	Very low	25.8	Very low	134 Å²	134	136.7 Å²	136.7	69%	0.687	73%	0.725	S	S	*	*			trans	86	128.1	166.4	-47.1	152.1	0	0	0	111.8
356	C	24.6	Very low	25.9	Very low	112 Å²	112	137.6 Å²	137.6	76%	0.757	74%	0.736	S	S	*	*			cis	-125.9	130.7	27.3	-56.9	0	0	0	0	115.6
357	E	25.4	Very low	26	Very low	144 Å²	144	138.8 Å²	138.8	67%	0.673	74%	0.738	S	S	*	*				-95	123.9	129.6	-159.4	-178.6	-163.4	0	0	104.7	H932	E357-H932 WeakPolarHBondContact CG-CE1 3.35Å; E357-H932 PolarHBondContact O-CD2 2.92Å; E357-H932 PolarHBondContact O-NE2 3.4Å; E357-H932 IonicContact OE1-CE1 2.68Å; E357-H932 IonicContact OE2-CE1 3.56Å; E357-H932 PolarHBondContact OE2-CE1 2.79Å; E357-H932 IonicContact OE2-CG 3.47Å; E357-H932 IonicContact OE2-ND1 3.61Å; E357-H932 PolarHBondContact OE2-ND1 3.35Å; E357-H932 IonicContact OE2-NE2 3.36Å
358	N	23.8	Very low	26.1	Very low	117 Å²	117	139.7 Å²	139.7	63%	0.626	75%	0.746	S	S	*	*			trans	175.1	137.9	165.4	-103	-55.9	0	0	0	113.3
359	S	25.8	Very low	26.3	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	75%	0.754	S	S	*	*			trans	-62.1	149.3	159.3	-40.5	0	0	0	0	112
360	I	24.6	Very low	26.4	Very low	147 Å²	147	137.4 Å²	137.4	75%	0.754	74%	0.743	S	S	*	*			trans	-171.3	107.2	153.4	-94.5	139.5	0	0	0	105.4
361	Q	23	Very low	26.1	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	74%	0.742	S	S	*	*				58.5	135.8	87.3	-75.7	-171.2	-18.4	0	0	114.8	N363	Q361-N363 PolarHBondContact O-N 3.27Å
362	H	25.7	Very low	26.4	Very low	156 Å²	156	139.4 Å²	139.4	72%	0.722	75%	0.747	S	S	*	*			trans	-41.5	124.5	158.7	-80	-101.8	0	0	0	110.6
363	N	25.1	Very low	26.2	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	75%	0.748	S	S	*	*				-165.5	137.9	128.3	-99.2	-44	0	0	0	111.9	Q361	Q361-N363 PolarHBondContact O-N 3.27Å
364	H	25.5	Very low	26.3	Very low	178 Å²	178	144.9 Å²	144.9	82%	0.824	75%	0.747	S	S	*	*			trans	-50.7	141.6	151.4	-76.4	-86.1	0	0	0	109.7
365	I	25.4	Very low	26.3	Very low	150 Å²	150	146.9 Å²	146.9	77%	0.769	76%	0.757	S	S	*	*				-164.7	135.7	128.3	-98.6	146.2	0	0	0	109.3
366	Q	25.8	Very low	26.5	Very low	166 Å²	166	147.6 Å²	147.6	78%	0.776	76%	0.757	S	S	*	*			trans	-72.5	140.6	173.7	-60.2	161.3	-53.9	0	0	109.6
367	H	29	Very low	26.8	Very low	184 Å²	184	150.4 Å²	150.4	85%	0.852	76%	0.757	S	S	*	*			trans	-111.9	112.3	156.3	-101.7	-83.6	0	0	0	110.6
368	N	26.3	Very low	27	Very low	136 Å²	136	148.5 Å²	148.5	73%	0.727	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-68.3	138.3	176.3	-72.7	-50.8	0	0	0	111.1
369	V	32.1	Very low	27.2	Very low	147 Å²	147	151 Å²	151	89%	0.891	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-76.1	139.6	147.9	176.3	0	0	0	0	108.1
370	S	27.5	Very low	27.4	Very low	85 Å²	85	150.5 Å²	150.5	59%	0.594	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-89.3	156.4	-165.1	58.3	0	0	0	0	115.5
371	N	25.3	Very low	27.7	Very low	147 Å²	147	149.1 Å²	149.1	79%	0.786	75%	0.75	S	S	*	*			trans	73	103.3	148.9	-60.5	-29.6	0	0	0	120.2
372	I	31.7	Very low	28	Very low	165 Å²	165	148.5 Å²	148.5	85%	0.846	75%	0.747	S	S	*	*				174.4	92.8	127.6	-83.3	149.1	0	0	0	103.7
373	R	24.4	Very low	28.2	Very low	219 Å²	219	148.5 Å²	148.5	83%	0.826	75%	0.752	S	S	*	*				66.9	127.1	70.1	-135.7	-174.2	-159.2	172.6	6.2	113.8
374	N	30.4	Very low	28.7	Very low	142 Å²	142	145.8 Å²	145.8	76%	0.759	74%	0.743	S	S	*	*			trans	82.6	143.7	173	-48.2	-12.7	0	0	0	115.1
375	N	25.9	Very low	28.8	Very low	125 Å²	125	146 Å²	146	67%	0.668	74%	0.741	S	S	*	*			cis	170.1	157.9	-24.5	-126.8	27.5	0	0	0	105.2
376	E	30.1	Very low	28.8	Very low	148 Å²	148	144.2 Å²	144.2	69%	0.692	74%	0.737	S	S	*	*			trans	67.4	158	157.1	-61.9	151.2	-142	0	0	116.1
377	F	29.4	Very low	28.9	Very low	171 Å²	171	143.6 Å²	143.6	75%	0.75	73%	0.734	S	S	*	*			cis	-165.8	162.8	-6.8	-117.5	-156.9	0	0	0	106.5
378	L	30.1	Very low	28.9	Very low	104 Å²	104	143.1 Å²	143.1	55%	0.545	73%	0.73	S	S	.	*			cis	-173.1	144.7	-17.4	-173.9	72.1	0	0	0	108
379	E	28.5	Very low	29.1	Very low	171 Å²	171	146 Å²	146	80%	0.799	74%	0.736	S	S	*	*			trans	61.1	163	161	-79.8	158.4	-158.2	0	0	118.1
380	S	29.1	Very low	28.9	Very low	95 Å²	95	144.2 Å²	144.2	66%	0.664	73%	0.73	S	S	*	*			cis	-162.4	-175.4	-23.6	65.1	0	0	0	0	107.5
381	N	30.6	Very low	28.9	Very low	119 Å²	119	146.8 Å²	146.8	64%	0.636	74%	0.737	S	S	*	*			cis	-158.6	155.7	5	-133	-25.8	0	0	0	112.7
382	Q	29.8	Very low	29	Very low	160 Å²	160	146.5 Å²	146.5	75%	0.748	73%	0.734	S	S	*	*			trans	30.9	113.4	147.1	-68.1	162.9	36.8	0	0	123.9
383	N	29.6	Very low	28.8	Very low	156 Å²	156	147.3 Å²	147.3	83%	0.834	73%	0.734	S	S	*	*				29.9	162	101.4	-96.3	-22.3	0	0	0	121.4
384	P	35.4	Very low	29	Very low	94 Å²	94	141.3 Å²	141.3	61%	0.61	73%	0.731	S	S	*	*			cis	-147.7	-174.3	-15	41	-20.5	0	0	0	117.5
385	K	27.6	Very low	28.9	Very low	182 Å²	182	145.3 Å²	145.3	79%	0.791	74%	0.735	S	S	*	*			trans	79.2	117	143.1	-83.7	171.5	-173.4	178.2	0	123.9
386	T	25.9	Very low	29.1	Very low	112 Å²	112	148 Å²	148	69%	0.687	74%	0.744	S	S	*	*				82.9	126.2	126.7	54.8	0	0	0	0	125.5
387	H	29	Very low	29	Very low	154 Å²	154	145.6 Å²	145.6	71%	0.713	74%	0.744	S	S	*	*			trans	91.7	112.6	133.4	-76.7	-37.5	0	0	0	124
388	K	28	Very low	28.9	Very low	173 Å²	173	144.3 Å²	144.3	75%	0.752	74%	0.744	S	S	*	*				70.4	115	129.7	-73.7	176.9	175.8	172.4	0	121.1
389	K	30.1	Very low	29	Very low	198 Å²	198	147.1 Å²	147.1	86%	0.861	76%	0.76	S	S	*	*			trans	49	117.7	135.1	-63.7	-172.1	175.5	-170.5	0	118.8
390	S	28.5	Very low	29	Very low	109 Å²	109	147.7 Å²	147.7	76%	0.762	76%	0.763	S	S	*	*				179	146	102.8	44.8	0	0	0	0	115
391	N	26.9	Very low	29	Very low	138 Å²	138	154.3 Å²	154.3	74%	0.738	78%	0.775	S	S	*	*			trans	45.2	113.2	141.5	-62	1.8	0	0	0	123.7
392	I	27.4	Very low	28.8	Very low	142 Å²	142	155.2 Å²	155.2	73%	0.728	79%	0.789	S	S	*	*				54.3	103.4	109.9	-56.8	156.2	0	0	0	119.1
393	Q	29	Very low	28.7	Very low	182 Å²	182	152.8 Å²	152.8	85%	0.85	79%	0.79	S	S	*	*			trans	164	118.6	131.2	-92.3	162.2	20.4	0	0	108.2
394	A	28	Very low	28.7	Very low	92 Å²	92	151.5 Å²	151.5	76%	0.76	78%	0.783	S	S	*	*			cis	84.7	95.8	46.9	0	0	0	0	0	114.5
395	R	28.5	Very low	28.5	Very low	226 Å²	226	156.5 Å²	156.5	85%	0.853	80%	0.795	S	S	*	*			trans	-178.7	111.6	150.1	-104.5	169.1	166.7	171.2	-5.3	106.5
396	E	28.8	Very low	28.9	Very low	181 Å²	181	155.4 Å²	155.4	85%	0.846	80%	0.797	S	S	*	*				54.8	120.8	75.2	-61.2	178.4	168.4	0	0	110.6
397	S	29.4	Very low	29.2	Very low	98 Å²	98	158.6 Å²	158.6	69%	0.685	80%	0.801	S	S	*	*			cis	-165.7	163.7	34.5	44.3	0	0	0	0	113
398	N	27.7	Very low	29.4	Very low	144 Å²	144	157.1 Å²	157.1	77%	0.77	80%	0.795	S	S	*	*			trans	61.4	122.7	159.7	-52.9	-7.7	0	0	0	116.9
399	D	31.5	Very low	29.8	Very low	163 Å²	163	153.4 Å²	153.4	87%	0.872	78%	0.783	S	S	*	*			cis	-146.9	158.1	45.8	-92.6	-41.4	0	0	0	114.7
400	Q	28.8	Very low	30.2	Very low	183 Å²	183	151.8 Å²	151.8	86%	0.855	78%	0.776	S	S	*	*			trans	-110.3	74.3	-159	-179.6	132.4	-8.5	0	0	113.7
401	Y	28.5	Very low	30.5	Very low	235 Å²	235	153.6 Å²	153.6	92%	0.922	77%	0.773	S	S	*	*			trans	-158.1	75.4	167.6	-97.4	-76.2	0	0	0	112
402	C	27.5	Very low	30.8	Very low	137 Å²	137	153.3 Å²	153.3	93%	0.926	77%	0.767	S	S	*	*			trans	178.5	68.1	158.8	-106.7	0	0	0	0	113.3
403	S	27.2	Very low	31.3	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	76%	0.761	S	S	*	*	S	Bend	trans	-159.9	61	173.4	65.7	0	0	0	0	114.4
404	N	29.8	Very low	31.5	Very low	128 Å²	128	149.5 Å²	149.5	68%	0.684	75%	0.753	S	S	*	*	S	Bend	trans	-147.8	-23.1	163.4	-91.2	-21.2	0	0	0	114	L406	N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L406 PolarHBondContact O-N 3.07Å
405	F	31.5	Very low	31.7	Very low	199 Å²	199	151 Å²	151	87%	0.873	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	14.4	-172.1	-91.8	-82.2	0	0	0	117.6
406	L	35.1	Very low	31.8	Very low	159 Å²	159	145.1 Å²	145.1	83%	0.832	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	18.2	-177.3	-82	170.5	0	0	0	114.4	N404	N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L406 PolarHBondContact O-N 3.07Å
407	K	33.2	Very low	32	Very low	179 Å²	179	145.3 Å²	145.3	78%	0.778	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	-20.1	173.6	-92.4	-172.8	171.8	-175.5	0	115.3
408	E	32.2	Very low	32.3	Very low	123 Å²	123	145.5 Å²	145.5	58%	0.575	73%	0.729	S	S	*	*	S	Bend	trans	-79.6	-31.8	-179.7	-65.1	179.7	157.9	0	0	112.2	K410 E411 Q412	E408-K410 VanDerWaalsContact C-N 3.27Å; E408-K410 PolarHBondContact O-N 2.88Å; E408-E411 PolarHBondContact O-N 2.68Å; E408-Q412 PolarHBondContact O-N 2.79Å
409	D	36	Very low	33.1	Very low	95 Å²	95	142.8 Å²	142.8	51%	0.508	72%	0.721	S	S	.	*	H	α-helix	trans	-62.2	-30.9	176	-70.5	-18.6	0	0	0	113.4	L413	D409-L413 WeakPolarHBondContact O-CB 3.39Å; D409-L413 WeakPolarHBondContact O-CD1 3.42Å; D409-L413 WeakPolarHBondContact O-CG 3.49Å; D409-L413 PolarHBondContact O-N 3.36Å
410	K	38.8	Very low	34.4	Very low	164 Å²	164	139.6 Å²	139.6	71%	0.713	71%	0.71	S	S	*	*	H	α-helix	trans	-77.3	-18.7	-179.8	-86.8	-171.1	174.4	-177.8	0	114.2	E408 L414	E408-K410 VanDerWaalsContact C-N 3.27Å; E408-K410 PolarHBondContact O-N 2.88Å; K410-L414 WeakPolarHBondContact O-CB 3.45Å
411	E	35.5	Very low	36.3	Very low	147 Å²	147	137.9 Å²	137.9	69%	0.687	70%	0.699	S	S	*	*	H	α-helix	trans	-96.5	-25.7	172.9	-69.1	-175.2	169	0	0	111.7	E408 N415	E408-E411 PolarHBondContact O-N 2.68Å; E411-N415 PolarHBondContact O-N 3.27Å; E411-N415 PolarHBondContact O-ND2 3.22Å
412	Q	33.4	Very low	39	Very low	132 Å²	132	130.2 Å²	130.2	62%	0.617	67%	0.674	S	S	*	*	H	α-helix	trans	-71.6	-39.6	167.9	-66	-172.2	34.7	0	0	112.2	E408 L414 T416	E408-Q412 PolarHBondContact O-N 2.79Å; Q412-L414 VanDerWaalsContact C-N 3.33Å; Q412-L414 PolarHBondContact O-N 3.26Å; Q412-T416 PolarHBondContact O-OG1 2.68Å
413	L	37.1	Very low	42	Very low	117 Å²	117	127.4 Å²	127.4	61%	0.613	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-20.8	174	-71.3	167.5	0	0	0	114	D409	D409-L413 WeakPolarHBondContact O-CB 3.39Å; D409-L413 WeakPolarHBondContact O-CD1 3.42Å; D409-L413 WeakPolarHBondContact O-CG 3.49Å; D409-L413 PolarHBondContact O-N 3.36Å
414	L	32.8	Very low	45.1	Very low	127 Å²	127	128.8 Å²	128.8	67%	0.665	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-20.3	177.5	-131.8	72.4	0	0	0	113.7	K410 Q412 T416	K410-L414 WeakPolarHBondContact O-CB 3.45Å; Q412-L414 VanDerWaalsContact C-N 3.33Å; Q412-L414 PolarHBondContact O-N 3.26Å; L414-T416 PolarHBondContact O-N 2.83Å
415	N	32.1	Very low	48	Very low	124 Å²	124	123.3 Å²	123.3	66%	0.663	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-76.7	-6.2	172.5	-78.2	-39.1	0	0	0	113.1	E411 F417 N418	E411-N415 PolarHBondContact O-N 3.27Å; E411-N415 PolarHBondContact O-ND2 3.22Å; N415-F417 VanDerWaalsContact C-N 3.33Å; N415-F417 PolarHBondContact O-N 3.01Å; N415-N418 PolarHBondContact O-ND2 3.2Å
416	T	31.7	Very low	50.7	Low	102 Å²	102	117 Å²	117	63%	0.626	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-87.4	9.4	-178.7	-40.6	0	0	0	0	113.8	Q412 L414	Q412-T416 PolarHBondContact O-OG1 2.68Å; L414-T416 PolarHBondContact O-N 2.83Å
417	F	32.9	Very low	53.2	Low	185 Å²	185	109.7 Å²	109.7	81%	0.811	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-98.5	21.9	171.2	-81.1	-77.9	0	0	0	114.3	N415 S419	N415-F417 VanDerWaalsContact C-N 3.33Å; N415-F417 PolarHBondContact O-N 3.01Å; F417-S419 PolarHBondContact O-N 2.82Å
418	N	35	Very low	55.2	Low	102 Å²	102	106.1 Å²	106.1	55%	0.545	53%	0.533	S	S	.	.	S	Bend	trans	-69.5	122	156.3	-82.4	-82.3	0	0	0	107.9	N415 K421	N415-N418 PolarHBondContact O-ND2 3.2Å; N418-K421 PolarHBondContact OD1-NZ 3.32Å
419	S	44.5	Very low	56.8	Low	87 Å²	87	101.8 Å²	101.8	61%	0.608	52%	0.515	S	S	*	.			trans	-51.2	142.2	168.8	60.3	0	0	0	0	109.4	F417 K421	F417-S419 PolarHBondContact O-N 2.82Å; S419-K421 WeakPolarHBondContact O-CG 3.27Å; S419-K421 PolarHBondContact O-N 2.99Å
420	P	58.8	Low	57.8	Low	97 Å²	97	103.4 Å²	103.4	63%	0.63	52%	0.524	S	S	*	.			trans	-67.5	105.6	-170.1	29.4	-36.5	0	0	0	108.8	L502	P420-L502 HydrophobicContact CB-CD1 3.72Å; P420-L502 HydrophobicContact CG-CD1 4.13Å; P420-L502 VanDerWaalsContact O-CD1 3.3Å; P420-L502 WeakPolarHBondContact O-CD1 3.35Å
421	K	69.6	Low	58.4	Low	147 Å²	147	102.9 Å²	102.9	64%	0.639	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-81.2	127.3	-173.1	-74.5	168.9	-172.3	161	0	109.4	N418 S419 R423	N418-K421 PolarHBondContact OD1-NZ 3.32Å; S419-K421 WeakPolarHBondContact O-CG 3.27Å; S419-K421 PolarHBondContact O-N 2.99Å; K421-R423 PolarHBondContact O-N 3.42Å; K421-R423 VanDerWaalsContact O-N 3.17Å
422	N	84.1	Confident	59	Low	74 Å²	74	97.2 Å²	97.2	40%	0.396	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-55.1	121.4	172.3	-64.7	4.3	0	0	0	110.2	L501	N422-L501 CarbonylContact C-O 3.44Å; N422-L501 VanDerWaalsContact CA-O 3.25Å; N422-L501 WeakPolarHBondContact CA-O 3.23Å
423	R	90.9	Very high	59.9	Low	78 Å²	78	95.3 Å²	95.3	29%	0.294	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130	174	66.8	-168.1	-168.7	132.5	-19.6	109.5	K421 G463 S465 D468 L501	K421-R423 PolarHBondContact O-N 3.42Å; K421-R423 VanDerWaalsContact O-N 3.17Å; R423-G463 PolarHBondContact NH1-O 3.45Å; R423-G463 PolarHBondContact NH2-O 3.11Å; R423-S465 PolarHBondContact NH2-OG 3.35Å; R423-D468 IonicContact CZ-OD1 3.49Å; R423-D468 IonicContact CZ-OD2 3.39Å; R423-D468 IonicContact NE-OD1 3.29Å; R423-D468 PolarHBondContact NE-OD1 2.88Å; R423-D468 IonicContact NE-OD2 3.57Å; R423-D468 IonicContact NH2-OD1 2.88Å; R423-D468 PolarHBondContact NH2-OD1 2.89Å; R423-D468 IonicContact NH2-OD2 2.67Å; R423-D468 PolarHBondContact NH2-OD2 2.81Å; R423-L501 HydrophobicContact CG-CB 3.78Å; R423-L501 PolarHBondContact N-O 3.26Å; R423-L501 PolarHBondContact O-N 3.08Å
424	K	91.3	Very high	60.6	Low	139 Å²	139	92.1 Å²	92.1	60%	0.604	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.9	176.8	-55.1	-152	-176.2	-159.7	0	109.8	L499 E500	K424-L499 CarbonylContact C-O 3.3Å; K424-L499 WeakPolarHBondContact CA-O 3.12Å; K424-E500 HydrophobicContact CD-CG 3.94Å; K424-E500 WeakPolarHBondContact CE-OE1 3.49Å; K424-E500 WeakPolarHBondContact CE-OE2 3.34Å; K424-E500 HydrophobicContact CG-CG 4.03Å; K424-E500 IonicContact NZ-OE1 2.65Å; K424-E500 PolarHBondContact NZ-OE1 2.77Å; K424-E500 IonicContact NZ-OE2 3.37Å; K424-E500 PolarHBondContact NZ-OE2 2.72Å
425	V	91.3	Very high	62	Low	12 Å²	12	88.7 Å²	88.7	7%	0.073	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.1	177.6	176.3	0	0	0	0	108.7	L427 A462 V464 I498 L499 L501	V425-L427 HydrophobicContact CG1-CD2 4.31Å; V425-L427 HydrophobicContact CG1-CG 4.48Å; V425-A462 HydrophobicContact CG1-CB 3.43Å; V425-A462 VanDerWaalsContact CG1-CB 3.43Å; V425-A462 VanDerWaalsContact CG1-O 3.3Å; V425-A462 WeakPolarHBondContact CG1-O 3.47Å; V425-V464 HydrophobicContact CG1-CG2 3.95Å; V425-I498 WeakPolarHBondContact O-CA 3.44Å; V425-L499 HydrophobicContact CB-CB 4.49Å; V425-L499 PolarHBondContact N-O 3.2Å; V425-L499 PolarHBondContact O-N 2.82Å; V425-L501 HydrophobicContact CB-CD1 4.2Å; V425-L501 HydrophobicContact CG2-CD1 3.74Å
426	T	89.3	Confident	64.3	Low	67 Å²	67	84.1 Å²	84.1	41%	0.411	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.9	174.3	-64.4	0	0	0	0	108.9	K496 M497	T426-K496 HydrophobicContact CG2-CD 4.3Å; T426-K496 HydrophobicContact CG2-CG 3.96Å; T426-M497 CarbonylContact C-O 3.55Å; T426-M497 WeakPolarHBondContact CA-O 3.41Å
427	L	85.8	Confident	66.6	Low	5 Å²	5	79.5 Å²	79.5	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129	172.4	-58.3	166.9	0	0	0	107.8	V425 I436 I458 A459 A462 V464 K496 M497 L499	V425-L427 HydrophobicContact CG1-CD2 4.31Å; V425-L427 HydrophobicContact CG1-CG 4.48Å; L427-I436 HydrophobicContact CD1-CG2 3.67Å; L427-I458 HydrophobicContact CB-CG2 3.96Å; L427-I458 HydrophobicContact CD2-CG2 3.87Å; L427-I458 VanDerWaalsContact CD2-O 3.3Å; L427-I458 WeakPolarHBondContact CD2-O 3.28Å; L427-A459 HydrophobicContact CD2-CB 4.43Å; L427-A462 HydrophobicContact CD2-CB 3.49Å; L427-A462 VanDerWaalsContact CD2-CB 3.49Å; L427-V464 HydrophobicContact CD2-CG2 4.47Å; L427-K496 WeakPolarHBondContact O-CA 3.43Å; L427-M497 HydrophobicContact CB-CB 4.2Å; L427-M497 HydrophobicContact CD1-CG 4.28Å; L427-M497 HydrophobicContact CD1-SD 3.55Å; L427-M497 VanDerWaalsContact CD1-SD 3.55Å; L427-M497 PolarHBondContact N-O 2.81Å; L427-M497 PolarHBondContact O-N 3.43Å; L427-L499 HydrophobicContact CD1-CD1 3.47Å; L427-L499 VanDerWaalsContact CD1-CD1 3.47Å; L427-L499 HydrophobicContact CD1-CG 3.94Å; L427-L499 HydrophobicContact CG-CD1 4.37Å
428	Q	77.2	Confident	69	Low	104 Å²	104	72 Å²	72	49%	0.486	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.8	-179.1	-170.9	175.3	-47	0	0	109.9	N430	Q428-N430 PolarHBondContact NE2-OD1 3.35Å; Q428-N430 PolarHBondContact O-N 3.43Å
429	T	65.1	Low	71.5	Confident	32 Å²	32	69.6 Å²	69.6	20%	0.196	37%	0.367	C	S	.	.			trans	-84.2	102.5	177.7	55.1	0	0	0	0	108.5	Q431 I458 N495	T429-Q431 PolarHBondContact O-N 2.69Å; T429-I458 HydrophobicContact CG2-CD1 3.64Å; T429-N495 PolarHBondContact N-O 2.96Å; T429-N495 VanDerWaalsContact N-O 3.1Å; T429-N495 VanDerWaalsContact OG1-CA 3.26Å; T429-N495 WeakPolarHBondContact OG1-CA 3.4Å; T429-N495 PolarHBondContact OG1-O 3.29Å
430	N	56	Low	73.7	Confident	129 Å²	129	65.8 Å²	65.8	69%	0.69	34%	0.34	S	S	*	.	S	Bend	trans	-77.6	-17.8	-174.5	-71	-34	0	0	0	114.1	Q428	Q428-N430 PolarHBondContact NE2-OD1 3.35Å; Q428-N430 PolarHBondContact O-N 3.43Å
431	Q	51.3	Low	75.2	Confident	153 Å²	153	64.2 Å²	64.2	72%	0.715	32%	0.322	S	S	*	.	S	Bend	trans	-150.9	111.8	178.8	-59.3	-178	10.3	0	0	109.5	T429 C434	T429-Q431 PolarHBondContact O-N 2.69Å; Q431-C434 PolarHBondContact O-SG 2.78Å
432	G	49.8	Very low	76.2	Confident	29 Å²	29	57.3 Å²	57.3	30%	0.299	29%	0.292	S	S	.	.	S	Bend	trans	64.1	-176.8	173.9	0	0	0	0	0	116	E234 C434	E234-G432 VanDerWaalsContact OE2-CA 3.3Å; E234-G432 WeakPolarHBondContact OE2-CA 3.05Å; G432-C434 VanDerWaalsContact C-N 3.27Å; G432-C434 PolarHBondContact O-N 3.19Å
433	K	52	Low	76.5	Confident	92 Å²	92	53.8 Å²	53.8	40%	0.4	27%	0.273	S	S	.	.	S	Bend	trans	-80.7	73.5	170.5	-77.3	-162.2	176.2	-167.9	0	110.3	M491	K433-M491 PolarHBondContact NZ-O 2.99Å
434	C	50.5	Low	76.6	Confident	50 Å²	50	51.7 Å²	51.7	34%	0.338	27%	0.268	S	S	.	.			trans	-68.6	149.8	163.2	-69.3	0	0	0	0	110.7	Q431 G432 I436 I458	Q431-C434 PolarHBondContact O-SG 2.78Å; G432-C434 VanDerWaalsContact C-N 3.27Å; G432-C434 PolarHBondContact O-N 3.19Å; C434-I436 PolarHBondContact O-N 2.75Å; C434-I458 HydrophobicContact CB-CD1 3.88Å
435	D	63	Low	76.5	Confident	55 Å²	55	47.2 Å²	47.2	29%	0.294	25%	0.252	S	S	.	.			trans	-64.1	135.1	179.2	-64.8	-49.4	0	0	0	111.8	G215 G437	G215-D435 VanDerWaalsContact CA-OD1 3.29Å; G215-D435 WeakPolarHBondContact CA-OD1 3.46Å; G215-D435 WeakPolarHBondContact CA-OD2 3.45Å; G215-D435 VanDerWaalsContact N-CG 3.3Å; G215-D435 PolarHBondContact N-OD1 3.2Å; G215-D435 VanDerWaalsContact N-OD1 3.12Å; G215-D435 PolarHBondContact N-OD2 3.12Å; D435-G437 PolarHBondContact O-N 3.26Å
436	I	79.4	Confident	76.3	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.138	27%	0.269	C	S	.	.			trans	-65.1	-32.4	175.8	-60	161.8	0	0	0	109.9	L427 C434 L438 S457 A459 L490 M497	L427-I436 HydrophobicContact CD1-CG2 3.67Å; C434-I436 PolarHBondContact O-N 2.75Å; I436-L438 HydrophobicContact CG2-CD1 3.78Å; I436-L438 HydrophobicContact CG2-CG 3.97Å; I436-S457 PolarHBondContact O-OG 3.06Å; I436-A459 HydrophobicContact CG2-CB 4.36Å; I436-A459 WeakPolarHBondContact O-CB 3.28Å; I436-A459 PolarHBondContact O-N 2.91Å; I436-L490 HydrophobicContact CD1-CB 3.82Å; I436-L490 HydrophobicContact CD1-CD2 4.42Å; I436-M497 HydrophobicContact CD1-CE 3.62Å; I436-M497 HydrophobicContact CD1-SD 4.37Å
437	G	80.1	Confident	76.5	Confident	6 Å²	6	48.5 Å²	48.5	6%	0.062	25%	0.254	C	S	.	.			trans	84.5	30.6	175.6	0	0	0	0	0	114.9	D435 V453 I454	D435-G437 PolarHBondContact O-N 3.26Å; G437-V453 CarbonylContact O-C 3.49Å; G437-V453 WeakPolarHBondContact O-CA 3.4Å; G437-I454 PolarHBondContact O-N 3.12Å
438	L	85.1	Confident	76.8	Confident	26 Å²	26	48.3 Å²	48.3	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.5	178.3	-64.4	173.4	0	0	0	111.3	I436 L440 V450 V453 A459 V464 L499	I436-L438 HydrophobicContact CG2-CD1 3.78Å; I436-L438 HydrophobicContact CG2-CG 3.97Å; L438-L440 HydrophobicContact CB-CD2 4.42Å; L438-V450 HydrophobicContact CD2-CG1 3.76Å; L438-V450 HydrophobicContact CD2-CG2 3.96Å; L438-V453 HydrophobicContact CD2-CG2 4.11Å; L438-A459 HydrophobicContact CD1-CB 4.45Å; L438-A459 HydrophobicContact CD2-CB 3.5Å; L438-A459 HydrophobicContact CG-CB 3.77Å; L438-V464 HydrophobicContact CD2-CB 4.28Å; L438-V464 HydrophobicContact CD2-CG1 3.69Å; L438-L499 HydrophobicContact CD1-CD1 4.28Å
439	I	86.4	Confident	77.6	Confident	53 Å²	53	43.5 Å²	43.5	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.2	161.9	-49.8	-170.7	0	0	0	107.6	S451 K452	I439-S451 PolarHBondContact O-N 2.9Å; I439-S451 PolarHBondContact O-OG 3Å; I439-K452 HydrophobicContact CB-CB 4.06Å; I439-K452 HydrophobicContact CD1-CB 4.02Å; I439-K452 HydrophobicContact CD1-CD 4.25Å; I439-K452 HydrophobicContact CD1-CG 4.45Å; I439-K452 HydrophobicContact CG1-CB 4.1Å; I439-K452 PolarHBondContact N-O 3.49Å
440	L	90.7	Very high	79	Confident	6 Å²	6	42 Å²	42	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.2	-173.3	-55.3	-178	0	0	0	111.4	L438 V448 Y449 S451 L470 V486 F487 L490	L438-L440 HydrophobicContact CB-CD2 4.42Å; L440-V448 HydrophobicContact CB-CG1 4Å; L440-V448 HydrophobicContact CD1-CG1 4.22Å; L440-V448 HydrophobicContact CD2-CG1 4.18Å; L440-V448 HydrophobicContact CG-CG1 4.36Å; L440-Y449 CarbonylContact C-O 3.49Å; L440-Y449 WeakPolarHBondContact CA-O 3.37Å; L440-S451 PolarHBondContact O-OG 3.18Å; L440-L470 HydrophobicContact CD2-CD1 3.55Å; L440-V486 HydrophobicContact CD1-CB 4.38Å; L440-V486 HydrophobicContact CD1-CG1 4Å; L440-F487 HydrophobicContact CD1-CB 4.15Å; L440-L490 HydrophobicContact CD1-CD1 4.26Å; L440-L490 HydrophobicContact CD2-CD1 4.33Å
441	Y	90.5	Very high	80.6	Confident	65 Å²	65	36.9 Å²	36.9	26%	0.255	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.7	171.7	-169.3	-101.1	0	0	0	110.1	V448 Y449 Y508 M511 L512 H518	Y441-V448 CarbonylContact O-C 3.5Å; Y441-V448 WeakPolarHBondContact O-CA 3.33Å; Y441-Y449 PolarHBondContact N-O 2.91Å; Y441-Y449 PolarHBondContact O-N 2.87Å; Y441-Y508 HydrophobicContact CD1-CD2 4.42Å; Y441-Y508 HydrophobicContact CD1-CE2 4.17Å; Y441-M511 HydrophobicContact CE1-CB 4.2Å; Y441-L512 HydrophobicContact CD1-CD2 4.26Å; Y441-L512 HydrophobicContact CE1-CD2 3.87Å; Y441-L512 HydrophobicContact CE1-CG 4.39Å; Y441-L512 HydrophobicContact CE2-CD2 4.31Å; Y441-H518 AromaticContact CE1-CD2 3.64Å; Y441-H518 AromaticContact CZ-CD2 3.74Å
442	G	90.1	Very high	82.4	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.9	-143.7	-173.5	0	0	0	0	0	112.3	K483	G442-K483 VanDerWaalsContact O-CD 3.28Å; G442-K483 WeakPolarHBondContact O-CD 3.49Å; G442-K483 WeakPolarHBondContact O-CG 3.14Å
443	G	91.1	Very high	84.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-168.1	-170.8	0	0	0	0	0	114.8	T445 G447 W481 H518 E519	G443-T445 PolarHBondContact O-N 3.4Å; G443-G447 PolarHBondContact N-O 3.12Å; G443-G447 CarbonylContact O-C 3.53Å; G443-G447 WeakPolarHBondContact O-CA 3.1Å; G443-G447 PolarHBondContact O-N 2.86Å; G443-W481 CarbonylContact C-O 3.53Å; G443-H518 CarbonylContact C-O 3.54Å; G443-H518 WeakPolarHBondContact CA-O 3.28Å; G443-E519 VanDerWaalsContact CA-CG 3.46Å
444	N	92.3	Very high	85.7	Confident	34 Å²	34	34.2 Å²	34.2	18%	0.182	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	-174.4	69.7	-44.8	0	0	0	114.1	G480 W481 T482 E519 S520	N444-G480 VanDerWaalsContact CB-O 3.25Å; N444-G480 WeakPolarHBondContact CB-O 3.25Å; N444-W481 VanDerWaalsContact CA-O 3.24Å; N444-W481 WeakPolarHBondContact CA-O 3.39Å; N444-W481 PolarHBondContact N-O 3.04Å; N444-T482 HydrophobicContact CB-CG2 4.14Å; N444-E519 WeakPolarHBondContact OD1-CA 3.3Å; N444-S520 PolarHBondContact ND2-O 2.98Å; N444-S520 PolarHBondContact OD1-N 3.21Å
445	T	90.2	Very high	87.1	Confident	45 Å²	45	36.1 Å²	36.1	28%	0.276	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-38.8	-174.7	66.2	0	0	0	0	114.3	G443 H518	G443-T445 PolarHBondContact O-N 3.4Å; T445-H518 PolarHBondContact N-O 3.4Å; T445-H518 PolarHBondContact OG1-O 2.86Å
446	K	87.6	Confident	87.9	Confident	95 Å²	95	40 Å²	40	41%	0.413	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-1.9	-176.9	-56.7	-59.3	159.9	-154.2	0	113.3	K469 M511 E857	K446-K469 VanDerWaalsContact O-CE 3.29Å; K446-K469 WeakPolarHBondContact O-CE 3.08Å; K446-K469 PolarHBondContact O-NZ 2.96Å; K446-M511 HydrophobicContact CB-CE 3.88Å; K446-M511 HydrophobicContact CB-SD 3.79Å; K446-E857 IonicContact NZ-OE1 2.79Å; K446-E857 PolarHBondContact NZ-OE1 3.45Å
447	G	91.5	Very high	88.1	Confident	10 Å²	10	39.5 Å²	39.5	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.3	165.2	-176.8	0	0	0	0	0	112.5	G443 Y449	G443-G447 PolarHBondContact N-O 3.12Å; G443-G447 CarbonylContact O-C 3.53Å; G443-G447 WeakPolarHBondContact O-CA 3.1Å; G443-G447 PolarHBondContact O-N 2.86Å; G447-Y449 WeakPolarHBondContact O-CD2 3.45Å
448	V	93.6	Very high	88.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.4	-178.8	-174.7	0	0	0	0	110	L440 Y441 L470 V486	L440-V448 HydrophobicContact CB-CG1 4Å; L440-V448 HydrophobicContact CD1-CG1 4.22Å; L440-V448 HydrophobicContact CD2-CG1 4.18Å; L440-V448 HydrophobicContact CG-CG1 4.36Å; Y441-V448 CarbonylContact O-C 3.5Å; Y441-V448 WeakPolarHBondContact O-CA 3.33Å; V448-L470 HydrophobicContact CG1-CD1 4.08Å; V448-L470 PolarHBondContact O-N 3.5Å; V448-V486 HydrophobicContact CB-CG2 4.23Å; V448-V486 HydrophobicContact CG1-CB 4.48Å; V448-V486 HydrophobicContact CG1-CG1 4.28Å; V448-V486 HydrophobicContact CG2-CB 4.41Å; V448-V486 HydrophobicContact CG2-CG2 3.79Å
449	Y	94.4	Very high	88.5	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.9	-177.3	-68.7	-105.4	0	0	0	110.9	L440 Y441 G447 D468 K469 D504 S507 Y508 M511	L440-Y449 CarbonylContact C-O 3.49Å; L440-Y449 WeakPolarHBondContact CA-O 3.37Å; Y441-Y449 PolarHBondContact N-O 2.91Å; Y441-Y449 PolarHBondContact O-N 2.87Å; G447-Y449 WeakPolarHBondContact O-CD2 3.45Å; Y449-D468 CarbonylContact C-O 3.55Å; Y449-D468 VanDerWaalsContact CA-O 3.23Å; Y449-D468 WeakPolarHBondContact CA-O 3.29Å; Y449-K469 HydrophobicContact CD1-CB 3.82Å; Y449-K469 HydrophobicContact CD1-CG 4.27Å; Y449-K469 HydrophobicContact CD2-CG 4.36Å; Y449-K469 HydrophobicContact CE1-CB 3.59Å; Y449-K469 HydrophobicContact CE1-CD 4.18Å; Y449-K469 HydrophobicContact CE1-CG 3.92Å; Y449-K469 HydrophobicContact CE2-CD 4.17Å; Y449-K469 HydrophobicContact CE2-CG 3.98Å; Y449-K469 HydrophobicContact CG-CB 4.41Å; Y449-K469 HydrophobicContact CG-CG 4.49Å; Y449-K469 WeakPolarHBondContact OH-CD 3.46Å; Y449-K469 PolarHBondContact OH-NZ 3.39Å; Y449-D504 HydrophobicContact CE1-CB 4.44Å; Y449-S507 WeakPolarHBondContact OH-CB 3.25Å; Y449-Y508 HydrophobicContact CD1-CD2 4.48Å; Y449-Y508 HydrophobicContact CG-CD2 4.38Å; Y449-M511 HydrophobicContact CD2-CE 3.95Å; Y449-M511 HydrophobicContact CD2-SD 3.91Å; Y449-M511 HydrophobicContact CE2-CE 3.94Å; Y449-M511 HydrophobicContact CE2-SD 3.41Å; Y449-M511 WeakPolarHBondContact CE2-SD 3.39Å
450	V	93.3	Very high	88.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.2	169.5	178.7	0	0	0	0	108.5	L438 V453 V464 G467 D468 L470	L438-V450 HydrophobicContact CD2-CG1 3.76Å; L438-V450 HydrophobicContact CD2-CG2 3.96Å; V450-V453 HydrophobicContact CG1-CG2 3.67Å; V450-V464 HydrophobicContact CG1-CG1 4.36Å; V450-V464 HydrophobicContact CG2-CG1 3.9Å; V450-G467 PolarHBondContact O-N 3.47Å; V450-D468 HydrophobicContact CB-CB 4.28Å; V450-D468 HydrophobicContact CG2-CB 4.13Å; V450-D468 PolarHBondContact N-O 3.3Å; V450-L470 HydrophobicContact CG2-CD1 4.38Å; V450-L470 HydrophobicContact CG2-CG 4.41Å
451	S	90.3	Very high	88.5	Confident	22 Å²	22	47 Å²	47	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-25.1	176.1	53.4	0	0	0	0	113.4	I439 L440 E466 Y508	I439-S451 PolarHBondContact O-N 2.9Å; I439-S451 PolarHBondContact O-OG 3Å; L440-S451 PolarHBondContact O-OG 3.18Å; S451-E466 WeakPolarHBondContact O-CG 3.44Å; S451-Y508 VanDerWaalsContact CA-OH 3.26Å; S451-Y508 WeakPolarHBondContact CA-OH 3.45Å; S451-Y508 WeakPolarHBondContact CB-OH 3.18Å; S451-Y508 PolarHBondContact O-OH 2.96Å
452	K	88.6	Confident	88.5	Confident	119 Å²	119	45.6 Å²	45.6	52%	0.517	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	142.2	172	-172.7	167.8	-177.4	173.1	0	110.5	I439	I439-K452 HydrophobicContact CB-CB 4.06Å; I439-K452 HydrophobicContact CD1-CB 4.02Å; I439-K452 HydrophobicContact CD1-CD 4.25Å; I439-K452 HydrophobicContact CD1-CG 4.45Å; I439-K452 HydrophobicContact CG1-CB 4.1Å; I439-K452 PolarHBondContact N-O 3.49Å
453	V	88.1	Confident	88.4	Confident	20 Å²	20	47 Å²	47	12%	0.121	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.7	166.1	-172.6	0	0	0	0	107.9	G437 L438 V450 A459 D460 V464	G437-V453 CarbonylContact O-C 3.49Å; G437-V453 WeakPolarHBondContact O-CA 3.4Å; L438-V453 HydrophobicContact CD2-CG2 4.11Å; V450-V453 HydrophobicContact CG1-CG2 3.67Å; V453-A459 HydrophobicContact CG1-CB 3.9Å; V453-D460 HydrophobicContact CG1-CB 3.78Å; V453-V464 HydrophobicContact CG2-CB 4.45Å; V453-V464 HydrophobicContact CG2-CG1 4.35Å
454	I	82.5	Confident	88.5	Confident	79 Å²	79	47.3 Å²	47.3	41%	0.405	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-78.7	125.7	174.1	-60	-175.1	0	0	0	107.6	G437 S457	G437-I454 PolarHBondContact O-N 3.12Å; I454-S457 WeakPolarHBondContact O-CB 3.27Å; I454-S457 PolarHBondContact O-N 3.3Å; I454-S457 PolarHBondContact O-OG 3.4Å
455	P	79.9	Confident	88.4	Confident	90 Å²	90	47.8 Å²	47.8	58%	0.584	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	147.8	177.1	-26.6	35.3	0	0	0	112.5	S457 D460	P455-S457 PolarHBondContact O-N 2.96Å; P455-D460 WeakPolarHBondContact CA-OD2 3.3Å
456	D	80.9	Confident	88.5	Confident	136 Å²	136	50.6 Å²	50.6	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	2	-178.7	-57.5	-54.2	0	0	0	115.3	D460 Q461	D456-D460 PolarHBondContact N-OD2 2.85Å; D456-Q461 PolarHBondContact O-NE2 3.5Å
457	S	83.9	Confident	88.7	Confident	16 Å²	16	46.1 Å²	46.1	11%	0.112	26%	0.259	C	S	.	.	S	Bend	trans	-73.7	170.6	178.5	71.8	0	0	0	0	113.6	I436 I454 P455 A459 D460 Q461	I436-S457 PolarHBondContact O-OG 3.06Å; I454-S457 WeakPolarHBondContact O-CB 3.27Å; I454-S457 PolarHBondContact O-N 3.3Å; I454-S457 PolarHBondContact O-OG 3.4Å; P455-S457 PolarHBondContact O-N 2.96Å; S457-A459 PolarHBondContact O-N 2.93Å; S457-D460 WeakPolarHBondContact O-CB 3.41Å; S457-D460 PolarHBondContact O-N 3.37Å; S457-D460 VanDerWaalsContact O-N 3.16Å; S457-D460 PolarHBondContact OG-N 3.04Å; S457-Q461 VanDerWaalsContact O-CG 3.3Å; S457-Q461 WeakPolarHBondContact O-CG 3.33Å; S457-Q461 PolarHBondContact O-N 3.34Å
458	I	85.3	Confident	88.8	Confident	25 Å²	25	45.6 Å²	45.6	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-35.3	178.1	-56.3	179	0	0	0	110.9	L427 T429 C434 A462	L427-I458 HydrophobicContact CB-CG2 3.96Å; L427-I458 HydrophobicContact CD2-CG2 3.87Å; L427-I458 VanDerWaalsContact CD2-O 3.3Å; L427-I458 WeakPolarHBondContact CD2-O 3.28Å; T429-I458 HydrophobicContact CG2-CD1 3.64Å; C434-I458 HydrophobicContact CB-CD1 3.88Å; I458-A462 VanDerWaalsContact O-CB 3.23Å; I458-A462 WeakPolarHBondContact O-CB 3.28Å; I458-A462 PolarHBondContact O-N 2.76Å; I458-A462 VanDerWaalsContact O-N 3.1Å
459	A	88.4	Confident	88.9	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-42.7	173.8	0	0	0	0	0	113.1	L427 I436 L438 V453 S457 A462 G463 V464	L427-A459 HydrophobicContact CD2-CB 4.43Å; I436-A459 HydrophobicContact CG2-CB 4.36Å; I436-A459 WeakPolarHBondContact O-CB 3.28Å; I436-A459 PolarHBondContact O-N 2.91Å; L438-A459 HydrophobicContact CD1-CB 4.45Å; L438-A459 HydrophobicContact CD2-CB 3.5Å; L438-A459 HydrophobicContact CG-CB 3.77Å; V453-A459 HydrophobicContact CG1-CB 3.9Å; S457-A459 PolarHBondContact O-N 2.93Å; A459-A462 PolarHBondContact O-N 2.92Å; A459-G463 PolarHBondContact O-N 2.77Å; A459-V464 HydrophobicContact CB-CB 4.09Å; A459-V464 HydrophobicContact CB-CG2 4.04Å; A459-V464 WeakPolarHBondContact O-CB 3.48Å; A459-V464 WeakPolarHBondContact O-CG2 3.44Å; A459-V464 PolarHBondContact O-N 3.21Å
460	D	88.7	Confident	88.9	Confident	73 Å²	73	48.1 Å²	48.1	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-50.4	178.4	-165.1	34.9	0	0	0	110.9	V453 P455 D456 S457 A462 G463	V453-D460 HydrophobicContact CG1-CB 3.78Å; P455-D460 WeakPolarHBondContact CA-OD2 3.3Å; D456-D460 PolarHBondContact N-OD2 2.85Å; S457-D460 WeakPolarHBondContact O-CB 3.41Å; S457-D460 PolarHBondContact O-N 3.37Å; S457-D460 VanDerWaalsContact O-N 3.16Å; S457-D460 PolarHBondContact OG-N 3.04Å; D460-A462 PolarHBondContact O-N 2.77Å; D460-G463 WeakPolarHBondContact O-CA 3.4Å; D460-G463 PolarHBondContact O-N 2.92Å
461	Q	88.1	Confident	88.9	Confident	152 Å²	152	49.5 Å²	49.5	71%	0.71	27%	0.273	S	S	*	.	H	α-helix	trans	-60.6	-29	176.8	-67.1	175.1	30	0	0	113.3	D456 S457 G463	D456-Q461 PolarHBondContact O-NE2 3.5Å; S457-Q461 VanDerWaalsContact O-CG 3.3Å; S457-Q461 WeakPolarHBondContact O-CG 3.33Å; S457-Q461 PolarHBondContact O-N 3.34Å; Q461-G463 VanDerWaalsContact C-N 3.33Å
462	A	89	Confident	89.1	Confident	34 Å²	34	51.2 Å²	51.2	28%	0.281	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.9	176.4	0	0	0	0	0	113.4	V425 L427 I458 A459 D460	V425-A462 HydrophobicContact CG1-CB 3.43Å; V425-A462 VanDerWaalsContact CG1-CB 3.43Å; V425-A462 VanDerWaalsContact CG1-O 3.3Å; V425-A462 WeakPolarHBondContact CG1-O 3.47Å; L427-A462 HydrophobicContact CD2-CB 3.49Å; L427-A462 VanDerWaalsContact CD2-CB 3.49Å; I458-A462 VanDerWaalsContact O-CB 3.23Å; I458-A462 WeakPolarHBondContact O-CB 3.28Å; I458-A462 PolarHBondContact O-N 2.76Å; I458-A462 VanDerWaalsContact O-N 3.1Å; A459-A462 PolarHBondContact O-N 2.92Å; D460-A462 PolarHBondContact O-N 2.77Å
463	G	88.9	Confident	89.3	Confident	33 Å²	33	45.9 Å²	45.9	34%	0.34	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	22.7	174.2	0	0	0	0	0	115	R423 A459 D460 Q461 S465	R423-G463 PolarHBondContact NH1-O 3.45Å; R423-G463 PolarHBondContact NH2-O 3.11Å; A459-G463 PolarHBondContact O-N 2.77Å; D460-G463 WeakPolarHBondContact O-CA 3.4Å; D460-G463 PolarHBondContact O-N 2.92Å; Q461-G463 VanDerWaalsContact C-N 3.33Å; G463-S465 PolarHBondContact O-OG 2.82Å
464	V	92.5	Very high	89.4	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	27%	0.269	C	S	.	.			trans	-65.7	148.9	168.1	-171	0	0	0	0	108.8	V425 L427 L438 V450 V453 A459 D468 L501	V425-V464 HydrophobicContact CG1-CG2 3.95Å; L427-V464 HydrophobicContact CD2-CG2 4.47Å; L438-V464 HydrophobicContact CD2-CB 4.28Å; L438-V464 HydrophobicContact CD2-CG1 3.69Å; V450-V464 HydrophobicContact CG1-CG1 4.36Å; V450-V464 HydrophobicContact CG2-CG1 3.9Å; V453-V464 HydrophobicContact CG2-CB 4.45Å; V453-V464 HydrophobicContact CG2-CG1 4.35Å; A459-V464 HydrophobicContact CB-CB 4.09Å; A459-V464 HydrophobicContact CB-CG2 4.04Å; A459-V464 WeakPolarHBondContact O-CB 3.48Å; A459-V464 WeakPolarHBondContact O-CG2 3.44Å; A459-V464 PolarHBondContact O-N 3.21Å; V464-D468 WeakPolarHBondContact CG1-OD2 3.35Å; V464-L501 HydrophobicContact CB-CD1 4.38Å; V464-L501 HydrophobicContact CG1-CD1 3.92Å; V464-L501 HydrophobicContact CG2-CD1 4.01Å
465	S	90.9	Very high	89.6	Confident	45 Å²	45	47.3 Å²	47.3	32%	0.315	27%	0.274	S	S	.	.			trans	-140.7	156.7	-173.1	-46.5	0	0	0	0	112	R423 G463 D468	R423-S465 PolarHBondContact NH2-OG 3.35Å; G463-S465 PolarHBondContact O-OG 2.82Å; S465-D468 PolarHBondContact N-OD2 3.32Å; S465-D468 WeakPolarHBondContact O-CB 3.28Å; S465-D468 PolarHBondContact O-N 3.1Å
466	E	92	Very high	90	Very high	104 Å²	104	46.1 Å²	46.1	49%	0.486	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	140.9	171	-178	172.7	-179.3	0	0	110.8	S451 D468 H503 Y508	S451-E466 WeakPolarHBondContact O-CG 3.44Å; E466-D468 VanDerWaalsContact C-N 3.32Å; E466-H503 PolarHBondContact O-CE1 3.09Å; E466-Y508 HydrophobicContact CG-CD1 4.49Å; E466-Y508 HydrophobicContact CG-CE1 3.61Å; E466-Y508 VanDerWaalsContact OE1-CE1 3.26Å; E466-Y508 WeakPolarHBondContact OE1-CE1 3.3Å; E466-Y508 PolarHBondContact OE1-OH 3.25Å
467	G	91.6	Very high	90.6	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	1.3	-174.8	0	0	0	0	0	114.8	V450 K469 D504	V450-G467 PolarHBondContact O-N 3.47Å; G467-K469 PolarHBondContact O-N 3.42Å; G467-D504 CarbonylContact O-C 3.52Å; G467-D504 VanDerWaalsContact O-C 3.3Å; G467-D504 PolarHBondContact O-N 2.85Å; G467-D504 VanDerWaalsContact O-N 3.08Å
468	D	95	Very high	91	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.1	168.9	-74.8	-21.2	0	0	0	111.5	R423 Y449 V450 V464 S465 E466 L501 H503	R423-D468 IonicContact CZ-OD1 3.49Å; R423-D468 IonicContact CZ-OD2 3.39Å; R423-D468 IonicContact NE-OD1 3.29Å; R423-D468 PolarHBondContact NE-OD1 2.88Å; R423-D468 IonicContact NE-OD2 3.57Å; R423-D468 IonicContact NH2-OD1 2.88Å; R423-D468 PolarHBondContact NH2-OD1 2.89Å; R423-D468 IonicContact NH2-OD2 2.67Å; R423-D468 PolarHBondContact NH2-OD2 2.81Å; Y449-D468 CarbonylContact C-O 3.55Å; Y449-D468 VanDerWaalsContact CA-O 3.23Å; Y449-D468 WeakPolarHBondContact CA-O 3.29Å; V450-D468 HydrophobicContact CB-CB 4.28Å; V450-D468 HydrophobicContact CG2-CB 4.13Å; V450-D468 PolarHBondContact N-O 3.3Å; V464-D468 WeakPolarHBondContact CG1-OD2 3.35Å; S465-D468 PolarHBondContact N-OD2 3.32Å; S465-D468 WeakPolarHBondContact O-CB 3.28Å; S465-D468 PolarHBondContact O-N 3.1Å; E466-D468 VanDerWaalsContact C-N 3.32Å; D468-L501 HydrophobicContact CB-CB 4.42Å; D468-L501 HydrophobicContact CB-CD1 4.46Å; D468-L501 HydrophobicContact CB-CD2 4.5Å; D468-H503 IonicContact OD1-CG 3.61Å; D468-H503 IonicContact OD1-ND1 2.94Å; D468-H503 PolarHBondContact OD1-ND1 3.48Å
469	K	94.9	Very high	91.2	Very high	52 Å²	52	48 Å²	48	23%	0.226	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.2	165	-166.1	177.7	-163	144.5	0	110.3	K446 Y449 G467 V471 L501 L502	K446-K469 VanDerWaalsContact O-CE 3.29Å; K446-K469 WeakPolarHBondContact O-CE 3.08Å; K446-K469 PolarHBondContact O-NZ 2.96Å; Y449-K469 HydrophobicContact CD1-CB 3.82Å; Y449-K469 HydrophobicContact CD1-CG 4.27Å; Y449-K469 HydrophobicContact CD2-CG 4.36Å; Y449-K469 HydrophobicContact CE1-CB 3.59Å; Y449-K469 HydrophobicContact CE1-CD 4.18Å; Y449-K469 HydrophobicContact CE1-CG 3.92Å; Y449-K469 HydrophobicContact CE2-CD 4.17Å; Y449-K469 HydrophobicContact CE2-CG 3.98Å; Y449-K469 HydrophobicContact CG-CB 4.41Å; Y449-K469 HydrophobicContact CG-CG 4.49Å; Y449-K469 WeakPolarHBondContact OH-CD 3.46Å; Y449-K469 PolarHBondContact OH-NZ 3.39Å; G467-K469 PolarHBondContact O-N 3.42Å; K469-V471 PolarHBondContact O-N 3.33Å; K469-L501 CarbonylContact O-C 3.45Å; K469-L501 VanDerWaalsContact O-CA 3.26Å; K469-L501 WeakPolarHBondContact O-CA 3.47Å; K469-L502 HydrophobicContact CB-CB 4.21Å; K469-L502 WeakPolarHBondContact CB-O 3.44Å; K469-L502 PolarHBondContact N-O 3.3Å; K469-L502 PolarHBondContact O-N 3.38Å
470	L	94.1	Very high	91.2	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	102.2	170.7	-72.4	155.7	0	0	0	108.7	L440 V448 V450 L478 V486 L499 L501	L440-L470 HydrophobicContact CD2-CD1 3.55Å; V448-L470 HydrophobicContact CG1-CD1 4.08Å; V448-L470 PolarHBondContact O-N 3.5Å; V450-L470 HydrophobicContact CG2-CD1 4.38Å; V450-L470 HydrophobicContact CG2-CG 4.41Å; L470-L478 HydrophobicContact CB-CD1 3.86Å; L470-V486 HydrophobicContact CD1-CG1 4.07Å; L470-L499 HydrophobicContact CD2-CD1 3.97Å; L470-L499 HydrophobicContact CD2-CD2 3.88Å; L470-L499 HydrophobicContact CD2-CG 4.41Å; L470-L501 HydrophobicContact CD2-CD2 3.49Å; L470-L501 VanDerWaalsContact CD2-CD2 3.49Å; L470-L501 HydrophobicContact CG-CD2 4.08Å
471	V	94.4	Very high	91.4	Very high	29 Å²	29	47.3 Å²	47.3	18%	0.176	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-46.7	-177.9	-171.5	0	0	0	0	111.1	K469 L478 E500 L502	K469-V471 PolarHBondContact O-N 3.33Å; V471-L478 WeakPolarHBondContact O-CB 3.26Å; V471-L478 PolarHBondContact O-N 3.47Å; V471-E500 WeakPolarHBondContact CA-O 3.37Å; V471-E500 WeakPolarHBondContact CB-O 3.48Å; V471-E500 PolarHBondContact N-O 2.93Å; V471-L502 HydrophobicContact CG2-CB 3.64Å
472	K	94.3	Very high	91.7	Very high	59 Å²	59	40.2 Å²	40.2	26%	0.257	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.9	178.3	-49.6	-164.8	174.5	-175.7	0	112.7	T476 D477 L499 E500	K472-T476 CarbonylContact C-O 3.56Å; K472-T476 WeakPolarHBondContact CA-O 3.45Å; K472-T476 VanDerWaalsContact CB-O 3.25Å; K472-T476 WeakPolarHBondContact CB-O 3.39Å; K472-D477 IonicContact NZ-OD2 3.96Å; K472-L499 WeakPolarHBondContact O-CA 3.36Å; K472-E500 HydrophobicContact CB-CB 3.83Å; K472-E500 HydrophobicContact CB-CG 3.92Å; K472-E500 HydrophobicContact CG-CB 4.17Å; K472-E500 HydrophobicContact CG-CG 4.42Å; K472-E500 PolarHBondContact N-O 2.88Å; K472-E500 PolarHBondContact O-N 2.83Å
473	L	91.2	Very high	91.8	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.8	172.5	170.8	59.1	0	0	0	109.2	G475 T476 L478 A489 L490 M497 L499	L473-G475 PolarHBondContact O-N 2.9Å; L473-G475 VanDerWaalsContact O-N 3.09Å; L473-T476 PolarHBondContact N-O 2.73Å; L473-T476 VanDerWaalsContact O-CB 3.26Å; L473-T476 WeakPolarHBondContact O-CB 3.31Å; L473-T476 PolarHBondContact O-N 2.87Å; L473-T476 PolarHBondContact O-OG1 2.94Å; L473-L478 HydrophobicContact CB-CD1 4.04Å; L473-L478 HydrophobicContact CB-CD2 4.08Å; L473-L478 HydrophobicContact CB-CG 4.32Å; L473-A489 HydrophobicContact CD2-CB 3.5Å; L473-A489 VanDerWaalsContact CD2-CB 3.5Å; L473-L490 HydrophobicContact CD1-CD2 4.14Å; L473-L490 HydrophobicContact CD2-CD2 4.2Å; L473-L490 HydrophobicContact CD2-CG 4.41Å; L473-M497 HydrophobicContact CD1-CE 3.98Å; L473-M497 HydrophobicContact CD1-CG 3.41Å; L473-M497 VanDerWaalsContact CD1-CG 3.41Å; L473-M497 HydrophobicContact CD1-SD 3.64Å; L473-L499 HydrophobicContact CD1-CD2 3.73Å
474	N	90	Very high	91.9	Very high	78 Å²	78	38.4 Å²	38.4	42%	0.417	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	28.2	-178.3	-56.6	-33	0	0	0	113.9	S493 M497 I498	N474-S493 PolarHBondContact ND2-OG 2.87Å; N474-M497 WeakPolarHBondContact OD1-CA 3.3Å; N474-I498 PolarHBondContact N-O 3Å; N474-I498 PolarHBondContact OD1-N 3.45Å
475	G	88.1	Confident	91.8	Very high	50 Å²	50	39.7 Å²	39.7	52%	0.515	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-9.8	-176.1	0	0	0	0	0	115.1	L473	L473-G475 PolarHBondContact O-N 2.9Å; L473-G475 VanDerWaalsContact O-N 3.09Å
476	T	88.4	Confident	91.8	Very high	66 Å²	66	37.6 Å²	37.6	41%	0.405	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.5	170.9	-53.4	0	0	0	0	109.7	K472 L473 W481	K472-T476 CarbonylContact C-O 3.56Å; K472-T476 WeakPolarHBondContact CA-O 3.45Å; K472-T476 VanDerWaalsContact CB-O 3.25Å; K472-T476 WeakPolarHBondContact CB-O 3.39Å; L473-T476 PolarHBondContact N-O 2.73Å; L473-T476 VanDerWaalsContact O-CB 3.26Å; L473-T476 WeakPolarHBondContact O-CB 3.31Å; L473-T476 PolarHBondContact O-N 2.87Å; L473-T476 PolarHBondContact O-OG1 2.94Å; T476-W481 HydrophobicContact CG2-CH2 4.24Å; T476-W481 HydrophobicContact CG2-CZ2 3.65Å
477	D	92.3	Very high	91.5	Very high	70 Å²	70	34.5 Å²	34.5	37%	0.374	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.9	174.6	-154.1	-48.7	0	0	0	110.8	K472 K479 W481	K472-D477 IonicContact NZ-OD2 3.96Å; D477-K479 WeakPolarHBondContact OD1-CB 3.46Å; D477-K479 PolarHBondContact OD1-N 3.29Å; D477-W481 PolarHBondContact O-NE1 3.34Å
478	L	92	Very high	91.1	Very high	5 Å²	5	36 Å²	36	3%	0.026	20%	0.197	C	C	.	.			trans	-100.1	5.9	-178.9	-59.5	179.1	0	0	0	113	L470 V471 L473 G480 W481 V486	L470-L478 HydrophobicContact CB-CD1 3.86Å; V471-L478 WeakPolarHBondContact O-CB 3.26Å; V471-L478 PolarHBondContact O-N 3.47Å; L473-L478 HydrophobicContact CB-CD1 4.04Å; L473-L478 HydrophobicContact CB-CD2 4.08Å; L473-L478 HydrophobicContact CB-CG 4.32Å; L478-G480 PolarHBondContact O-N 3.15Å; L478-W481 HydrophobicContact CB-CG 4.42Å; L478-W481 HydrophobicContact CD2-CD2 3.74Å; L478-W481 HydrophobicContact CD2-CE3 3.85Å; L478-W481 HydrophobicContact CD2-CG 4.14Å; L478-W481 HydrophobicContact CD2-CZ2 4.41Å; L478-W481 HydrophobicContact CD2-CZ3 4.28Å; L478-W481 WeakPolarHBondContact O-CB 3.27Å; L478-W481 PolarHBondContact O-N 2.84Å; L478-W481 VanDerWaalsContact O-N 3.12Å; L478-V486 HydrophobicContact CD1-CG1 4.48Å; L478-V486 HydrophobicContact CD1-CG2 4.32Å; L478-V486 HydrophobicContact CD2-CG2 4.28Å
479	K	90.3	Very high	90.6	Very high	142 Å²	142	37 Å²	37	62%	0.617	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.8	171.2	-172.8	-174.8	178.7	-170.7	0	110	D477	D477-K479 WeakPolarHBondContact OD1-CB 3.46Å; D477-K479 PolarHBondContact OD1-N 3.29Å
480	G	88.9	Confident	90.1	Very high	31 Å²	31	35 Å²	35	32%	0.32	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	6.7	-179.8	0	0	0	0	0	115.5	N444 L478	N444-G480 VanDerWaalsContact CB-O 3.25Å; N444-G480 WeakPolarHBondContact CB-O 3.25Å; L478-G480 PolarHBondContact O-N 3.15Å
481	W	93.1	Very high	89.3	Confident	27 Å²	27	36.8 Å²	36.8	10%	0.102	21%	0.205	C	C	.	.			trans	-88.7	140.2	178.9	-70.4	48.9	0	0	0	112.4	G443 N444 T476 D477 L478 E485 V486 A489 L995	G443-W481 CarbonylContact C-O 3.53Å; N444-W481 VanDerWaalsContact CA-O 3.24Å; N444-W481 WeakPolarHBondContact CA-O 3.39Å; N444-W481 PolarHBondContact N-O 3.04Å; T476-W481 HydrophobicContact CG2-CH2 4.24Å; T476-W481 HydrophobicContact CG2-CZ2 3.65Å; D477-W481 PolarHBondContact O-NE1 3.34Å; L478-W481 HydrophobicContact CB-CG 4.42Å; L478-W481 HydrophobicContact CD2-CD2 3.74Å; L478-W481 HydrophobicContact CD2-CE3 3.85Å; L478-W481 HydrophobicContact CD2-CG 4.14Å; L478-W481 HydrophobicContact CD2-CZ2 4.41Å; L478-W481 HydrophobicContact CD2-CZ3 4.28Å; L478-W481 WeakPolarHBondContact O-CB 3.27Å; L478-W481 PolarHBondContact O-N 2.84Å; L478-W481 VanDerWaalsContact O-N 3.12Å; W481-E485 HydrophobicContact CD2-CB 4.39Å; W481-E485 HydrophobicContact CE3-CB 3.63Å; W481-E485 HydrophobicContact CZ3-CB 4.21Å; W481-V486 HydrophobicContact CB-CG2 3.76Å; W481-V486 HydrophobicContact CE3-CG2 4.31Å; W481-A489 HydrophobicContact CZ3-CB 3.87Å; W481-L995 HydrophobicContact CH2-CD1 3.76Å; W481-L995 HydrophobicContact CH2-CD2 4.38Å; W481-L995 HydrophobicContact CZ2-CD1 3.5Å
482	T	94	Very high	88.2	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.222	C	C	.	.			trans	-74.1	162.3	171.9	60.4	0	0	0	0	112.2	N444 E484 E485 V486 E519 F521 T561	N444-T482 HydrophobicContact CB-CG2 4.14Å; T482-E484 VanDerWaalsContact C-N 3.34Å; T482-E484 PolarHBondContact O-N 2.78Å; T482-E485 WeakPolarHBondContact CB-OE2 3.29Å; T482-E485 WeakPolarHBondContact CG2-OE2 3.4Å; T482-E485 PolarHBondContact N-OE2 3.4Å; T482-E485 PolarHBondContact O-N 3.04Å; T482-E485 WeakPolarHBondContact OG1-CB 3.37Å; T482-E485 WeakPolarHBondContact OG1-CG 3.41Å; T482-E485 PolarHBondContact OG1-N 2.94Å; T482-E485 PolarHBondContact OG1-OE2 3.45Å; T482-V486 WeakPolarHBondContact O-CG2 3.1Å; T482-V486 PolarHBondContact O-N 3.3Å; T482-E519 WeakPolarHBondContact CA-OE1 3.46Å; T482-E519 WeakPolarHBondContact CB-OE1 3.41Å; T482-F521 HydrophobicContact CG2-CD1 4.03Å; T482-F521 HydrophobicContact CG2-CE1 3.54Å; T482-F521 HydrophobicContact CG2-CZ 4.24Å; T482-T561 HydrophobicContact CG2-CG2 3.87Å
483	K	91.8	Very high	87	Confident	17 Å²	17	37 Å²	37	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-42.6	173.5	-69	-175.7	-67.4	173.1	0	111.4	G442 F487 E519 D560 T561 L562	G442-K483 VanDerWaalsContact O-CD 3.28Å; G442-K483 WeakPolarHBondContact O-CD 3.49Å; G442-K483 WeakPolarHBondContact O-CG 3.14Å; K483-F487 WeakPolarHBondContact O-CB 3.34Å; K483-F487 PolarHBondContact O-N 3Å; K483-E519 WeakPolarHBondContact CE-OE2 3.39Å; K483-E519 PolarHBondContact N-OE1 2.78Å; K483-E519 IonicContact NZ-OE2 3.92Å; K483-D560 WeakPolarHBondContact CE-OD1 3.37Å; K483-D560 IonicContact NZ-OD1 3.9Å; K483-D560 PolarHBondContact NZ-OD1 3.45Å; K483-D560 IonicContact NZ-OD2 2.72Å; K483-D560 PolarHBondContact NZ-OD2 2.94Å; K483-T561 PolarHBondContact N-OG1 2.92Å; K483-L562 HydrophobicContact CB-CB 3.79Å; K483-L562 HydrophobicContact CB-CD2 4.31Å
484	E	89.7	Confident	85.9	Confident	11 Å²	11	43.6 Å²	43.6	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-47.1	175	176.4	165.9	132.8	0	0	111.5	T482 F487 L488 T561 L567 W570 N587	T482-E484 VanDerWaalsContact C-N 3.34Å; T482-E484 PolarHBondContact O-N 2.78Å; E484-F487 PolarHBondContact O-N 2.95Å; E484-L488 HydrophobicContact CG-CD1 3.74Å; E484-L488 HydrophobicContact CG-CG 4.19Å; E484-L488 WeakPolarHBondContact O-CB 3.06Å; E484-L488 VanDerWaalsContact O-CG 3.27Å; E484-L488 WeakPolarHBondContact O-CG 3.26Å; E484-L488 PolarHBondContact O-N 3.39Å; E484-T561 PolarHBondContact N-OG1 2.86Å; E484-L567 HydrophobicContact CB-CD2 4.38Å; E484-L567 HydrophobicContact CG-CD2 3.65Å; E484-W570 PolarHBondContact OE2-NE1 3.26Å; E484-N587 VanDerWaalsContact CD-ND2 3.3Å; E484-N587 PolarHBondContact OE1-ND2 2.79Å; E484-N587 WeakPolarHBondContact OE2-CB 3.38Å; E484-N587 PolarHBondContact OE2-ND2 3.44Å
485	E	90.7	Very high	84.9	Confident	33 Å²	33	45.2 Å²	45.2	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-44.3	179.4	-72.3	159.2	152.1	0	0	112.2	W481 T482 L488 A489 R615 L992	W481-E485 HydrophobicContact CD2-CB 4.39Å; W481-E485 HydrophobicContact CE3-CB 3.63Å; W481-E485 HydrophobicContact CZ3-CB 4.21Å; T482-E485 WeakPolarHBondContact CB-OE2 3.29Å; T482-E485 WeakPolarHBondContact CG2-OE2 3.4Å; T482-E485 PolarHBondContact N-OE2 3.4Å; T482-E485 PolarHBondContact O-N 3.04Å; T482-E485 WeakPolarHBondContact OG1-CB 3.37Å; T482-E485 WeakPolarHBondContact OG1-CG 3.41Å; T482-E485 PolarHBondContact OG1-N 2.94Å; T482-E485 PolarHBondContact OG1-OE2 3.45Å; E485-L488 PolarHBondContact O-N 3.34Å; E485-A489 WeakPolarHBondContact O-CB 3.28Å; E485-A489 PolarHBondContact O-N 3.23Å; E485-R615 IonicContact OE1-CZ 3.85Å; E485-R615 VanDerWaalsContact OE1-CZ 3.3Å; E485-R615 IonicContact OE1-NH1 3.74Å; E485-R615 PolarHBondContact OE1-NH1 3.01Å; E485-R615 IonicContact OE1-NH2 3.54Å; E485-R615 PolarHBondContact OE1-NH2 3.17Å; E485-R615 IonicContact OE2-NH2 2.78Å; E485-L992 WeakPolarHBondContact OE1-CD2 3.08Å
486	V	90.8	Very high	84.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-45.6	175.3	174.4	0	0	0	0	110.6	L440 V448 L470 L478 W481 T482 L488 A489 L490	L440-V486 HydrophobicContact CD1-CB 4.38Å; L440-V486 HydrophobicContact CD1-CG1 4Å; V448-V486 HydrophobicContact CB-CG2 4.23Å; V448-V486 HydrophobicContact CG1-CB 4.48Å; V448-V486 HydrophobicContact CG1-CG1 4.28Å; V448-V486 HydrophobicContact CG2-CB 4.41Å; V448-V486 HydrophobicContact CG2-CG2 3.79Å; L470-V486 HydrophobicContact CD1-CG1 4.07Å; L478-V486 HydrophobicContact CD1-CG1 4.48Å; L478-V486 HydrophobicContact CD1-CG2 4.32Å; L478-V486 HydrophobicContact CD2-CG2 4.28Å; W481-V486 HydrophobicContact CB-CG2 3.76Å; W481-V486 HydrophobicContact CE3-CG2 4.31Å; T482-V486 WeakPolarHBondContact O-CG2 3.1Å; T482-V486 PolarHBondContact O-N 3.3Å; V486-L488 PolarHBondContact O-N 3.3Å; V486-A489 PolarHBondContact O-N 2.88Å; V486-L490 HydrophobicContact CG1-CD1 3.98Å; V486-L490 HydrophobicContact CG1-CG 4.28Å; V486-L490 WeakPolarHBondContact O-CB 3.16Å; V486-L490 WeakPolarHBondContact O-CG 3.2Å; V486-L490 PolarHBondContact O-N 3.26Å
487	F	86.1	Confident	84.5	Confident	39 Å²	39	45.8 Å²	45.8	17%	0.171	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-47.1	177.3	-175.9	-87	0	0	0	111.9	I216 L440 K483 E484 A489 L490 M491 L562 L567	I216-F487 HydrophobicContact CG1-CZ 4.35Å; L440-F487 HydrophobicContact CD1-CB 4.15Å; K483-F487 WeakPolarHBondContact O-CB 3.34Å; K483-F487 PolarHBondContact O-N 3Å; E484-F487 PolarHBondContact O-N 2.95Å; F487-A489 PolarHBondContact O-N 3.41Å; F487-L490 PolarHBondContact O-N 2.98Å; F487-M491 HydrophobicContact CD1-CG 4.02Å; F487-M491 HydrophobicContact CE1-CG 3.66Å; F487-M491 HydrophobicContact CZ-CG 4Å; F487-M491 HydrophobicContact CZ-SD 4.46Å; F487-M491 WeakPolarHBondContact O-CB 3.48Å; F487-M491 VanDerWaalsContact O-CG 3.27Å; F487-M491 WeakPolarHBondContact O-CG 3.44Å; F487-M491 PolarHBondContact O-N 2.84Å; F487-L562 HydrophobicContact CB-CD2 4.35Å; F487-L562 HydrophobicContact CD2-CD2 4.22Å; F487-L562 HydrophobicContact CG-CD1 4.41Å; F487-L562 HydrophobicContact CG-CD2 4.41Å; F487-L567 HydrophobicContact CD1-CD1 3.74Å; F487-L567 HydrophobicContact CD1-CD2 3.99Å; F487-L567 HydrophobicContact CD1-CG 3.89Å; F487-L567 HydrophobicContact CE1-CD1 3.52Å; F487-L567 HydrophobicContact CE1-CD2 4.48Å; F487-L567 HydrophobicContact CE1-CG 3.87Å
488	L	84.1	Confident	84.4	Confident	33 Å²	33	45.5 Å²	45.5	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-41.5	178	-72.7	173.7	0	0	0	111.9	E484 E485 V486 M491 A492 L567	E484-L488 HydrophobicContact CG-CD1 3.74Å; E484-L488 HydrophobicContact CG-CG 4.19Å; E484-L488 WeakPolarHBondContact O-CB 3.06Å; E484-L488 VanDerWaalsContact O-CG 3.27Å; E484-L488 WeakPolarHBondContact O-CG 3.26Å; E484-L488 PolarHBondContact O-N 3.39Å; E485-L488 PolarHBondContact O-N 3.34Å; V486-L488 PolarHBondContact O-N 3.3Å; L488-M491 CarbonylContact O-C 3.46Å; L488-M491 PolarHBondContact O-N 3.24Å; L488-A492 VanDerWaalsContact O-CB 3.26Å; L488-A492 WeakPolarHBondContact O-CB 2.93Å; L488-A492 PolarHBondContact O-N 2.89Å; L488-L567 HydrophobicContact CD2-CD1 3.95Å; L488-L567 HydrophobicContact CD2-CD2 4.37Å; L488-L567 HydrophobicContact CG-CD2 4.4Å
489	A	83.6	Confident	84.4	Confident	19 Å²	19	45.2 Å²	45.2	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-35.5	178.1	0	0	0	0	0	113	L473 W481 E485 V486 F487 A492 S493	L473-A489 HydrophobicContact CD2-CB 3.5Å; L473-A489 VanDerWaalsContact CD2-CB 3.5Å; W481-A489 HydrophobicContact CZ3-CB 3.87Å; E485-A489 WeakPolarHBondContact O-CB 3.28Å; E485-A489 PolarHBondContact O-N 3.23Å; V486-A489 PolarHBondContact O-N 2.88Å; F487-A489 PolarHBondContact O-N 3.41Å; A489-A492 PolarHBondContact O-N 3.25Å; A489-S493 PolarHBondContact O-N 3.02Å; A489-S493 PolarHBondContact O-OG 2.77Å
490	L	83.9	Confident	84.6	Confident	10 Å²	10	39.6 Å²	39.6	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-48.2	169.2	-71.3	172.6	0	0	0	110.2	I436 L440 L473 V486 F487 A492 S493 M497 L499	I436-L490 HydrophobicContact CD1-CB 3.82Å; I436-L490 HydrophobicContact CD1-CD2 4.42Å; L440-L490 HydrophobicContact CD1-CD1 4.26Å; L440-L490 HydrophobicContact CD2-CD1 4.33Å; L473-L490 HydrophobicContact CD1-CD2 4.14Å; L473-L490 HydrophobicContact CD2-CD2 4.2Å; L473-L490 HydrophobicContact CD2-CG 4.41Å; V486-L490 HydrophobicContact CG1-CD1 3.98Å; V486-L490 HydrophobicContact CG1-CG 4.28Å; V486-L490 WeakPolarHBondContact O-CB 3.16Å; V486-L490 WeakPolarHBondContact O-CG 3.2Å; V486-L490 PolarHBondContact O-N 3.26Å; F487-L490 PolarHBondContact O-N 2.98Å; L490-A492 VanDerWaalsContact C-N 3.31Å; L490-A492 PolarHBondContact O-N 3.16Å; L490-S493 PolarHBondContact O-N 2.78Å; L490-M497 HydrophobicContact CB-CE 4.16Å; L490-M497 HydrophobicContact CD2-CE 3.61Å; L490-M497 HydrophobicContact CD2-SD 3.42Å; L490-M497 WeakPolarHBondContact CD2-SD 3.29Å; L490-M497 HydrophobicContact CG-CE 4.49Å; L490-M497 VanDerWaalsContact O-CE 3.24Å; L490-M497 WeakPolarHBondContact O-CE 3.34Å; L490-L499 HydrophobicContact CD2-CD2 3.97Å
491	M	77	Confident	84.9	Confident	44 Å²	44	38.1 Å²	38.1	22%	0.217	20%	0.198	C	C	.	.	H	α-helix	trans	-70.7	-20.4	179.7	-69	-59.5	-78.8	0	0	114.6	I216 K433 F487 L488	I216-M491 HydrophobicContact CD1-CE 4.18Å; K433-M491 PolarHBondContact NZ-O 2.99Å; F487-M491 HydrophobicContact CD1-CG 4.02Å; F487-M491 HydrophobicContact CE1-CG 3.66Å; F487-M491 HydrophobicContact CZ-CG 4Å; F487-M491 HydrophobicContact CZ-SD 4.46Å; F487-M491 WeakPolarHBondContact O-CB 3.48Å; F487-M491 VanDerWaalsContact O-CG 3.27Å; F487-M491 WeakPolarHBondContact O-CG 3.44Å; F487-M491 PolarHBondContact O-N 2.84Å; L488-M491 CarbonylContact O-C 3.46Å; L488-M491 PolarHBondContact O-N 3.24Å
492	A	72.9	Confident	84.9	Confident	63 Å²	63	38.3 Å²	38.3	52%	0.521	20%	0.201	S	C	.	.	H	α-helix	trans	-85.4	-20.7	177.3	0	0	0	0	0	113.5	L488 A489 L490	L488-A492 VanDerWaalsContact O-CB 3.26Å; L488-A492 WeakPolarHBondContact O-CB 2.93Å; L488-A492 PolarHBondContact O-N 2.89Å; A489-A492 PolarHBondContact O-N 3.25Å; L490-A492 VanDerWaalsContact C-N 3.31Å; L490-A492 PolarHBondContact O-N 3.16Å
493	S	68.4	Low	84.9	Confident	28 Å²	28	42.6 Å²	42.6	20%	0.196	22%	0.221	C	C	.	.			trans	-68.2	136.8	-178	-65	0	0	0	0	112.2	N474 A489 L490 M497	N474-S493 PolarHBondContact ND2-OG 2.87Å; A489-S493 PolarHBondContact O-N 3.02Å; A489-S493 PolarHBondContact O-OG 2.77Å; L490-S493 PolarHBondContact O-N 2.78Å; S493-M497 VanDerWaalsContact CB-CE 3.44Å
494	E	67.9	Low	84.9	Confident	147 Å²	147	43.5 Å²	43.5	69%	0.687	23%	0.227	S	C	*	.			trans	-112	132.1	-176.3	-63.1	-172.8	166.7	0	0	112.3	K496	E494-K496 PolarHBondContact O-N 3.34Å
495	N	68.7	Low	84.9	Confident	111 Å²	111	45 Å²	45	59%	0.594	24%	0.238	S	C	*	.	S	Bend	trans	62.4	-41.7	170.5	-61.3	-40.1	0	0	0	117.8	T429	T429-N495 PolarHBondContact N-O 2.96Å; T429-N495 VanDerWaalsContact N-O 3.1Å; T429-N495 VanDerWaalsContact OG1-CA 3.26Å; T429-N495 WeakPolarHBondContact OG1-CA 3.4Å; T429-N495 PolarHBondContact OG1-O 3.29Å
496	K	81.4	Confident	84.8	Confident	119 Å²	119	50.4 Å²	50.4	52%	0.517	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	123.4	-179.6	-174.2	-179	-175.1	175.5	0	110.3	T426 L427 E494	T426-K496 HydrophobicContact CG2-CD 4.3Å; T426-K496 HydrophobicContact CG2-CG 3.96Å; L427-K496 WeakPolarHBondContact O-CA 3.43Å; E494-K496 PolarHBondContact O-N 3.34Å
497	M	86.2	Confident	84.8	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.2	176.8	170.9	-172.1	-61.8	0	0	109.9	T426 L427 I436 L473 N474 L490 S493 L499	T426-M497 CarbonylContact C-O 3.55Å; T426-M497 WeakPolarHBondContact CA-O 3.41Å; L427-M497 HydrophobicContact CB-CB 4.2Å; L427-M497 HydrophobicContact CD1-CG 4.28Å; L427-M497 HydrophobicContact CD1-SD 3.55Å; L427-M497 VanDerWaalsContact CD1-SD 3.55Å; L427-M497 PolarHBondContact N-O 2.81Å; L427-M497 PolarHBondContact O-N 3.43Å; I436-M497 HydrophobicContact CD1-CE 3.62Å; I436-M497 HydrophobicContact CD1-SD 4.37Å; L473-M497 HydrophobicContact CD1-CE 3.98Å; L473-M497 HydrophobicContact CD1-CG 3.41Å; L473-M497 VanDerWaalsContact CD1-CG 3.41Å; L473-M497 HydrophobicContact CD1-SD 3.64Å; N474-M497 WeakPolarHBondContact OD1-CA 3.3Å; L490-M497 HydrophobicContact CB-CE 4.16Å; L490-M497 HydrophobicContact CD2-CE 3.61Å; L490-M497 HydrophobicContact CD2-SD 3.42Å; L490-M497 WeakPolarHBondContact CD2-SD 3.29Å; L490-M497 HydrophobicContact CG-CE 4.49Å; L490-M497 VanDerWaalsContact O-CE 3.24Å; L490-M497 WeakPolarHBondContact O-CE 3.34Å; S493-M497 VanDerWaalsContact CB-CE 3.44Å; M497-L499 HydrophobicContact CG-CD2 4.07Å; M497-L499 HydrophobicContact CG-CG 4.25Å; M497-L499 HydrophobicContact SD-CD1 4.43Å; M497-L499 HydrophobicContact SD-CD2 3.7Å; M497-L499 HydrophobicContact SD-CG 4.03Å
498	I	90.7	Very high	85	Confident	63 Å²	63	51 Å²	51	32%	0.323	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.3	174.3	-58.9	172.8	0	0	0	108	V425 N474	V425-I498 WeakPolarHBondContact O-CA 3.44Å; N474-I498 PolarHBondContact N-O 3Å; N474-I498 PolarHBondContact OD1-N 3.45Å
499	L	92.4	Very high	85.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.9	171.4	-62	-178.7	0	0	0	109.5	K424 V425 L427 L438 L470 K472 L473 L490 M497 L501	K424-L499 CarbonylContact C-O 3.3Å; K424-L499 WeakPolarHBondContact CA-O 3.12Å; V425-L499 HydrophobicContact CB-CB 4.49Å; V425-L499 PolarHBondContact N-O 3.2Å; V425-L499 PolarHBondContact O-N 2.82Å; L427-L499 HydrophobicContact CD1-CD1 3.47Å; L427-L499 VanDerWaalsContact CD1-CD1 3.47Å; L427-L499 HydrophobicContact CD1-CG 3.94Å; L427-L499 HydrophobicContact CG-CD1 4.37Å; L438-L499 HydrophobicContact CD1-CD1 4.28Å; L470-L499 HydrophobicContact CD2-CD1 3.97Å; L470-L499 HydrophobicContact CD2-CD2 3.88Å; L470-L499 HydrophobicContact CD2-CG 4.41Å; K472-L499 WeakPolarHBondContact O-CA 3.36Å; L473-L499 HydrophobicContact CD1-CD2 3.73Å; L490-L499 HydrophobicContact CD2-CD2 3.97Å; M497-L499 HydrophobicContact CG-CD2 4.07Å; M497-L499 HydrophobicContact CG-CG 4.25Å; M497-L499 HydrophobicContact SD-CD1 4.43Å; M497-L499 HydrophobicContact SD-CD2 3.7Å; M497-L499 HydrophobicContact SD-CG 4.03Å; L499-L501 HydrophobicContact CB-CD2 3.95Å; L499-L501 HydrophobicContact CB-CG 4.03Å; L499-L501 HydrophobicContact CD1-CD2 4.3Å
500	E	94.5	Very high	85.4	Confident	23 Å²	23	61.2 Å²	61.2	11%	0.107	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.6	160.6	-52.7	-168.8	-161.3	0	0	107.6	K424 V471 K472	K424-E500 HydrophobicContact CD-CG 3.94Å; K424-E500 WeakPolarHBondContact CE-OE1 3.49Å; K424-E500 WeakPolarHBondContact CE-OE2 3.34Å; K424-E500 HydrophobicContact CG-CG 4.03Å; K424-E500 IonicContact NZ-OE1 2.65Å; K424-E500 PolarHBondContact NZ-OE1 2.77Å; K424-E500 IonicContact NZ-OE2 3.37Å; K424-E500 PolarHBondContact NZ-OE2 2.72Å; V471-E500 WeakPolarHBondContact CA-O 3.37Å; V471-E500 WeakPolarHBondContact CB-O 3.48Å; V471-E500 PolarHBondContact N-O 2.93Å; K472-E500 HydrophobicContact CB-CB 3.83Å; K472-E500 HydrophobicContact CB-CG 3.92Å; K472-E500 HydrophobicContact CG-CB 4.17Å; K472-E500 HydrophobicContact CG-CG 4.42Å; K472-E500 PolarHBondContact N-O 2.88Å; K472-E500 PolarHBondContact O-N 2.83Å
501	L	94.9	Very high	85.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.9	-173.4	-56	174.9	0	0	0	110	N422 R423 V425 V464 D468 K469 L470 L499	N422-L501 CarbonylContact C-O 3.44Å; N422-L501 VanDerWaalsContact CA-O 3.25Å; N422-L501 WeakPolarHBondContact CA-O 3.23Å; R423-L501 HydrophobicContact CG-CB 3.78Å; R423-L501 PolarHBondContact N-O 3.26Å; R423-L501 PolarHBondContact O-N 3.08Å; V425-L501 HydrophobicContact CB-CD1 4.2Å; V425-L501 HydrophobicContact CG2-CD1 3.74Å; V464-L501 HydrophobicContact CB-CD1 4.38Å; V464-L501 HydrophobicContact CG1-CD1 3.92Å; V464-L501 HydrophobicContact CG2-CD1 4.01Å; D468-L501 HydrophobicContact CB-CB 4.42Å; D468-L501 HydrophobicContact CB-CD1 4.46Å; D468-L501 HydrophobicContact CB-CD2 4.5Å; K469-L501 CarbonylContact O-C 3.45Å; K469-L501 VanDerWaalsContact O-CA 3.26Å; K469-L501 WeakPolarHBondContact O-CA 3.47Å; L470-L501 HydrophobicContact CD2-CD2 3.49Å; L470-L501 VanDerWaalsContact CD2-CD2 3.49Å; L470-L501 HydrophobicContact CG-CD2 4.08Å; L499-L501 HydrophobicContact CB-CD2 3.95Å; L499-L501 HydrophobicContact CB-CG 4.03Å; L499-L501 HydrophobicContact CD1-CD2 4.3Å
502	L	94	Very high	85.9	Confident	32 Å²	32	62.9 Å²	62.9	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.3	169.1	179.4	72.8	0	0	0	107.6	P420 K469 V471 D504	P420-L502 HydrophobicContact CB-CD1 3.72Å; P420-L502 HydrophobicContact CG-CD1 4.13Å; P420-L502 VanDerWaalsContact O-CD1 3.3Å; P420-L502 WeakPolarHBondContact O-CD1 3.35Å; K469-L502 HydrophobicContact CB-CB 4.21Å; K469-L502 WeakPolarHBondContact CB-O 3.44Å; K469-L502 PolarHBondContact N-O 3.3Å; K469-L502 PolarHBondContact O-N 3.38Å; V471-L502 HydrophobicContact CG2-CB 3.64Å; L502-D504 HydrophobicContact CG-CB 4.47Å; L502-D504 PolarHBondContact O-N 3.13Å; L502-D504 VanDerWaalsContact O-N 3.1Å
503	H	93.3	Very high	86.4	Confident	92 Å²	92	68.5 Å²	68.5	43%	0.426	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	103.3	177.7	-169.8	65.9	0	0	0	109.1	E466 D468	E466-H503 PolarHBondContact O-CE1 3.09Å; D468-H503 IonicContact OD1-CG 3.61Å; D468-H503 IonicContact OD1-ND1 2.94Å; D468-H503 PolarHBondContact OD1-ND1 3.48Å
504	D	91.1	Very high	86.9	Confident	37 Å²	37	69.1 Å²	69.1	20%	0.198	34%	0.342	C	S	.	.			trans	-136.9	70.1	-175.9	-177.4	5.5	0	0	0	110.4	Y449 G467 L502 L506 S507 Y508	Y449-D504 HydrophobicContact CE1-CB 4.44Å; G467-D504 CarbonylContact O-C 3.52Å; G467-D504 VanDerWaalsContact O-C 3.3Å; G467-D504 PolarHBondContact O-N 2.85Å; G467-D504 VanDerWaalsContact O-N 3.08Å; L502-D504 HydrophobicContact CG-CB 4.47Å; L502-D504 PolarHBondContact O-N 3.13Å; L502-D504 VanDerWaalsContact O-N 3.1Å; D504-L506 PolarHBondContact O-N 2.98Å; D504-L506 PolarHBondContact OD1-N 3.5Å; D504-S507 VanDerWaalsContact CG-CB 3.49Å; D504-S507 VanDerWaalsContact CG-OG 3.27Å; D504-S507 PolarHBondContact O-N 3.22Å; D504-S507 PolarHBondContact OD1-N 2.94Å; D504-S507 PolarHBondContact OD1-OG 3.25Å; D504-S507 WeakPolarHBondContact OD2-CB 3.33Å; D504-S507 PolarHBondContact OD2-OG 3.31Å; D504-Y508 PolarHBondContact O-N 2.82Å
505	P	89.8	Confident	87.2	Confident	43 Å²	43	71.6 Å²	71.6	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-23.7	178.1	26.6	-34.9	0	0	0	112	H509	P505-H509 WeakPolarHBondContact O-CB 3.48Å; P505-H509 PolarHBondContact O-N 3.36Å; P505-H509 PolarHBondContact O-ND1 3.33Å
506	L	89.9	Confident	87.5	Confident	145 Å²	145	71.9 Å²	71.9	76%	0.759	35%	0.354	S	S	*	.	H	α-helix	trans	-69.8	-48.6	-179.4	-65.6	178.1	0	0	0	111.4	D504 Y508 H509 K510	D504-L506 PolarHBondContact O-N 2.98Å; D504-L506 PolarHBondContact OD1-N 3.5Å; L506-Y508 VanDerWaalsContact C-N 3.34Å; L506-H509 PolarHBondContact O-N 3.43Å; L506-K510 WeakPolarHBondContact O-CB 3.49Å; L506-K510 PolarHBondContact O-N 3.19Å
507	S	89.4	Confident	87.4	Confident	45 Å²	45	69 Å²	69	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-39.2	174.4	-61.8	0	0	0	0	111.8	Y449 D504 K510 M511	Y449-S507 WeakPolarHBondContact OH-CB 3.25Å; D504-S507 VanDerWaalsContact CG-CB 3.49Å; D504-S507 VanDerWaalsContact CG-OG 3.27Å; D504-S507 PolarHBondContact O-N 3.22Å; D504-S507 PolarHBondContact OD1-N 2.94Å; D504-S507 PolarHBondContact OD1-OG 3.25Å; D504-S507 WeakPolarHBondContact OD2-CB 3.33Å; D504-S507 PolarHBondContact OD2-OG 3.31Å; S507-K510 WeakPolarHBondContact O-CB 3.23Å; S507-K510 PolarHBondContact O-N 2.93Å; S507-M511 WeakPolarHBondContact O-CG 3.32Å; S507-M511 PolarHBondContact O-N 3.1Å
508	Y	91	Very high	87.3	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.027	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-49	175.2	170.6	-113.2	0	0	0	112.3	Y441 Y449 S451 E466 D504 L506 K510 M511 L512	Y441-Y508 HydrophobicContact CD1-CD2 4.42Å; Y441-Y508 HydrophobicContact CD1-CE2 4.17Å; Y449-Y508 HydrophobicContact CD1-CD2 4.48Å; Y449-Y508 HydrophobicContact CG-CD2 4.38Å; S451-Y508 VanDerWaalsContact CA-OH 3.26Å; S451-Y508 WeakPolarHBondContact CA-OH 3.45Å; S451-Y508 WeakPolarHBondContact CB-OH 3.18Å; S451-Y508 PolarHBondContact O-OH 2.96Å; E466-Y508 HydrophobicContact CG-CD1 4.49Å; E466-Y508 HydrophobicContact CG-CE1 3.61Å; E466-Y508 VanDerWaalsContact OE1-CE1 3.26Å; E466-Y508 WeakPolarHBondContact OE1-CE1 3.3Å; E466-Y508 PolarHBondContact OE1-OH 3.25Å; D504-Y508 PolarHBondContact O-N 2.82Å; L506-Y508 VanDerWaalsContact C-N 3.34Å; Y508-K510 VanDerWaalsContact C-N 3.29Å; Y508-K510 PolarHBondContact O-N 3.15Å; Y508-M511 PolarHBondContact O-N 3.33Å; Y508-M511 VanDerWaalsContact O-N 3.13Å; Y508-L512 HydrophobicContact CD1-CD1 4.13Å; Y508-L512 HydrophobicContact CD2-CG 4.41Å; Y508-L512 HydrophobicContact CE1-CD1 3.59Å; Y508-L512 HydrophobicContact CE1-CG 4.38Å; Y508-L512 HydrophobicContact CE2-CD1 4.09Å; Y508-L512 HydrophobicContact CE2-CD2 4.16Å; Y508-L512 HydrophobicContact CE2-CG 4.02Å; Y508-L512 PolarHBondContact O-N 2.78Å
509	H	89.6	Confident	87.4	Confident	100 Å²	100	66.7 Å²	66.7	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-28.8	176	-77.1	85.3	0	0	0	113.2	P505 L506 K513	P505-H509 WeakPolarHBondContact O-CB 3.48Å; P505-H509 PolarHBondContact O-N 3.36Å; P505-H509 PolarHBondContact O-ND1 3.33Å; L506-H509 PolarHBondContact O-N 3.43Å; H509-K513 WeakPolarHBondContact O-CG 3.32Å; H509-K513 PolarHBondContact O-N 2.93Å
510	K	87	Confident	87.4	Confident	167 Å²	167	68.9 Å²	68.9	73%	0.726	35%	0.35	S	S	*	.	H	α-helix	trans	-69	-39.3	171.9	-174.2	178.9	177.7	-177.5	0	111.3	L506 S507 Y508 K513 S514	L506-K510 WeakPolarHBondContact O-CB 3.49Å; L506-K510 PolarHBondContact O-N 3.19Å; S507-K510 WeakPolarHBondContact O-CB 3.23Å; S507-K510 PolarHBondContact O-N 2.93Å; Y508-K510 VanDerWaalsContact C-N 3.29Å; Y508-K510 PolarHBondContact O-N 3.15Å; K510-K513 PolarHBondContact O-N 3.4Å; K510-S514 PolarHBondContact O-N 3.05Å
511	M	85.7	Confident	87.5	Confident	13 Å²	13	68.2 Å²	68.2	6%	0.064	35%	0.347	C	S	.	.	H	α-helix	trans	-67.8	-44.8	175.5	-71.9	171.4	60.3	0	0	111.9	Y441 K446 Y449 S507 Y508 K513 S514 H518	Y441-M511 HydrophobicContact CE1-CB 4.2Å; K446-M511 HydrophobicContact CB-CE 3.88Å; K446-M511 HydrophobicContact CB-SD 3.79Å; Y449-M511 HydrophobicContact CD2-CE 3.95Å; Y449-M511 HydrophobicContact CD2-SD 3.91Å; Y449-M511 HydrophobicContact CE2-CE 3.94Å; Y449-M511 HydrophobicContact CE2-SD 3.41Å; Y449-M511 WeakPolarHBondContact CE2-SD 3.39Å; S507-M511 WeakPolarHBondContact O-CG 3.32Å; S507-M511 PolarHBondContact O-N 3.1Å; Y508-M511 PolarHBondContact O-N 3.33Å; Y508-M511 VanDerWaalsContact O-N 3.13Å; M511-K513 PolarHBondContact O-N 2.99Å; M511-K513 VanDerWaalsContact O-N 3.08Å; M511-S514 WeakPolarHBondContact O-CB 3.45Å; M511-S514 PolarHBondContact O-N 3.19Å; M511-H518 HydrophobicContact CE-CB 4.31Å; M511-H518 PolarHBondContact O-NE2 2.75Å; M511-H518 VanDerWaalsContact O-NE2 3.1Å
512	L	84.9	Confident	87.6	Confident	76 Å²	76	71.9 Å²	71.9	40%	0.398	36%	0.361	S	S	.	.	H	α-helix	trans	-56.2	-26.4	175	-74.9	176.4	0	0	0	114.2	Y441 Y508	Y441-L512 HydrophobicContact CD1-CD2 4.26Å; Y441-L512 HydrophobicContact CE1-CD2 3.87Å; Y441-L512 HydrophobicContact CE1-CG 4.39Å; Y441-L512 HydrophobicContact CE2-CD2 4.31Å; Y508-L512 HydrophobicContact CD1-CD1 4.13Å; Y508-L512 HydrophobicContact CD2-CG 4.41Å; Y508-L512 HydrophobicContact CE1-CD1 3.59Å; Y508-L512 HydrophobicContact CE1-CG 4.38Å; Y508-L512 HydrophobicContact CE2-CD1 4.09Å; Y508-L512 HydrophobicContact CE2-CD2 4.16Å; Y508-L512 HydrophobicContact CE2-CG 4.02Å; Y508-L512 PolarHBondContact O-N 2.78Å
513	K	83.5	Confident	87.8	Confident	181 Å²	181	70.4 Å²	70.4	79%	0.787	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.9	177.9	-69.9	177.5	-179.6	-177.9	0	113.7	H509 K510 M511	H509-K513 WeakPolarHBondContact O-CG 3.32Å; H509-K513 PolarHBondContact O-N 2.93Å; K510-K513 PolarHBondContact O-N 3.4Å; M511-K513 PolarHBondContact O-N 2.99Å; M511-K513 VanDerWaalsContact O-N 3.08Å
514	S	79.9	Confident	87.9	Confident	41 Å²	41	67.2 Å²	67.2	29%	0.287	34%	0.338	S	S	.	.			trans	-97.1	129.4	-178	-170	0	0	0	0	110.1	K510 M511 I516 H518	K510-S514 PolarHBondContact O-N 3.05Å; M511-S514 WeakPolarHBondContact O-CB 3.45Å; M511-S514 PolarHBondContact O-N 3.19Å; S514-I516 PolarHBondContact O-N 3.39Å; S514-I516 PolarHBondContact OG-N 3.24Å; S514-H518 WeakPolarHBondContact CB-NE2 3.11Å
515	E	74.3	Confident	88.1	Confident	199 Å²	199	65.4 Å²	65.4	93%	0.93	33%	0.328	S	S	*	.			trans	-79.5	-3.7	173.6	-58.8	-173.8	151.6	0	0	112.7
516	I	74.9	Confident	88.2	Confident	117 Å²	117	63.7 Å²	63.7	60%	0.6	32%	0.316	S	S	*	.	S	Bend	trans	-76.5	129.6	-177.7	-56.4	174.5	0	0	0	109.3	S514 H518	S514-I516 PolarHBondContact O-N 3.39Å; S514-I516 PolarHBondContact OG-N 3.24Å; I516-H518 PolarHBondContact O-CE1 2.93Å; I516-H518 PolarHBondContact O-N 2.82Å; I516-H518 PolarHBondContact O-ND1 3.17Å; I516-H518 PolarHBondContact O-NE2 3.47Å
517	P	78.1	Confident	88.3	Confident	59 Å²	59	57.3 Å²	57.3	38%	0.383	28%	0.282	S	S	.	.			trans	-51.7	127.8	172.4	-27.6	35.3	0	0	0	112.2	E519 H559	P517-E519 VanDerWaalsContact C-N 3.27Å; P517-H559 HydrophobicContact CB-CB 4.11Å; P517-H559 HydrophobicContact CG-CB 4.32Å
518	H	85.1	Confident	88.2	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.102	29%	0.291	C	S	.	.	S	Bend	trans	-82.6	-8.4	178.1	-57.8	-46.9	0	0	0	113	Y441 G443 T445 M511 S514 I516	Y441-H518 AromaticContact CE1-CD2 3.64Å; Y441-H518 AromaticContact CZ-CD2 3.74Å; G443-H518 CarbonylContact C-O 3.54Å; G443-H518 WeakPolarHBondContact CA-O 3.28Å; T445-H518 PolarHBondContact N-O 3.4Å; T445-H518 PolarHBondContact OG1-O 2.86Å; M511-H518 HydrophobicContact CE-CB 4.31Å; M511-H518 PolarHBondContact O-NE2 2.75Å; M511-H518 VanDerWaalsContact O-NE2 3.1Å; S514-H518 WeakPolarHBondContact CB-NE2 3.11Å; I516-H518 PolarHBondContact O-CE1 2.93Å; I516-H518 PolarHBondContact O-N 2.82Å; I516-H518 PolarHBondContact O-ND1 3.17Å; I516-H518 PolarHBondContact O-NE2 3.47Å
519	E	92	Very high	88	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.294	C	S	.	.			trans	-112.8	137.6	168.7	-62.4	-176.3	115.3	0	0	110	G443 N444 T482 K483 P517 V558 D560 T561	G443-E519 VanDerWaalsContact CA-CG 3.46Å; N444-E519 WeakPolarHBondContact OD1-CA 3.3Å; T482-E519 WeakPolarHBondContact CA-OE1 3.46Å; T482-E519 WeakPolarHBondContact CB-OE1 3.41Å; K483-E519 WeakPolarHBondContact CE-OE2 3.39Å; K483-E519 PolarHBondContact N-OE1 2.78Å; K483-E519 IonicContact NZ-OE2 3.92Å; P517-E519 VanDerWaalsContact C-N 3.27Å; E519-V558 CarbonylContact C-O 3.54Å; E519-D560 WeakPolarHBondContact OE2-CA 3.4Å; E519-T561 VanDerWaalsContact CD-OG1 3.31Å; E519-T561 PolarHBondContact OE1-OG1 2.7Å; E519-T561 PolarHBondContact OE2-N 3.46Å; E519-T561 PolarHBondContact OE2-OG1 3.26Å; E519-T561 VanDerWaalsContact OE2-OG1 3.1Å
520	S	93.4	Very high	87.1	Confident	47 Å²	47	61.2 Å²	61.2	33%	0.329	30%	0.303	S	S	.	.			trans	-158.1	109.3	-179.6	-176.3	0	0	0	0	108.9	N444 H557 V558	N444-S520 PolarHBondContact ND2-O 2.98Å; N444-S520 PolarHBondContact OD1-N 3.21Å; S520-H557 PolarHBondContact OG-NE2 2.96Å; S520-V558 WeakPolarHBondContact CA-O 3.42Å
521	F	95.3	Very high	86.3	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.039	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.2	168.3	62.3	-81.5	0	0	0	108.9	T482 V523 V558 T561 W570 R615	T482-F521 HydrophobicContact CG2-CD1 4.03Å; T482-F521 HydrophobicContact CG2-CE1 3.54Å; T482-F521 HydrophobicContact CG2-CZ 4.24Å; F521-V523 HydrophobicContact CD2-CG1 3.81Å; F521-V523 HydrophobicContact CE2-CG1 3.64Å; F521-V558 HydrophobicContact CD1-CB 4.2Å; F521-V558 HydrophobicContact CD2-CB 4.41Å; F521-V558 HydrophobicContact CD2-CG2 4.43Å; F521-V558 HydrophobicContact CE1-CB 3.75Å; F521-V558 HydrophobicContact CE1-CG1 3.72Å; F521-V558 HydrophobicContact CE2-CB 4Å; F521-V558 HydrophobicContact CE2-CG1 4.43Å; F521-V558 HydrophobicContact CE2-CG2 3.88Å; F521-V558 HydrophobicContact CZ-CB 3.65Å; F521-V558 HydrophobicContact CZ-CG1 3.64Å; F521-V558 HydrophobicContact CZ-CG2 3.92Å; F521-V558 PolarHBondContact O-N 2.93Å; F521-T561 HydrophobicContact CE1-CG2 3.56Å; F521-T561 HydrophobicContact CZ-CG2 3.72Å; F521-W570 HydrophobicContact CE2-CZ3 4.33Å; F521-W570 HydrophobicContact CZ-CZ3 4.4Å; F521-R615 HydrophobicContact CD2-CG 4.16Å
522	Y	97.4	Very high	85.5	Confident	76 Å²	76	54.5 Å²	54.5	30%	0.298	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.5	-179	-62.4	-102.9	0	0	0	111	I555 F556 H557 A575 R615 V616 W838	Y522-I555 HydrophobicContact CD1-CG2 4.38Å; Y522-F556 CarbonylContact C-O 3.54Å; Y522-F556 VanDerWaalsContact CA-O 3.26Å; Y522-F556 WeakPolarHBondContact CA-O 3.14Å; Y522-H557 HydrophobicContact CD1-CB 3.68Å; Y522-H557 HydrophobicContact CE1-CB 3.47Å; Y522-H557 VanDerWaalsContact CE1-CB 3.47Å; Y522-H557 AromaticContact CE1-CD2 3.99Å; Y522-H557 AromaticContact CE1-CG 3.67Å; Y522-H557 AromaticContact CE2-CD2 3.88Å; Y522-H557 HydrophobicContact CG-CB 4.49Å; Y522-H557 AromaticContact CZ-CD2 3.76Å; Y522-H557 AromaticContact CZ-CG 3.76Å; Y522-A575 HydrophobicContact CD1-CB 4Å; Y522-A575 HydrophobicContact CE1-CB 3.88Å; Y522-R615 WeakPolarHBondContact O-CA 3.26Å; Y522-V616 WeakPolarHBondContact CB-O 3.34Å; Y522-V616 PolarHBondContact O-N 2.9Å; Y522-W838 AromaticContact CD1-CH2 3.42Å; Y522-W838 HydrophobicContact CD1-CH2 3.42Å; Y522-W838 VanDerWaalsContact CD1-CH2 3.42Å; Y522-W838 HydrophobicContact CD1-CZ2 4.43Å; Y522-W838 AromaticContact CD1-CZ3 3.78Å; Y522-W838 HydrophobicContact CD1-CZ3 3.78Å; Y522-W838 HydrophobicContact CD2-CH2 4.27Å; Y522-W838 HydrophobicContact CD2-CZ3 4.12Å; Y522-W838 AromaticContact CE1-CH2 3.65Å; Y522-W838 HydrophobicContact CE1-CH2 3.65Å; Y522-W838 HydrophobicContact CE1-CZ3 4.37Å; Y522-W838 HydrophobicContact CE2-CH2 4.49Å; Y522-W838 AromaticContact CG-CH2 3.76Å; Y522-W838 HydrophobicContact CG-CH2 3.76Å; Y522-W838 AromaticContact CG-CZ3 3.63Å; Y522-W838 HydrophobicContact CG-CZ3 3.63Å
523	V	97.4	Very high	84.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.4	177.1	-66.7	0	0	0	0	112.3	F521 I555 F556 V558 W570 Y613 E614 R615	F521-V523 HydrophobicContact CD2-CG1 3.81Å; F521-V523 HydrophobicContact CE2-CG1 3.64Å; V523-I555 CarbonylContact O-C 3.59Å; V523-I555 VanDerWaalsContact O-CA 3.27Å; V523-I555 WeakPolarHBondContact O-CA 3.12Å; V523-F556 HydrophobicContact CG2-CB 4.04Å; V523-F556 PolarHBondContact N-O 2.75Å; V523-F556 PolarHBondContact O-N 2.86Å; V523-V558 HydrophobicContact CG2-CG2 3.93Å; V523-W570 HydrophobicContact CG1-CZ3 4.49Å; V523-Y613 HydrophobicContact CB-CD1 4.13Å; V523-Y613 HydrophobicContact CB-CG 4.31Å; V523-Y613 HydrophobicContact CG2-CD1 3.88Å; V523-Y613 HydrophobicContact CG2-CE1 4.31Å; V523-Y613 HydrophobicContact CG2-CG 4.3Å; V523-E614 CarbonylContact C-O 3.6Å; V523-E614 WeakPolarHBondContact CA-O 3.38Å; V523-R615 HydrophobicContact CG1-CG 4.16Å
524	R	96.9	Very high	83.3	Confident	25 Å²	25	48.7 Å²	48.7	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.7	169.2	176.5	-174.1	-70.8	139.3	-5.3	109.9	Y526 D554 I555 Y613 E614 V616 W838	R524-Y526 HydrophobicContact CB-CE2 4.43Å; R524-Y526 VanDerWaalsContact CD-OH 3.3Å; R524-Y526 WeakPolarHBondContact CD-OH 3.45Å; R524-Y526 HydrophobicContact CG-CE2 3.93Å; R524-D554 CarbonylContact C-O 3.49Å; R524-D554 WeakPolarHBondContact CA-O 3.49Å; R524-I555 HydrophobicContact CB-CG1 4.21Å; R524-I555 HydrophobicContact CG-CG1 4.46Å; R524-Y613 CarbonylContact O-C 3.49Å; R524-Y613 VanDerWaalsContact O-CA 3.27Å; R524-Y613 WeakPolarHBondContact O-CA 3.21Å; R524-E614 HydrophobicContact CB-CB 4.44Å; R524-E614 IonicContact CZ-OE2 3.2Å; R524-E614 PolarHBondContact N-O 2.82Å; R524-E614 IonicContact NE-OE2 2.65Å; R524-E614 IonicContact NH1-OE1 3.51Å; R524-E614 IonicContact NH1-OE2 2.57Å; R524-E614 PolarHBondContact NH1-OE2 3Å; R524-E614 PolarHBondContact O-N 3.3Å; R524-V616 HydrophobicContact CB-CG1 3.92Å; R524-V616 HydrophobicContact CB-CG2 4.4Å; R524-W838 PolarHBondContact NH2-O 3.49Å
525	A	95.4	Very high	81.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.1	177.6	0	0	0	0	0	112.4	F527 I550 G553 D554 F556 P612 Y613	A525-F527 HydrophobicContact CB-CE1 4.39Å; A525-I550 HydrophobicContact CB-CG2 3.48Å; A525-I550 VanDerWaalsContact CB-CG2 3.48Å; A525-G553 PolarHBondContact O-N 3.48Å; A525-D554 PolarHBondContact N-O 2.84Å; A525-F556 HydrophobicContact CB-CE2 4.18Å; A525-P612 WeakPolarHBondContact CA-O 3.09Å; A525-Y613 HydrophobicContact CB-CD1 4.11Å; A525-Y613 HydrophobicContact CB-CE1 3.91Å
526	Y	92.2	Very high	80.2	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.027	23%	0.234	C	C	.	.			trans	-108.5	11.9	177.2	-79.2	-86.9	0	0	0	114.7	R524 R552 P610 P611 P612 E614 L729	R524-Y526 HydrophobicContact CB-CE2 4.43Å; R524-Y526 VanDerWaalsContact CD-OH 3.3Å; R524-Y526 WeakPolarHBondContact CD-OH 3.45Å; R524-Y526 HydrophobicContact CG-CE2 3.93Å; Y526-R552 PolarHBondContact O-NH1 2.91Å; Y526-P610 HydrophobicContact CD1-CB 3.61Å; Y526-P610 HydrophobicContact CD1-CG 3.45Å; Y526-P610 VanDerWaalsContact CD1-CG 3.45Å; Y526-P610 HydrophobicContact CD2-CB 4.16Å; Y526-P610 HydrophobicContact CE1-CB 4.04Å; Y526-P610 HydrophobicContact CE1-CG 4.22Å; Y526-P610 HydrophobicContact CG-CB 3.67Å; Y526-P610 HydrophobicContact CG-CG 3.71Å; Y526-P611 WeakPolarHBondContact CB-O 3.28Å; Y526-P611 WeakPolarHBondContact CD2-O 3.38Å; Y526-P612 PolarHBondContact N-O 3.35Å; Y526-E614 HydrophobicContact CD2-CB 4.43Å; Y526-E614 HydrophobicContact CE2-CB 3.75Å; Y526-E614 PolarHBondContact OH-OE2 3.48Å; Y526-E614 VanDerWaalsContact OH-OE2 3.1Å; Y526-L729 HydrophobicContact CE1-CD1 4.01Å; Y526-L729 HydrophobicContact CE2-CD2 4.16Å; Y526-L729 WeakPolarHBondContact OH-CG 3.17Å
527	F	90.9	Very high	78.3	Confident	10 Å²	10	40.9 Å²	40.9	4%	0.044	24%	0.242	C	C	.	.	S	Bend	trans	-135.2	164.6	-178.4	65.4	-82.6	0	0	0	112.1	A525 M529 I550 V551 R552 P586 A591 F594 M595 P612 Y613	A525-F527 HydrophobicContact CB-CE1 4.39Å; F527-M529 HydrophobicContact CD2-CB 4.18Å; F527-M529 HydrophobicContact CE2-CB 3.92Å; F527-M529 HydrophobicContact CE2-CE 4.13Å; F527-I550 HydrophobicContact CD2-CG2 4.42Å; F527-I550 HydrophobicContact CE2-CB 4.39Å; F527-I550 HydrophobicContact CE2-CD1 3.82Å; F527-I550 HydrophobicContact CE2-CG2 4.07Å; F527-I550 HydrophobicContact CZ-CD1 3.74Å; F527-I550 HydrophobicContact CZ-CG2 4.18Å; F527-I550 WeakPolarHBondContact O-CG2 3.42Å; F527-V551 CarbonylContact O-C 3.56Å; F527-R552 PolarHBondContact O-N 2.96Å; F527-R552 VanDerWaalsContact O-N 3.15Å; F527-P586 HydrophobicContact CZ-CG 4.27Å; F527-A591 HydrophobicContact CE1-CB 3.78Å; F527-A591 HydrophobicContact CZ-CB 3.71Å; F527-F594 AromaticContact CD2-CD1 3.98Å; F527-F594 HydrophobicContact CD2-CD1 3.98Å; F527-F594 AromaticContact CD2-CE1 3.94Å; F527-F594 HydrophobicContact CD2-CE1 3.94Å; F527-F594 HydrophobicContact CE2-CD1 4.31Å; F527-F594 HydrophobicContact CE2-CE1 4.45Å; F527-M595 HydrophobicContact CB-CE 4.24Å; F527-M595 HydrophobicContact CB-CG 3.74Å; F527-M595 HydrophobicContact CB-SD 3.78Å; F527-M595 HydrophobicContact CD1-CG 4.32Å; F527-M595 HydrophobicContact CD1-SD 3.84Å; F527-M595 HydrophobicContact CG-CG 4.04Å; F527-M595 HydrophobicContact CG-SD 4.06Å; F527-P612 HydrophobicContact CD1-CB 4.01Å; F527-P612 WeakPolarHBondContact CD1-O 3.4Å; F527-P612 HydrophobicContact CE1-CB 3.95Å; F527-P612 WeakPolarHBondContact CE1-O 3.33Å; F527-Y613 HydrophobicContact CE1-CD1 4.35Å; F527-Y613 AromaticContact CE1-CE1 3.85Å; F527-Y613 HydrophobicContact CE1-CE1 3.85Å; F527-Y613 HydrophobicContact CE1-CE2 4.29Å; F527-Y613 AromaticContact CE1-CZ 3.82Å; F527-Y613 HydrophobicContact CZ-CE1 4.13Å; F527-Y613 HydrophobicContact CZ-CE2 4.41Å; F527-Y613 AromaticContact CZ-CZ 3.78Å
528	N	87.9	Confident	76.2	Confident	95 Å²	95	41.4 Å²	41.4	51%	0.508	25%	0.251	S	S	.	.			trans	-103.5	135	172.9	-63.4	-33.1	0	0	0	109.9	I550 R552 F594	N528-I550 CarbonylContact C-O 3.6Å; N528-I550 WeakPolarHBondContact CA-O 3.12Å; N528-R552 WeakPolarHBondContact OD1-CB 3.3Å; N528-R552 PolarHBondContact OD1-N 3.1Å; N528-F594 VanDerWaalsContact O-CE1 3.28Å; N528-F594 WeakPolarHBondContact O-CE1 3.48Å
529	M	86.1	Confident	74	Confident	17 Å²	17	44 Å²	44	8%	0.084	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-142.4	116	171.7	179.1	179.2	-76	0	0	109.3	F527 Q531 Y532 I550 P586 F594	F527-M529 HydrophobicContact CD2-CB 4.18Å; F527-M529 HydrophobicContact CE2-CB 3.92Å; F527-M529 HydrophobicContact CE2-CE 4.13Å; M529-Q531 PolarHBondContact O-N 3.42Å; M529-Y532 HydrophobicContact SD-CD2 3.89Å; M529-Y532 HydrophobicContact SD-CG 4.34Å; M529-I550 HydrophobicContact CB-CB 4.1Å; M529-I550 HydrophobicContact CB-CD1 4.46Å; M529-I550 HydrophobicContact CB-CG1 4.49Å; M529-I550 PolarHBondContact N-O 2.91Å; M529-I550 PolarHBondContact O-N 3.45Å; M529-P586 HydrophobicContact CE-CG 4.14Å; M529-P586 HydrophobicContact SD-CG 4.14Å; M529-F594 HydrophobicContact CB-CE1 4.1Å; M529-F594 HydrophobicContact CB-CZ 4.13Å; M529-F594 HydrophobicContact CE-CB 4.05Å; M529-F594 HydrophobicContact CE-CD1 3.52Å; M529-F594 HydrophobicContact CE-CD2 3.55Å; M529-F594 HydrophobicContact CE-CE1 3.72Å; M529-F594 HydrophobicContact CE-CE2 3.75Å; M529-F594 HydrophobicContact CE-CG 3.41Å; M529-F594 VanDerWaalsContact CE-CG 3.41Å; M529-F594 HydrophobicContact CE-CZ 3.82Å; M529-F594 HydrophobicContact CG-CE1 4.48Å; M529-F594 HydrophobicContact CG-CZ 4.16Å
530	N	71.5	Confident	71.5	Confident	123 Å²	123	45.7 Å²	45.7	66%	0.658	27%	0.274	S	S	*	.	S	Bend	trans	-61.9	-42.1	-172.1	-71.5	-12.4	0	0	0	112.7	F549	N530-F549 WeakPolarHBondContact O-CD1 3.34Å; N530-F549 WeakPolarHBondContact O-CE1 3.29Å; N530-F549 VanDerWaalsContact O-CG 3.29Å; N530-F549 WeakPolarHBondContact O-CG 3.42Å
531	Q	69.2	Low	69.3	Low	29 Å²	29	44 Å²	44	14%	0.136	26%	0.262	C	S	.	.			trans	-159.3	141.2	159.7	-161	154.2	-8.4	0	0	111.1	M529 V533 G547 F549 I1217	M529-Q531 PolarHBondContact O-N 3.42Å; Q531-V533 PolarHBondContact O-N 3.23Å; Q531-G547 VanDerWaalsContact CG-O 3.28Å; Q531-G547 WeakPolarHBondContact CG-O 3.36Å; Q531-G547 PolarHBondContact NE2-O 3.49Å; Q531-F549 HydrophobicContact CG-CD2 4.45Å; Q531-F549 HydrophobicContact CG-CE2 4.24Å; Q531-F549 VanDerWaalsContact OE1-CZ 3.29Å; Q531-I1217 HydrophobicContact CB-CD1 3.91Å; Q531-I1217 HydrophobicContact CG-CD1 4.36Å; Q531-I1217 HydrophobicContact CG-CG2 4.24Å; Q531-I1217 VanDerWaalsContact OE1-CG2 3.29Å
532	Y	69.8	Low	67	Low	9 Å²	9	44.3 Å²	44.3	4%	0.035	27%	0.265	C	S	.	.			trans	-81.2	103.9	176	179.1	-113.3	0	0	0	112.4	M529 G547 L548 G568 T569 L584 P586 R590	M529-Y532 HydrophobicContact SD-CD2 3.89Å; M529-Y532 HydrophobicContact SD-CG 4.34Å; Y532-G547 WeakPolarHBondContact O-CA 2.85Å; Y532-L548 PolarHBondContact N-O 3.19Å; Y532-G568 PolarHBondContact OH-O 3.4Å; Y532-G568 VanDerWaalsContact OH-O 3.08Å; Y532-T569 HydrophobicContact CE1-CG2 3.76Å; Y532-T569 PolarHBondContact OH-OG1 2.79Å; Y532-L584 HydrophobicContact CD1-CB 3.89Å; Y532-L584 HydrophobicContact CE1-CB 4.21Å; Y532-P586 HydrophobicContact CD2-CB 3.85Å; Y532-P586 HydrophobicContact CD2-CG 4.05Å; Y532-P586 HydrophobicContact CE2-CB 3.62Å; Y532-P586 HydrophobicContact CE2-CG 4.33Å; Y532-R590 VanDerWaalsContact OH-CD 3.27Å; Y532-R590 WeakPolarHBondContact OH-CD 3.23Å; Y532-R590 VanDerWaalsContact OH-CZ 3.31Å; Y532-R590 PolarHBondContact OH-NE 2.81Å; Y532-R590 PolarHBondContact OH-NH1 3.37Å
533	V	64.4	Low	64.8	Low	106 Å²	106	44.7 Å²	44.7	64%	0.642	28%	0.276	S	S	*	.			trans	-88.5	109.4	169.8	-175.7	0	0	0	0	109.2	Q531 G535	Q531-V533 PolarHBondContact O-N 3.23Å; V533-G535 PolarHBondContact O-N 3.25Å
534	S	57.1	Low	63.3	Low	29 Å²	29	50.8 Å²	50.8	20%	0.203	30%	0.302	C	S	.	.			trans	-62.5	130	171.9	-171.8	0	0	0	0	109.6	S536 T569	S534-S536 PolarHBondContact O-N 3.38Å; S534-T569 PolarHBondContact OG-OG1 2.95Å
535	G	47	Very low	62.1	Low	40 Å²	40	52.4 Å²	52.4	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	-68.3	7.6	-158.1	0	0	0	0	0	118.5	V533	V533-G535 PolarHBondContact O-N 3.25Å
536	S	42.6	Very low	61.2	Low	45 Å²	45	53.3 Å²	53.3	32%	0.315	32%	0.315	S	S	.	.			trans	-150.3	99.9	-179.8	-71.8	0	0	0	0	112.7	A219 S534	A219-S536 WeakPolarHBondContact O-CB 3.43Å; A219-S536 PolarHBondContact O-OG 2.86Å; S534-S536 PolarHBondContact O-N 3.38Å
537	S	34.2	Very low	60.7	Low	109 Å²	109	53.4 Å²	53.4	76%	0.762	32%	0.318	S	S	*	.			trans	-92.6	111.4	168.5	-178.8	0	0	0	0	110.3
538	A	35.2	Very low	60.6	Low	70 Å²	70	53.6 Å²	53.6	58%	0.579	32%	0.319	S	S	*	.	S	Bend	trans	178.7	-25.7	156.4	0	0	0	0	0	115.7
539	L	38.6	Very low	60.6	Low	77 Å²	77	52.8 Å²	52.8	40%	0.403	31%	0.311	S	S	.	.	S	Bend	trans	-141.7	38.9	-158	-69.5	171.7	0	0	0	115.7
540	M	39.1	Very low	60.8	Low	35 Å²	35	52.1 Å²	52.1	17%	0.172	31%	0.308	C	S	.	.			trans	-150.4	159.6	-179.4	-89.8	-147.8	163.4	0	0	117.2	H220 S542 V543 D564	H220-M540 VanDerWaalsContact CE1-CG 3.45Å; H220-M540 WeakPolarHBondContact CE1-CG 3.33Å; H220-M540 PolarHBondContact CE1-SD 3.38Å; H220-M540 WeakPolarHBondContact NE2-CE 3.48Å; H220-M540 PolarHBondContact NE2-SD 3.49Å; M540-S542 VanDerWaalsContact C-N 3.27Å; M540-S542 PolarHBondContact O-N 3.09Å; M540-V543 WeakPolarHBondContact O-CB 3.46Å; M540-V543 WeakPolarHBondContact O-CG2 3.38Å; M540-V543 PolarHBondContact O-N 3.43Å; M540-D564 HydrophobicContact CE-CB 3.39Å; M540-D564 HydrophobicContact SD-CB 3.17Å; M540-D564 WeakPolarHBondContact SD-CB 3.29Å
541	S	46.6	Very low	61.7	Low	11 Å²	11	49.3 Å²	49.3	8%	0.077	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-63.7	-33	177	96.1	0	0	0	0	112.3	S144 V543 K544 D564	S144-S541 WeakPolarHBondContact OG-CA 3.44Å; S144-S541 WeakPolarHBondContact OG-CB 3.44Å; S541-V543 PolarHBondContact O-N 3.03Å; S541-V543 VanDerWaalsContact O-N 3.09Å; S541-K544 WeakPolarHBondContact O-CG 3.4Å; S541-K544 PolarHBondContact O-N 3.27Å; S541-D564 PolarHBondContact OG-OD1 2.93Å
542	S	48.1	Very low	62.7	Low	17 Å²	17	51.2 Å²	51.2	12%	0.119	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-63.2	-7.3	176.2	42.5	0	0	0	0	115.5	M540 K544 Y545 D564	M540-S542 VanDerWaalsContact C-N 3.27Å; M540-S542 PolarHBondContact O-N 3.09Å; S542-K544 PolarHBondContact O-N 2.99Å; S542-Y545 PolarHBondContact O-N 3.35Å; S542-D564 WeakPolarHBondContact CB-OD2 3.39Å; S542-D564 PolarHBondContact N-OD2 3.01Å; S542-D564 PolarHBondContact OG-OD2 3.21Å
543	V	50.1	Low	63.7	Low	84 Å²	84	51.6 Å²	51.6	51%	0.509	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-56.3	-16.1	166.4	172	0	0	0	0	112.3	M540 S541 Y545	M540-V543 WeakPolarHBondContact O-CB 3.46Å; M540-V543 WeakPolarHBondContact O-CG2 3.38Å; M540-V543 PolarHBondContact O-N 3.43Å; S541-V543 PolarHBondContact O-N 3.03Å; S541-V543 VanDerWaalsContact O-N 3.09Å; V543-Y545 VanDerWaalsContact C-N 3.34Å
544	K	65.7	Low	65.2	Low	129 Å²	129	46.9 Å²	46.9	56%	0.561	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-68.2	-23.9	172.4	-68.5	173.8	-179.4	-179.1	0	114.9	S541 S542	S541-K544 WeakPolarHBondContact O-CG 3.4Å; S541-K544 PolarHBondContact O-N 3.27Å; S542-K544 PolarHBondContact O-N 2.99Å
545	Y	73.4	Confident	67.1	Low	58 Å²	58	45.6 Å²	45.6	23%	0.227	27%	0.27	C	S	.	.	S	Bend	trans	-110.7	144.8	-170.1	-56.9	-69.5	0	0	0	112.1	S542 V543 L571 I582 T1219	S542-Y545 PolarHBondContact O-N 3.35Å; V543-Y545 VanDerWaalsContact C-N 3.34Å; Y545-L571 HydrophobicContact CD1-CD1 4.14Å; Y545-L571 HydrophobicContact CD2-CD1 3.74Å; Y545-L571 HydrophobicContact CE1-CD1 4.33Å; Y545-L571 HydrophobicContact CE2-CD1 3.96Å; Y545-L571 HydrophobicContact CG-CD1 3.85Å; Y545-I582 HydrophobicContact CD1-CB 4.34Å; Y545-I582 HydrophobicContact CD1-CG2 3.81Å; Y545-I582 HydrophobicContact CE1-CB 4.24Å; Y545-I582 HydrophobicContact CE1-CG2 3.72Å; Y545-T1219 PolarHBondContact O-OG1 2.78Å
546	S	75.8	Confident	69.5	Low	19 Å²	19	43.7 Å²	43.7	13%	0.133	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-91.2	153.4	173.7	45	0	0	0	0	112	L548 G583 L584 T1219	S546-L548 PolarHBondContact O-N 2.89Å; S546-G583 CarbonylContact O-C 3.55Å; S546-G583 WeakPolarHBondContact O-CA 3.43Å; S546-L584 PolarHBondContact O-N 2.65Å; S546-T1219 WeakPolarHBondContact CA-OG1 3.3Å; S546-T1219 WeakPolarHBondContact CB-O 3.46Å; S546-T1219 VanDerWaalsContact CB-OG1 3.23Å; S546-T1219 WeakPolarHBondContact CB-OG1 3.49Å; S546-T1219 PolarHBondContact N-O 2.61Å; S546-T1219 PolarHBondContact N-OG1 3.17Å; S546-T1219 VanDerWaalsContact N-OG1 3.07Å; S546-T1219 PolarHBondContact OG-O 3.28Å
547	G	82.1	Confident	72.1	Confident	9 Å²	9	43 Å²	43	9%	0.093	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-57.2	132.5	161.1	0	0	0	0	0	110.9	Q531 Y532 L584	Q531-G547 VanDerWaalsContact CG-O 3.28Å; Q531-G547 WeakPolarHBondContact CG-O 3.36Å; Q531-G547 PolarHBondContact NE2-O 3.49Å; Y532-G547 WeakPolarHBondContact O-CA 2.85Å; G547-L584 CarbonylContact C-O 3.42Å; G547-L584 WeakPolarHBondContact CA-O 3.46Å
548	L	88	Confident	75	Confident	15 Å²	15	37.8 Å²	37.8	8%	0.079	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-78.3	155.6	169.7	-61.1	-177.5	0	0	0	110.5	Y532 S546 F556 L584 I585	Y532-L548 PolarHBondContact N-O 3.19Å; S546-L548 PolarHBondContact O-N 2.89Å; L548-F556 HydrophobicContact CB-CE1 4.12Å; L548-F556 HydrophobicContact CD1-CD1 3.86Å; L548-F556 HydrophobicContact CD1-CE1 3.79Å; L548-L584 PolarHBondContact N-O 3.17Å; L548-I585 HydrophobicContact CB-CG2 3.93Å; L548-I585 HydrophobicContact CD1-CG2 4.14Å; L548-I585 HydrophobicContact CG-CG2 4.36Å
549	F	88.2	Confident	77.8	Confident	77 Å²	77	35.8 Å²	35.8	34%	0.338	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-81.6	134.2	167.8	-70.2	-115.4	0	0	0	107.3	N530 Q531	N530-F549 WeakPolarHBondContact O-CD1 3.34Å; N530-F549 WeakPolarHBondContact O-CE1 3.29Å; N530-F549 VanDerWaalsContact O-CG 3.29Å; N530-F549 WeakPolarHBondContact O-CG 3.42Å; Q531-F549 HydrophobicContact CG-CD2 4.45Å; Q531-F549 HydrophobicContact CG-CE2 4.24Å; Q531-F549 VanDerWaalsContact OE1-CZ 3.29Å
550	I	91.3	Very high	80.2	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-115.6	120.4	176.9	-53.6	179.4	0	0	0	108	A525 F527 N528 M529 F556 I585 P586 Y613	A525-I550 HydrophobicContact CB-CG2 3.48Å; A525-I550 VanDerWaalsContact CB-CG2 3.48Å; F527-I550 HydrophobicContact CD2-CG2 4.42Å; F527-I550 HydrophobicContact CE2-CB 4.39Å; F527-I550 HydrophobicContact CE2-CD1 3.82Å; F527-I550 HydrophobicContact CE2-CG2 4.07Å; F527-I550 HydrophobicContact CZ-CD1 3.74Å; F527-I550 HydrophobicContact CZ-CG2 4.18Å; F527-I550 WeakPolarHBondContact O-CG2 3.42Å; N528-I550 CarbonylContact C-O 3.6Å; N528-I550 WeakPolarHBondContact CA-O 3.12Å; M529-I550 HydrophobicContact CB-CB 4.1Å; M529-I550 HydrophobicContact CB-CD1 4.46Å; M529-I550 HydrophobicContact CB-CG1 4.49Å; M529-I550 PolarHBondContact N-O 2.91Å; M529-I550 PolarHBondContact O-N 3.45Å; I550-F556 HydrophobicContact CB-CZ 4.31Å; I550-F556 HydrophobicContact CG1-CE2 4.24Å; I550-F556 HydrophobicContact CG1-CZ 3.86Å; I550-F556 HydrophobicContact CG2-CE2 4.03Å; I550-F556 HydrophobicContact CG2-CZ 4.3Å; I550-I585 HydrophobicContact CD1-CB 4.26Å; I550-I585 HydrophobicContact CD1-CG2 4.13Å; I550-I585 HydrophobicContact CG1-CG2 4.4Å; I550-P586 HydrophobicContact CD1-CG 4.25Å; I550-Y613 WeakPolarHBondContact CD1-OH 3.35Å
551	V	89.5	Confident	82.7	Confident	65 Å²	65	31.7 Å²	31.7	39%	0.394	16%	0.164	S	C	.	.			trans	-108.5	143.7	165.5	-173.7	0	0	0	0	107.5	F527 G553 D554	F527-V551 CarbonylContact O-C 3.56Å; V551-G553 PolarHBondContact O-N 3.45Å; V551-D554 PolarHBondContact N-OD2 2.87Å; V551-D554 WeakPolarHBondContact O-CB 3.31Å; V551-D554 PolarHBondContact O-N 2.76Å
552	R	90.7	Very high	84.6	Confident	68 Å²	68	31.3 Å²	31.3	26%	0.257	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	137.2	171.9	-172.1	171.1	-176.9	131.5	-14.7	109.1	Y526 F527 N528 D554 E725 H798	Y526-R552 PolarHBondContact O-NH1 2.91Å; F527-R552 PolarHBondContact O-N 2.96Å; F527-R552 VanDerWaalsContact O-N 3.15Å; N528-R552 WeakPolarHBondContact OD1-CB 3.3Å; N528-R552 PolarHBondContact OD1-N 3.1Å; R552-D554 VanDerWaalsContact C-N 3.29Å; R552-D554 PolarHBondContact O-N 3.12Å; R552-E725 IonicContact CZ-OE1 2.98Å; R552-E725 IonicContact CZ-OE2 3.3Å; R552-E725 IonicContact NE-OE1 2.7Å; R552-E725 PolarHBondContact NE-OE1 3.12Å; R552-E725 IonicContact NE-OE2 2.92Å; R552-E725 VanDerWaalsContact NH2-CD 3.33Å; R552-E725 IonicContact NH2-OE1 3.28Å; R552-E725 PolarHBondContact NH2-OE1 3.09Å; R552-E725 IonicContact NH2-OE2 2.69Å; R552-E725 PolarHBondContact NH2-OE2 2.93Å; R552-H798 WeakPolarHBondContact CD-NE2 3.38Å; R552-H798 WeakPolarHBondContact O-CB 3.28Å
553	G	91.1	Very high	86.2	Confident	18 Å²	18	31 Å²	31	19%	0.186	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-13.2	-174.6	0	0	0	0	0	115.8	A525 V551	A525-G553 PolarHBondContact O-N 3.48Å; V551-G553 PolarHBondContact O-N 3.45Å
554	D	94.5	Very high	87.1	Confident	7 Å²	7	29.1 Å²	29.1	4%	0.037	15%	0.145	C	C	.	.			trans	-59.9	144.2	172.4	-74.3	-18.5	0	0	0	111.1	R524 A525 V551 R552 F556 K574 P577	R524-D554 CarbonylContact C-O 3.49Å; R524-D554 WeakPolarHBondContact CA-O 3.49Å; A525-D554 PolarHBondContact N-O 2.84Å; V551-D554 PolarHBondContact N-OD2 2.87Å; V551-D554 WeakPolarHBondContact O-CB 3.31Å; V551-D554 PolarHBondContact O-N 2.76Å; R552-D554 VanDerWaalsContact C-N 3.29Å; R552-D554 PolarHBondContact O-N 3.12Å; D554-F556 HydrophobicContact CB-CD2 4.41Å; D554-F556 HydrophobicContact CB-CE2 3.55Å; D554-F556 HydrophobicContact CB-CZ 3.91Å; D554-K574 WeakPolarHBondContact OD1-CE 3.47Å; D554-K574 IonicContact OD1-NZ 2.8Å; D554-K574 PolarHBondContact OD1-NZ 2.86Å; D554-K574 WeakPolarHBondContact OD2-CE 3.4Å; D554-K574 IonicContact OD2-NZ 3.49Å; D554-K574 PolarHBondContact OD2-NZ 3.17Å; D554-P577 WeakPolarHBondContact OD1-CD 3.48Å
555	I	96.9	Very high	87.3	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.8	175.3	-51.9	178.2	0	0	0	108.8	Y522 V523 R524 A575 Y576 V616 W838	Y522-I555 HydrophobicContact CD1-CG2 4.38Å; V523-I555 CarbonylContact O-C 3.59Å; V523-I555 VanDerWaalsContact O-CA 3.27Å; V523-I555 WeakPolarHBondContact O-CA 3.12Å; R524-I555 HydrophobicContact CB-CG1 4.21Å; R524-I555 HydrophobicContact CG-CG1 4.46Å; I555-A575 PolarHBondContact O-N 2.97Å; I555-Y576 HydrophobicContact CD1-CD1 4.17Å; I555-Y576 HydrophobicContact CD1-CG 4.32Å; I555-Y576 HydrophobicContact CG1-CD1 4.3Å; I555-Y576 PolarHBondContact N-O 3.21Å; I555-Y576 VanDerWaalsContact N-O 3.08Å; I555-Y576 PolarHBondContact O-N 3.4Å; I555-V616 HydrophobicContact CD1-CG2 4.44Å; I555-V616 HydrophobicContact CG2-CG2 3.75Å; I555-W838 HydrophobicContact CD1-CB 3.53Å; I555-W838 VanDerWaalsContact CD1-CD1 3.41Å; I555-W838 HydrophobicContact CD1-CD2 3.5Å; I555-W838 VanDerWaalsContact CD1-CD2 3.5Å; I555-W838 HydrophobicContact CD1-CE3 4.16Å; I555-W838 HydrophobicContact CD1-CG 3.18Å; I555-W838 HydrophobicContact CG2-CD2 4.47Å; I555-W838 HydrophobicContact CG2-CE3 4.32Å; I555-W838 HydrophobicContact CG2-CZ3 4.36Å
556	F	97.6	Very high	87.1	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.2	179.6	-62.2	-90.8	0	0	0	110.3	Y522 V523 A525 L548 I550 D554 A572 T573 K574 I585	Y522-F556 CarbonylContact C-O 3.54Å; Y522-F556 VanDerWaalsContact CA-O 3.26Å; Y522-F556 WeakPolarHBondContact CA-O 3.14Å; V523-F556 HydrophobicContact CG2-CB 4.04Å; V523-F556 PolarHBondContact N-O 2.75Å; V523-F556 PolarHBondContact O-N 2.86Å; A525-F556 HydrophobicContact CB-CE2 4.18Å; L548-F556 HydrophobicContact CB-CE1 4.12Å; L548-F556 HydrophobicContact CD1-CD1 3.86Å; L548-F556 HydrophobicContact CD1-CE1 3.79Å; I550-F556 HydrophobicContact CB-CZ 4.31Å; I550-F556 HydrophobicContact CG1-CE2 4.24Å; I550-F556 HydrophobicContact CG1-CZ 3.86Å; I550-F556 HydrophobicContact CG2-CE2 4.03Å; I550-F556 HydrophobicContact CG2-CZ 4.3Å; D554-F556 HydrophobicContact CB-CD2 4.41Å; D554-F556 HydrophobicContact CB-CE2 3.55Å; D554-F556 HydrophobicContact CB-CZ 3.91Å; F556-A572 HydrophobicContact CB-CB 4.2Å; F556-A572 HydrophobicContact CD1-CB 4.47Å; F556-T573 CarbonylContact C-O 3.48Å; F556-T573 VanDerWaalsContact CA-O 3.23Å; F556-T573 WeakPolarHBondContact CA-O 3.37Å; F556-K574 HydrophobicContact CD1-CB 4.08Å; F556-K574 HydrophobicContact CD1-CG 4.48Å; F556-K574 HydrophobicContact CE1-CB 3.92Å; F556-K574 HydrophobicContact CE1-CG 4.15Å; F556-K574 HydrophobicContact CZ-CG 4.5Å; F556-I585 HydrophobicContact CB-CD1 4.08Å; F556-I585 HydrophobicContact CD1-CG2 4.06Å; F556-I585 HydrophobicContact CE1-CG2 4.06Å; F556-I585 HydrophobicContact CG-CD1 4.18Å
557	H	97.2	Very high	87	Confident	30 Å²	30	27.2 Å²	27.2	14%	0.139	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.1	166.7	-178.2	-154.2	0	0	0	108.2	S520 Y522 H559 A572 T573 A575	S520-H557 PolarHBondContact OG-NE2 2.96Å; Y522-H557 HydrophobicContact CD1-CB 3.68Å; Y522-H557 HydrophobicContact CE1-CB 3.47Å; Y522-H557 VanDerWaalsContact CE1-CB 3.47Å; Y522-H557 AromaticContact CE1-CD2 3.99Å; Y522-H557 AromaticContact CE1-CG 3.67Å; Y522-H557 AromaticContact CE2-CD2 3.88Å; Y522-H557 HydrophobicContact CG-CB 4.49Å; Y522-H557 AromaticContact CZ-CD2 3.76Å; Y522-H557 AromaticContact CZ-CG 3.76Å; H557-H559 AromaticContact CE1-CE1 3.37Å; H557-H559 PolarHBondContact CE1-CE1 2.89Å; H557-H559 AromaticContact CE1-ND1 3.85Å; H557-H559 AromaticContact CG-CE1 3.85Å; H557-H559 AromaticContact CG-NE2 3.93Å; H557-H559 AromaticContact ND1-CE1 3.11Å; H557-H559 PolarHBondContact ND1-CE1 2.76Å; H557-H559 AromaticContact ND1-ND1 3.98Å; H557-H559 AromaticContact ND1-NE2 3.55Å; H557-H559 PolarHBondContact O-CD2 2.93Å; H557-H559 PolarHBondContact O-NE2 3.26Å; H557-A572 CarbonylContact O-C 3.57Å; H557-A572 WeakPolarHBondContact O-CA 3.47Å; H557-A572 WeakPolarHBondContact O-CB 3.47Å; H557-T573 PolarHBondContact N-O 3.06Å; H557-T573 PolarHBondContact O-N 2.99Å; H557-A575 HydrophobicContact CB-CB 4.48Å
558	V	95.9	Very high	86.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.5	-176.7	-177.2	0	0	0	0	110	E519 S520 F521 V523 T561 W570 I585	E519-V558 CarbonylContact C-O 3.54Å; S520-V558 WeakPolarHBondContact CA-O 3.42Å; F521-V558 HydrophobicContact CD1-CB 4.2Å; F521-V558 HydrophobicContact CD2-CB 4.41Å; F521-V558 HydrophobicContact CD2-CG2 4.43Å; F521-V558 HydrophobicContact CE1-CB 3.75Å; F521-V558 HydrophobicContact CE1-CG1 3.72Å; F521-V558 HydrophobicContact CE2-CB 4Å; F521-V558 HydrophobicContact CE2-CG1 4.43Å; F521-V558 HydrophobicContact CE2-CG2 3.88Å; F521-V558 HydrophobicContact CZ-CB 3.65Å; F521-V558 HydrophobicContact CZ-CG1 3.64Å; F521-V558 HydrophobicContact CZ-CG2 3.92Å; F521-V558 PolarHBondContact O-N 2.93Å; V523-V558 HydrophobicContact CG2-CG2 3.93Å; V558-T561 HydrophobicContact CG1-CG2 3.98Å; V558-W570 HydrophobicContact CG1-CB 4.07Å; V558-W570 HydrophobicContact CG1-CD2 4.32Å; V558-W570 HydrophobicContact CG1-CE3 4.29Å; V558-W570 HydrophobicContact CG1-CG 4.28Å; V558-W570 HydrophobicContact CG2-CE3 3.96Å; V558-W570 HydrophobicContact CG2-CZ3 4.46Å; V558-I585 HydrophobicContact CG2-CD1 4.44Å
559	H	92.8	Very high	86.4	Confident	28 Å²	28	27.2 Å²	27.2	13%	0.13	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-24.9	-175.1	-58.4	-82.8	0	0	0	113.5	P517 H557 L571 T573	P517-H559 HydrophobicContact CB-CB 4.11Å; P517-H559 HydrophobicContact CG-CB 4.32Å; H557-H559 AromaticContact CE1-CE1 3.37Å; H557-H559 PolarHBondContact CE1-CE1 2.89Å; H557-H559 AromaticContact CE1-ND1 3.85Å; H557-H559 AromaticContact CG-CE1 3.85Å; H557-H559 AromaticContact CG-NE2 3.93Å; H557-H559 AromaticContact ND1-CE1 3.11Å; H557-H559 PolarHBondContact ND1-CE1 2.76Å; H557-H559 AromaticContact ND1-ND1 3.98Å; H557-H559 AromaticContact ND1-NE2 3.55Å; H557-H559 PolarHBondContact O-CD2 2.93Å; H557-H559 PolarHBondContact O-NE2 3.26Å; H559-L571 PolarHBondContact N-O 2.88Å; H559-T573 WeakPolarHBondContact NE2-CG2 3.29Å; H559-T573 PolarHBondContact NE2-OG1 3.32Å
560	D	90.8	Very high	86.6	Confident	26 Å²	26	24 Å²	24	14%	0.139	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	127	174.1	-160.7	-38.6	0	0	0	110.5	K483 E519 L562 L563 W570 L571	K483-D560 WeakPolarHBondContact CE-OD1 3.37Å; K483-D560 IonicContact NZ-OD1 3.9Å; K483-D560 PolarHBondContact NZ-OD1 3.45Å; K483-D560 IonicContact NZ-OD2 2.72Å; K483-D560 PolarHBondContact NZ-OD2 2.94Å; E519-D560 WeakPolarHBondContact OE2-CA 3.4Å; D560-L562 WeakPolarHBondContact OD1-CA 3.42Å; D560-L562 PolarHBondContact OD1-N 2.81Å; D560-L563 HydrophobicContact CB-CD1 4.48Å; D560-L563 PolarHBondContact OD1-N 2.83Å; D560-W570 CarbonylContact O-C 3.57Å; D560-W570 VanDerWaalsContact O-CA 3.27Å; D560-W570 WeakPolarHBondContact O-CA 3.27Å; D560-L571 HydrophobicContact CB-CB 3.76Å; D560-L571 HydrophobicContact CB-CD2 4.33Å; D560-L571 PolarHBondContact N-O 2.78Å; D560-L571 PolarHBondContact O-N 3.27Å
561	T	91.7	Very high	86.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-95.6	-15	177.7	62.9	0	0	0	0	114.2	T482 K483 E484 E519 F521 V558 W570	T482-T561 HydrophobicContact CG2-CG2 3.87Å; K483-T561 PolarHBondContact N-OG1 2.92Å; E484-T561 PolarHBondContact N-OG1 2.86Å; E519-T561 VanDerWaalsContact CD-OG1 3.31Å; E519-T561 PolarHBondContact OE1-OG1 2.7Å; E519-T561 PolarHBondContact OE2-N 3.46Å; E519-T561 PolarHBondContact OE2-OG1 3.26Å; E519-T561 VanDerWaalsContact OE2-OG1 3.1Å; F521-T561 HydrophobicContact CE1-CG2 3.56Å; F521-T561 HydrophobicContact CZ-CG2 3.72Å; V558-T561 HydrophobicContact CG1-CG2 3.98Å; T561-W570 VanDerWaalsContact CA-CD1 3.42Å; T561-W570 PolarHBondContact O-NE1 2.87Å
562	L	85.7	Confident	86.9	Confident	3 Å²	3	21.4 Å²	21.4	2%	0.016	12%	0.116	C	C	.	.	S	Bend	trans	-134.2	55.4	-176.3	-162.7	76.1	0	0	0	109.3	K483 F487 D560 D564 N565 L567	K483-L562 HydrophobicContact CB-CB 3.79Å; K483-L562 HydrophobicContact CB-CD2 4.31Å; F487-L562 HydrophobicContact CB-CD2 4.35Å; F487-L562 HydrophobicContact CD2-CD2 4.22Å; F487-L562 HydrophobicContact CG-CD1 4.41Å; F487-L562 HydrophobicContact CG-CD2 4.41Å; D560-L562 WeakPolarHBondContact OD1-CA 3.42Å; D560-L562 PolarHBondContact OD1-N 2.81Å; L562-D564 PolarHBondContact O-N 3.29Å; L562-N565 WeakPolarHBondContact O-CA 3.36Å; L562-N565 PolarHBondContact O-N 2.9Å; L562-L567 HydrophobicContact CD1-CD2 3.6Å; L562-L567 HydrophobicContact CD1-CG 3.93Å
563	L	81.2	Confident	87	Confident	11 Å²	11	19.3 Å²	19.3	6%	0.058	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-58	133.2	-174.5	-175.8	64.7	0	0	0	110.9	D560 N565 A566 T569 L571 L584	D560-L563 HydrophobicContact CB-CD1 4.48Å; D560-L563 PolarHBondContact OD1-N 2.83Å; L563-N565 PolarHBondContact O-N 2.87Å; L563-A566 PolarHBondContact O-N 2.85Å; L563-T569 HydrophobicContact CD2-CG2 4.47Å; L563-L571 HydrophobicContact CD1-CB 4.3Å; L563-L571 HydrophobicContact CD1-CD2 4.2Å; L563-L571 HydrophobicContact CD2-CB 4.35Å; L563-L571 HydrophobicContact CD2-CD1 4.18Å; L563-L584 HydrophobicContact CD2-CD2 3.43Å; L563-L584 VanDerWaalsContact CD2-CD2 3.43Å
564	D	69.5	Low	87.2	Confident	43 Å²	43	20.3 Å²	20.3	23%	0.23	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	50.2	27	-173.4	-62.1	-56.4	0	0	0	113.8	M540 S541 S542 L562 A566	M540-D564 HydrophobicContact CE-CB 3.39Å; M540-D564 HydrophobicContact SD-CB 3.17Å; M540-D564 WeakPolarHBondContact SD-CB 3.29Å; S541-D564 PolarHBondContact OG-OD1 2.93Å; S542-D564 WeakPolarHBondContact CB-OD2 3.39Å; S542-D564 PolarHBondContact N-OD2 3.01Å; S542-D564 PolarHBondContact OG-OD2 3.21Å; L562-D564 PolarHBondContact O-N 3.29Å; D564-A566 VanDerWaalsContact C-N 3.32Å; D564-A566 PolarHBondContact O-N 3.22Å
565	N	70.6	Confident	87.2	Confident	87 Å²	87	21.2 Å²	21.2	47%	0.465	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	63.6	24	-173.2	-57.5	-60.2	0	0	0	115.6	L562 L563	L562-N565 WeakPolarHBondContact O-CA 3.36Å; L562-N565 PolarHBondContact O-N 2.9Å; L563-N565 PolarHBondContact O-N 2.87Å
566	A	67.4	Low	87	Confident	18 Å²	18	25.8 Å²	25.8	15%	0.149	14%	0.136	C	C	.	.			trans	-111.4	137.9	178.7	0	0	0	0	0	112.5	H220 L563 D564	H220-A566 HydrophobicContact CB-CB 4.17Å; L563-A566 PolarHBondContact O-N 2.85Å; D564-A566 VanDerWaalsContact C-N 3.32Å; D564-A566 PolarHBondContact O-N 3.22Å
567	L	75.5	Confident	86.5	Confident	61 Å²	61	29 Å²	29	32%	0.319	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	153	169.2	-75.1	177.1	0	0	0	111.5	E484 F487 L488 L562	E484-L567 HydrophobicContact CB-CD2 4.38Å; E484-L567 HydrophobicContact CG-CD2 3.65Å; F487-L567 HydrophobicContact CD1-CD1 3.74Å; F487-L567 HydrophobicContact CD1-CD2 3.99Å; F487-L567 HydrophobicContact CD1-CG 3.89Å; F487-L567 HydrophobicContact CE1-CD1 3.52Å; F487-L567 HydrophobicContact CE1-CD2 4.48Å; F487-L567 HydrophobicContact CE1-CG 3.87Å; L488-L567 HydrophobicContact CD2-CD1 3.95Å; L488-L567 HydrophobicContact CD2-CD2 4.37Å; L488-L567 HydrophobicContact CG-CD2 4.4Å; L562-L567 HydrophobicContact CD1-CD2 3.6Å; L562-L567 HydrophobicContact CD1-CG 3.93Å
568	G	71.3	Confident	86	Confident	11 Å²	11	33.3 Å²	33.3	11%	0.113	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.1	-13.6	166.7	0	0	0	0	0	115.7	Y532 N587 R590	Y532-G568 PolarHBondContact OH-O 3.4Å; Y532-G568 VanDerWaalsContact OH-O 3.08Å; G568-N587 VanDerWaalsContact CA-CG 3.43Å; G568-N587 PolarHBondContact N-ND2 2.87Å; G568-N587 PolarHBondContact O-N 2.96Å; G568-R590 VanDerWaalsContact O-CD 3.28Å; G568-R590 WeakPolarHBondContact O-CD 3.22Å
569	T	84.9	Confident	85.7	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.7	-179.1	-62.9	0	0	0	0	109.8	Y532 S534 L563 L584	Y532-T569 HydrophobicContact CE1-CG2 3.76Å; Y532-T569 PolarHBondContact OH-OG1 2.79Å; S534-T569 PolarHBondContact OG-OG1 2.95Å; L563-T569 HydrophobicContact CD2-CG2 4.47Å; T569-L584 HydrophobicContact CG2-CB 3.94Å; T569-L584 HydrophobicContact CG2-CD1 4.39Å; T569-L584 HydrophobicContact CG2-CD2 3.92Å; T569-L584 HydrophobicContact CG2-CG 4.3Å
570	W	92.1	Very high	85.5	Confident	8 Å²	8	39.7 Å²	39.7	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146.4	170.8	-63	-12.5	0	0	0	110.8	E484 F521 V523 V558 D560 T561 L584 I585 N587 E588 Y613	E484-W570 PolarHBondContact OE2-NE1 3.26Å; F521-W570 HydrophobicContact CE2-CZ3 4.33Å; F521-W570 HydrophobicContact CZ-CZ3 4.4Å; V523-W570 HydrophobicContact CG1-CZ3 4.49Å; V558-W570 HydrophobicContact CG1-CB 4.07Å; V558-W570 HydrophobicContact CG1-CD2 4.32Å; V558-W570 HydrophobicContact CG1-CE3 4.29Å; V558-W570 HydrophobicContact CG1-CG 4.28Å; V558-W570 HydrophobicContact CG2-CE3 3.96Å; V558-W570 HydrophobicContact CG2-CZ3 4.46Å; D560-W570 CarbonylContact O-C 3.57Å; D560-W570 VanDerWaalsContact O-CA 3.27Å; D560-W570 WeakPolarHBondContact O-CA 3.27Å; T561-W570 VanDerWaalsContact CA-CD1 3.42Å; T561-W570 PolarHBondContact O-NE1 2.87Å; W570-L584 WeakPolarHBondContact O-CA 3.42Å; W570-I585 HydrophobicContact CB-CD1 4.49Å; W570-I585 HydrophobicContact CB-CG1 3.9Å; W570-I585 HydrophobicContact CE3-CD1 4.31Å; W570-I585 PolarHBondContact N-O 2.92Å; W570-I585 PolarHBondContact O-N 2.85Å; W570-N587 HydrophobicContact CD2-CB 4.13Å; W570-N587 HydrophobicContact CG-CB 4.17Å; W570-N587 HydrophobicContact CZ2-CB 4.07Å; W570-E588 HydrophobicContact CH2-CB 3.87Å; W570-E588 HydrophobicContact CZ2-CB 4.1Å; W570-Y613 HydrophobicContact CZ3-CD2 4.05Å; W570-Y613 HydrophobicContact CZ3-CE2 4.33Å
571	L	92	Very high	85.3	Confident	14 Å²	14	40.7 Å²	40.7	7%	0.073	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.7	168.9	-167.8	70.4	0	0	0	108.4	Y545 H559 D560 L563 I582 L584	Y545-L571 HydrophobicContact CD1-CD1 4.14Å; Y545-L571 HydrophobicContact CD2-CD1 3.74Å; Y545-L571 HydrophobicContact CE1-CD1 4.33Å; Y545-L571 HydrophobicContact CE2-CD1 3.96Å; Y545-L571 HydrophobicContact CG-CD1 3.85Å; H559-L571 PolarHBondContact N-O 2.88Å; D560-L571 HydrophobicContact CB-CB 3.76Å; D560-L571 HydrophobicContact CB-CD2 4.33Å; D560-L571 PolarHBondContact N-O 2.78Å; D560-L571 PolarHBondContact O-N 3.27Å; L563-L571 HydrophobicContact CD1-CB 4.3Å; L563-L571 HydrophobicContact CD1-CD2 4.2Å; L563-L571 HydrophobicContact CD2-CB 4.35Å; L563-L571 HydrophobicContact CD2-CD1 4.18Å; L571-I582 HydrophobicContact CD1-CG2 3.43Å; L571-I582 VanDerWaalsContact CD1-CG2 3.43Å; L571-I582 HydrophobicContact CD2-CG2 4.03Å; L571-I582 HydrophobicContact CG-CG2 3.58Å; L571-L584 HydrophobicContact CD1-CD2 3.85Å
572	A	94.5	Very high	85.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158	-173.3	0	0	0	0	0	112.7	F556 H557 I582 G583 I585	F556-A572 HydrophobicContact CB-CB 4.2Å; F556-A572 HydrophobicContact CD1-CB 4.47Å; H557-A572 CarbonylContact O-C 3.57Å; H557-A572 WeakPolarHBondContact O-CA 3.47Å; H557-A572 WeakPolarHBondContact O-CB 3.47Å; A572-I582 CarbonylContact O-C 3.52Å; A572-I582 WeakPolarHBondContact O-CA 3.49Å; A572-G583 PolarHBondContact N-O 3.41Å; A572-G583 PolarHBondContact O-N 2.98Å; A572-G583 VanDerWaalsContact O-O 3.09Å; A572-I585 HydrophobicContact CB-CD1 3.59Å; A572-I585 HydrophobicContact CB-CG1 3.88Å; A572-I585 HydrophobicContact CB-CG2 4.45Å
573	T	94.8	Very high	85.3	Confident	25 Å²	25	43.6 Å²	43.6	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.7	159.5	47.4	0	0	0	0	108.3	F556 H557 H559 S580 I582	F556-T573 CarbonylContact C-O 3.48Å; F556-T573 VanDerWaalsContact CA-O 3.23Å; F556-T573 WeakPolarHBondContact CA-O 3.37Å; H557-T573 PolarHBondContact N-O 3.06Å; H557-T573 PolarHBondContact O-N 2.99Å; H559-T573 WeakPolarHBondContact NE2-CG2 3.29Å; H559-T573 PolarHBondContact NE2-OG1 3.32Å; T573-S580 WeakPolarHBondContact CB-O 3.35Å; T573-I582 HydrophobicContact CG2-CB 4.24Å; T573-I582 HydrophobicContact CG2-CG1 3.54Å
574	K	94.7	Very high	85.7	Confident	39 Å²	39	43.5 Å²	43.5	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.6	163.4	-169.9	173.6	171.7	157.9	0	107.8	D554 F556 Y576 N578 T579 S580	D554-K574 WeakPolarHBondContact OD1-CE 3.47Å; D554-K574 IonicContact OD1-NZ 2.8Å; D554-K574 PolarHBondContact OD1-NZ 2.86Å; D554-K574 WeakPolarHBondContact OD2-CE 3.4Å; D554-K574 IonicContact OD2-NZ 3.49Å; D554-K574 PolarHBondContact OD2-NZ 3.17Å; F556-K574 HydrophobicContact CD1-CB 4.08Å; F556-K574 HydrophobicContact CD1-CG 4.48Å; F556-K574 HydrophobicContact CE1-CB 3.92Å; F556-K574 HydrophobicContact CE1-CG 4.15Å; F556-K574 HydrophobicContact CZ-CG 4.5Å; K574-Y576 WeakPolarHBondContact CE-O 3.49Å; K574-N578 WeakPolarHBondContact CG-O 3.46Å; K574-T579 CarbonylContact O-C 3.56Å; K574-T579 VanDerWaalsContact O-CA 3.24Å; K574-T579 WeakPolarHBondContact O-CA 3.16Å; K574-S580 VanDerWaalsContact CB-OG 3.23Å; K574-S580 WeakPolarHBondContact CB-OG 3.35Å; K574-S580 PolarHBondContact N-OG 2.68Å; K574-S580 PolarHBondContact O-N 2.83Å
575	A	94.8	Very high	86.7	Confident	26 Å²	26	41.5 Å²	41.5	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-30.2	-178.1	0	0	0	0	0	112.5	Y522 I555 H557	Y522-A575 HydrophobicContact CD1-CB 4Å; Y522-A575 HydrophobicContact CE1-CB 3.88Å; I555-A575 PolarHBondContact O-N 2.97Å; H557-A575 HydrophobicContact CB-CB 4.48Å
576	Y	93	Very high	87.7	Confident	97 Å²	97	37.3 Å²	37.3	38%	0.38	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.9	179.1	-179.8	-89.9	0	0	0	110.4	I555 K574	I555-Y576 HydrophobicContact CD1-CD1 4.17Å; I555-Y576 HydrophobicContact CD1-CG 4.32Å; I555-Y576 HydrophobicContact CG1-CD1 4.3Å; I555-Y576 PolarHBondContact N-O 3.21Å; I555-Y576 VanDerWaalsContact N-O 3.08Å; I555-Y576 PolarHBondContact O-N 3.4Å; K574-Y576 WeakPolarHBondContact CE-O 3.49Å
577	P	86.7	Confident	88.8	Confident	68 Å²	68	36.7 Å²	36.7	44%	0.442	21%	0.209	S	C	.	.	S	Bend	cis	-72.1	-27.1	-0.9	27.6	-36.3	0	0	0	115	D554	D554-P577 WeakPolarHBondContact OD1-CD 3.48Å
578	N	86.5	Confident	89.5	Confident	120 Å²	120	35.3 Å²	35.3	64%	0.642	20%	0.2	S	C	*	.	S	Bend	trans	-118.3	145.8	176.7	-58.7	-29.5	0	0	0	108.8	K574 S580	K574-N578 WeakPolarHBondContact CG-O 3.46Å; N578-S580 PolarHBondContact O-N 3.47Å
579	T	89.1	Confident	90	Very high	126 Å²	126	37.3 Å²	37.3	77%	0.773	21%	0.207	S	C	*	.			trans	-66.4	132	169.9	45.4	0	0	0	0	110.1	K574	K574-T579 CarbonylContact O-C 3.56Å; K574-T579 VanDerWaalsContact O-CA 3.24Å; K574-T579 WeakPolarHBondContact O-CA 3.16Å
580	S	88.4	Confident	89.9	Confident	36 Å²	36	39.7 Å²	39.7	25%	0.252	21%	0.214	S	C	.	.			trans	-104.2	163.4	159	81.7	0	0	0	0	109.2	T573 K574 N578	T573-S580 WeakPolarHBondContact CB-O 3.35Å; K574-S580 VanDerWaalsContact CB-OG 3.23Å; K574-S580 WeakPolarHBondContact CB-OG 3.35Å; K574-S580 PolarHBondContact N-OG 2.68Å; K574-S580 PolarHBondContact O-N 2.83Å; N578-S580 PolarHBondContact O-N 3.47Å
581	S	86.3	Confident	89.7	Confident	47 Å²	47	39.3 Å²	39.3	33%	0.329	21%	0.213	S	C	.	.			trans	-66.3	176.1	160	58.8	0	0	0	0	113.2	T1221	S581-T1221 VanDerWaalsContact CB-CG2 3.45Å; S581-T1221 WeakPolarHBondContact CB-OG1 3.42Å; S581-T1221 VanDerWaalsContact OG-CB 3.24Å; S581-T1221 WeakPolarHBondContact OG-CB 3.25Å; S581-T1221 VanDerWaalsContact OG-CG2 3.24Å; S581-T1221 WeakPolarHBondContact OG-CG2 3.4Å; S581-T1221 PolarHBondContact OG-OG1 3.21Å
582	I	89.5	Confident	89.4	Confident	64 Å²	64	41.5 Å²	41.5	33%	0.328	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128	-177.1	-60.1	166.5	0	0	0	110.5	Y545 L571 A572 T573 T1221	Y545-I582 HydrophobicContact CD1-CB 4.34Å; Y545-I582 HydrophobicContact CD1-CG2 3.81Å; Y545-I582 HydrophobicContact CE1-CB 4.24Å; Y545-I582 HydrophobicContact CE1-CG2 3.72Å; L571-I582 HydrophobicContact CD1-CG2 3.43Å; L571-I582 VanDerWaalsContact CD1-CG2 3.43Å; L571-I582 HydrophobicContact CD2-CG2 4.03Å; L571-I582 HydrophobicContact CG-CG2 3.58Å; A572-I582 CarbonylContact O-C 3.52Å; A572-I582 WeakPolarHBondContact O-CA 3.49Å; T573-I582 HydrophobicContact CG2-CB 4.24Å; T573-I582 HydrophobicContact CG2-CG1 3.54Å; I582-T1221 WeakPolarHBondContact O-CG2 3.29Å
583	G	88.3	Confident	88.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-170.7	173.3	0	0	0	0	0	112.5	S546 A572	S546-G583 CarbonylContact O-C 3.55Å; S546-G583 WeakPolarHBondContact O-CA 3.43Å; A572-G583 PolarHBondContact N-O 3.41Å; A572-G583 PolarHBondContact O-N 2.98Å; A572-G583 VanDerWaalsContact O-O 3.09Å
584	L	90	Very high	88.1	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.8	-173.8	-53.2	179.8	0	0	0	110.7	Y532 S546 G547 L548 L563 T569 W570 L571	Y532-L584 HydrophobicContact CD1-CB 3.89Å; Y532-L584 HydrophobicContact CE1-CB 4.21Å; S546-L584 PolarHBondContact O-N 2.65Å; G547-L584 CarbonylContact C-O 3.42Å; G547-L584 WeakPolarHBondContact CA-O 3.46Å; L548-L584 PolarHBondContact N-O 3.17Å; L563-L584 HydrophobicContact CD2-CD2 3.43Å; L563-L584 VanDerWaalsContact CD2-CD2 3.43Å; T569-L584 HydrophobicContact CG2-CB 3.94Å; T569-L584 HydrophobicContact CG2-CD1 4.39Å; T569-L584 HydrophobicContact CG2-CD2 3.92Å; T569-L584 HydrophobicContact CG2-CG 4.3Å; W570-L584 WeakPolarHBondContact O-CA 3.42Å; L571-L584 HydrophobicContact CD1-CD2 3.85Å
585	I	91.3	Very high	87.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155	168.7	61.6	176.4	0	0	0	109.4	L548 I550 F556 V558 W570 A572	L548-I585 HydrophobicContact CB-CG2 3.93Å; L548-I585 HydrophobicContact CD1-CG2 4.14Å; L548-I585 HydrophobicContact CG-CG2 4.36Å; I550-I585 HydrophobicContact CD1-CB 4.26Å; I550-I585 HydrophobicContact CD1-CG2 4.13Å; I550-I585 HydrophobicContact CG1-CG2 4.4Å; F556-I585 HydrophobicContact CB-CD1 4.08Å; F556-I585 HydrophobicContact CD1-CG2 4.06Å; F556-I585 HydrophobicContact CE1-CG2 4.06Å; F556-I585 HydrophobicContact CG-CD1 4.18Å; V558-I585 HydrophobicContact CG2-CD1 4.44Å; W570-I585 HydrophobicContact CB-CD1 4.49Å; W570-I585 HydrophobicContact CB-CG1 3.9Å; W570-I585 HydrophobicContact CE3-CD1 4.31Å; W570-I585 PolarHBondContact N-O 2.92Å; W570-I585 PolarHBondContact O-N 2.85Å; A572-I585 HydrophobicContact CB-CD1 3.59Å; A572-I585 HydrophobicContact CB-CG1 3.88Å; A572-I585 HydrophobicContact CB-CG2 4.45Å
586	P	90.9	Very high	86.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	146.9	171.7	27.1	-33.4	0	0	0	109.7	F527 M529 Y532 I550 R590 A591 Y613	F527-P586 HydrophobicContact CZ-CG 4.27Å; M529-P586 HydrophobicContact CE-CG 4.14Å; M529-P586 HydrophobicContact SD-CG 4.14Å; Y532-P586 HydrophobicContact CD2-CB 3.85Å; Y532-P586 HydrophobicContact CD2-CG 4.05Å; Y532-P586 HydrophobicContact CE2-CB 3.62Å; Y532-P586 HydrophobicContact CE2-CG 4.33Å; I550-P586 HydrophobicContact CD1-CG 4.25Å; P586-R590 HydrophobicContact CB-CB 3.88Å; P586-R590 HydrophobicContact CB-CG 3.97Å; P586-A591 HydrophobicContact CB-CB 4.43Å; P586-A591 HydrophobicContact CG-CB 4.13Å; P586-Y613 WeakPolarHBondContact O-CE2 3.4Å; P586-Y613 PolarHBondContact O-OH 2.85Å
587	N	90.7	Very high	85.6	Confident	4 Å²	4	48 Å²	48	2%	0.021	26%	0.26	C	S	.	.			trans	-66.6	168.1	163.9	82.7	-16.6	0	0	0	110.9	E484 G568 W570 Q589 R590 A591	E484-N587 VanDerWaalsContact CD-ND2 3.3Å; E484-N587 PolarHBondContact OE1-ND2 2.79Å; E484-N587 WeakPolarHBondContact OE2-CB 3.38Å; E484-N587 PolarHBondContact OE2-ND2 3.44Å; G568-N587 VanDerWaalsContact CA-CG 3.43Å; G568-N587 PolarHBondContact N-ND2 2.87Å; G568-N587 PolarHBondContact O-N 2.96Å; W570-N587 HydrophobicContact CD2-CB 4.13Å; W570-N587 HydrophobicContact CG-CB 4.17Å; W570-N587 HydrophobicContact CZ2-CB 4.07Å; N587-Q589 VanDerWaalsContact C-N 3.33Å; N587-Q589 PolarHBondContact O-N 3.15Å; N587-Q589 PolarHBondContact OD1-N 2.92Å; N587-R590 PolarHBondContact O-N 2.75Å; N587-R590 VanDerWaalsContact OD1-CB 3.3Å; N587-R590 WeakPolarHBondContact OD1-CB 3.39Å; N587-R590 PolarHBondContact OD1-N 2.79Å; N587-A591 WeakPolarHBondContact O-CB 3.38Å; N587-A591 PolarHBondContact O-N 3.36Å
588	E	88.8	Confident	84.7	Confident	32 Å²	32	49.6 Å²	49.6	15%	0.15	27%	0.265	C	S	.	.	H	α-helix	trans	-52.2	-45.7	-179.3	-177.8	174.1	143.9	0	0	113.9	W570 R590 A591 Q592 Y613 R996	W570-E588 HydrophobicContact CH2-CB 3.87Å; W570-E588 HydrophobicContact CZ2-CB 4.1Å; E588-R590 VanDerWaalsContact C-N 3.31Å; E588-R590 PolarHBondContact O-N 3.16Å; E588-A591 PolarHBondContact O-N 3.27Å; E588-Q592 WeakPolarHBondContact O-CB 3.32Å; E588-Q592 PolarHBondContact O-N 3.49Å; E588-Y613 HydrophobicContact CB-CD2 4.46Å; E588-R996 VanDerWaalsContact OE1-CG 3.3Å; E588-R996 WeakPolarHBondContact OE1-CG 3.38Å; E588-R996 IonicContact OE1-CZ 2.6Å; E588-R996 IonicContact OE1-NE 3.83Å; E588-R996 PolarHBondContact OE1-NE 3.01Å; E588-R996 IonicContact OE1-NH2 2.75Å; E588-R996 IonicContact OE2-CZ 2.69Å; E588-R996 VanDerWaalsContact OE2-CZ 3.23Å; E588-R996 IonicContact OE2-NE 2.89Å; E588-R996 PolarHBondContact OE2-NE 3.3Å; E588-R996 IonicContact OE2-NH2 3.19Å; E588-R996 PolarHBondContact OE2-NH2 2.96Å
589	Q	82.6	Confident	83.3	Confident	53 Å²	53	49.4 Å²	49.4	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-37.4	179.5	-63.2	-175.2	-0.5	0	0	112.2	N587 R593	N587-Q589 VanDerWaalsContact C-N 3.33Å; N587-Q589 PolarHBondContact O-N 3.15Å; N587-Q589 PolarHBondContact OD1-N 2.92Å; Q589-R593 VanDerWaalsContact O-CG 3.31Å; Q589-R593 WeakPolarHBondContact O-CG 3.4Å; Q589-R593 PolarHBondContact O-N 2.71Å
590	R	83.5	Confident	81.2	Confident	65 Å²	65	48.5 Å²	48.5	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-74.9	-36.5	177.9	-169.2	172.9	-168.5	151.5	9.5	111.8	Y532 G568 P586 N587 E588 F594	Y532-R590 VanDerWaalsContact OH-CD 3.27Å; Y532-R590 WeakPolarHBondContact OH-CD 3.23Å; Y532-R590 VanDerWaalsContact OH-CZ 3.31Å; Y532-R590 PolarHBondContact OH-NE 2.81Å; Y532-R590 PolarHBondContact OH-NH1 3.37Å; G568-R590 VanDerWaalsContact O-CD 3.28Å; G568-R590 WeakPolarHBondContact O-CD 3.22Å; P586-R590 HydrophobicContact CB-CB 3.88Å; P586-R590 HydrophobicContact CB-CG 3.97Å; N587-R590 PolarHBondContact O-N 2.75Å; N587-R590 VanDerWaalsContact OD1-CB 3.3Å; N587-R590 WeakPolarHBondContact OD1-CB 3.39Å; N587-R590 PolarHBondContact OD1-N 2.79Å; E588-R590 VanDerWaalsContact C-N 3.31Å; E588-R590 PolarHBondContact O-N 3.16Å; R590-F594 WeakPolarHBondContact O-CB 3.46Å; R590-F594 PolarHBondContact O-N 3.36Å
591	A	88.1	Confident	78.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-44.6	172.5	0	0	0	0	0	111.8	F527 P586 N587 E588 R593 F594 M595 P612 Y613	F527-A591 HydrophobicContact CE1-CB 3.78Å; F527-A591 HydrophobicContact CZ-CB 3.71Å; P586-A591 HydrophobicContact CB-CB 4.43Å; P586-A591 HydrophobicContact CG-CB 4.13Å; N587-A591 WeakPolarHBondContact O-CB 3.38Å; N587-A591 PolarHBondContact O-N 3.36Å; E588-A591 PolarHBondContact O-N 3.27Å; A591-R593 PolarHBondContact O-N 3.26Å; A591-F594 WeakPolarHBondContact O-CB 3.43Å; A591-F594 PolarHBondContact O-N 2.97Å; A591-M595 PolarHBondContact O-N 2.67Å; A591-P612 HydrophobicContact CB-CB 3.71Å; A591-P612 HydrophobicContact CB-CG 4.42Å; A591-Y613 HydrophobicContact CB-CD2 4.25Å; A591-Y613 HydrophobicContact CB-CE2 3.68Å
592	Q	85.2	Confident	76.4	Confident	60 Å²	60	62.6 Å²	62.6	28%	0.28	30%	0.302	S	S	.	.	H	α-helix	trans	-58.9	-47.6	175.5	-177.2	59	44.5	0	0	111.7	E588 F594 M595 S596 P612	E588-Q592 WeakPolarHBondContact O-CB 3.32Å; E588-Q592 PolarHBondContact O-N 3.49Å; Q592-F594 VanDerWaalsContact C-N 3.31Å; Q592-F594 PolarHBondContact O-N 3.42Å; Q592-M595 PolarHBondContact O-N 2.92Å; Q592-S596 PolarHBondContact NE2-OG 3.32Å; Q592-S596 PolarHBondContact O-N 3.08Å; Q592-S596 PolarHBondContact O-OG 2.9Å; Q592-P612 HydrophobicContact CB-CG 3.87Å
593	R	79.5	Confident	73.7	Confident	129 Å²	129	66.4 Å²	66.4	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-40.5	176.5	-71.9	174.2	-171.6	-179.8	6.3	112.2	D225 Q589 A591 S596 A597	D225-R593 IonicContact OD1-CZ 3.4Å; D225-R593 IonicContact OD1-NH1 2.69Å; D225-R593 PolarHBondContact OD1-NH1 2.99Å; D225-R593 IonicContact OD1-NH2 3.72Å; Q589-R593 VanDerWaalsContact O-CG 3.31Å; Q589-R593 WeakPolarHBondContact O-CG 3.4Å; Q589-R593 PolarHBondContact O-N 2.71Å; A591-R593 PolarHBondContact O-N 3.26Å; R593-S596 PolarHBondContact O-N 2.85Å; R593-A597 WeakPolarHBondContact O-CB 3.3Å; R593-A597 PolarHBondContact O-N 2.78Å
594	F	81.5	Confident	71	Confident	66 Å²	66	71.6 Å²	71.6	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-42.5	176.3	173.3	-95.8	0	0	0	112.1	F527 N528 M529 R590 A591 Q592 A597 N598	F527-F594 AromaticContact CD2-CD1 3.98Å; F527-F594 HydrophobicContact CD2-CD1 3.98Å; F527-F594 AromaticContact CD2-CE1 3.94Å; F527-F594 HydrophobicContact CD2-CE1 3.94Å; F527-F594 HydrophobicContact CE2-CD1 4.31Å; F527-F594 HydrophobicContact CE2-CE1 4.45Å; N528-F594 VanDerWaalsContact O-CE1 3.28Å; N528-F594 WeakPolarHBondContact O-CE1 3.48Å; M529-F594 HydrophobicContact CB-CE1 4.1Å; M529-F594 HydrophobicContact CB-CZ 4.13Å; M529-F594 HydrophobicContact CE-CB 4.05Å; M529-F594 HydrophobicContact CE-CD1 3.52Å; M529-F594 HydrophobicContact CE-CD2 3.55Å; M529-F594 HydrophobicContact CE-CE1 3.72Å; M529-F594 HydrophobicContact CE-CE2 3.75Å; M529-F594 HydrophobicContact CE-CG 3.41Å; M529-F594 VanDerWaalsContact CE-CG 3.41Å; M529-F594 HydrophobicContact CE-CZ 3.82Å; M529-F594 HydrophobicContact CG-CE1 4.48Å; M529-F594 HydrophobicContact CG-CZ 4.16Å; R590-F594 WeakPolarHBondContact O-CB 3.46Å; R590-F594 PolarHBondContact O-N 3.36Å; A591-F594 WeakPolarHBondContact O-CB 3.43Å; A591-F594 PolarHBondContact O-N 2.97Å; Q592-F594 VanDerWaalsContact C-N 3.31Å; Q592-F594 PolarHBondContact O-N 3.42Å; F594-A597 PolarHBondContact O-N 2.7Å; F594-N598 VanDerWaalsContact CE1-ND2 3.28Å; F594-N598 WeakPolarHBondContact CE1-ND2 3.19Å; F594-N598 VanDerWaalsContact CE2-ND2 3.26Å; F594-N598 WeakPolarHBondContact CE2-ND2 3.22Å; F594-N598 WeakPolarHBondContact CZ-ND2 3.45Å; F594-N598 PolarHBondContact O-N 3.33Å; F594-N598 PolarHBondContact O-ND2 2.71Å
595	M	80.7	Confident	68.5	Low	19 Å²	19	79 Å²	79	9%	0.094	40%	0.4	C	S	.	.	H	α-helix	trans	-62.5	-48.1	174.4	-71.5	-178.2	70.3	0	0	111.9	F527 A591 Q592 A597 N598 Q599 P612	F527-M595 HydrophobicContact CB-CE 4.24Å; F527-M595 HydrophobicContact CB-CG 3.74Å; F527-M595 HydrophobicContact CB-SD 3.78Å; F527-M595 HydrophobicContact CD1-CG 4.32Å; F527-M595 HydrophobicContact CD1-SD 3.84Å; F527-M595 HydrophobicContact CG-CG 4.04Å; F527-M595 HydrophobicContact CG-SD 4.06Å; A591-M595 PolarHBondContact O-N 2.67Å; Q592-M595 PolarHBondContact O-N 2.92Å; M595-A597 VanDerWaalsContact C-N 3.26Å; M595-A597 PolarHBondContact O-N 3.16Å; M595-N598 PolarHBondContact O-N 3.1Å; M595-N598 VanDerWaalsContact O-N 3.13Å; M595-Q599 WeakPolarHBondContact O-CG 3.49Å; M595-Q599 PolarHBondContact O-N 2.73Å; M595-P612 VanDerWaalsContact SD-CA 3.53Å; M595-P612 HydrophobicContact SD-CB 3.55Å; M595-P612 VanDerWaalsContact SD-CB 3.55Å; M595-P612 HydrophobicContact SD-CG 3.67Å
596	S	77.2	Confident	65.9	Low	63 Å²	63	89 Å²	89	44%	0.441	45%	0.447	S	S	.	.	H	α-helix	trans	-63.8	-28.2	178.1	-61.5	0	0	0	0	113.5	Q592 R593	Q592-S596 PolarHBondContact NE2-OG 3.32Å; Q592-S596 PolarHBondContact O-N 3.08Å; Q592-S596 PolarHBondContact O-OG 2.9Å; R593-S596 PolarHBondContact O-N 2.85Å
597	A	73.7	Confident	64.1	Low	46 Å²	46	93 Å²	93	38%	0.38	47%	0.474	S	S	.	.	H	α-helix	trans	-76.6	-23	175.3	0	0	0	0	0	113.8	R593 F594 M595 F600	R593-A597 WeakPolarHBondContact O-CB 3.3Å; R593-A597 PolarHBondContact O-N 2.78Å; F594-A597 PolarHBondContact O-N 2.7Å; M595-A597 VanDerWaalsContact C-N 3.26Å; M595-A597 PolarHBondContact O-N 3.16Å; A597-F600 WeakPolarHBondContact O-CD2 3.23Å
598	N	66.4	Low	62.8	Low	102 Å²	102	95.8 Å²	95.8	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-99.9	-9.5	-177.2	-67.9	-21.2	0	0	0	114	F594 M595 F600	F594-N598 VanDerWaalsContact CE1-ND2 3.28Å; F594-N598 WeakPolarHBondContact CE1-ND2 3.19Å; F594-N598 VanDerWaalsContact CE2-ND2 3.26Å; F594-N598 WeakPolarHBondContact CE2-ND2 3.22Å; F594-N598 WeakPolarHBondContact CZ-ND2 3.45Å; F594-N598 PolarHBondContact O-N 3.33Å; F594-N598 PolarHBondContact O-ND2 2.71Å; M595-N598 PolarHBondContact O-N 3.1Å; M595-N598 VanDerWaalsContact O-N 3.13Å; N598-F600 PolarHBondContact O-N 3.35Å
599	Q	58.3	Low	61.9	Low	116 Å²	116	98.3 Å²	98.3	54%	0.542	51%	0.508	S	S	.	.			trans	-81.3	13.2	-177.2	-81.5	176	-12.9	0	0	115	M595 Q601	M595-Q599 WeakPolarHBondContact O-CG 3.49Å; M595-Q599 PolarHBondContact O-N 2.73Å; Q599-Q601 VanDerWaalsContact C-N 3.31Å; Q599-Q601 PolarHBondContact O-N 3.28Å
600	F	43.7	Very low	61.8	Low	106 Å²	106	96.2 Å²	96.2	47%	0.465	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	73.9	175.6	-73.4	-92.2	0	0	0	112.3	S270 A597 N598	S270-F600 WeakPolarHBondContact OG-CD2 3.21Å; S270-F600 VanDerWaalsContact OG-CE2 3.23Å; S270-F600 WeakPolarHBondContact OG-CE2 3.23Å; A597-F600 WeakPolarHBondContact O-CD2 3.23Å; N598-F600 PolarHBondContact O-N 3.35Å
601	Q	38.3	Very low	62	Low	197 Å²	197	95 Å²	95	92%	0.921	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175.8	-14.5	149.9	-106.8	158.1	15	0	0	116.9	Q599	Q599-Q601 VanDerWaalsContact C-N 3.31Å; Q599-Q601 PolarHBondContact O-N 3.28Å
602	E	36.9	Very low	62.2	Low	182 Å²	182	95 Å²	95	85%	0.85	50%	0.499	S	S	*	.	S	Bend	trans	-88.6	138.7	-178.7	-70.3	-179.5	174.5	0	0	112.7	A604	E602-A604 PolarHBondContact O-N 3.25Å
603	N	32.8	Very low	62.7	Low	145 Å²	145	92.1 Å²	92.1	78%	0.775	49%	0.486	S	S	*	.			trans	-60.1	125.6	-173.1	-76.6	-52.5	0	0	0	112.8	Q605	N603-Q605 PolarHBondContact O-N 2.89Å
604	A	31	Very low	63.4	Low	108 Å²	108	86.7 Å²	86.7	89%	0.893	47%	0.466	S	S	*	.			trans	-76.7	58.6	-176.1	0	0	0	0	0	114.3	E602	E602-A604 PolarHBondContact O-N 3.25Å
605	Q	36.5	Very low	64	Low	166 Å²	166	85.4 Å²	85.4	78%	0.776	46%	0.459	S	S	*	.	S	Bend	trans	-115	104.1	171.2	-71.6	-171.6	-87.8	0	0	111.3	N603 S607	N603-Q605 PolarHBondContact O-N 2.89Å; Q605-S607 PolarHBondContact O-N 2.84Å
606	E	37.9	Very low	64.8	Low	210 Å²	210	84.5 Å²	84.5	98%	0.981	46%	0.455	S	S	*	.	S	Bend	trans	49.5	16.1	161.4	-60.2	-169.1	144.3	0	0	118.6	F608	E606-F608 PolarHBondContact O-N 2.85Å
607	S	52.3	Low	65.6	Low	83 Å²	83	82.4 Å²	82.4	58%	0.58	44%	0.439	S	S	*	.			trans	-71.6	117.1	178.5	61.4	0	0	0	0	111.8	Q605 S609	Q605-S607 PolarHBondContact O-N 2.84Å; S607-S609 PolarHBondContact O-N 3.49Å; S607-S609 VanDerWaalsContact O-N 3.12Å
608	F	62.9	Low	66.6	Low	63 Å²	63	84.1 Å²	84.1	28%	0.276	44%	0.439	S	S	.	.			trans	-51.9	114.7	168.9	171.8	-93.8	0	0	0	111.5	E606 P610 R726 L729 L1043	E606-F608 PolarHBondContact O-N 2.85Å; F608-P610 HydrophobicContact CE1-CB 4.31Å; F608-R726 HydrophobicContact CD1-CG 3.62Å; F608-R726 HydrophobicContact CE1-CG 3.92Å; F608-R726 HydrophobicContact CG-CG 4.07Å; F608-L729 HydrophobicContact CE1-CD1 3.58Å; F608-L729 HydrophobicContact CZ-CD1 3.65Å; F608-L1043 HydrophobicContact CD2-CD2 3.73Å; F608-L1043 HydrophobicContact CE2-CD1 4.35Å; F608-L1043 HydrophobicContact CE2-CD2 3.77Å
609	S	71.1	Confident	68	Low	85 Å²	85	80 Å²	80	59%	0.594	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-102.8	116.8	173.7	60.8	0	0	0	0	110.6	S607	S607-S609 PolarHBondContact O-N 3.49Å; S607-S609 VanDerWaalsContact O-N 3.12Å
610	P	80	Confident	69.5	Low	10 Å²	10	79.6 Å²	79.6	7%	0.065	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-67.2	155	173.2	29.7	-36	0	0	0	111.5	Y526 F608 L729	Y526-P610 HydrophobicContact CD1-CB 3.61Å; Y526-P610 HydrophobicContact CD1-CG 3.45Å; Y526-P610 VanDerWaalsContact CD1-CG 3.45Å; Y526-P610 HydrophobicContact CD2-CB 4.16Å; Y526-P610 HydrophobicContact CE1-CB 4.04Å; Y526-P610 HydrophobicContact CE1-CG 4.22Å; Y526-P610 HydrophobicContact CG-CB 3.67Å; Y526-P610 HydrophobicContact CG-CG 3.71Å; F608-P610 HydrophobicContact CE1-CB 4.31Å; P610-L729 HydrophobicContact CB-CD1 3.76Å
611	P	87.7	Confident	71.7	Confident	38 Å²	38	80 Å²	80	25%	0.247	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-64	155.6	173.1	29.9	-35.9	0	0	0	110.6	Y526 Y613	Y526-P611 WeakPolarHBondContact CB-O 3.28Å; Y526-P611 WeakPolarHBondContact CD2-O 3.38Å; P611-Y613 PolarHBondContact O-N 3Å; P611-Y613 VanDerWaalsContact O-N 3.16Å
612	P	92	Very high	74.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-57.5	-36	-177.5	-21.4	30.3	0	0	0	113	A525 Y526 F527 A591 Q592 M595	A525-P612 WeakPolarHBondContact CA-O 3.09Å; Y526-P612 PolarHBondContact N-O 3.35Å; F527-P612 HydrophobicContact CD1-CB 4.01Å; F527-P612 WeakPolarHBondContact CD1-O 3.4Å; F527-P612 HydrophobicContact CE1-CB 3.95Å; F527-P612 WeakPolarHBondContact CE1-O 3.33Å; A591-P612 HydrophobicContact CB-CB 3.71Å; A591-P612 HydrophobicContact CB-CG 4.42Å; Q592-P612 HydrophobicContact CB-CG 3.87Å; M595-P612 VanDerWaalsContact SD-CA 3.53Å; M595-P612 HydrophobicContact SD-CB 3.55Å; M595-P612 VanDerWaalsContact SD-CB 3.55Å; M595-P612 HydrophobicContact SD-CG 3.67Å
613	Y	95.6	Very high	76.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.4	174.6	-67.2	-57.9	0	0	0	110	V523 R524 A525 F527 I550 W570 P586 E588 A591 P611 R996	V523-Y613 HydrophobicContact CB-CD1 4.13Å; V523-Y613 HydrophobicContact CB-CG 4.31Å; V523-Y613 HydrophobicContact CG2-CD1 3.88Å; V523-Y613 HydrophobicContact CG2-CE1 4.31Å; V523-Y613 HydrophobicContact CG2-CG 4.3Å; R524-Y613 CarbonylContact O-C 3.49Å; R524-Y613 VanDerWaalsContact O-CA 3.27Å; R524-Y613 WeakPolarHBondContact O-CA 3.21Å; A525-Y613 HydrophobicContact CB-CD1 4.11Å; A525-Y613 HydrophobicContact CB-CE1 3.91Å; F527-Y613 HydrophobicContact CE1-CD1 4.35Å; F527-Y613 AromaticContact CE1-CE1 3.85Å; F527-Y613 HydrophobicContact CE1-CE1 3.85Å; F527-Y613 HydrophobicContact CE1-CE2 4.29Å; F527-Y613 AromaticContact CE1-CZ 3.82Å; F527-Y613 HydrophobicContact CZ-CE1 4.13Å; F527-Y613 HydrophobicContact CZ-CE2 4.41Å; F527-Y613 AromaticContact CZ-CZ 3.78Å; I550-Y613 WeakPolarHBondContact CD1-OH 3.35Å; W570-Y613 HydrophobicContact CZ3-CD2 4.05Å; W570-Y613 HydrophobicContact CZ3-CE2 4.33Å; P586-Y613 WeakPolarHBondContact O-CE2 3.4Å; P586-Y613 PolarHBondContact O-OH 2.85Å; E588-Y613 HydrophobicContact CB-CD2 4.46Å; A591-Y613 HydrophobicContact CB-CD2 4.25Å; A591-Y613 HydrophobicContact CB-CE2 3.68Å; P611-Y613 PolarHBondContact O-N 3Å; P611-Y613 VanDerWaalsContact O-N 3.16Å; Y613-R996 PolarHBondContact O-NH1 3.28Å; Y613-R996 PolarHBondContact O-NH2 3.29Å
614	E	94.7	Very high	79.8	Confident	16 Å²	16	62 Å²	62	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.3	165.7	176.5	-162.5	-168.2	0	0	107.9	V523 R524 Y526 V616 L729 G840	V523-E614 CarbonylContact C-O 3.6Å; V523-E614 WeakPolarHBondContact CA-O 3.38Å; R524-E614 HydrophobicContact CB-CB 4.44Å; R524-E614 IonicContact CZ-OE2 3.2Å; R524-E614 PolarHBondContact N-O 2.82Å; R524-E614 IonicContact NE-OE2 2.65Å; R524-E614 IonicContact NH1-OE1 3.51Å; R524-E614 IonicContact NH1-OE2 2.57Å; R524-E614 PolarHBondContact NH1-OE2 3Å; R524-E614 PolarHBondContact O-N 3.3Å; Y526-E614 HydrophobicContact CD2-CB 4.43Å; Y526-E614 HydrophobicContact CE2-CB 3.75Å; Y526-E614 PolarHBondContact OH-OE2 3.48Å; Y526-E614 VanDerWaalsContact OH-OE2 3.1Å; E614-V616 HydrophobicContact CB-CG1 4.5Å; E614-V616 HydrophobicContact CG-CG1 4.03Å; E614-L729 HydrophobicContact CB-CD2 4.39Å; E614-L729 HydrophobicContact CG-CD2 4.06Å; E614-G840 WeakPolarHBondContact OE1-CA 3.43Å; E614-G840 PolarHBondContact OE1-N 2.83Å
615	R	95.2	Very high	82.8	Confident	38 Å²	38	58.3 Å²	58.3	14%	0.143	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.3	170.2	-73.8	-162.3	172.7	137	7.3	110.1	E485 F521 Y522 V523 G840 E841	E485-R615 IonicContact OE1-CZ 3.85Å; E485-R615 VanDerWaalsContact OE1-CZ 3.3Å; E485-R615 IonicContact OE1-NH1 3.74Å; E485-R615 PolarHBondContact OE1-NH1 3.01Å; E485-R615 IonicContact OE1-NH2 3.54Å; E485-R615 PolarHBondContact OE1-NH2 3.17Å; E485-R615 IonicContact OE2-NH2 2.78Å; F521-R615 HydrophobicContact CD2-CG 4.16Å; Y522-R615 WeakPolarHBondContact O-CA 3.26Å; V523-R615 HydrophobicContact CG1-CG 4.16Å; R615-G840 WeakPolarHBondContact O-CA 3.3Å; R615-E841 HydrophobicContact CB-CB 4.28Å; R615-E841 VanDerWaalsContact CB-CD 3.46Å; R615-E841 HydrophobicContact CB-CG 3.9Å; R615-E841 VanDerWaalsContact CB-OE2 3.32Å; R615-E841 WeakPolarHBondContact CB-OE2 3.11Å; R615-E841 WeakPolarHBondContact CD-OE2 3.2Å; R615-E841 PolarHBondContact O-N 3.23Å
616	V	96.1	Very high	85.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.6	-173	-66.8	0	0	0	0	112.5	Y522 R524 I555 E614 W838 I839	Y522-V616 WeakPolarHBondContact CB-O 3.34Å; Y522-V616 PolarHBondContact O-N 2.9Å; R524-V616 HydrophobicContact CB-CG1 3.92Å; R524-V616 HydrophobicContact CB-CG2 4.4Å; I555-V616 HydrophobicContact CD1-CG2 4.44Å; I555-V616 HydrophobicContact CG2-CG2 3.75Å; E614-V616 HydrophobicContact CB-CG1 4.5Å; E614-V616 HydrophobicContact CG-CG1 4.03Å; V616-W838 HydrophobicContact CB-CE3 4.21Å; V616-W838 HydrophobicContact CG2-CE3 3.75Å; V616-W838 HydrophobicContact CG2-CZ3 4.24Å; V616-I839 CarbonylContact C-O 3.54Å; V616-I839 WeakPolarHBondContact CA-O 3.24Å; V616-I839 WeakPolarHBondContact CB-O 3.24Å
617	V	95.2	Very high	88.5	Confident	19 Å²	19	40.9 Å²	40.9	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.9	168.9	-78.1	0	0	0	0	110.3	W838 I839 E841 K849 I850	V617-W838 WeakPolarHBondContact O-CA 2.97Å; V617-I839 HydrophobicContact CG2-CG2 4.07Å; V617-I839 PolarHBondContact N-O 3.47Å; V617-I839 PolarHBondContact O-N 3.48Å; V617-E841 HydrophobicContact CG1-CG 3.96Å; V617-E841 HydrophobicContact CG2-CG 4.48Å; V617-K849 HydrophobicContact CG2-CB 4.48Å; V617-I850 HydrophobicContact CG1-CG1 4.15Å
618	Q	95	Very high	90.6	Very high	82 Å²	82	37 Å²	37	38%	0.383	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.2	177.3	-160.8	172.4	25.4	0	0	110.1	P836 W838 K849	Q618-P836 HydrophobicContact CG-CB 3.91Å; Q618-W838 HydrophobicContact CB-CD2 4.06Å; Q618-W838 HydrophobicContact CB-CE3 3.92Å; Q618-W838 HydrophobicContact CB-CH2 3.96Å; Q618-W838 HydrophobicContact CB-CZ2 4.11Å; Q618-W838 HydrophobicContact CB-CZ3 3.87Å; Q618-W838 HydrophobicContact CG-CD2 4.18Å; Q618-W838 HydrophobicContact CG-CZ2 4.19Å; Q618-K849 WeakPolarHBondContact O-CE 3.07Å
619	L	94	Very high	92.2	Very high	15 Å²	15	34 Å²	34	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.1	165.8	-58.7	179.5	0	0	0	108.5	K621 F622 P836 V837 I839 F845 K849	L619-K621 PolarHBondContact O-N 2.76Å; L619-F622 HydrophobicContact CD1-CD2 4.1Å; L619-P836 CarbonylContact O-C 3.5Å; L619-P836 VanDerWaalsContact O-CA 3.22Å; L619-P836 WeakPolarHBondContact O-CA 3.37Å; L619-V837 PolarHBondContact N-O 2.93Å; L619-V837 PolarHBondContact O-N 3.27Å; L619-I839 HydrophobicContact CD1-CD1 4.45Å; L619-I839 HydrophobicContact CD1-CG2 3.94Å; L619-I839 HydrophobicContact CD2-CG2 4.45Å; L619-I839 HydrophobicContact CG-CG2 3.89Å; L619-F845 HydrophobicContact CD1-CB 3.86Å; L619-K849 HydrophobicContact CD2-CB 3.82Å; L619-K849 HydrophobicContact CD2-CD 4.29Å; L619-K849 HydrophobicContact CD2-CG 4.1Å
620	D	91.1	Very high	93.4	Very high	109 Å²	109	30 Å²	30	58%	0.583	15%	0.154	S	C	*	.	S	Bend	trans	-65.1	-33.4	-179.1	-44.4	-76.9	0	0	0	111.3	P836 K849	D620-P836 WeakPolarHBondContact O-CA 3.45Å; D620-K849 IonicContact OD1-NZ 2.77Å; D620-K849 IonicContact OD2-NZ 3.19Å; D620-K849 PolarHBondContact OD2-NZ 2.84Å
621	K	89.9	Confident	94	Very high	115 Å²	115	30.3 Å²	30.3	50%	0.5	15%	0.154	S	C	.	.	S	Bend	trans	-153.2	141.6	171.8	177.2	168.6	172.9	170.8	0	110	L619 N834	L619-K621 PolarHBondContact O-N 2.76Å; K621-N834 VanDerWaalsContact CE-OD1 3.23Å; K621-N834 WeakPolarHBondContact CE-OD1 3.49Å; K621-N834 PolarHBondContact NZ-OD1 2.95Å
622	F	93.5	Very high	94.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	15%	0.146	C	C	.	.			trans	-77.5	132.9	176.1	-164.2	-95.3	0	0	0	110.8	L619 F624 R626 M709 P733 Q833 V837 I839 F845	L619-F622 HydrophobicContact CD1-CD2 4.1Å; F622-F624 VanDerWaalsContact C-N 3.34Å; F622-F624 HydrophobicContact CD1-CB 4.49Å; F622-F624 WeakPolarHBondContact CD1-O 3.4Å; F622-F624 HydrophobicContact CE1-CB 4.21Å; F622-F624 PolarHBondContact O-N 2.77Å; F622-R626 HydrophobicContact CB-CG 3.95Å; F622-R626 HydrophobicContact CD1-CG 3.64Å; F622-R626 HydrophobicContact CE1-CG 4.42Å; F622-R626 HydrophobicContact CG-CG 3.92Å; F622-M709 HydrophobicContact CE1-CE 3.66Å; F622-M709 HydrophobicContact CZ-CE 4.29Å; F622-P733 HydrophobicContact CD2-CG 3.99Å; F622-P733 HydrophobicContact CE2-CG 3.97Å; F622-Q833 PolarHBondContact O-NE2 3.22Å; F622-V837 HydrophobicContact CB-CG2 4.21Å; F622-I839 HydrophobicContact CE2-CD1 4.04Å; F622-F845 AromaticContact CE2-CD2 3.97Å; F622-F845 HydrophobicContact CE2-CD2 3.97Å; F622-F845 HydrophobicContact CE2-CE2 4.18Å; F622-F845 HydrophobicContact CZ-CD2 4.12Å; F622-F845 AromaticContact CZ-CE2 3.85Å; F622-F845 HydrophobicContact CZ-CE2 3.85Å
623	P	91.6	Very high	93.9	Very high	76 Å²	76	28.9 Å²	28.9	49%	0.494	15%	0.146	S	C	.	.	S	Bend	trans	-73.4	-18.2	-165.5	24.9	-33.6	0	0	0	115.4	F845	P623-F845 HydrophobicContact CG-CD1 3.84Å; P623-F845 HydrophobicContact CG-CE1 3.54Å; P623-F845 HydrophobicContact CG-CG 4.46Å; P623-F845 HydrophobicContact CG-CZ 3.93Å
624	F	92.6	Very high	93.6	Very high	68 Å²	68	29.1 Å²	29.1	30%	0.298	15%	0.148	S	C	.	.	S	Bend	trans	-116.8	159.6	177.4	-62.6	-81.2	0	0	0	111.1	F622 R626 M709 K710 Q833 F845	F622-F624 VanDerWaalsContact C-N 3.34Å; F622-F624 HydrophobicContact CD1-CB 4.49Å; F622-F624 WeakPolarHBondContact CD1-O 3.4Å; F622-F624 HydrophobicContact CE1-CB 4.21Å; F622-F624 PolarHBondContact O-N 2.77Å; F624-R626 PolarHBondContact O-N 2.69Å; F624-R626 VanDerWaalsContact O-N 3.09Å; F624-M709 HydrophobicContact CB-CB 4.26Å; F624-M709 HydrophobicContact CB-CE 4.07Å; F624-K710 HydrophobicContact CE1-CG 4.18Å; F624-Q833 PolarHBondContact O-NE2 2.8Å; F624-F845 HydrophobicContact CD2-CZ 4.03Å; F624-F845 HydrophobicContact CE2-CE1 4.17Å; F624-F845 AromaticContact CE2-CZ 3.77Å; F624-F845 HydrophobicContact CE2-CZ 3.77Å
625	P	94.6	Very high	93.4	Very high	29 Å²	29	29.1 Å²	29.1	19%	0.188	15%	0.149	C	C	.	.			trans	-56.7	114.9	166.7	-28.7	39.9	0	0	0	110.9	M709	P625-M709 WeakPolarHBondContact O-CG 3.3Å
626	R	96.6	Very high	93.1	Very high	10 Å²	10	28.2 Å²	28.2	4%	0.038	15%	0.146	C	C	.	.			trans	-67.5	146.1	-177.6	-67.6	166.4	65.2	-169.1	-0.9	110.4	F622 F624 H714 P733 P734 I735 Q832	F622-R626 HydrophobicContact CB-CG 3.95Å; F622-R626 HydrophobicContact CD1-CG 3.64Å; F622-R626 HydrophobicContact CE1-CG 4.42Å; F622-R626 HydrophobicContact CG-CG 3.92Å; F624-R626 PolarHBondContact O-N 2.69Å; F624-R626 VanDerWaalsContact O-N 3.09Å; R626-H714 PolarHBondContact O-ND1 2.84Å; R626-P733 PolarHBondContact NE-O 2.58Å; R626-P733 PolarHBondContact NH2-O 3.15Å; R626-P734 PolarHBondContact NH2-O 2.79Å; R626-I735 HydrophobicContact CB-CD1 3.99Å; R626-I735 HydrophobicContact CB-CG1 3.91Å; R626-Q832 PolarHBondContact NH1-O 3.31Å
627	P	97.1	Very high	92.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.148	C	C	.	.			trans	-57.6	151	167.9	-22.4	34.8	0	0	0	111.1	I705 M709 C715 L717 I732 P734 I735	P627-I705 HydrophobicContact CG-CG2 3.72Å; P627-M709 HydrophobicContact CG-CG 4.4Å; P627-M709 HydrophobicContact CG-SD 3.76Å; P627-C715 CarbonylContact C-O 3.16Å; P627-C715 WeakPolarHBondContact CA-O 3.18Å; P627-C715 HydrophobicContact CB-CB 4.04Å; P627-C715 HydrophobicContact CG-CB 4.43Å; P627-L717 HydrophobicContact CB-CD1 3.63Å; P627-L717 HydrophobicContact CB-CG 4.06Å; P627-L717 HydrophobicContact CG-CD1 4.45Å; P627-I732 HydrophobicContact CG-CG2 3.71Å; P627-P734 HydrophobicContact CB-CB 4.27Å; P627-P734 CarbonylContact O-C 3.53Å; P627-P734 VanDerWaalsContact O-CA 3.27Å; P627-P734 WeakPolarHBondContact O-CA 3.33Å; P627-I735 PolarHBondContact O-N 2.94Å
628	V	97.2	Very high	92.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.6	-177.6	-179.1	0	0	0	0	109.1	I630 F663 H714 C715 L716 L717 I735 I829	V628-I630 HydrophobicContact CG1-CD1 4.45Å; V628-I630 HydrophobicContact CG1-CG1 4.03Å; V628-F663 HydrophobicContact CG2-CE1 4.48Å; V628-H714 HydrophobicContact CG2-CB 4.04Å; V628-C715 PolarHBondContact N-O 3.07Å; V628-L716 HydrophobicContact CB-CD2 4.26Å; V628-L716 HydrophobicContact CG1-CD2 4.4Å; V628-L717 PolarHBondContact O-N 3.1Å; V628-I735 CarbonylContact C-O 3.41Å; V628-I735 VanDerWaalsContact CA-O 3.3Å; V628-I735 WeakPolarHBondContact CA-O 3.31Å; V628-I735 HydrophobicContact CG2-CB 4.28Å; V628-I735 HydrophobicContact CG2-CD1 4.4Å; V628-I829 HydrophobicContact CG1-CD1 4.09Å; V628-I829 HydrophobicContact CG1-CG1 4.27Å; V628-I829 HydrophobicContact CG2-CG2 4.14Å
629	V	96.1	Very high	92.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.6	170.5	-173.1	0	0	0	0	108.4	F631 L717 I719 I724 P734 I735 V736 I737	V629-F631 HydrophobicContact CG1-CD1 4.47Å; V629-F631 HydrophobicContact CG1-CD2 4.38Å; V629-F631 HydrophobicContact CG1-CE1 3.98Å; V629-F631 HydrophobicContact CG1-CE2 3.9Å; V629-F631 HydrophobicContact CG1-CZ 3.68Å; V629-L717 HydrophobicContact CG2-CB 4.06Å; V629-I719 HydrophobicContact CG1-CG1 4.4Å; V629-I719 HydrophobicContact CG2-CD1 3.94Å; V629-I719 HydrophobicContact CG2-CG1 3.7Å; V629-I724 HydrophobicContact CB-CD1 4.35Å; V629-I724 HydrophobicContact CG1-CD1 4.18Å; V629-I724 HydrophobicContact CG2-CD1 4.17Å; V629-I724 HydrophobicContact CG2-CG1 4.1Å; V629-P734 HydrophobicContact CG2-CB 4.33Å; V629-I735 PolarHBondContact N-O 3.27Å; V629-V736 HydrophobicContact CB-CG1 4.39Å; V629-V736 HydrophobicContact CB-CG2 4.32Å; V629-V736 WeakPolarHBondContact O-CA 3.2Å; V629-I737 PolarHBondContact O-N 2.83Å
630	I	95.1	Very high	92.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.1	179.7	-52.4	177.9	0	0	0	109	V628 C635 A638 R639 L642 L716 I737 I739 L825	V628-I630 HydrophobicContact CG1-CD1 4.45Å; V628-I630 HydrophobicContact CG1-CG1 4.03Å; I630-C635 HydrophobicContact CB-CB 4.35Å; I630-C635 HydrophobicContact CG2-CB 3.96Å; I630-C635 VanDerWaalsContact O-CB 3.31Å; I630-C635 WeakPolarHBondContact O-CB 3.47Å; I630-A638 HydrophobicContact CD1-CB 3.86Å; I630-A638 HydrophobicContact CG2-CB 4.32Å; I630-R639 HydrophobicContact CD1-CG 4.41Å; I630-L642 HydrophobicContact CD1-CD1 3.85Å; I630-L716 HydrophobicContact CD1-CD2 4.48Å; I630-I737 WeakPolarHBondContact CA-O 3.44Å; I630-I739 HydrophobicContact CG2-CD1 3.66Å; I630-I739 HydrophobicContact CG2-CG1 3.97Å; I630-L825 HydrophobicContact CD1-CD2 4.21Å
631	F	93	Very high	92.1	Very high	18 Å²	18	25.1 Å²	25.1	8%	0.079	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	166	176.1	-67.9	-54.5	0	0	0	112	V629 I719 I724 V736 I737 L738 I739 L792 I1053	V629-F631 HydrophobicContact CG1-CD1 4.47Å; V629-F631 HydrophobicContact CG1-CD2 4.38Å; V629-F631 HydrophobicContact CG1-CE1 3.98Å; V629-F631 HydrophobicContact CG1-CE2 3.9Å; V629-F631 HydrophobicContact CG1-CZ 3.68Å; F631-I719 WeakPolarHBondContact CZ-O 3.22Å; F631-I724 HydrophobicContact CE2-CD1 3.63Å; F631-I724 HydrophobicContact CZ-CD1 3.68Å; F631-V736 HydrophobicContact CD2-CG1 3.71Å; F631-V736 HydrophobicContact CE2-CG1 3.57Å; F631-I737 PolarHBondContact N-O 3.09Å; F631-L738 HydrophobicContact CB-CD1 4.04Å; F631-I739 PolarHBondContact O-N 2.86Å; F631-L792 HydrophobicContact CB-CD1 3.67Å; F631-L792 HydrophobicContact CD1-CD1 4.32Å; F631-L792 HydrophobicContact CD2-CD1 4.41Å; F631-L792 HydrophobicContact CG-CD1 3.91Å; F631-I1053 HydrophobicContact CD1-CD1 4.23Å; F631-I1053 HydrophobicContact CE1-CD1 3.41Å; F631-I1053 VanDerWaalsContact CE1-CD1 3.41Å; F631-I1053 HydrophobicContact CZ-CD1 3.74Å
632	G	90	Very high	92.2	Very high	7 Å²	7	19.6 Å²	19.6	7%	0.072	10%	0.099	C	C	.	.	S	Bend	trans	88.1	-172.6	177.6	0	0	0	0	0	114.1	C635	G632-C635 WeakPolarHBondContact O-CB 3.26Å; G632-C635 PolarHBondContact O-N 2.87Å; G632-C635 PolarHBondContact O-SG 3.41Å
633	P	88.8	Confident	91.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	153.4	178.5	-20.9	32.9	0	0	0	111.9	C635 I739 P741 L747 L785 V789	P633-C635 PolarHBondContact O-N 2.81Å; P633-C635 VanDerWaalsContact O-N 3.09Å; P633-I739 WeakPolarHBondContact CD-O 3.43Å; P633-I739 WeakPolarHBondContact O-CB 3.33Å; P633-I739 VanDerWaalsContact O-CD1 3.27Å; P633-I739 WeakPolarHBondContact O-CD1 3.33Å; P633-I739 VanDerWaalsContact O-CG2 3.3Å; P633-I739 WeakPolarHBondContact O-CG2 3.38Å; P633-P741 HydrophobicContact CG-CG 4.08Å; P633-L747 HydrophobicContact CB-CD1 3.61Å; P633-L747 HydrophobicContact CG-CD1 3.56Å; P633-L747 HydrophobicContact CG-CD2 4.15Å; P633-L785 HydrophobicContact CG-CB 4.4Å; P633-V789 HydrophobicContact CG-CG2 4.26Å
634	L	88.9	Confident	91.6	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	3.9	-178	-46.5	-173.4	0	0	0	116.2	E636 L637 A638 I739 L750 Y754 A763 L806 F816 W821	L634-E636 VanDerWaalsContact C-N 3.34Å; L634-E636 PolarHBondContact O-N 3.04Å; L634-L637 HydrophobicContact CB-CB 4.47Å; L634-L637 CarbonylContact O-C 3.44Å; L634-L637 WeakPolarHBondContact O-CA 3.1Å; L634-L637 WeakPolarHBondContact O-CB 3.44Å; L634-L637 PolarHBondContact O-N 2.92Å; L634-A638 PolarHBondContact O-N 3.44Å; L634-I739 HydrophobicContact CB-CD1 4.35Å; L634-L750 HydrophobicContact CD1-CD2 4.1Å; L634-L750 HydrophobicContact CG-CD2 4.38Å; L634-Y754 HydrophobicContact CD1-CE2 4.31Å; L634-Y754 HydrophobicContact CD2-CD2 4.14Å; L634-Y754 HydrophobicContact CD2-CE2 3.8Å; L634-A763 HydrophobicContact CD2-CB 3.44Å; L634-A763 VanDerWaalsContact CD2-CB 3.44Å; L634-L806 HydrophobicContact CD1-CD2 4.02Å; L634-F816 HydrophobicContact CD1-CE1 4.19Å; L634-F816 HydrophobicContact CD1-CZ 4.06Å; L634-W821 HydrophobicContact CB-CH2 4.23Å; L634-W821 HydrophobicContact CD1-CH2 4.35Å; L634-W821 HydrophobicContact CD1-CZ2 4.01Å
635	C	91	Very high	90.9	Very high	15 Å²	15	23.5 Å²	23.5	10%	0.101	12%	0.116	C	C	.	.	H	α-helix	trans	-52.9	-43.9	-177.5	55.1	0	0	0	0	114.1	I630 G632 P633 A638 R639	I630-C635 HydrophobicContact CB-CB 4.35Å; I630-C635 HydrophobicContact CG2-CB 3.96Å; I630-C635 VanDerWaalsContact O-CB 3.31Å; I630-C635 WeakPolarHBondContact O-CB 3.47Å; G632-C635 WeakPolarHBondContact O-CB 3.26Å; G632-C635 PolarHBondContact O-N 2.87Å; G632-C635 PolarHBondContact O-SG 3.41Å; P633-C635 PolarHBondContact O-N 2.81Å; P633-C635 VanDerWaalsContact O-N 3.09Å; C635-A638 WeakPolarHBondContact O-CB 3.09Å; C635-A638 PolarHBondContact O-N 2.79Å; C635-R639 WeakPolarHBondContact O-CG 3.28Å; C635-R639 PolarHBondContact O-N 3.1Å
636	E	86.9	Confident	89.8	Confident	20 Å²	20	24 Å²	24	9%	0.093	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-36.3	177	-175.9	63.9	-174.2	0	0	112.4	L634 R639 Q640 K695 F765	L634-E636 VanDerWaalsContact C-N 3.34Å; L634-E636 PolarHBondContact O-N 3.04Å; E636-R639 IonicContact OE2-CZ 3.79Å; E636-R639 VanDerWaalsContact OE2-CZ 3.3Å; E636-R639 IonicContact OE2-NE 2.73Å; E636-R639 PolarHBondContact OE2-NE 3.43Å; E636-R639 IonicContact OE2-NH2 2.8Å; E636-R639 PolarHBondContact OE2-NH2 2.74Å; E636-Q640 VanDerWaalsContact O-CG 3.31Å; E636-Q640 WeakPolarHBondContact O-CG 3.37Å; E636-Q640 PolarHBondContact O-N 3.27Å; E636-Q640 VanDerWaalsContact O-N 3.12Å; E636-Q640 PolarHBondContact OE1-NE2 3.47Å; E636-K695 VanDerWaalsContact CD-NZ 3.33Å; E636-K695 IonicContact OE1-NZ 3.56Å; E636-K695 PolarHBondContact OE1-NZ 2.86Å; E636-K695 IonicContact OE2-NZ 3.52Å; E636-K695 PolarHBondContact OE2-NZ 3.3Å; E636-F765 HydrophobicContact CB-CD1 4.25Å; E636-F765 HydrophobicContact CG-CD1 4.41Å
637	L	90.1	Very high	88.2	Confident	5 Å²	5	28 Å²	28	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-43.1	171.5	179.7	66	0	0	0	110.8	L634 R639 Q640 R641 Y754 A763 W821	L634-L637 HydrophobicContact CB-CB 4.47Å; L634-L637 CarbonylContact O-C 3.44Å; L634-L637 WeakPolarHBondContact O-CA 3.1Å; L634-L637 WeakPolarHBondContact O-CB 3.44Å; L634-L637 PolarHBondContact O-N 2.92Å; L637-R639 PolarHBondContact O-N 3.39Å; L637-Q640 PolarHBondContact O-N 3.01Å; L637-R641 HydrophobicContact CD1-CG 3.95Å; L637-R641 HydrophobicContact CG-CG 4.16Å; L637-R641 WeakPolarHBondContact O-CB 3.25Å; L637-R641 VanDerWaalsContact O-CG 3.25Å; L637-R641 WeakPolarHBondContact O-CG 3.38Å; L637-R641 PolarHBondContact O-N 3.43Å; L637-Y754 HydrophobicContact CD2-CE1 4.02Å; L637-Y754 WeakPolarHBondContact CD2-OH 3.43Å; L637-A763 HydrophobicContact CD2-CB 4.12Å; L637-W821 HydrophobicContact CD2-CZ2 3.97Å; L637-W821 HydrophobicContact CG-CZ2 4.31Å
638	A	91.7	Very high	86.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-49.5	178	0	0	0	0	0	111.2	I630 L634 C635 Q640 R641 L642 I739 W821 L825	I630-A638 HydrophobicContact CD1-CB 3.86Å; I630-A638 HydrophobicContact CG2-CB 4.32Å; L634-A638 PolarHBondContact O-N 3.44Å; C635-A638 WeakPolarHBondContact O-CB 3.09Å; C635-A638 PolarHBondContact O-N 2.79Å; A638-Q640 PolarHBondContact O-N 2.86Å; A638-R641 PolarHBondContact O-N 3.33Å; A638-L642 WeakPolarHBondContact O-CB 3.09Å; A638-L642 VanDerWaalsContact O-CG 3.29Å; A638-L642 WeakPolarHBondContact O-CG 3.49Å; A638-L642 PolarHBondContact O-N 3.23Å; A638-I739 HydrophobicContact CB-CD1 4.15Å; A638-W821 HydrophobicContact CB-CH2 3.75Å; A638-W821 HydrophobicContact CB-CZ3 3.84Å; A638-L825 HydrophobicContact CB-CD2 3.78Å
639	R	91.3	Very high	84.4	Confident	6 Å²	6	39.8 Å²	39.8	2%	0.023	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-48.9	176.2	-71.6	-175.8	-71	-126.4	17.7	112	I630 C635 E636 L637 R641 L642 T643 L716 D718	I630-R639 HydrophobicContact CD1-CG 4.41Å; C635-R639 WeakPolarHBondContact O-CG 3.28Å; C635-R639 PolarHBondContact O-N 3.1Å; E636-R639 IonicContact OE2-CZ 3.79Å; E636-R639 VanDerWaalsContact OE2-CZ 3.3Å; E636-R639 IonicContact OE2-NE 2.73Å; E636-R639 PolarHBondContact OE2-NE 3.43Å; E636-R639 IonicContact OE2-NH2 2.8Å; E636-R639 PolarHBondContact OE2-NH2 2.74Å; L637-R639 PolarHBondContact O-N 3.39Å; R639-R641 PolarHBondContact O-N 2.89Å; R639-L642 PolarHBondContact O-N 3.28Å; R639-T643 PolarHBondContact O-N 3.1Å; R639-T643 VanDerWaalsContact O-N 3.1Å; R639-T643 PolarHBondContact O-OG1 2.81Å; R639-L716 HydrophobicContact CB-CD1 4.46Å; R639-L716 WeakPolarHBondContact O-CD1 3.43Å; R639-D718 IonicContact CZ-OD1 3.68Å; R639-D718 VanDerWaalsContact CZ-OD1 3.28Å; R639-D718 IonicContact CZ-OD2 3.15Å; R639-D718 IonicContact NH1-OD1 3.69Å; R639-D718 PolarHBondContact NH1-OD1 3.48Å; R639-D718 IonicContact NH1-OD2 2.7Å; R639-D718 IonicContact NH2-OD1 2.77Å; R639-D718 PolarHBondContact NH2-OD1 2.78Å; R639-D718 VanDerWaalsContact NH2-OD1 3.16Å; R639-D718 IonicContact NH2-OD2 3.48Å; R639-D718 PolarHBondContact NH2-OD2 3.08Å
640	Q	89.3	Confident	82.2	Confident	65 Å²	65	44.7 Å²	44.7	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-44	178.7	-71.3	174.4	4.4	0	0	112.6	E636 L637 A638 T643 Q644 S762	E636-Q640 VanDerWaalsContact O-CG 3.31Å; E636-Q640 WeakPolarHBondContact O-CG 3.37Å; E636-Q640 PolarHBondContact O-N 3.27Å; E636-Q640 VanDerWaalsContact O-N 3.12Å; E636-Q640 PolarHBondContact OE1-NE2 3.47Å; L637-Q640 PolarHBondContact O-N 3.01Å; A638-Q640 PolarHBondContact O-N 2.86Å; Q640-T643 PolarHBondContact O-N 2.9Å; Q640-Q644 VanDerWaalsContact O-CG 3.27Å; Q640-Q644 WeakPolarHBondContact O-CG 3.28Å; Q640-Q644 PolarHBondContact O-N 2.87Å; Q640-S762 PolarHBondContact NE2-OG 3.44Å; Q640-S762 PolarHBondContact OE1-OG 3.35Å
641	R	89.4	Confident	79.6	Confident	83 Å²	83	51 Å²	51	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-42.7	-179.8	-69.5	-61.5	-162.8	-153.7	5.8	112.4	L637 A638 R639 T643 Q644 M645 E818 L822	L637-R641 HydrophobicContact CD1-CG 3.95Å; L637-R641 HydrophobicContact CG-CG 4.16Å; L637-R641 WeakPolarHBondContact O-CB 3.25Å; L637-R641 VanDerWaalsContact O-CG 3.25Å; L637-R641 WeakPolarHBondContact O-CG 3.38Å; L637-R641 PolarHBondContact O-N 3.43Å; A638-R641 PolarHBondContact O-N 3.33Å; R639-R641 PolarHBondContact O-N 2.89Å; R641-T643 PolarHBondContact O-N 2.8Å; R641-Q644 PolarHBondContact O-N 3.14Å; R641-M645 VanDerWaalsContact O-CG 3.3Å; R641-M645 WeakPolarHBondContact O-CG 3.49Å; R641-M645 PolarHBondContact O-N 3.43Å; R641-E818 IonicContact CZ-OE2 2.67Å; R641-E818 IonicContact NE-OE2 3.71Å; R641-E818 PolarHBondContact NE-OE2 3.34Å; R641-E818 IonicContact NH2-OE2 3.63Å; R641-E818 PolarHBondContact NH2-OE2 3.44Å; R641-L822 HydrophobicContact CB-CD1 3.82Å; R641-L822 HydrophobicContact CB-CD2 3.66Å; R641-L822 HydrophobicContact CB-CG 4.43Å; R641-L822 HydrophobicContact CG-CD1 3.89Å; R641-L822 HydrophobicContact CG-CD2 4.24Å
642	L	91	Very high	77	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-42.5	176	-69.8	175.9	0	0	0	111.7	I630 A638 R639 Q644 M645 S646 F663 L716 L825 I829	I630-L642 HydrophobicContact CD1-CD1 3.85Å; A638-L642 WeakPolarHBondContact O-CB 3.09Å; A638-L642 VanDerWaalsContact O-CG 3.29Å; A638-L642 WeakPolarHBondContact O-CG 3.49Å; A638-L642 PolarHBondContact O-N 3.23Å; R639-L642 PolarHBondContact O-N 3.28Å; L642-Q644 PolarHBondContact O-N 3.17Å; L642-M645 PolarHBondContact O-N 3.09Å; L642-S646 PolarHBondContact O-N 3.12Å; L642-S646 PolarHBondContact O-OG 2.89Å; L642-F663 HydrophobicContact CB-CB 4.33Å; L642-F663 HydrophobicContact CB-CD1 4.39Å; L642-F663 HydrophobicContact CB-CD2 3.86Å; L642-F663 HydrophobicContact CB-CE2 4.28Å; L642-F663 HydrophobicContact CB-CG 3.93Å; L642-F663 HydrophobicContact CD1-CD1 4.45Å; L642-F663 HydrophobicContact CD1-CE1 4.27Å; L642-F663 HydrophobicContact CD1-CZ 4.39Å; L642-F663 HydrophobicContact CD2-CD2 4.21Å; L642-F663 HydrophobicContact CD2-CE2 3.76Å; L642-F663 HydrophobicContact CD2-CZ 4.01Å; L642-F663 HydrophobicContact CG-CE2 4.46Å; L642-L716 HydrophobicContact CB-CD1 4.07Å; L642-L716 HydrophobicContact CB-CD2 4.5Å; L642-L716 HydrophobicContact CD1-CD2 3.88Å; L642-L825 HydrophobicContact CD1-CD2 3.96Å; L642-L825 HydrophobicContact CD1-CG 4.46Å; L642-L825 HydrophobicContact CD2-CD2 4.48Å; L642-L825 HydrophobicContact CG-CD2 4.35Å; L642-I829 HydrophobicContact CD1-CD1 3.83Å
643	T	88.3	Confident	74.6	Confident	44 Å²	44	65.4 Å²	65.4	27%	0.27	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-39.6	173.9	-51.5	0	0	0	0	112.5	R639 Q640 R641 S647 L716	R639-T643 PolarHBondContact O-N 3.1Å; R639-T643 VanDerWaalsContact O-N 3.1Å; R639-T643 PolarHBondContact O-OG1 2.81Å; Q640-T643 PolarHBondContact O-N 2.9Å; R641-T643 PolarHBondContact O-N 2.8Å; T643-S647 PolarHBondContact O-OG 3.42Å; T643-L716 WeakPolarHBondContact OG1-CD1 3.26Å
644	Q	85.3	Confident	71.9	Confident	98 Å²	98	72.9 Å²	72.9	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-43	175.9	-74.6	168.2	5.7	0	0	112.1	Q640 R641 L642 S646 S647	Q640-Q644 VanDerWaalsContact O-CG 3.27Å; Q640-Q644 WeakPolarHBondContact O-CG 3.28Å; Q640-Q644 PolarHBondContact O-N 2.87Å; R641-Q644 PolarHBondContact O-N 3.14Å; L642-Q644 PolarHBondContact O-N 3.17Å; Q644-S646 VanDerWaalsContact C-N 3.33Å; Q644-S646 PolarHBondContact O-N 3.22Å; Q644-S647 WeakPolarHBondContact O-CB 3.49Å; Q644-S647 PolarHBondContact O-N 2.98Å
645	M	77.1	Confident	69.6	Low	86 Å²	86	82.1 Å²	82.1	42%	0.424	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-39.3	-179.9	-73.1	171.6	69.6	0	0	112.3	R641 L642 S647 I648	R641-M645 VanDerWaalsContact O-CG 3.3Å; R641-M645 WeakPolarHBondContact O-CG 3.49Å; R641-M645 PolarHBondContact O-N 3.43Å; L642-M645 PolarHBondContact O-N 3.09Å; M645-S647 PolarHBondContact O-N 2.89Å; M645-I648 PolarHBondContact O-N 3.47Å
646	S	71.8	Confident	67	Low	38 Å²	38	87.7 Å²	87.7	27%	0.266	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10	176.5	-58	0	0	0	0	114.8	L642 Q644 I661 K662 F663	L642-S646 PolarHBondContact O-N 3.12Å; L642-S646 PolarHBondContact O-OG 2.89Å; Q644-S646 VanDerWaalsContact C-N 3.33Å; Q644-S646 PolarHBondContact O-N 3.22Å; S646-I661 PolarHBondContact OG-O 2.74Å; S646-I661 VanDerWaalsContact OG-O 3.09Å; S646-K662 WeakPolarHBondContact OG-CA 3.27Å; S646-F663 WeakPolarHBondContact OG-CD2 3.3Å; S646-F663 PolarHBondContact OG-N 2.69Å
647	S	62.5	Low	64.9	Low	95 Å²	95	93 Å²	93	66%	0.664	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.8	175.3	-56.5	0	0	0	0	113.1	T643 Q644 M645 I649	T643-S647 PolarHBondContact O-OG 3.42Å; Q644-S647 WeakPolarHBondContact O-CB 3.49Å; Q644-S647 PolarHBondContact O-N 2.98Å; M645-S647 PolarHBondContact O-N 2.89Å; S647-I649 PolarHBondContact O-N 3.21Å
648	I	61.7	Low	63.3	Low	124 Å²	124	98.9 Å²	98.9	64%	0.636	51%	0.511	S	S	*	.			trans	-84.9	108.1	-178.3	-55.7	176.4	0	0	0	109.1	M645	M645-I648 PolarHBondContact O-N 3.47Å
649	I	52.6	Low	61.9	Low	125 Å²	125	106.5 Å²	106.5	64%	0.641	55%	0.547	S	S	*	.			trans	-63.5	127.7	171.2	-57.3	173.2	0	0	0	108.4	S647 N651	S647-I649 PolarHBondContact O-N 3.21Å; I649-N651 PolarHBondContact O-N 2.9Å
650	P	50.4	Low	60.7	Low	102 Å²	102	109.9 Å²	109.9	66%	0.662	57%	0.57	S	S	*	*			trans	-72.2	76.9	177.3	29.8	-34.9	0	0	0	111.2	K652	P650-K652 PolarHBondContact O-N 2.58Å
651	N	41.1	Very low	60.2	Low	133 Å²	133	109.1 Å²	109.1	71%	0.711	57%	0.567	S	S	*	*			trans	-77.1	102.8	175.2	-81.3	-23.2	0	0	0	110.4	I649	I649-N651 PolarHBondContact O-N 2.9Å
652	K	37.6	Very low	60.2	Low	194 Å²	194	108.9 Å²	108.9	84%	0.843	57%	0.568	S	S	*	*			trans	51.1	81.1	166.7	-71.9	-172.7	168.8	-170.9	0	116.1	P650	P650-K652 PolarHBondContact O-N 2.58Å
653	L	39.7	Very low	60.2	Low	134 Å²	134	109.4 Å²	109.4	70%	0.702	57%	0.571	S	S	*	*			trans	-120.6	122.2	144.4	-92.6	87.3	0	0	0	108.9	Y655	L653-Y655 PolarHBondContact O-N 3.38Å
654	D	33.4	Very low	60.4	Low	157 Å²	157	109.7 Å²	109.7	84%	0.84	57%	0.57	S	S	*	*			trans	-78.4	63.8	178.9	-72.5	-45.7	0	0	0	111.9
655	Y	39.6	Very low	60.6	Low	200 Å²	200	108.7 Å²	108.7	78%	0.784	57%	0.567	S	S	*	*	S	Bend	trans	-143.4	147.7	162.2	-72.2	-71.7	0	0	0	109.8	L653 I657	L653-Y655 PolarHBondContact O-N 3.38Å; Y655-I657 PolarHBondContact O-N 3.32Å
656	S	36	Very low	61.1	Low	133 Å²	133	104.7 Å²	104.7	93%	0.93	55%	0.548	S	S	*	.			trans	-71	61.3	-172.4	-45.3	0	0	0	0	113.6
657	I	43.2	Very low	61.5	Low	131 Å²	131	107 Å²	107	67%	0.672	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-76	128.7	-179.8	-59.3	167.8	0	0	0	108.8	Y655	Y655-I657 PolarHBondContact O-N 3.32Å
658	E	56.2	Low	62	Low	128 Å²	128	106.3 Å²	106.3	60%	0.598	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-51.5	152.9	172.8	-62.2	176.7	163.1	0	0	111.4	R830	E658-R830 IonicContact OE1-NH1 3.63Å; E658-R830 IonicContact OE2-CZ 3.94Å; E658-R830 IonicContact OE2-NH1 3.36Å; E658-R830 PolarHBondContact OE2-NH1 2.58Å
659	E	61.8	Low	61.8	Low	161 Å²	161	101.8 Å²	101.8	75%	0.752	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-52.7	131.5	-178.3	-73.6	-161.1	-179.2	0	0	111.9	I661 K662	E659-I661 PolarHBondContact O-N 3.36Å; E659-K662 IonicContact OE2-NZ 2.76Å
660	P	66.3	Low	61.7	Low	76 Å²	76	101 Å²	101	49%	0.494	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-64.9	136.6	-174.7	25.8	-34.5	0	0	0	111.2	K662	P660-K662 PolarHBondContact O-N 3.21Å
661	I	79.4	Confident	61.1	Low	49 Å²	49	99.6 Å²	99.6	25%	0.251	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-63.9	125.2	-178.8	-51.3	177.6	0	0	0	110	S646 E659 F663 H714 R830	S646-I661 PolarHBondContact OG-O 2.74Å; S646-I661 VanDerWaalsContact OG-O 3.09Å; E659-I661 PolarHBondContact O-N 3.36Å; I661-F663 HydrophobicContact CB-CE2 3.96Å; I661-F663 HydrophobicContact CB-CZ 4.19Å; I661-F663 HydrophobicContact CG2-CD2 4.39Å; I661-F663 HydrophobicContact CG2-CE1 4.08Å; I661-F663 HydrophobicContact CG2-CE2 3.6Å; I661-F663 HydrophobicContact CG2-CZ 3.42Å; I661-F663 VanDerWaalsContact CG2-CZ 3.42Å; I661-H714 WeakPolarHBondContact CG2-CD2 3.32Å; I661-R830 HydrophobicContact CD1-CB 3.78Å; I661-R830 HydrophobicContact CD1-CG 4.07Å
662	K	89.1	Confident	60.7	Low	78 Å²	78	101.1 Å²	101.1	34%	0.339	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-101.2	125.6	-176.3	-62.8	169.1	-169	151.1	0	110.5	S646 E659 P660 Y713 H714	S646-K662 WeakPolarHBondContact OG-CA 3.27Å; E659-K662 IonicContact OE2-NZ 2.76Å; P660-K662 PolarHBondContact O-N 3.21Å; K662-Y713 HydrophobicContact CB-CD1 3.62Å; K662-Y713 HydrophobicContact CB-CE1 3.88Å; K662-Y713 HydrophobicContact CB-CG 4.3Å; K662-Y713 HydrophobicContact CD-CE1 4.43Å; K662-Y713 WeakPolarHBondContact O-CA 3.48Å; K662-H714 PolarHBondContact O-N 2.92Å
663	F	92.2	Very high	60.4	Low	11 Å²	11	97.7 Å²	97.7	5%	0.048	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.1	179.6	-63.7	-77.8	0	0	0	110.9	V628 L642 S646 I661 H714 L716 I829	V628-F663 HydrophobicContact CG2-CE1 4.48Å; L642-F663 HydrophobicContact CB-CB 4.33Å; L642-F663 HydrophobicContact CB-CD1 4.39Å; L642-F663 HydrophobicContact CB-CD2 3.86Å; L642-F663 HydrophobicContact CB-CE2 4.28Å; L642-F663 HydrophobicContact CB-CG 3.93Å; L642-F663 HydrophobicContact CD1-CD1 4.45Å; L642-F663 HydrophobicContact CD1-CE1 4.27Å; L642-F663 HydrophobicContact CD1-CZ 4.39Å; L642-F663 HydrophobicContact CD2-CD2 4.21Å; L642-F663 HydrophobicContact CD2-CE2 3.76Å; L642-F663 HydrophobicContact CD2-CZ 4.01Å; L642-F663 HydrophobicContact CG-CE2 4.46Å; S646-F663 WeakPolarHBondContact OG-CD2 3.3Å; S646-F663 PolarHBondContact OG-N 2.69Å; I661-F663 HydrophobicContact CB-CE2 3.96Å; I661-F663 HydrophobicContact CB-CZ 4.19Å; I661-F663 HydrophobicContact CG2-CD2 4.39Å; I661-F663 HydrophobicContact CG2-CE1 4.08Å; I661-F663 HydrophobicContact CG2-CE2 3.6Å; I661-F663 HydrophobicContact CG2-CZ 3.42Å; I661-F663 VanDerWaalsContact CG2-CZ 3.42Å; F663-H714 WeakPolarHBondContact CA-O 3.4Å; F663-H714 HydrophobicContact CD1-CB 3.59Å; F663-H714 HydrophobicContact CE1-CB 3.79Å; F663-L716 HydrophobicContact CB-CD1 3.85Å; F663-L716 HydrophobicContact CB-CG 4.14Å; F663-L716 HydrophobicContact CD1-CD2 3.9Å; F663-L716 HydrophobicContact CD1-CG 4.15Å; F663-L716 HydrophobicContact CG-CD1 4.47Å; F663-I829 HydrophobicContact CE1-CD1 3.85Å; F663-I829 HydrophobicContact CE1-CG2 4.04Å; F663-I829 HydrophobicContact CZ-CD1 3.86Å; F663-I829 HydrophobicContact CZ-CG2 4.08Å
664	I	91.5	Very high	60	Low	51 Å²	51	96.2 Å²	96.2	26%	0.262	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.9	174.9	-161.6	169.1	0	0	0	110.6	C708 Y713 H714 C715 L716	I664-C708 HydrophobicContact CG2-CB 3.72Å; I664-Y713 HydrophobicContact CB-CD1 3.94Å; I664-Y713 HydrophobicContact CB-CG 4.15Å; I664-Y713 VanDerWaalsContact CG2-CB 3.45Å; I664-Y713 HydrophobicContact CG2-CD1 4.31Å; I664-Y713 HydrophobicContact CG2-CG 4Å; I664-H714 PolarHBondContact N-O 2.85Å; I664-C715 CarbonylContact O-C 3.52Å; I664-C715 WeakPolarHBondContact O-CA 3.42Å; I664-L716 PolarHBondContact O-N 3.03Å
665	I	89.4	Confident	59.7	Low	77 Å²	77	96 Å²	96	40%	0.395	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-91	122.2	167	-61.3	171.5	0	0	0	106.6	L716	I665-L716 HydrophobicContact CG1-CB 4.01Å; I665-L716 HydrophobicContact CG1-CD1 4.36Å
666	P	87	Confident	59.2	Low	2 Å²	2	93.3 Å²	93.3	1%	0.013	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-67.8	153.7	-178.6	29	-35.4	0	0	0	111.6	I668 I700 A704 L717	P666-I668 PolarHBondContact O-N 3.03Å; P666-I700 HydrophobicContact CB-CG2 4.18Å; P666-I700 HydrophobicContact CG-CD1 4.31Å; P666-I700 HydrophobicContact CG-CG2 3.73Å; P666-A704 HydrophobicContact CB-CB 4.4Å; P666-L717 HydrophobicContact CG-CD2 3.6Å
667	P	81.5	Confident	59.2	Low	87 Å²	87	94.8 Å²	94.8	57%	0.565	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-61.6	131.4	178.8	24.9	-35	0	0	0	112	A704	P667-A704 HydrophobicContact CG-CB 3.91Å
668	I	72.6	Confident	58.8	Low	79 Å²	79	94.6 Å²	94.6	41%	0.405	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128	-179.3	-67.8	176.3	0	0	0	109.3	P666 G698 I700	P666-I668 PolarHBondContact O-N 3.03Å; I668-G698 VanDerWaalsContact CG2-C 3.49Å; I668-G698 VanDerWaalsContact CG2-CA 3.42Å; I668-I700 HydrophobicContact CG1-CG1 4.24Å
669	S	58.1	Low	57.5	Low	29 Å²	29	95.9 Å²	95.9	20%	0.203	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.4	177.9	-63.1	0	0	0	0	111.3	S671 L699 R701	S669-S671 PolarHBondContact O-N 2.95Å; S669-L699 PolarHBondContact N-O 2.72Å; S669-R701 PolarHBondContact OG-NE 2.8Å
670	S	49.3	Very low	56.2	Low	109 Å²	109	93.8 Å²	93.8	76%	0.762	54%	0.537	S	S	*	.			trans	-86.2	74.7	175.8	58.7	0	0	0	0	111.7
671	S	37.3	Very low	54.5	Low	72 Å²	72	97.3 Å²	97.3	50%	0.503	55%	0.552	S	S	.	*			trans	-143.5	51	-178.4	70.5	0	0	0	0	114.4	S669	S669-S671 PolarHBondContact O-N 2.95Å
672	F	34.3	Very low	52.3	Low	166 Å²	166	102.4 Å²	102.4	73%	0.728	58%	0.58	S	S	*	*			trans	-139.4	63.4	160.5	-87.2	-82.8	0	0	0	110.2	S674 L699	F672-S674 PolarHBondContact O-N 3.42Å; F672-L699 HydrophobicContact CD2-CD1 4.44Å; F672-L699 HydrophobicContact CE2-CD1 4.14Å
673	T	30.4	Very low	49.3	Very low	121 Å²	121	102.3 Å²	102.3	74%	0.742	60%	0.601	S	S	*	*			trans	-76.1	115.7	155	47	0	0	0	0	107.5	N675	T673-N675 PolarHBondContact O-N 3.46Å; T673-N675 VanDerWaalsContact O-N 3.11Å
674	S	30.7	Very low	46.3	Very low	104 Å²	104	111.7 Å²	111.7	73%	0.727	64%	0.637	S	S	*	*			trans	-60.5	111.9	173	38.6	0	0	0	0	109.8	F672 N676	F672-S674 PolarHBondContact O-N 3.42Å; S674-N676 PolarHBondContact O-N 3.01Å
675	N	27.8	Very low	43.1	Very low	151 Å²	151	114.7 Å²	114.7	81%	0.807	66%	0.663	S	S	*	*			trans	-74	42.8	175.8	-80.4	-9.8	0	0	0	112.5	T673	T673-N675 PolarHBondContact O-N 3.46Å; T673-N675 VanDerWaalsContact O-N 3.11Å
676	N	29.9	Very low	40.3	Very low	144 Å²	144	118.1 Å²	118.1	77%	0.77	68%	0.68	S	S	*	*			trans	-119.7	51.4	177.4	-79.6	-3.6	0	0	0	111.1	S674	S674-N676 PolarHBondContact O-N 3.01Å
677	I	35.4	Very low	37.4	Very low	164 Å²	164	124.5 Å²	124.5	84%	0.841	71%	0.714	S	S	*	*	S	Bend	trans	-143.8	120.9	148.7	-84.8	117.2	0	0	0	107.4
678	T	34.9	Very low	34.8	Very low	127 Å²	127	129.6 Å²	129.6	78%	0.779	73%	0.73	S	S	*	*			trans	-78	134.4	176.3	48.2	0	0	0	0	111.7
679	N	29.5	Very low	32.6	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	75%	0.751	S	S	*	*			trans	22.6	102.8	149	-67.1	-14.6	0	0	0	118.4
680	S	34.6	Very low	31	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	78%	0.78	S	S	*	*			trans	-137.9	108.4	139.2	66.2	0	0	0	0	110	N682	S680-N682 PolarHBondContact O-N 3.44Å
681	N	29.6	Very low	29.9	Very low	150 Å²	150	141.1 Å²	141.1	80%	0.802	79%	0.785	S	S	*	*			trans	-57.8	129	175.4	-64.7	-43.5	0	0	0	110.8
682	N	33.1	Very low	29.4	Very low	157 Å²	157	144.7 Å²	144.7	84%	0.84	80%	0.799	S	S	*	*			trans	-165	105.8	139.5	-97.8	-26.2	0	0	0	109	S680	S680-N682 PolarHBondContact O-N 3.44Å
683	G	26.3	Very low	29.2	Very low	75 Å²	75	143.5 Å²	143.5	77%	0.773	80%	0.8	S	S	*	*			trans	-78.5	123	176.3	0	0	0	0	0	111
684	Y	29.3	Very low	29.2	Very low	209 Å²	209	144.8 Å²	144.8	82%	0.82	80%	0.802	S	S	*	*			trans	-135.2	121.5	151.7	-89.7	-78.2	0	0	0	108.6	I686	Y684-I686 PolarHBondContact O-N 3.47Å
685	S	25.2	Very low	29.6	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	79%	0.791	S	S	*	*			trans	-66.3	128.3	170.3	-178.1	0	0	0	0	109
686	I	28.9	Very low	30	Very low	150 Å²	150	142.3 Å²	142.3	77%	0.769	78%	0.781	S	S	*	*			trans	-134.1	87.7	170.6	-42	178.2	0	0	0	108.6	Y684	Y684-I686 PolarHBondContact O-N 3.47Å
687	N	27	Very low	30.9	Very low	136 Å²	136	141.7 Å²	141.7	73%	0.727	78%	0.776	S	S	*	*			trans	28.9	115.5	146.4	-54	-8.6	0	0	0	118.2	E689	N687-E689 PolarHBondContact O-N 3.22Å
688	E	26.8	Very low	31.9	Very low	193 Å²	193	134 Å²	134	90%	0.902	74%	0.738	S	S	*	*	S	Bend	trans	-59.4	95.7	162.6	-60.1	174.6	131.2	0	0	111.1
689	E	26	Very low	33.4	Very low	177 Å²	177	128.9 Å²	128.9	83%	0.827	71%	0.706	S	S	*	*			trans	-165.7	47.3	167	-120	173.7	-135.3	0	0	113.2	N687	N687-E689 PolarHBondContact O-N 3.22Å
690	N	25.4	Very low	35.7	Very low	153 Å²	153	121.8 Å²	121.8	82%	0.818	67%	0.668	S	S	*	*			trans	-163.6	39.3	170.3	-107.9	-45.8	0	0	0	116.6	N692	N690-N692 PolarHBondContact O-N 2.7Å; N690-N692 VanDerWaalsContact O-N 3.08Å
691	C	25.3	Very low	37.9	Very low	129 Å²	129	122.1 Å²	122.1	87%	0.872	65%	0.651	S	S	*	*			trans	-84.5	76	-179.2	-66.3	0	0	0	0	113.2
692	N	26.6	Very low	40.6	Very low	148 Å²	148	116 Å²	116	79%	0.791	62%	0.618	S	S	*	*	S	Bend	trans	-142.3	2.8	175.7	-106.9	-24.5	0	0	0	116.6	N690	N690-N692 PolarHBondContact O-N 2.7Å; N690-N692 VanDerWaalsContact O-N 3.08Å
693	N	29.8	Very low	43.2	Very low	140 Å²	140	111.4 Å²	111.4	75%	0.749	60%	0.598	S	S	*	*	S	Bend	trans	-133	1.2	-173.5	-76.9	-50.8	0	0	0	116.8
694	N	31.5	Very low	46.2	Very low	148 Å²	148	108.2 Å²	108.2	79%	0.791	57%	0.565	S	S	*	*			trans	-120.3	92.4	177.6	-68.9	-13.1	0	0	0	110.5	P696	N694-P696 VanDerWaalsContact O-CD 3.28Å; N694-P696 WeakPolarHBondContact O-CD 3.43Å
695	K	39.2	Very low	49.2	Very low	112 Å²	112	98.3 Å²	98.3	49%	0.487	53%	0.526	S	S	.	.			trans	-85.5	106.2	161.3	-107.2	179	172.9	177.5	0	107.1	E636	E636-K695 VanDerWaalsContact CD-NZ 3.33Å; E636-K695 IonicContact OE1-NZ 3.56Å; E636-K695 PolarHBondContact OE1-NZ 2.86Å; E636-K695 IonicContact OE2-NZ 3.52Å; E636-K695 PolarHBondContact OE2-NZ 3.3Å
696	P	35.1	Very low	52.3	Low	92 Å²	92	95 Å²	95	60%	0.597	50%	0.501	S	S	*	.			trans	-68.5	144.8	173.2	29.1	-33.8	0	0	0	110.1	N694 G698	N694-P696 VanDerWaalsContact O-CD 3.28Å; N694-P696 WeakPolarHBondContact O-CD 3.43Å; P696-G698 PolarHBondContact O-N 3.46Å
697	L	49.8	Very low	55.3	Low	130 Å²	130	92.5 Å²	92.5	68%	0.681	49%	0.486	S	S	*	.			trans	-58.2	111.3	168.2	-68.2	94.9	0	0	0	107.8	F1050	L697-F1050 HydrophobicContact CD2-CB 4.22Å
698	G	57	Low	58.4	Low	4 Å²	4	86.4 Å²	86.4	4%	0.041	45%	0.454	C	S	.	.			trans	-134.3	123.6	-160.7	0	0	0	0	0	112.1	I668 P696 I700 F1050	I668-G698 VanDerWaalsContact CG2-C 3.49Å; I668-G698 VanDerWaalsContact CG2-CA 3.42Å; P696-G698 PolarHBondContact O-N 3.46Å; G698-I700 PolarHBondContact O-N 3.02Å; G698-F1050 WeakPolarHBondContact O-CE2 3.39Å; G698-F1050 WeakPolarHBondContact O-CZ 3.34Å
699	L	66.7	Low	61.6	Low	19 Å²	19	77.6 Å²	77.6	10%	0.099	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	124.2	-173	-175.3	169.1	0	0	0	112	S669 F672 R701 Q1047	S669-L699 PolarHBondContact N-O 2.72Å; F672-L699 HydrophobicContact CD2-CD1 4.44Å; F672-L699 HydrophobicContact CE2-CD1 4.14Å; L699-R701 HydrophobicContact CD2-CB 4.46Å; L699-R701 HydrophobicContact CD2-CG 3.56Å; L699-Q1047 HydrophobicContact CD1-CG 3.71Å; L699-Q1047 HydrophobicContact CG-CG 4.28Å
700	I	76.6	Confident	64.7	Low	5 Å²	5	76.1 Å²	76.1	3%	0.026	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.3	170.5	-58.4	172.9	0	0	0	108.1	P666 I668 G698 I705 L717 I719 F1050	P666-I700 HydrophobicContact CB-CG2 4.18Å; P666-I700 HydrophobicContact CG-CD1 4.31Å; P666-I700 HydrophobicContact CG-CG2 3.73Å; I668-I700 HydrophobicContact CG1-CG1 4.24Å; G698-I700 PolarHBondContact O-N 3.02Å; I700-I705 HydrophobicContact CG2-CD1 3.85Å; I700-I705 HydrophobicContact CG2-CG1 3.72Å; I700-L717 HydrophobicContact CD1-CD2 4.23Å; I700-I719 HydrophobicContact CD1-CG2 4.45Å; I700-F1050 HydrophobicContact CD1-CE2 4.33Å; I700-F1050 HydrophobicContact CD1-CZ 4.07Å; I700-F1050 HydrophobicContact CG1-CE2 4.22Å; I700-F1050 HydrophobicContact CG1-CZ 4.34Å
701	R	81.9	Confident	67.9	Low	125 Å²	125	76.4 Å²	76.4	47%	0.472	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-76.2	137.5	179	-67.3	-178.6	-179.6	-179.4	-0.4	110.2	S669 L699 S703 A704 I705	S669-R701 PolarHBondContact OG-NE 2.8Å; L699-R701 HydrophobicContact CD2-CB 4.46Å; L699-R701 HydrophobicContact CD2-CG 3.56Å; R701-S703 PolarHBondContact O-N 3.07Å; R701-A704 HydrophobicContact CB-CB 4.5Å; R701-A704 WeakPolarHBondContact O-CB 3.49Å; R701-A704 PolarHBondContact O-N 3.28Å; R701-I705 PolarHBondContact O-N 3.08Å
702	L	85.8	Confident	71	Confident	21 Å²	21	71.8 Å²	71.8	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-54.5	-40.1	177.2	-169.3	67.2	0	0	0	112.2	A704 I705 T706 L727 L730 I732 L1045	L702-A704 VanDerWaalsContact C-N 3.26Å; L702-A704 PolarHBondContact O-N 3.35Å; L702-I705 WeakPolarHBondContact O-CB 3.21Å; L702-I705 PolarHBondContact O-N 3.28Å; L702-I705 VanDerWaalsContact O-N 3.17Å; L702-T706 PolarHBondContact O-N 3.38Å; L702-T706 PolarHBondContact O-OG1 2.95Å; L702-L727 HydrophobicContact CD1-CD2 3.61Å; L702-L730 HydrophobicContact CD1-CD1 4.22Å; L702-L730 HydrophobicContact CD2-CD1 3.92Å; L702-I732 HydrophobicContact CD1-CD1 3.87Å; L702-I732 HydrophobicContact CG-CD1 4.48Å; L702-L1045 HydrophobicContact CD2-CD2 3.8Å; L702-L1045 VanDerWaalsContact CD2-O 3.28Å; L702-L1045 WeakPolarHBondContact CD2-O 3.27Å
703	S	88.3	Confident	74.2	Confident	60 Å²	60	68.6 Å²	68.6	42%	0.42	35%	0.345	S	S	.	.	H	α-helix	trans	-57.6	-35.5	176.6	60.9	0	0	0	0	113.5	R701 E707	R701-S703 PolarHBondContact O-N 3.07Å; S703-E707 VanDerWaalsContact O-CB 3.32Å; S703-E707 WeakPolarHBondContact O-CB 3.33Å; S703-E707 PolarHBondContact O-N 3.42Å
704	A	88.8	Confident	77.3	Confident	9 Å²	9	62.4 Å²	62.4	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-72.3	-36.3	179.4	0	0	0	0	0	111.9	P666 P667 R701 L702 C708	P666-A704 HydrophobicContact CB-CB 4.4Å; P667-A704 HydrophobicContact CG-CB 3.91Å; R701-A704 HydrophobicContact CB-CB 4.5Å; R701-A704 WeakPolarHBondContact O-CB 3.49Å; R701-A704 PolarHBondContact O-N 3.28Å; L702-A704 VanDerWaalsContact C-N 3.26Å; L702-A704 PolarHBondContact O-N 3.35Å; A704-C708 WeakPolarHBondContact O-CB 3.17Å; A704-C708 PolarHBondContact O-N 2.83Å; A704-C708 VanDerWaalsContact O-N 3.08Å; A704-C708 PolarHBondContact O-SG 2.97Å
705	I	91.8	Very high	80.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-53.4	172.7	-57.7	175.8	0	0	0	109	P627 I700 R701 L702 E707 C708 M709 C715 L717 L727 L1048	P627-I705 HydrophobicContact CG-CG2 3.72Å; I700-I705 HydrophobicContact CG2-CD1 3.85Å; I700-I705 HydrophobicContact CG2-CG1 3.72Å; R701-I705 PolarHBondContact O-N 3.08Å; L702-I705 WeakPolarHBondContact O-CB 3.21Å; L702-I705 PolarHBondContact O-N 3.28Å; L702-I705 VanDerWaalsContact O-N 3.17Å; I705-E707 VanDerWaalsContact C-N 3.29Å; I705-E707 PolarHBondContact O-N 2.76Å; I705-C708 PolarHBondContact O-N 3.15Å; I705-C708 VanDerWaalsContact O-N 3.15Å; I705-M709 HydrophobicContact CG2-CG 4.39Å; I705-M709 HydrophobicContact CG2-SD 3.87Å; I705-M709 VanDerWaalsContact O-CG 3.3Å; I705-M709 WeakPolarHBondContact O-CG 3.21Å; I705-M709 PolarHBondContact O-N 2.8Å; I705-C715 HydrophobicContact CG2-CB 4.35Å; I705-C715 PolarHBondContact O-SG 3.44Å; I705-L717 HydrophobicContact CD1-CD1 3.99Å; I705-L717 HydrophobicContact CD1-CD2 4.13Å; I705-L717 HydrophobicContact CG1-CD2 4.17Å; I705-L727 HydrophobicContact CD1-CD2 4.25Å; I705-L1048 HydrophobicContact CD1-CD1 3.45Å; I705-L1048 VanDerWaalsContact CD1-CD1 3.45Å
706	T	91.2	Very high	82.9	Confident	44 Å²	44	50.2 Å²	50.2	27%	0.27	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-38.5	179.7	-57.6	0	0	0	0	112.6	L702 K710	L702-T706 PolarHBondContact O-N 3.38Å; L702-T706 PolarHBondContact O-OG1 2.95Å; T706-K710 HydrophobicContact CG2-CD 4.12Å; T706-K710 WeakPolarHBondContact O-CB 3.35Å; T706-K710 VanDerWaalsContact O-CG 3.27Å; T706-K710 WeakPolarHBondContact O-CG 3.48Å; T706-K710 PolarHBondContact O-N 2.82Å
707	E	90.7	Very high	85.7	Confident	97 Å²	97	45.9 Å²	45.9	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-65.9	-46.1	175.3	-179.3	173.3	-162.3	0	0	112.2	S703 I705 M709 K710 R711	S703-E707 VanDerWaalsContact O-CB 3.32Å; S703-E707 WeakPolarHBondContact O-CB 3.33Å; S703-E707 PolarHBondContact O-N 3.42Å; I705-E707 VanDerWaalsContact C-N 3.29Å; I705-E707 PolarHBondContact O-N 2.76Å; E707-M709 PolarHBondContact O-N 2.82Å; E707-K710 PolarHBondContact O-N 2.92Å; E707-R711 HydrophobicContact CG-CG 4.48Å; E707-R711 WeakPolarHBondContact O-CB 3.46Å; E707-R711 VanDerWaalsContact O-CG 3.26Å; E707-R711 WeakPolarHBondContact O-CG 3.27Å; E707-R711 PolarHBondContact O-N 2.67Å; E707-R711 IonicContact OE1-CZ 3.27Å; E707-R711 VanDerWaalsContact OE1-CZ 3.27Å; E707-R711 IonicContact OE1-NE 2.71Å; E707-R711 PolarHBondContact OE1-NE 2.93Å; E707-R711 IonicContact OE1-NH2 3.22Å; E707-R711 PolarHBondContact OE1-NH2 3.19Å
708	C	91.6	Very high	87.5	Confident	8 Å²	8	42.5 Å²	42.5	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-41.8	177.4	-71	0	0	0	0	112	I664 A704 I705 R711 G712 Y713 C715	I664-C708 HydrophobicContact CG2-CB 3.72Å; A704-C708 WeakPolarHBondContact O-CB 3.17Å; A704-C708 PolarHBondContact O-N 2.83Å; A704-C708 VanDerWaalsContact O-N 3.08Å; A704-C708 PolarHBondContact O-SG 2.97Å; I705-C708 PolarHBondContact O-N 3.15Å; I705-C708 VanDerWaalsContact O-N 3.15Å; C708-R711 PolarHBondContact O-N 2.84Å; C708-G712 PolarHBondContact O-N 3.47Å; C708-Y713 PolarHBondContact O-N 2.84Å; C708-C715 WeakPolarHBondContact CB-SG 3.46Å
709	M	93.9	Very high	88.9	Confident	9 Å²	9	42.7 Å²	42.7	4%	0.044	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-48	173.7	-66.9	173.1	62.8	0	0	111.9	F622 F624 P625 P627 I705 E707 R711 G712 I732	F622-M709 HydrophobicContact CE1-CE 3.66Å; F622-M709 HydrophobicContact CZ-CE 4.29Å; F624-M709 HydrophobicContact CB-CB 4.26Å; F624-M709 HydrophobicContact CB-CE 4.07Å; P625-M709 WeakPolarHBondContact O-CG 3.3Å; P627-M709 HydrophobicContact CG-CG 4.4Å; P627-M709 HydrophobicContact CG-SD 3.76Å; I705-M709 HydrophobicContact CG2-CG 4.39Å; I705-M709 HydrophobicContact CG2-SD 3.87Å; I705-M709 VanDerWaalsContact O-CG 3.3Å; I705-M709 WeakPolarHBondContact O-CG 3.21Å; I705-M709 PolarHBondContact O-N 2.8Å; E707-M709 PolarHBondContact O-N 2.82Å; M709-R711 VanDerWaalsContact C-N 3.26Å; M709-R711 PolarHBondContact O-N 3.06Å; M709-G712 PolarHBondContact O-N 2.89Å; M709-I732 HydrophobicContact CE-CG2 4.05Å; M709-I732 HydrophobicContact SD-CG2 3.7Å
710	K	91.4	Very high	89.7	Confident	146 Å²	146	42 Å²	42	64%	0.635	20%	0.203	S	C	*	.	H	α-helix	trans	-63	-30	177.5	-76.1	175.9	178.8	-176.9	0	113.1	F624 T706 E707 G712	F624-K710 HydrophobicContact CE1-CG 4.18Å; T706-K710 HydrophobicContact CG2-CD 4.12Å; T706-K710 WeakPolarHBondContact O-CB 3.35Å; T706-K710 VanDerWaalsContact O-CG 3.27Å; T706-K710 WeakPolarHBondContact O-CG 3.48Å; T706-K710 PolarHBondContact O-N 2.82Å; E707-K710 PolarHBondContact O-N 2.92Å; K710-G712 PolarHBondContact O-N 3.11Å
711	R	92.4	Very high	90.2	Very high	159 Å²	159	42.2 Å²	42.2	60%	0.6	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.4	173.1	-70.1	170.9	177.3	-143.7	5.1	113.7	E707 C708 M709 Y713	E707-R711 HydrophobicContact CG-CG 4.48Å; E707-R711 WeakPolarHBondContact O-CB 3.46Å; E707-R711 VanDerWaalsContact O-CG 3.26Å; E707-R711 WeakPolarHBondContact O-CG 3.27Å; E707-R711 PolarHBondContact O-N 2.67Å; E707-R711 IonicContact OE1-CZ 3.27Å; E707-R711 VanDerWaalsContact OE1-CZ 3.27Å; E707-R711 IonicContact OE1-NE 2.71Å; E707-R711 PolarHBondContact OE1-NE 2.93Å; E707-R711 IonicContact OE1-NH2 3.22Å; E707-R711 PolarHBondContact OE1-NH2 3.19Å; C708-R711 PolarHBondContact O-N 2.84Å; M709-R711 VanDerWaalsContact C-N 3.26Å; M709-R711 PolarHBondContact O-N 3.06Å; R711-Y713 HydrophobicContact CB-CD2 3.72Å; R711-Y713 HydrophobicContact CB-CE2 3.88Å; R711-Y713 WeakPolarHBondContact O-CD2 3.37Å; R711-Y713 WeakPolarHBondContact O-CE2 3.47Å
712	G	91.1	Very high	90.3	Very high	31 Å²	31	38.5 Å²	38.5	32%	0.32	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	28.1	178	0	0	0	0	0	114.9	C708 M709 K710	C708-G712 PolarHBondContact O-N 3.47Å; M709-G712 PolarHBondContact O-N 2.89Å; K710-G712 PolarHBondContact O-N 3.11Å
713	Y	93.6	Very high	90.3	Very high	81 Å²	81	37.5 Å²	37.5	32%	0.318	19%	0.191	S	C	.	.			trans	-116	136	178.3	-62.1	-99.5	0	0	0	112.5	K662 I664 C708 R711 C715	K662-Y713 HydrophobicContact CB-CD1 3.62Å; K662-Y713 HydrophobicContact CB-CE1 3.88Å; K662-Y713 HydrophobicContact CB-CG 4.3Å; K662-Y713 HydrophobicContact CD-CE1 4.43Å; K662-Y713 WeakPolarHBondContact O-CA 3.48Å; I664-Y713 HydrophobicContact CB-CD1 3.94Å; I664-Y713 HydrophobicContact CB-CG 4.15Å; I664-Y713 VanDerWaalsContact CG2-CB 3.45Å; I664-Y713 HydrophobicContact CG2-CD1 4.31Å; I664-Y713 HydrophobicContact CG2-CG 4Å; C708-Y713 PolarHBondContact O-N 2.84Å; R711-Y713 HydrophobicContact CB-CD2 3.72Å; R711-Y713 HydrophobicContact CB-CE2 3.88Å; R711-Y713 WeakPolarHBondContact O-CD2 3.37Å; R711-Y713 WeakPolarHBondContact O-CE2 3.47Å; Y713-C715 PolarHBondContact O-N 3.35Å
714	H	95.2	Very high	90.4	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.6	162.2	-72	-84.3	0	0	0	109.5	R626 V628 I661 K662 F663 I664 L716 Q833	R626-H714 PolarHBondContact O-ND1 2.84Å; V628-H714 HydrophobicContact CG2-CB 4.04Å; I661-H714 WeakPolarHBondContact CG2-CD2 3.32Å; K662-H714 PolarHBondContact O-N 2.92Å; F663-H714 WeakPolarHBondContact CA-O 3.4Å; F663-H714 HydrophobicContact CD1-CB 3.59Å; F663-H714 HydrophobicContact CE1-CB 3.79Å; I664-H714 PolarHBondContact N-O 2.85Å; H714-L716 PolarHBondContact O-N 3.19Å; H714-Q833 PolarHBondContact CE1-OE1 2.76Å; H714-Q833 VanDerWaalsContact CE1-OE1 3.25Å
715	C	94.2	Very high	90.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.7	177.5	-58.2	0	0	0	0	109.8	P627 V628 I664 I705 C708 Y713 L717	P627-C715 CarbonylContact C-O 3.16Å; P627-C715 WeakPolarHBondContact CA-O 3.18Å; P627-C715 HydrophobicContact CB-CB 4.04Å; P627-C715 HydrophobicContact CG-CB 4.43Å; V628-C715 PolarHBondContact N-O 3.07Å; I664-C715 CarbonylContact O-C 3.52Å; I664-C715 WeakPolarHBondContact O-CA 3.42Å; I705-C715 HydrophobicContact CG2-CB 4.35Å; I705-C715 PolarHBondContact O-SG 3.44Å; C708-C715 WeakPolarHBondContact CB-SG 3.46Å; Y713-C715 PolarHBondContact O-N 3.35Å; C715-L717 HydrophobicContact CB-CD2 3.96Å; C715-L717 HydrophobicContact CB-CG 4.27Å; C715-L717 PolarHBondContact O-N 3.36Å
716	L	94.6	Very high	90.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	105.2	171.5	-67.8	171.5	0	0	0	108.9	V628 I630 R639 L642 T643 F663 I664 I665 H714	V628-L716 HydrophobicContact CB-CD2 4.26Å; V628-L716 HydrophobicContact CG1-CD2 4.4Å; I630-L716 HydrophobicContact CD1-CD2 4.48Å; R639-L716 HydrophobicContact CB-CD1 4.46Å; R639-L716 WeakPolarHBondContact O-CD1 3.43Å; L642-L716 HydrophobicContact CB-CD1 4.07Å; L642-L716 HydrophobicContact CB-CD2 4.5Å; L642-L716 HydrophobicContact CD1-CD2 3.88Å; T643-L716 WeakPolarHBondContact OG1-CD1 3.26Å; F663-L716 HydrophobicContact CB-CD1 3.85Å; F663-L716 HydrophobicContact CB-CG 4.14Å; F663-L716 HydrophobicContact CD1-CD2 3.9Å; F663-L716 HydrophobicContact CD1-CG 4.15Å; F663-L716 HydrophobicContact CG-CD1 4.47Å; I664-L716 PolarHBondContact O-N 3.03Å; I665-L716 HydrophobicContact CG1-CB 4.01Å; I665-L716 HydrophobicContact CG1-CD1 4.36Å; H714-L716 PolarHBondContact O-N 3.19Å
717	L	92.5	Very high	90.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.9	-177.8	-56.3	-174	0	0	0	111.2	P627 V628 V629 P666 I700 I705 C715 I719 L727	P627-L717 HydrophobicContact CB-CD1 3.63Å; P627-L717 HydrophobicContact CB-CG 4.06Å; P627-L717 HydrophobicContact CG-CD1 4.45Å; V628-L717 PolarHBondContact O-N 3.1Å; V629-L717 HydrophobicContact CG2-CB 4.06Å; P666-L717 HydrophobicContact CG-CD2 3.6Å; I700-L717 HydrophobicContact CD1-CD2 4.23Å; I705-L717 HydrophobicContact CD1-CD1 3.99Å; I705-L717 HydrophobicContact CD1-CD2 4.13Å; I705-L717 HydrophobicContact CG1-CD2 4.17Å; C715-L717 HydrophobicContact CB-CD2 3.96Å; C715-L717 HydrophobicContact CB-CG 4.27Å; C715-L717 PolarHBondContact O-N 3.36Å; L717-I719 HydrophobicContact CB-CD1 4.32Å; L717-I719 HydrophobicContact CB-CG1 4.13Å; L717-I719 HydrophobicContact CB-CG2 4.44Å; L717-I719 HydrophobicContact CD1-CD1 3.94Å; L717-L727 HydrophobicContact CD1-CD1 3.76Å
718	D	87.9	Confident	90.5	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	15%	0.153	S	C	.	.			trans	-122.7	92	172.8	-160.7	18.8	0	0	0	105.9	R639 F1050	R639-D718 IonicContact CZ-OD1 3.68Å; R639-D718 VanDerWaalsContact CZ-OD1 3.28Å; R639-D718 IonicContact CZ-OD2 3.15Å; R639-D718 IonicContact NH1-OD1 3.69Å; R639-D718 PolarHBondContact NH1-OD1 3.48Å; R639-D718 IonicContact NH1-OD2 2.7Å; R639-D718 IonicContact NH2-OD1 2.77Å; R639-D718 PolarHBondContact NH2-OD1 2.78Å; R639-D718 VanDerWaalsContact NH2-OD1 3.16Å; R639-D718 IonicContact NH2-OD2 3.48Å; R639-D718 PolarHBondContact NH2-OD2 3.08Å; D718-F1050 WeakPolarHBondContact O-CE1 3.22Å; D718-F1050 WeakPolarHBondContact O-CZ 3.33Å
719	I	87.3	Confident	90.5	Very high	7 Å²	7	33 Å²	33	4%	0.036	16%	0.159	C	C	.	.			trans	-146.1	155.8	-168.7	56.7	167.4	0	0	0	112.3	V629 F631 I700 L717 A723 I724 L727	V629-I719 HydrophobicContact CG1-CG1 4.4Å; V629-I719 HydrophobicContact CG2-CD1 3.94Å; V629-I719 HydrophobicContact CG2-CG1 3.7Å; F631-I719 WeakPolarHBondContact CZ-O 3.22Å; I700-I719 HydrophobicContact CD1-CG2 4.45Å; L717-I719 HydrophobicContact CB-CD1 4.32Å; L717-I719 HydrophobicContact CB-CG1 4.13Å; L717-I719 HydrophobicContact CB-CG2 4.44Å; L717-I719 HydrophobicContact CD1-CD1 3.94Å; I719-A723 HydrophobicContact CB-CB 4.03Å; I719-A723 HydrophobicContact CD1-CB 4.23Å; I719-I724 HydrophobicContact CD1-CG1 3.85Å; I719-I724 HydrophobicContact CG1-CG1 4.11Å; I719-L727 HydrophobicContact CD1-CD1 3.55Å
720	G	83.4	Confident	90.3	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	17%	0.171	C	C	.	.			trans	-73.9	170.1	177.8	0	0	0	0	0	115	T722 A723 I724	G720-T722 VanDerWaalsContact C-N 3.35Å; G720-T722 PolarHBondContact O-N 3.28Å; G720-A723 WeakPolarHBondContact O-CB 3.46Å; G720-A723 PolarHBondContact O-N 3.2Å; G720-A723 VanDerWaalsContact O-N 3.16Å; G720-I724 PolarHBondContact O-N 2.97Å
721	P	86.5	Confident	90.3	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.071	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-36.2	-176.5	-12.9	32.1	0	0	0	110.5	A723 I724 E725 K796 V799 I1053	P721-A723 VanDerWaalsContact C-N 3.29Å; P721-A723 PolarHBondContact O-N 3.47Å; P721-I724 WeakPolarHBondContact O-CB 3.12Å; P721-I724 PolarHBondContact O-N 2.56Å; P721-E725 WeakPolarHBondContact O-CG 3.25Å; P721-E725 PolarHBondContact O-N 3.05Å; P721-K796 HydrophobicContact CB-CD 4.38Å; P721-K796 HydrophobicContact CG-CD 4.4Å; P721-K796 HydrophobicContact CG-CG 4.42Å; P721-V799 HydrophobicContact CB-CG1 4.03Å; P721-V799 HydrophobicContact CB-CG2 4.09Å; P721-I1053 VanDerWaalsContact CD-CG1 3.45Å; P721-I1053 HydrophobicContact CG-CD1 3.73Å; P721-I1053 HydrophobicContact CG-CG1 3.87Å
722	T	83.1	Confident	90.4	Very high	47 Å²	47	21.9 Å²	21.9	29%	0.288	12%	0.119	S	C	.	.	H	α-helix	trans	-59.5	-39.3	172.4	-39.5	0	0	0	0	111.5	G720 E725 R726	G720-T722 VanDerWaalsContact C-N 3.35Å; G720-T722 PolarHBondContact O-N 3.28Å; T722-E725 PolarHBondContact O-N 3.39Å; T722-R726 VanDerWaalsContact CG2-NH2 3.32Å; T722-R726 VanDerWaalsContact O-CG 3.28Å; T722-R726 WeakPolarHBondContact O-CG 3.49Å; T722-R726 PolarHBondContact O-N 3.23Å
723	A	86.3	Confident	90.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-73.1	-33.7	176	0	0	0	0	0	112.4	I719 G720 P721 R726 L727	I719-A723 HydrophobicContact CB-CB 4.03Å; I719-A723 HydrophobicContact CD1-CB 4.23Å; G720-A723 WeakPolarHBondContact O-CB 3.46Å; G720-A723 PolarHBondContact O-N 3.2Å; G720-A723 VanDerWaalsContact O-N 3.16Å; P721-A723 VanDerWaalsContact C-N 3.29Å; P721-A723 PolarHBondContact O-N 3.47Å; A723-R726 PolarHBondContact O-N 2.91Å; A723-L727 WeakPolarHBondContact O-CB 3.38Å; A723-L727 PolarHBondContact O-N 3.04Å
724	I	91.7	Very high	90.7	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.026	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-45.6	170.4	-72.2	164	0	0	0	111.1	V629 F631 I719 G720 P721 L727 T728 P734 V736 V799	V629-I724 HydrophobicContact CB-CD1 4.35Å; V629-I724 HydrophobicContact CG1-CD1 4.18Å; V629-I724 HydrophobicContact CG2-CD1 4.17Å; V629-I724 HydrophobicContact CG2-CG1 4.1Å; F631-I724 HydrophobicContact CE2-CD1 3.63Å; F631-I724 HydrophobicContact CZ-CD1 3.68Å; I719-I724 HydrophobicContact CD1-CG1 3.85Å; I719-I724 HydrophobicContact CG1-CG1 4.11Å; G720-I724 PolarHBondContact O-N 2.97Å; P721-I724 WeakPolarHBondContact O-CB 3.12Å; P721-I724 PolarHBondContact O-N 2.56Å; I724-L727 PolarHBondContact O-N 3.14Å; I724-T728 WeakPolarHBondContact O-CB 3.47Å; I724-T728 PolarHBondContact O-N 3.12Å; I724-T728 PolarHBondContact O-OG1 3.27Å; I724-P734 HydrophobicContact CB-CG 4.43Å; I724-P734 HydrophobicContact CG1-CG 4.32Å; I724-P734 HydrophobicContact CG2-CG 3.8Å; I724-V736 HydrophobicContact CD1-CG1 4.03Å; I724-V736 HydrophobicContact CD1-CG2 3.95Å; I724-V736 HydrophobicContact CG1-CG2 4.35Å; I724-V736 HydrophobicContact CG2-CG2 4.06Å; I724-V799 HydrophobicContact CD1-CG2 4.48Å; I724-V799 HydrophobicContact CG2-CB 4.09Å; I724-V799 HydrophobicContact CG2-CG1 4.32Å
725	E	89.8	Confident	90.8	Very high	15 Å²	15	16.6 Å²	16.6	7%	0.07	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-43.3	177.4	-71.6	175.8	170.5	0	0	111.5	R552 P721 T722 T728 L729 H798 V799	R552-E725 IonicContact CZ-OE1 2.98Å; R552-E725 IonicContact CZ-OE2 3.3Å; R552-E725 IonicContact NE-OE1 2.7Å; R552-E725 PolarHBondContact NE-OE1 3.12Å; R552-E725 IonicContact NE-OE2 2.92Å; R552-E725 VanDerWaalsContact NH2-CD 3.33Å; R552-E725 IonicContact NH2-OE1 3.28Å; R552-E725 PolarHBondContact NH2-OE1 3.09Å; R552-E725 IonicContact NH2-OE2 2.69Å; R552-E725 PolarHBondContact NH2-OE2 2.93Å; P721-E725 WeakPolarHBondContact O-CG 3.25Å; P721-E725 PolarHBondContact O-N 3.05Å; T722-E725 PolarHBondContact O-N 3.39Å; E725-T728 WeakPolarHBondContact O-CB 3.48Å; E725-T728 PolarHBondContact O-N 2.89Å; E725-L729 WeakPolarHBondContact O-CD1 3.46Å; E725-L729 PolarHBondContact O-N 3.2Å; E725-H798 IonicContact OE1-CD2 3.78Å; E725-H798 IonicContact OE1-CE1 3.68Å; E725-H798 IonicContact OE1-NE2 3.16Å; E725-H798 PolarHBondContact OE1-NE2 3.23Å; E725-V799 HydrophobicContact CG-CG1 4.18Å
726	R	89	Confident	91	Very high	47 Å²	47	16.7 Å²	16.7	18%	0.177	9%	0.09	C	C	.	.	H	α-helix	trans	-57.8	-48.6	172.7	-72.2	175.2	-160.1	159.9	17.1	111.5	F608 T722 A723 T728 L729 L730 D1051	F608-R726 HydrophobicContact CD1-CG 3.62Å; F608-R726 HydrophobicContact CE1-CG 3.92Å; F608-R726 HydrophobicContact CG-CG 4.07Å; T722-R726 VanDerWaalsContact CG2-NH2 3.32Å; T722-R726 VanDerWaalsContact O-CG 3.28Å; T722-R726 WeakPolarHBondContact O-CG 3.49Å; T722-R726 PolarHBondContact O-N 3.23Å; A723-R726 PolarHBondContact O-N 2.91Å; R726-T728 VanDerWaalsContact C-N 3.31Å; R726-T728 PolarHBondContact O-N 2.99Å; R726-L729 PolarHBondContact O-N 3.21Å; R726-L730 VanDerWaalsContact O-CG 3.25Å; R726-L730 WeakPolarHBondContact O-CG 3.45Å; R726-L730 PolarHBondContact O-N 3.03Å; R726-D1051 IonicContact CZ-OD2 2.69Å; R726-D1051 IonicContact NH1-OD2 2.69Å; R726-D1051 IonicContact NH2-OD2 3.44Å; R726-D1051 PolarHBondContact NH2-OD2 3.3Å
727	L	92.1	Very high	91.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-40.5	175.7	-84.4	176	0	0	0	112.7	L702 I705 L717 I719 A723 I724 L730 G731 I732 L1048	L702-L727 HydrophobicContact CD1-CD2 3.61Å; I705-L727 HydrophobicContact CD1-CD2 4.25Å; L717-L727 HydrophobicContact CD1-CD1 3.76Å; I719-L727 HydrophobicContact CD1-CD1 3.55Å; A723-L727 WeakPolarHBondContact O-CB 3.38Å; A723-L727 PolarHBondContact O-N 3.04Å; I724-L727 PolarHBondContact O-N 3.14Å; L727-L730 CarbonylContact O-C 3.54Å; L727-L730 PolarHBondContact O-N 2.95Å; L727-G731 PolarHBondContact O-N 2.75Å; L727-I732 CarbonylContact C-O 3.57Å; L727-I732 HydrophobicContact CD2-CB 4.29Å; L727-I732 HydrophobicContact CD2-CG2 4.29Å; L727-I732 CarbonylContact O-C 3.39Å; L727-I732 WeakPolarHBondContact O-CA 3.37Å; L727-I732 PolarHBondContact O-N 2.85Å; L727-L1048 HydrophobicContact CD1-CD1 4.24Å; L727-L1048 HydrophobicContact CD2-CD1 3.89Å; L727-L1048 HydrophobicContact CD2-CD2 4.48Å; L727-L1048 HydrophobicContact CG-CD1 4.08Å; L727-L1048 HydrophobicContact CG-CD2 4.22Å
728	T	92.8	Very high	91.2	Very high	22 Å²	22	16.5 Å²	16.5	14%	0.135	9%	0.089	C	C	.	.	H	α-helix	trans	-63	-45.3	178.5	-56.4	0	0	0	0	111.4	I724 E725 R726 L730 G731	I724-T728 WeakPolarHBondContact O-CB 3.47Å; I724-T728 PolarHBondContact O-N 3.12Å; I724-T728 PolarHBondContact O-OG1 3.27Å; E725-T728 WeakPolarHBondContact O-CB 3.48Å; E725-T728 PolarHBondContact O-N 2.89Å; R726-T728 VanDerWaalsContact C-N 3.31Å; R726-T728 PolarHBondContact O-N 2.99Å; T728-L730 VanDerWaalsContact C-N 3.26Å; T728-L730 PolarHBondContact O-N 2.83Å; T728-G731 PolarHBondContact O-N 2.92Å
729	L	91.1	Very high	91.5	Very high	35 Å²	35	13.6 Å²	13.6	18%	0.183	7%	0.074	C	C	.	.	H	α-helix	trans	-68.8	-22.9	176.6	-75	154	0	0	0	113.2	Y526 F608 P610 E614 E725 R726 G731	Y526-L729 HydrophobicContact CE1-CD1 4.01Å; Y526-L729 HydrophobicContact CE2-CD2 4.16Å; Y526-L729 WeakPolarHBondContact OH-CG 3.17Å; F608-L729 HydrophobicContact CE1-CD1 3.58Å; F608-L729 HydrophobicContact CZ-CD1 3.65Å; P610-L729 HydrophobicContact CB-CD1 3.76Å; E614-L729 HydrophobicContact CB-CD2 4.39Å; E614-L729 HydrophobicContact CG-CD2 4.06Å; E725-L729 WeakPolarHBondContact O-CD1 3.46Å; E725-L729 PolarHBondContact O-N 3.2Å; R726-L729 PolarHBondContact O-N 3.21Å; L729-G731 PolarHBondContact O-N 3.17Å
730	L	90.4	Very high	91.6	Very high	57 Å²	57	14.8 Å²	14.8	30%	0.298	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	7.1	170.7	-68.4	174.8	0	0	0	113.5	L702 R726 L727 T728 I732 L1043 L1045	L702-L730 HydrophobicContact CD1-CD1 4.22Å; L702-L730 HydrophobicContact CD2-CD1 3.92Å; R726-L730 VanDerWaalsContact O-CG 3.25Å; R726-L730 WeakPolarHBondContact O-CG 3.45Å; R726-L730 PolarHBondContact O-N 3.03Å; L727-L730 CarbonylContact O-C 3.54Å; L727-L730 PolarHBondContact O-N 2.95Å; T728-L730 VanDerWaalsContact C-N 3.26Å; T728-L730 PolarHBondContact O-N 2.83Å; L730-I732 VanDerWaalsContact C-N 3.32Å; L730-I732 PolarHBondContact O-N 3.03Å; L730-L1043 HydrophobicContact CD2-CD1 4.18Å; L730-L1045 HydrophobicContact CD1-CD2 4.35Å; L730-L1045 HydrophobicContact CD2-CD2 3.55Å
731	G	91.9	Very high	92	Very high	4 Å²	4	14.6 Å²	14.6	4%	0.041	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	17.4	-179.9	0	0	0	0	0	114.7	L727 T728 L729 P733 I839	L727-G731 PolarHBondContact O-N 2.75Å; T728-G731 PolarHBondContact O-N 2.92Å; L729-G731 PolarHBondContact O-N 3.17Å; G731-P733 VanDerWaalsContact O-CD 3.23Å; G731-P733 WeakPolarHBondContact O-CD 3.35Å; G731-I839 WeakPolarHBondContact O-CD1 3.13Å
732	I	93.8	Very high	92	Very high	19 Å²	19	18 Å²	18	10%	0.097	10%	0.102	C	C	.	.			trans	-118.3	73.7	178.5	-58.6	168.2	0	0	0	108.3	P627 L702 M709 L727 L730 P734	P627-I732 HydrophobicContact CG-CG2 3.71Å; L702-I732 HydrophobicContact CD1-CD1 3.87Å; L702-I732 HydrophobicContact CG-CD1 4.48Å; M709-I732 HydrophobicContact CE-CG2 4.05Å; M709-I732 HydrophobicContact SD-CG2 3.7Å; L727-I732 CarbonylContact C-O 3.57Å; L727-I732 HydrophobicContact CD2-CB 4.29Å; L727-I732 HydrophobicContact CD2-CG2 4.29Å; L727-I732 CarbonylContact O-C 3.39Å; L727-I732 WeakPolarHBondContact O-CA 3.37Å; L727-I732 PolarHBondContact O-N 2.85Å; L730-I732 VanDerWaalsContact C-N 3.32Å; L730-I732 PolarHBondContact O-N 3.03Å; I732-P734 WeakPolarHBondContact O-CD 3.41Å
733	P	94.4	Very high	92.3	Very high	8 Å²	8	17.9 Å²	17.9	5%	0.052	10%	0.103	C	C	.	.			trans	-72.5	109.9	-176.4	28.3	-34.5	0	0	0	111.2	F622 R626 G731 V837	F622-P733 HydrophobicContact CD2-CG 3.99Å; F622-P733 HydrophobicContact CE2-CG 3.97Å; R626-P733 PolarHBondContact NE-O 2.58Å; R626-P733 PolarHBondContact NH2-O 3.15Å; G731-P733 VanDerWaalsContact O-CD 3.23Å; G731-P733 WeakPolarHBondContact O-CD 3.35Å; P733-V837 HydrophobicContact CB-CG1 3.78Å; P733-V837 HydrophobicContact CG-CG1 3.45Å; P733-V837 VanDerWaalsContact CG-CG1 3.45Å
734	P	97	Very high	92.5	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.026	12%	0.121	C	C	.	.			trans	-70.8	159.8	179.2	31.5	-34.5	0	0	0	111.6	R626 P627 V629 I724 I732 V736	R626-P734 PolarHBondContact NH2-O 2.79Å; P627-P734 HydrophobicContact CB-CB 4.27Å; P627-P734 CarbonylContact O-C 3.53Å; P627-P734 VanDerWaalsContact O-CA 3.27Å; P627-P734 WeakPolarHBondContact O-CA 3.33Å; V629-P734 HydrophobicContact CG2-CB 4.33Å; I724-P734 HydrophobicContact CB-CG 4.43Å; I724-P734 HydrophobicContact CG1-CG 4.32Å; I724-P734 HydrophobicContact CG2-CG 3.8Å; I732-P734 WeakPolarHBondContact O-CD 3.41Å; P734-V736 HydrophobicContact CB-CG2 4.15Å; P734-V736 HydrophobicContact CG-CG2 3.82Å
735	I	97.8	Very high	92.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.7	162	-60.7	169.7	0	0	0	106.1	R626 P627 V628 V629 I737 I829 Q832 Q833	R626-I735 HydrophobicContact CB-CD1 3.99Å; R626-I735 HydrophobicContact CB-CG1 3.91Å; P627-I735 PolarHBondContact O-N 2.94Å; V628-I735 CarbonylContact C-O 3.41Å; V628-I735 VanDerWaalsContact CA-O 3.3Å; V628-I735 WeakPolarHBondContact CA-O 3.31Å; V628-I735 HydrophobicContact CG2-CB 4.28Å; V628-I735 HydrophobicContact CG2-CD1 4.4Å; V629-I735 PolarHBondContact N-O 3.27Å; I735-I737 HydrophobicContact CG2-CD1 4.03Å; I735-I737 HydrophobicContact CG2-CG1 3.95Å; I735-I829 HydrophobicContact CD1-CG2 4.33Å; I735-Q832 HydrophobicContact CB-CB 4.46Å; I735-Q832 HydrophobicContact CD1-CB 4Å; I735-Q832 HydrophobicContact CG1-CB 3.99Å; I735-Q832 HydrophobicContact CG2-CB 3.66Å; I735-Q832 HydrophobicContact CG2-CG 4.11Å; I735-Q833 HydrophobicContact CD1-CB 4.15Å
736	V	97	Very high	92.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.2	-173	-176.4	0	0	0	0	109.1	V629 F631 I724 P734 V799 T801 D802	V629-V736 HydrophobicContact CB-CG1 4.39Å; V629-V736 HydrophobicContact CB-CG2 4.32Å; V629-V736 WeakPolarHBondContact O-CA 3.2Å; F631-V736 HydrophobicContact CD2-CG1 3.71Å; F631-V736 HydrophobicContact CE2-CG1 3.57Å; I724-V736 HydrophobicContact CD1-CG1 4.03Å; I724-V736 HydrophobicContact CD1-CG2 3.95Å; I724-V736 HydrophobicContact CG1-CG2 4.35Å; I724-V736 HydrophobicContact CG2-CG2 4.06Å; P734-V736 HydrophobicContact CB-CG2 4.15Å; P734-V736 HydrophobicContact CG-CG2 3.82Å; V736-V799 WeakPolarHBondContact CB-O 3.17Å; V736-V799 VanDerWaalsContact CG1-O 3.25Å; V736-V799 WeakPolarHBondContact CG1-O 3.38Å; V736-V799 WeakPolarHBondContact CG2-O 3.46Å; V736-T801 HydrophobicContact CB-CG2 4.3Å; V736-T801 HydrophobicContact CG2-CG2 4.5Å; V736-T801 PolarHBondContact N-OG1 2.86Å; V736-T801 PolarHBondContact O-N 3.07Å; V736-T801 PolarHBondContact O-OG1 3.1Å; V736-T801 VanDerWaalsContact O-OG1 3.12Å; V736-D802 PolarHBondContact O-N 2.8Å
737	I	96.8	Very high	92.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.1	-171.3	-60.6	176.5	0	0	0	110	V629 I630 F631 I735 D802 V804 L825 V828 I829	V629-I737 PolarHBondContact O-N 2.83Å; I630-I737 WeakPolarHBondContact CA-O 3.44Å; F631-I737 PolarHBondContact N-O 3.09Å; I735-I737 HydrophobicContact CG2-CD1 4.03Å; I735-I737 HydrophobicContact CG2-CG1 3.95Å; I737-D802 WeakPolarHBondContact CA-O 3.49Å; I737-V804 HydrophobicContact CG2-CB 4.2Å; I737-V804 HydrophobicContact CG2-CG2 3.6Å; I737-L825 HydrophobicContact CD1-CD1 3.69Å; I737-L825 HydrophobicContact CG2-CD1 3.97Å; I737-V828 HydrophobicContact CD1-CG1 3.81Å; I737-V828 HydrophobicContact CG1-CG1 4.26Å; I737-I829 HydrophobicContact CD1-CD1 4.25Å; I737-I829 HydrophobicContact CD1-CG1 3.43Å; I737-I829 VanDerWaalsContact CD1-CG1 3.43Å
738	L	95.1	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.9	167.4	177.1	65.3	0	0	0	110.2	F631 N740 V789 L792 R793 I800 D802 T803 V804	F631-L738 HydrophobicContact CB-CD1 4.04Å; L738-N740 HydrophobicContact CG-CB 4.48Å; L738-N740 PolarHBondContact O-N 3.38Å; L738-V789 HydrophobicContact CD1-CG2 4.37Å; L738-V789 HydrophobicContact CD2-CG1 4.48Å; L738-L792 HydrophobicContact CD1-CD1 4.13Å; L738-R793 HydrophobicContact CD2-CG 3.55Å; L738-I800 HydrophobicContact CB-CD1 4.09Å; L738-I800 HydrophobicContact CB-CG2 4.12Å; L738-I800 HydrophobicContact CD2-CD1 3.92Å; L738-D802 PolarHBondContact N-O 3.25Å; L738-T803 HydrophobicContact CB-CG2 4.26Å; L738-T803 CarbonylContact O-C 3.52Å; L738-T803 VanDerWaalsContact O-CA 3.28Å; L738-T803 WeakPolarHBondContact O-CA 3.41Å; L738-V804 PolarHBondContact O-N 2.93Å
739	I	93.4	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	112.6	165.4	-61.8	174	0	0	0	107.4	I630 F631 P633 L634 A638 P741 V804 L806 W821	I630-I739 HydrophobicContact CG2-CD1 3.66Å; I630-I739 HydrophobicContact CG2-CG1 3.97Å; F631-I739 PolarHBondContact O-N 2.86Å; P633-I739 WeakPolarHBondContact CD-O 3.43Å; P633-I739 WeakPolarHBondContact O-CB 3.33Å; P633-I739 VanDerWaalsContact O-CD1 3.27Å; P633-I739 WeakPolarHBondContact O-CD1 3.33Å; P633-I739 VanDerWaalsContact O-CG2 3.3Å; P633-I739 WeakPolarHBondContact O-CG2 3.38Å; L634-I739 HydrophobicContact CB-CD1 4.35Å; A638-I739 HydrophobicContact CB-CD1 4.15Å; I739-P741 WeakPolarHBondContact O-CD 3.45Å; I739-V804 WeakPolarHBondContact CA-O 3.49Å; I739-L806 HydrophobicContact CG2-CD1 3.86Å; I739-L806 HydrophobicContact CG2-CD2 3.76Å; I739-L806 HydrophobicContact CG2-CG 3.7Å; I739-W821 HydrophobicContact CD1-CZ3 4.08Å
740	N	91.1	Very high	92.1	Very high	31 Å²	31	31.1 Å²	31.1	17%	0.166	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	102.3	-166.4	-172.2	31.7	0	0	0	111.2	L738 R793 V804 P805 L806	L738-N740 HydrophobicContact CG-CB 4.48Å; L738-N740 PolarHBondContact O-N 3.38Å; N740-R793 PolarHBondContact OD1-NH1 3.44Å; N740-V804 PolarHBondContact N-O 2.82Å; N740-P805 WeakPolarHBondContact O-CA 3.4Å; N740-L806 PolarHBondContact O-N 2.57Å; N740-L806 VanDerWaalsContact O-N 3.14Å
741	P	90.4	Very high	92	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.			trans	-65.7	138.6	168.5	25.4	-32.7	0	0	0	111.4	P633 I739 S743 Q746 L747 W786 V789 L806	P633-P741 HydrophobicContact CG-CG 4.08Å; I739-P741 WeakPolarHBondContact O-CD 3.45Å; P741-S743 VanDerWaalsContact C-N 3.29Å; P741-S743 PolarHBondContact O-N 2.89Å; P741-Q746 VanDerWaalsContact CA-OE1 3.28Å; P741-L747 HydrophobicContact CB-CB 4.09Å; P741-L747 HydrophobicContact CG-CB 4.48Å; P741-L747 HydrophobicContact CG-CD2 4.49Å; P741-W786 HydrophobicContact CB-CZ3 4.18Å; P741-W786 HydrophobicContact CG-CE3 3.93Å; P741-W786 HydrophobicContact CG-CZ3 3.84Å; P741-V789 HydrophobicContact CG-CG1 4.49Å; P741-V789 HydrophobicContact CG-CG2 4.3Å; P741-L806 HydrophobicContact CB-CD1 3.98Å
742	S	86.1	Confident	91.8	Very high	82 Å²	82	32.8 Å²	32.8	57%	0.573	16%	0.164	S	C	*	.	S	Bend	trans	-70.5	-23.9	178.3	-50.5	0	0	0	0	113.3	Q746	S742-Q746 PolarHBondContact OG-NE2 3.43Å
743	S	89.4	Confident	91.4	Very high	46 Å²	46	33.4 Å²	33.4	32%	0.322	17%	0.167	S	C	.	.			trans	-159.7	159	175.4	64.7	0	0	0	0	111.9	P741 Y745 Q746 L747 W786	P741-S743 VanDerWaalsContact C-N 3.29Å; P741-S743 PolarHBondContact O-N 2.89Å; S743-Y745 PolarHBondContact O-N 3.46Å; S743-Q746 WeakPolarHBondContact O-CB 3.44Å; S743-Q746 PolarHBondContact O-N 3.45Å; S743-Q746 VanDerWaalsContact O-N 3.09Å; S743-Q746 PolarHBondContact OG-N 3.27Å; S743-Q746 VanDerWaalsContact OG-N 3.08Å; S743-L747 PolarHBondContact O-N 3.06Å; S743-L747 VanDerWaalsContact O-N 3.1Å; S743-W786 VanDerWaalsContact CA-CH2 3.5Å
744	E	91.3	Very high	91	Very high	80 Å²	80	33.4 Å²	33.4	37%	0.374	17%	0.166	S	C	.	.	H	α-helix	trans	-54.8	-37.9	170.8	-167.8	-159.7	164.4	0	0	111	L747 K748 V782 W786	E744-L747 PolarHBondContact O-N 3.03Å; E744-K748 WeakPolarHBondContact O-CB 3.25Å; E744-K748 PolarHBondContact O-N 2.73Å; E744-V782 HydrophobicContact CG-CG1 3.3Å; E744-V782 WeakPolarHBondContact OE1-CG1 3.32Å; E744-W786 HydrophobicContact CB-CD2 3.9Å; E744-W786 HydrophobicContact CB-CE3 4.3Å; E744-W786 HydrophobicContact CB-CG 4.11Å; E744-W786 HydrophobicContact CG-CB 4.33Å; E744-W786 HydrophobicContact CG-CD2 4.38Å; E744-W786 HydrophobicContact CG-CG 4.09Å; E744-W786 VanDerWaalsContact N-CZ3 3.35Å
745	Y	90.6	Very high	90.4	Very high	169 Å²	169	36.2 Å²	36.2	66%	0.663	18%	0.176	S	C	*	.	H	α-helix	trans	-62.9	-44	175.7	-179.5	-96.8	0	0	0	112.7	S743 L747 K748 V749	S743-Y745 PolarHBondContact O-N 3.46Å; Y745-L747 VanDerWaalsContact C-N 3.34Å; Y745-L747 PolarHBondContact O-N 3.27Å; Y745-K748 WeakPolarHBondContact O-CB 3.45Å; Y745-K748 PolarHBondContact O-N 2.73Å; Y745-V749 HydrophobicContact CD1-CG2 4.17Å; Y745-V749 HydrophobicContact CE1-CG2 3.67Å; Y745-V749 HydrophobicContact CE2-CG2 4.19Å; Y745-V749 WeakPolarHBondContact O-CG2 3.14Å; Y745-V749 PolarHBondContact O-N 3.14Å
746	Q	88.6	Confident	89.7	Confident	15 Å²	15	43.2 Å²	43.2	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-45.8	176.5	-170.1	-160.2	58.5	0	0	110.7	P741 S742 S743 K748 V749 L750 L806 N808	P741-Q746 VanDerWaalsContact CA-OE1 3.28Å; S742-Q746 PolarHBondContact OG-NE2 3.43Å; S743-Q746 WeakPolarHBondContact O-CB 3.44Å; S743-Q746 PolarHBondContact O-N 3.45Å; S743-Q746 VanDerWaalsContact O-N 3.09Å; S743-Q746 PolarHBondContact OG-N 3.27Å; S743-Q746 VanDerWaalsContact OG-N 3.08Å; Q746-K748 VanDerWaalsContact C-N 3.34Å; Q746-K748 PolarHBondContact O-N 3.49Å; Q746-V749 PolarHBondContact O-N 2.81Å; Q746-L750 WeakPolarHBondContact O-CB 3.32Å; Q746-L750 PolarHBondContact O-N 3.39Å; Q746-L806 PolarHBondContact NE2-O 3.11Å; Q746-N808 PolarHBondContact NE2-OD1 3.41Å
747	L	90.4	Very high	88.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-43.5	175.5	179.4	58.4	0	0	0	111.9	P633 P741 S743 E744 Y745 V749 L750 L751 V782 L785 W786	P633-L747 HydrophobicContact CB-CD1 3.61Å; P633-L747 HydrophobicContact CG-CD1 3.56Å; P633-L747 HydrophobicContact CG-CD2 4.15Å; P741-L747 HydrophobicContact CB-CB 4.09Å; P741-L747 HydrophobicContact CG-CB 4.48Å; P741-L747 HydrophobicContact CG-CD2 4.49Å; S743-L747 PolarHBondContact O-N 3.06Å; S743-L747 VanDerWaalsContact O-N 3.1Å; E744-L747 PolarHBondContact O-N 3.03Å; Y745-L747 VanDerWaalsContact C-N 3.34Å; Y745-L747 PolarHBondContact O-N 3.27Å; L747-V749 VanDerWaalsContact C-N 3.35Å; L747-V749 PolarHBondContact O-N 3.1Å; L747-L750 PolarHBondContact O-N 3.05Å; L747-L751 HydrophobicContact CD1-CD1 3.83Å; L747-L751 HydrophobicContact CD1-CG 3.94Å; L747-L751 HydrophobicContact CG-CD1 4Å; L747-L751 HydrophobicContact CG-CG 4.46Å; L747-L751 WeakPolarHBondContact O-CB 3.43Å; L747-L751 WeakPolarHBondContact O-CG 3.2Å; L747-L751 PolarHBondContact O-N 3.44Å; L747-V782 HydrophobicContact CD2-CG1 4.45Å; L747-V782 HydrophobicContact CG-CG2 4.45Å; L747-L785 HydrophobicContact CD2-CB 3.99Å; L747-W786 HydrophobicContact CD2-CB 4.21Å
748	K	91.2	Very high	87.9	Confident	86 Å²	86	53.9 Å²	53.9	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-37.3	176.5	-174	176.3	-174.1	171.3	0	113.2	E744 Y745 Q746 K752 V782	E744-K748 WeakPolarHBondContact O-CB 3.25Å; E744-K748 PolarHBondContact O-N 2.73Å; Y745-K748 WeakPolarHBondContact O-CB 3.45Å; Y745-K748 PolarHBondContact O-N 2.73Å; Q746-K748 VanDerWaalsContact C-N 3.34Å; Q746-K748 PolarHBondContact O-N 3.49Å; K748-K752 WeakPolarHBondContact O-CB 3.31Å; K748-K752 VanDerWaalsContact O-CG 3.22Å; K748-K752 WeakPolarHBondContact O-CG 3.42Å; K748-K752 PolarHBondContact O-N 3.12Å; K748-K752 VanDerWaalsContact O-N 3.16Å; K748-V782 HydrophobicContact CB-CG1 4.23Å; K748-V782 HydrophobicContact CB-CG2 3.77Å; K748-V782 HydrophobicContact CG-CG2 4.16Å
749	V	88.4	Confident	87.1	Confident	47 Å²	47	59.8 Å²	59.8	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-69.8	-44.4	175	168.7	0	0	0	0	110.8	Y745 Q746 L747 K752 H753 I809	Y745-V749 HydrophobicContact CD1-CG2 4.17Å; Y745-V749 HydrophobicContact CE1-CG2 3.67Å; Y745-V749 HydrophobicContact CE2-CG2 4.19Å; Y745-V749 WeakPolarHBondContact O-CG2 3.14Å; Y745-V749 PolarHBondContact O-N 3.14Å; Q746-V749 PolarHBondContact O-N 2.81Å; L747-V749 VanDerWaalsContact C-N 3.35Å; L747-V749 PolarHBondContact O-N 3.1Å; V749-K752 WeakPolarHBondContact O-CB 3.16Å; V749-K752 PolarHBondContact O-N 2.89Å; V749-H753 PolarHBondContact O-N 2.84Å; V749-I809 HydrophobicContact CG1-CD1 3.75Å; V749-I809 HydrophobicContact CG1-CG1 4.37Å
750	L	88.2	Confident	86.4	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-48.2	178.1	179.6	62	0	0	0	112.7	L634 Q746 L747 K752 H753 Y754 L806 F816	L634-L750 HydrophobicContact CD1-CD2 4.1Å; L634-L750 HydrophobicContact CG-CD2 4.38Å; Q746-L750 WeakPolarHBondContact O-CB 3.32Å; Q746-L750 PolarHBondContact O-N 3.39Å; L747-L750 PolarHBondContact O-N 3.05Å; L750-K752 VanDerWaalsContact C-N 3.29Å; L750-K752 PolarHBondContact O-N 3.04Å; L750-H753 WeakPolarHBondContact O-CB 3.4Å; L750-H753 PolarHBondContact O-N 2.66Å; L750-Y754 HydrophobicContact CD1-CD2 4.15Å; L750-Y754 HydrophobicContact CD1-CE2 3.87Å; L750-Y754 HydrophobicContact CG-CD2 4.37Å; L750-Y754 HydrophobicContact CG-CE2 4.4Å; L750-Y754 WeakPolarHBondContact O-CD2 3.38Å; L750-Y754 PolarHBondContact O-N 2.87Å; L750-Y754 VanDerWaalsContact O-N 3.09Å; L750-L806 HydrophobicContact CD2-CD1 3.65Å; L750-L806 HydrophobicContact CD2-CD2 4Å; L750-L806 HydrophobicContact CD2-CG 4.35Å; L750-F816 HydrophobicContact CD1-CB 4.35Å; L750-F816 HydrophobicContact CD1-CD1 3.67Å; L750-F816 HydrophobicContact CD1-CD2 3.64Å; L750-F816 HydrophobicContact CD1-CE1 3.7Å; L750-F816 HydrophobicContact CD1-CE2 3.69Å; L750-F816 HydrophobicContact CD1-CG 3.62Å; L750-F816 HydrophobicContact CD1-CZ 3.71Å
751	L	89.3	Confident	86	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-30.4	177.5	-65.8	176.7	0	0	0	112	L747 W755 A763 L764 I778 M781 V782 L785	L747-L751 HydrophobicContact CD1-CD1 3.83Å; L747-L751 HydrophobicContact CD1-CG 3.94Å; L747-L751 HydrophobicContact CG-CD1 4Å; L747-L751 HydrophobicContact CG-CG 4.46Å; L747-L751 WeakPolarHBondContact O-CB 3.43Å; L747-L751 WeakPolarHBondContact O-CG 3.2Å; L747-L751 PolarHBondContact O-N 3.44Å; L751-W755 VanDerWaalsContact O-CB 3.25Å; L751-W755 WeakPolarHBondContact O-CB 3.43Å; L751-W755 PolarHBondContact O-N 3.41Å; L751-A763 VanDerWaalsContact CD2-O 3.3Å; L751-A763 WeakPolarHBondContact CD2-O 3.35Å; L751-L764 HydrophobicContact CB-CD2 4.5Å; L751-L764 HydrophobicContact CD2-CD2 4.13Å; L751-I778 HydrophobicContact CB-CG2 4.42Å; L751-M781 HydrophobicContact CD1-CB 4.11Å; L751-V782 HydrophobicContact CD1-CG2 3.85Å; L751-L785 HydrophobicContact CD1-CD1 3.97Å
752	K	88.4	Confident	85.6	Confident	96 Å²	96	66.2 Å²	66.2	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-42.4	169.8	-84	177.8	175.2	-170.4	0	112.5	K748 V749 L750 W755 Q756 I778	K748-K752 WeakPolarHBondContact O-CB 3.31Å; K748-K752 VanDerWaalsContact O-CG 3.22Å; K748-K752 WeakPolarHBondContact O-CG 3.42Å; K748-K752 PolarHBondContact O-N 3.12Å; K748-K752 VanDerWaalsContact O-N 3.16Å; V749-K752 WeakPolarHBondContact O-CB 3.16Å; V749-K752 PolarHBondContact O-N 2.89Å; L750-K752 VanDerWaalsContact C-N 3.29Å; L750-K752 PolarHBondContact O-N 3.04Å; K752-W755 PolarHBondContact O-N 3.2Å; K752-Q756 VanDerWaalsContact O-CG 3.28Å; K752-Q756 WeakPolarHBondContact O-CG 3.43Å; K752-Q756 PolarHBondContact O-N 3.22Å; K752-I778 HydrophobicContact CG-CD1 3.84Å; K752-I778 HydrophobicContact CG-CG2 4.26Å
753	H	84.7	Confident	85.4	Confident	32 Å²	32	62.4 Å²	62.4	15%	0.148	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-55.6	174.8	179.7	98.2	0	0	0	109.6	V749 L750 W755 Q756 F757 I809	V749-H753 PolarHBondContact O-N 2.84Å; L750-H753 WeakPolarHBondContact O-CB 3.4Å; L750-H753 PolarHBondContact O-N 2.66Å; H753-W755 VanDerWaalsContact C-N 3.32Å; H753-W755 PolarHBondContact O-N 3.42Å; H753-Q756 PolarHBondContact O-N 3.15Å; H753-F757 AromaticContact CD2-CD2 3.77Å; H753-F757 AromaticContact CE1-CD2 3.5Å; H753-F757 AromaticContact CE1-CE2 3.27Å; H753-F757 WeakPolarHBondContact CE1-CE2 3.45Å; H753-F757 AromaticContact CG-CD2 3.82Å; H753-F757 AromaticContact ND1-CD2 3.67Å; H753-F757 AromaticContact ND1-CE2 3.4Å; H753-F757 WeakPolarHBondContact ND1-CE2 3.5Å; H753-F757 AromaticContact NE2-CD2 3.57Å; H753-F757 AromaticContact NE2-CE2 3.84Å; H753-F757 VanDerWaalsContact O-CD2 3.3Å; H753-F757 WeakPolarHBondContact O-CD2 3.15Å; H753-F757 PolarHBondContact O-N 3.04Å; H753-I809 HydrophobicContact CB-CD1 4.3Å
754	Y	85.5	Confident	85	Confident	7 Å²	7	61 Å²	61	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-56.7	-41.4	176.1	-83.4	-68.3	0	0	0	113.9	L634 L637 L750 Q756 F757 N758 S761 A763 F816 E818	L634-Y754 HydrophobicContact CD1-CE2 4.31Å; L634-Y754 HydrophobicContact CD2-CD2 4.14Å; L634-Y754 HydrophobicContact CD2-CE2 3.8Å; L637-Y754 HydrophobicContact CD2-CE1 4.02Å; L637-Y754 WeakPolarHBondContact CD2-OH 3.43Å; L750-Y754 HydrophobicContact CD1-CD2 4.15Å; L750-Y754 HydrophobicContact CD1-CE2 3.87Å; L750-Y754 HydrophobicContact CG-CD2 4.37Å; L750-Y754 HydrophobicContact CG-CE2 4.4Å; L750-Y754 WeakPolarHBondContact O-CD2 3.38Å; L750-Y754 PolarHBondContact O-N 2.87Å; L750-Y754 VanDerWaalsContact O-N 3.09Å; Y754-Q756 VanDerWaalsContact C-N 3.27Å; Y754-Q756 PolarHBondContact O-N 2.85Å; Y754-F757 PolarHBondContact O-N 2.83Å; Y754-N758 CarbonylContact O-C 3.58Å; Y754-N758 PolarHBondContact O-N 3.13Å; Y754-S761 WeakPolarHBondContact CD1-OG 3.41Å; Y754-A763 HydrophobicContact CD1-CB 3.51Å; Y754-A763 HydrophobicContact CD2-CB 3.51Å; Y754-A763 HydrophobicContact CE1-CB 3.8Å; Y754-A763 HydrophobicContact CE2-CB 3.79Å; Y754-A763 HydrophobicContact CG-CB 3.35Å; Y754-F816 HydrophobicContact CE2-CD1 4.15Å; Y754-F816 HydrophobicContact CE2-CE1 4.05Å; Y754-E818 WeakPolarHBondContact CE1-OE1 3.33Å; Y754-E818 VanDerWaalsContact CZ-OE1 3.31Å; Y754-E818 VanDerWaalsContact OH-CD 3.28Å; Y754-E818 VanDerWaalsContact OH-CG 3.27Å; Y754-E818 WeakPolarHBondContact OH-CG 3.07Å; Y754-E818 PolarHBondContact OH-OE1 3.25Å
755	W	85.1	Confident	84.2	Confident	64 Å²	64	61.5 Å²	61.5	24%	0.242	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-29.5	177.6	-169.7	-83.5	0	0	0	113.9	L751 K752 H753 K759 L764 R775 I778 M781	L751-W755 VanDerWaalsContact O-CB 3.25Å; L751-W755 WeakPolarHBondContact O-CB 3.43Å; L751-W755 PolarHBondContact O-N 3.41Å; K752-W755 PolarHBondContact O-N 3.2Å; H753-W755 VanDerWaalsContact C-N 3.32Å; H753-W755 PolarHBondContact O-N 3.42Å; W755-K759 WeakPolarHBondContact O-CG 3.31Å; W755-L764 HydrophobicContact CB-CD1 4.42Å; W755-L764 HydrophobicContact CE3-CD1 4.03Å; W755-L764 HydrophobicContact CE3-CD2 4.49Å; W755-R775 HydrophobicContact CH2-CG 4.18Å; W755-R775 VanDerWaalsContact CZ3-NH2 3.34Å; W755-I778 HydrophobicContact CB-CD1 3.9Å; W755-I778 HydrophobicContact CD2-CD1 3.96Å; W755-I778 HydrophobicContact CD2-CG1 3.97Å; W755-I778 HydrophobicContact CE3-CD1 4.41Å; W755-I778 HydrophobicContact CE3-CG1 3.95Å; W755-I778 HydrophobicContact CG-CD1 3.71Å; W755-I778 HydrophobicContact CG-CG1 4.24Å; W755-I778 HydrophobicContact CZ3-CG1 4.38Å; W755-M781 HydrophobicContact CE3-CE 3.59Å; W755-M781 HydrophobicContact CZ3-CE 3.62Å; W755-M781 HydrophobicContact CZ3-SD 4.36Å
756	Q	82.4	Confident	83.3	Confident	147 Å²	147	54 Å²	54	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-80.2	-46.7	176.9	-72.6	171.1	-1.7	0	0	111.6	K752 H753 Y754	K752-Q756 VanDerWaalsContact O-CG 3.28Å; K752-Q756 WeakPolarHBondContact O-CG 3.43Å; K752-Q756 PolarHBondContact O-N 3.22Å; H753-Q756 PolarHBondContact O-N 3.15Å; Y754-Q756 VanDerWaalsContact C-N 3.27Å; Y754-Q756 PolarHBondContact O-N 2.85Å
757	F	76.7	Confident	81.9	Confident	150 Å²	150	56 Å²	56	66%	0.658	28%	0.276	S	S	*	.	H	α-helix	trans	-80.9	-41.5	-175.2	-75.4	-79.2	0	0	0	113.7	H753 Y754	H753-F757 AromaticContact CD2-CD2 3.77Å; H753-F757 AromaticContact CE1-CD2 3.5Å; H753-F757 AromaticContact CE1-CE2 3.27Å; H753-F757 WeakPolarHBondContact CE1-CE2 3.45Å; H753-F757 AromaticContact CG-CD2 3.82Å; H753-F757 AromaticContact ND1-CD2 3.67Å; H753-F757 AromaticContact ND1-CE2 3.4Å; H753-F757 WeakPolarHBondContact ND1-CE2 3.5Å; H753-F757 AromaticContact NE2-CD2 3.57Å; H753-F757 AromaticContact NE2-CE2 3.84Å; H753-F757 VanDerWaalsContact O-CD2 3.3Å; H753-F757 WeakPolarHBondContact O-CD2 3.15Å; H753-F757 PolarHBondContact O-N 3.04Å; Y754-F757 PolarHBondContact O-N 2.83Å
758	N	78.7	Confident	80.3	Confident	74 Å²	74	58.4 Å²	58.4	40%	0.396	29%	0.292	S	S	.	.			trans	-149.9	98	-179.4	-176.6	0.4	0	0	0	112.5	Y754 T760 S761	Y754-N758 CarbonylContact O-C 3.58Å; Y754-N758 PolarHBondContact O-N 3.13Å; N758-T760 PolarHBondContact O-N 3.5Å; N758-T760 VanDerWaalsContact O-N 3.17Å; N758-T760 PolarHBondContact OD1-N 2.67Å; N758-T760 PolarHBondContact OD1-OG1 3.33Å; N758-S761 VanDerWaalsContact O-CB 3.25Å; N758-S761 WeakPolarHBondContact O-CB 3.14Å; N758-S761 PolarHBondContact O-N 2.74Å; N758-S761 PolarHBondContact OD1-N 3.16Å
759	K	79.2	Confident	78.5	Confident	125 Å²	125	58.6 Å²	58.6	54%	0.543	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.8	177.6	-69.3	179.9	-177.4	172.6	0	114.8	W755 R775	W755-K759 WeakPolarHBondContact O-CG 3.31Å; K759-R775 VanDerWaalsContact O-CZ 3.25Å; K759-R775 PolarHBondContact O-NH1 2.87Å; K759-R775 PolarHBondContact O-NH2 3.3Å
760	T	79.1	Confident	76.6	Confident	125 Å²	125	60.4 Å²	60.4	77%	0.767	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	9.7	173.6	60.5	0	0	0	0	112.5	N758 S762	N758-T760 PolarHBondContact O-N 3.5Å; N758-T760 VanDerWaalsContact O-N 3.17Å; N758-T760 PolarHBondContact OD1-N 2.67Å; N758-T760 PolarHBondContact OD1-OG1 3.33Å; T760-S762 PolarHBondContact O-N 3.44Å
761	S	83.1	Confident	74.8	Confident	14 Å²	14	66 Å²	66	10%	0.098	34%	0.341	C	S	.	.			trans	-64.5	133.2	174.7	-178.7	0	0	0	0	111.8	Y754 N758 A763 L764	Y754-S761 WeakPolarHBondContact CD1-OG 3.41Å; N758-S761 VanDerWaalsContact O-CB 3.25Å; N758-S761 WeakPolarHBondContact O-CB 3.14Å; N758-S761 PolarHBondContact O-N 2.74Å; N758-S761 PolarHBondContact OD1-N 3.16Å; S761-A763 PolarHBondContact O-N 3.48Å; S761-A763 VanDerWaalsContact OG-CB 3.31Å; S761-A763 WeakPolarHBondContact OG-CB 3.23Å; S761-A763 PolarHBondContact OG-N 2.86Å; S761-L764 WeakPolarHBondContact O-CB 3.24Å; S761-L764 PolarHBondContact O-N 2.74Å
762	S	81	Confident	73.2	Confident	26 Å²	26	68.2 Å²	68.2	18%	0.182	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-59.7	-13.1	171.6	-45.6	0	0	0	0	113.7	Q640 T760 L764 F765	Q640-S762 PolarHBondContact NE2-OG 3.44Å; Q640-S762 PolarHBondContact OE1-OG 3.35Å; T760-S762 PolarHBondContact O-N 3.44Å; S762-L764 PolarHBondContact O-N 2.72Å; S762-F765 WeakPolarHBondContact O-CB 3.45Å; S762-F765 PolarHBondContact O-N 2.97Å
763	A	82	Confident	71.6	Confident	2 Å²	2	76 Å²	76	2%	0.017	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-57.6	-24.7	165.7	0	0	0	0	0	113.8	L634 L637 L751 Y754 S761	L634-A763 HydrophobicContact CD2-CB 3.44Å; L634-A763 VanDerWaalsContact CD2-CB 3.44Å; L637-A763 HydrophobicContact CD2-CB 4.12Å; L751-A763 VanDerWaalsContact CD2-O 3.3Å; L751-A763 WeakPolarHBondContact CD2-O 3.35Å; Y754-A763 HydrophobicContact CD1-CB 3.51Å; Y754-A763 HydrophobicContact CD2-CB 3.51Å; Y754-A763 HydrophobicContact CE1-CB 3.8Å; Y754-A763 HydrophobicContact CE2-CB 3.79Å; Y754-A763 HydrophobicContact CG-CB 3.35Å; S761-A763 PolarHBondContact O-N 3.48Å; S761-A763 VanDerWaalsContact OG-CB 3.31Å; S761-A763 WeakPolarHBondContact OG-CB 3.23Å; S761-A763 PolarHBondContact OG-N 2.86Å
764	L	81.8	Confident	70.6	Confident	17 Å²	17	79.4 Å²	79.4	9%	0.089	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-101	11.1	-176	-50.9	175.8	0	0	0	112.3	L751 W755 S761 S762 M781	L751-L764 HydrophobicContact CB-CD2 4.5Å; L751-L764 HydrophobicContact CD2-CD2 4.13Å; W755-L764 HydrophobicContact CB-CD1 4.42Å; W755-L764 HydrophobicContact CE3-CD1 4.03Å; W755-L764 HydrophobicContact CE3-CD2 4.49Å; S761-L764 WeakPolarHBondContact O-CB 3.24Å; S761-L764 PolarHBondContact O-N 2.74Å; S762-L764 PolarHBondContact O-N 2.72Å; L764-M781 HydrophobicContact CB-SD 4.41Å; L764-M781 HydrophobicContact CD2-CE 4.06Å
765	F	74.6	Confident	69.9	Low	91 Å²	91	85.1 Å²	85.1	40%	0.399	43%	0.428	S	S	.	.			trans	-82	137.1	176.9	-176.7	-104	0	0	0	110.9	E636 S762 P767	E636-F765 HydrophobicContact CB-CD1 4.25Å; E636-F765 HydrophobicContact CG-CD1 4.41Å; S762-F765 WeakPolarHBondContact O-CB 3.45Å; S762-F765 PolarHBondContact O-N 2.97Å; F765-P767 HydrophobicContact CD1-CG 4.4Å; F765-P767 HydrophobicContact CE1-CB 4.36Å; F765-P767 HydrophobicContact CE1-CG 4.16Å
766	I	71.1	Confident	69.4	Low	11 Å²	11	83 Å²	83	6%	0.056	42%	0.423	C	S	.	.			trans	-116	121	169.2	-50	179.8	0	0	0	107.8	S768 P776 M781 T784	I766-S768 VanDerWaalsContact C-N 3.28Å; I766-S768 WeakPolarHBondContact CG2-OG 3.31Å; I766-S768 PolarHBondContact O-N 3.41Å; I766-P776 HydrophobicContact CD1-CB 3.98Å; I766-P776 HydrophobicContact CD1-CG 3.75Å; I766-P776 HydrophobicContact CG1-CG 4.38Å; I766-M781 HydrophobicContact CD1-CB 4.03Å; I766-M781 HydrophobicContact CD1-CG 3.9Å; I766-M781 HydrophobicContact CG1-CB 4.43Å; I766-M781 HydrophobicContact CG1-CG 4.37Å; I766-T784 HydrophobicContact CG2-CG2 3.85Å
767	P	59	Low	69.6	Low	58 Å²	58	79.6 Å²	79.6	38%	0.377	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.2	178.4	-27.9	35.9	0	0	0	114.5	F765 R769	F765-P767 HydrophobicContact CD1-CG 4.4Å; F765-P767 HydrophobicContact CE1-CB 4.36Å; F765-P767 HydrophobicContact CE1-CG 4.16Å; P767-R769 PolarHBondContact O-N 2.83Å
768	S	56.3	Low	70	Confident	49 Å²	49	74 Å²	74	34%	0.343	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-82.5	5.5	-169.5	60.8	0	0	0	0	116.7	I766	I766-S768 VanDerWaalsContact C-N 3.28Å; I766-S768 WeakPolarHBondContact CG2-OG 3.31Å; I766-S768 PolarHBondContact O-N 3.41Å
769	R	54.4	Low	70.5	Confident	90 Å²	90	78 Å²	78	34%	0.34	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-131.5	29.8	-173.5	-73.6	-161.9	179	-171.9	4.9	115.7	P767 S771 S772 E780	P767-R769 PolarHBondContact O-N 2.83Å; R769-S771 PolarHBondContact O-N 3.46Å; R769-S771 VanDerWaalsContact O-N 3.08Å; R769-S772 PolarHBondContact O-N 2.87Å; R769-S772 PolarHBondContact O-OG 3.17Å; R769-E780 IonicContact CZ-OE1 2.65Å; R769-E780 IonicContact NH1-OE1 3.94Å; R769-E780 PolarHBondContact NH1-OE1 3.08Å; R769-E780 IonicContact NH2-OE1 2.68Å
770	V	48.7	Very low	70.8	Confident	85 Å²	85	75 Å²	75	52%	0.515	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.3	176.8	-165.6	0	0	0	0	112.6
771	S	49.1	Very low	71.2	Confident	123 Å²	123	69.1 Å²	69.1	86%	0.86	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.5	-177	-51.2	0	0	0	0	115.9	R769	R769-S771 PolarHBondContact O-N 3.46Å; R769-S771 VanDerWaalsContact O-N 3.08Å
772	S	55.7	Low	71.5	Confident	47 Å²	47	68.5 Å²	68.5	33%	0.329	35%	0.35	S	S	.	.			trans	-85.5	119.3	-175.7	69.1	0	0	0	0	112.2	R769 T774	R769-S772 PolarHBondContact O-N 2.87Å; R769-S772 PolarHBondContact O-OG 3.17Å; S772-T774 PolarHBondContact O-N 3.41Å; S772-T774 VanDerWaalsContact O-N 3.07Å; S772-T774 PolarHBondContact OG-O 3Å
773	R	55	Low	71.9	Confident	259 Å²	259	69.8 Å²	69.8	98%	0.977	36%	0.356	S	S	*	.	S	Bend	trans	-61.6	-16.1	179.9	-69.8	-175.9	176.9	179.9	-0.4	114.8
774	T	64.6	Low	72.2	Confident	103 Å²	103	71.6 Å²	71.6	63%	0.632	37%	0.367	S	S	*	.	S	Bend	trans	-106.1	126.9	179.8	49.4	0	0	0	0	110.8	S772	S772-T774 PolarHBondContact O-N 3.41Å; S772-T774 VanDerWaalsContact O-N 3.07Å; S772-T774 PolarHBondContact OG-O 3Å
775	R	69.8	Low	72.6	Confident	127 Å²	127	71.4 Å²	71.4	48%	0.479	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-59	128.4	173.1	-179.9	177.5	174.2	138.1	4.7	110.1	W755 K759	W755-R775 HydrophobicContact CH2-CG 4.18Å; W755-R775 VanDerWaalsContact CZ3-NH2 3.34Å; K759-R775 VanDerWaalsContact O-CZ 3.25Å; K759-R775 PolarHBondContact O-NH1 2.87Å; K759-R775 PolarHBondContact O-NH2 3.3Å
776	P	75.3	Confident	73.4	Confident	20 Å²	20	69.5 Å²	69.5	13%	0.13	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-64.4	144.3	-176.9	26.6	-35.3	0	0	0	111.8	I766 E780 M781	I766-P776 HydrophobicContact CD1-CB 3.98Å; I766-P776 HydrophobicContact CD1-CG 3.75Å; I766-P776 HydrophobicContact CG1-CG 4.38Å; P776-E780 HydrophobicContact CB-CB 4.32Å; P776-M781 HydrophobicContact CB-CG 4.01Å; P776-M781 HydrophobicContact CG-CG 3.98Å; P776-M781 HydrophobicContact CG-SD 4.17Å
777	T	85.4	Confident	74.3	Confident	75 Å²	75	72.8 Å²	72.8	46%	0.46	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-70.8	153.6	171.6	64.9	0	0	0	0	110.6	K779 E780 M781	T777-K779 PolarHBondContact O-N 2.75Å; T777-K779 VanDerWaalsContact O-N 3.08Å; T777-E780 WeakPolarHBondContact CB-OE2 3.14Å; T777-E780 WeakPolarHBondContact CG2-OE2 3.33Å; T777-E780 PolarHBondContact N-OE2 3.43Å; T777-E780 PolarHBondContact O-N 3.34Å; T777-E780 WeakPolarHBondContact OG1-CG 3.25Å; T777-E780 PolarHBondContact OG1-N 3.4Å; T777-E780 PolarHBondContact OG1-OE2 2.88Å; T777-M781 VanDerWaalsContact O-CG 3.25Å; T777-M781 WeakPolarHBondContact O-CG 3.34Å; T777-M781 PolarHBondContact O-N 2.9Å
778	I	86.8	Confident	75.6	Confident	33 Å²	33	71.6 Å²	71.6	17%	0.169	37%	0.367	C	S	.	.	H	α-helix	trans	-53.9	-33.6	177	-58.7	176.7	0	0	0	111.7	L751 K752 W755 M781 V782	L751-I778 HydrophobicContact CB-CG2 4.42Å; K752-I778 HydrophobicContact CG-CD1 3.84Å; K752-I778 HydrophobicContact CG-CG2 4.26Å; W755-I778 HydrophobicContact CB-CD1 3.9Å; W755-I778 HydrophobicContact CD2-CD1 3.96Å; W755-I778 HydrophobicContact CD2-CG1 3.97Å; W755-I778 HydrophobicContact CE3-CD1 4.41Å; W755-I778 HydrophobicContact CE3-CG1 3.95Å; W755-I778 HydrophobicContact CG-CD1 3.71Å; W755-I778 HydrophobicContact CG-CG1 4.24Å; W755-I778 HydrophobicContact CZ3-CG1 4.38Å; I778-M781 HydrophobicContact CB-CE 4.36Å; I778-M781 HydrophobicContact CG1-CE 3.94Å; I778-M781 PolarHBondContact O-N 3.32Å; I778-V782 HydrophobicContact CG2-CG2 4.14Å; I778-V782 WeakPolarHBondContact O-CB 3.34Å; I778-V782 WeakPolarHBondContact O-CG2 3.4Å; I778-V782 PolarHBondContact O-N 2.84Å
779	K	87.7	Confident	77.2	Confident	158 Å²	158	69.2 Å²	69.2	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-61	-52.7	175.7	-173.2	-174.7	177	-170.9	0	110.7	T777 M781 V782 T783	T777-K779 PolarHBondContact O-N 2.75Å; T777-K779 VanDerWaalsContact O-N 3.08Å; K779-M781 PolarHBondContact O-N 3.44Å; K779-V782 PolarHBondContact O-N 2.78Å; K779-T783 PolarHBondContact O-N 3.34Å; K779-T783 PolarHBondContact O-OG1 3.37Å; K779-T783 VanDerWaalsContact O-OG1 3.11Å
780	E	85.6	Confident	78.8	Confident	62 Å²	62	67 Å²	67	29%	0.29	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-43.1	178	-66.4	163.5	99.9	0	0	112	R769 P776 T777 V782 T783 T784	R769-E780 IonicContact CZ-OE1 2.65Å; R769-E780 IonicContact NH1-OE1 3.94Å; R769-E780 PolarHBondContact NH1-OE1 3.08Å; R769-E780 IonicContact NH2-OE1 2.68Å; P776-E780 HydrophobicContact CB-CB 4.32Å; T777-E780 WeakPolarHBondContact CB-OE2 3.14Å; T777-E780 WeakPolarHBondContact CG2-OE2 3.33Å; T777-E780 PolarHBondContact N-OE2 3.43Å; T777-E780 PolarHBondContact O-N 3.34Å; T777-E780 WeakPolarHBondContact OG1-CG 3.25Å; T777-E780 PolarHBondContact OG1-N 3.4Å; T777-E780 PolarHBondContact OG1-OE2 2.88Å; E780-V782 VanDerWaalsContact C-N 3.33Å; E780-V782 PolarHBondContact O-N 3.36Å; E780-T783 PolarHBondContact O-N 3.46Å; E780-T784 WeakPolarHBondContact O-CB 3.1Å; E780-T784 PolarHBondContact O-N 2.88Å; E780-T784 PolarHBondContact O-OG1 3.06Å
781	M	87.6	Confident	80.6	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-46	177.8	-47.5	-156.8	-80.2	0	0	111.6	L751 W755 L764 I766 P776 T777 I778 K779 L785	L751-M781 HydrophobicContact CD1-CB 4.11Å; W755-M781 HydrophobicContact CE3-CE 3.59Å; W755-M781 HydrophobicContact CZ3-CE 3.62Å; W755-M781 HydrophobicContact CZ3-SD 4.36Å; L764-M781 HydrophobicContact CB-SD 4.41Å; L764-M781 HydrophobicContact CD2-CE 4.06Å; I766-M781 HydrophobicContact CD1-CB 4.03Å; I766-M781 HydrophobicContact CD1-CG 3.9Å; I766-M781 HydrophobicContact CG1-CB 4.43Å; I766-M781 HydrophobicContact CG1-CG 4.37Å; P776-M781 HydrophobicContact CB-CG 4.01Å; P776-M781 HydrophobicContact CG-CG 3.98Å; P776-M781 HydrophobicContact CG-SD 4.17Å; T777-M781 VanDerWaalsContact O-CG 3.25Å; T777-M781 WeakPolarHBondContact O-CG 3.34Å; T777-M781 PolarHBondContact O-N 2.9Å; I778-M781 HydrophobicContact CB-CE 4.36Å; I778-M781 HydrophobicContact CG1-CE 3.94Å; I778-M781 PolarHBondContact O-N 3.32Å; K779-M781 PolarHBondContact O-N 3.44Å; M781-L785 VanDerWaalsContact O-CB 3.24Å; M781-L785 WeakPolarHBondContact O-CB 3.23Å; M781-L785 WeakPolarHBondContact O-CD1 3.4Å; M781-L785 VanDerWaalsContact O-CG 3.25Å; M781-L785 WeakPolarHBondContact O-CG 3.24Å; M781-L785 PolarHBondContact O-N 3.05Å
782	V	91	Very high	82.4	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-51.2	178.6	170	0	0	0	0	110.5	E744 L747 K748 L751 I778 K779 E780 L785 W786	E744-V782 HydrophobicContact CG-CG1 3.3Å; E744-V782 WeakPolarHBondContact OE1-CG1 3.32Å; L747-V782 HydrophobicContact CD2-CG1 4.45Å; L747-V782 HydrophobicContact CG-CG2 4.45Å; K748-V782 HydrophobicContact CB-CG1 4.23Å; K748-V782 HydrophobicContact CB-CG2 3.77Å; K748-V782 HydrophobicContact CG-CG2 4.16Å; L751-V782 HydrophobicContact CD1-CG2 3.85Å; I778-V782 HydrophobicContact CG2-CG2 4.14Å; I778-V782 WeakPolarHBondContact O-CB 3.34Å; I778-V782 WeakPolarHBondContact O-CG2 3.4Å; I778-V782 PolarHBondContact O-N 2.84Å; K779-V782 PolarHBondContact O-N 2.78Å; E780-V782 VanDerWaalsContact C-N 3.33Å; E780-V782 PolarHBondContact O-N 3.36Å; V782-L785 PolarHBondContact O-N 2.7Å; V782-W786 WeakPolarHBondContact O-CB 3.47Å; V782-W786 PolarHBondContact O-N 2.96Å
783	T	89.4	Confident	83.8	Confident	52 Å²	52	62.5 Å²	62.5	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-47.2	-179.6	-55.3	0	0	0	0	111.7	K779 E780 N787	K779-T783 PolarHBondContact O-N 3.34Å; K779-T783 PolarHBondContact O-OG1 3.37Å; K779-T783 VanDerWaalsContact O-OG1 3.11Å; E780-T783 PolarHBondContact O-N 3.46Å; T783-N787 VanDerWaalsContact O-CB 3.31Å; T783-N787 WeakPolarHBondContact O-CB 3.31Å; T783-N787 PolarHBondContact O-N 2.9Å; T783-N787 PolarHBondContact O-OD1 2.87Å
784	T	87.3	Confident	84.9	Confident	40 Å²	40	53.9 Å²	53.9	25%	0.245	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-46.4	179.5	-57.4	0	0	0	0	112.2	I766 E780 S788	I766-T784 HydrophobicContact CG2-CG2 3.85Å; E780-T784 WeakPolarHBondContact O-CB 3.1Å; E780-T784 PolarHBondContact O-N 2.88Å; E780-T784 PolarHBondContact O-OG1 3.06Å; T784-S788 WeakPolarHBondContact O-CB 3.45Å; T784-S788 PolarHBondContact O-N 2.87Å
785	L	90	Very high	85.5	Confident	14 Å²	14	54 Å²	54	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-71.1	-37.2	-179.4	-70.2	170.1	0	0	0	112.3	P633 L747 L751 M781 V782 S788 V789	P633-L785 HydrophobicContact CG-CB 4.4Å; L747-L785 HydrophobicContact CD2-CB 3.99Å; L751-L785 HydrophobicContact CD1-CD1 3.97Å; M781-L785 VanDerWaalsContact O-CB 3.24Å; M781-L785 WeakPolarHBondContact O-CB 3.23Å; M781-L785 WeakPolarHBondContact O-CD1 3.4Å; M781-L785 VanDerWaalsContact O-CG 3.25Å; M781-L785 WeakPolarHBondContact O-CG 3.24Å; M781-L785 PolarHBondContact O-N 3.05Å; V782-L785 PolarHBondContact O-N 2.7Å; L785-S788 PolarHBondContact O-N 3.41Å; L785-V789 WeakPolarHBondContact O-CG2 3.44Å; L785-V789 PolarHBondContact O-N 3.34Å
786	W	91.6	Very high	86.2	Confident	51 Å²	51	51.6 Å²	51.6	19%	0.193	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-48	175.6	-177.1	-106.4	0	0	0	111.3	P741 S743 E744 L747 V782 S788 V789 I790	P741-W786 HydrophobicContact CB-CZ3 4.18Å; P741-W786 HydrophobicContact CG-CE3 3.93Å; P741-W786 HydrophobicContact CG-CZ3 3.84Å; S743-W786 VanDerWaalsContact CA-CH2 3.5Å; E744-W786 HydrophobicContact CB-CD2 3.9Å; E744-W786 HydrophobicContact CB-CE3 4.3Å; E744-W786 HydrophobicContact CB-CG 4.11Å; E744-W786 HydrophobicContact CG-CB 4.33Å; E744-W786 HydrophobicContact CG-CD2 4.38Å; E744-W786 HydrophobicContact CG-CG 4.09Å; E744-W786 VanDerWaalsContact N-CZ3 3.35Å; L747-W786 HydrophobicContact CD2-CB 4.21Å; V782-W786 WeakPolarHBondContact O-CB 3.47Å; V782-W786 PolarHBondContact O-N 2.96Å; W786-S788 VanDerWaalsContact C-N 3.28Å; W786-S788 PolarHBondContact O-N 2.92Å; W786-V789 WeakPolarHBondContact O-CB 3.23Å; W786-V789 PolarHBondContact O-N 3.42Å; W786-V789 VanDerWaalsContact O-N 3.1Å; W786-I790 HydrophobicContact CD2-CG1 4.46Å; W786-I790 HydrophobicContact CZ2-CD1 3.95Å; W786-I790 HydrophobicContact CZ2-CG1 4.39Å; W786-I790 WeakPolarHBondContact O-CG1 3.38Å; W786-I790 PolarHBondContact O-N 2.79Å
787	N	89.2	Confident	86.7	Confident	80 Å²	80	53.4 Å²	53.4	43%	0.428	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-38.7	176.8	-68.4	4.7	0	0	0	111.5	T783 I790 H791	T783-N787 VanDerWaalsContact O-CB 3.31Å; T783-N787 WeakPolarHBondContact O-CB 3.31Å; T783-N787 PolarHBondContact O-N 2.9Å; T783-N787 PolarHBondContact O-OD1 2.87Å; N787-I790 PolarHBondContact O-N 2.86Å; N787-H791 VanDerWaalsContact O-CB 3.27Å; N787-H791 WeakPolarHBondContact O-CB 3.14Å; N787-H791 PolarHBondContact O-N 2.9Å
788	S	86.9	Confident	86.8	Confident	32 Å²	32	52.1 Å²	52.1	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-43	173.6	-179.3	0	0	0	0	112.8	T784 L785 W786 H791 L792	T784-S788 WeakPolarHBondContact O-CB 3.45Å; T784-S788 PolarHBondContact O-N 2.87Å; L785-S788 PolarHBondContact O-N 3.41Å; W786-S788 VanDerWaalsContact C-N 3.28Å; W786-S788 PolarHBondContact O-N 2.92Å; S788-H791 PolarHBondContact O-N 2.93Å; S788-L792 WeakPolarHBondContact O-CB 3.48Å; S788-L792 WeakPolarHBondContact O-CG 3.27Å; S788-L792 PolarHBondContact O-N 2.76Å
789	V	90.2	Very high	87	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-45.9	174.6	168.5	0	0	0	0	111.5	P633 L738 P741 L785 W786 L792 R793	P633-V789 HydrophobicContact CG-CG2 4.26Å; L738-V789 HydrophobicContact CD1-CG2 4.37Å; L738-V789 HydrophobicContact CD2-CG1 4.48Å; P741-V789 HydrophobicContact CG-CG1 4.49Å; P741-V789 HydrophobicContact CG-CG2 4.3Å; L785-V789 WeakPolarHBondContact O-CG2 3.44Å; L785-V789 PolarHBondContact O-N 3.34Å; W786-V789 WeakPolarHBondContact O-CB 3.23Å; W786-V789 PolarHBondContact O-N 3.42Å; W786-V789 VanDerWaalsContact O-N 3.1Å; V789-L792 PolarHBondContact O-N 2.89Å; V789-R793 WeakPolarHBondContact O-CB 3.37Å; V789-R793 VanDerWaalsContact O-CG 3.31Å; V789-R793 WeakPolarHBondContact O-CG 3.26Å; V789-R793 PolarHBondContact O-N 3.02Å
790	I	88.8	Confident	87.3	Confident	43 Å²	43	44.8 Å²	44.8	22%	0.221	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-45.8	178.8	-65	-59.9	0	0	0	110.7	W786 N787 L792 R793 Q794	W786-I790 HydrophobicContact CD2-CG1 4.46Å; W786-I790 HydrophobicContact CZ2-CD1 3.95Å; W786-I790 HydrophobicContact CZ2-CG1 4.39Å; W786-I790 WeakPolarHBondContact O-CG1 3.38Å; W786-I790 PolarHBondContact O-N 2.79Å; N787-I790 PolarHBondContact O-N 2.86Å; I790-L792 PolarHBondContact O-N 2.96Å; I790-R793 PolarHBondContact O-N 2.72Å; I790-Q794 HydrophobicContact CG2-CG 4.22Å; I790-Q794 WeakPolarHBondContact O-CB 3.44Å; I790-Q794 WeakPolarHBondContact O-CG 3.26Å; I790-Q794 PolarHBondContact O-N 2.75Å
791	H	85.6	Confident	87.7	Confident	55 Å²	55	43.5 Å²	43.5	26%	0.255	22%	0.216	S	C	.	.	H	α-helix	trans	-59.4	-47	177.5	178.9	-101.3	0	0	0	112.1	N787 S788 R793 Q794 Y795	N787-H791 VanDerWaalsContact O-CB 3.27Å; N787-H791 WeakPolarHBondContact O-CB 3.14Å; N787-H791 PolarHBondContact O-N 2.9Å; S788-H791 PolarHBondContact O-N 2.93Å; H791-R793 VanDerWaalsContact C-N 3.34Å; H791-R793 PolarHBondContact O-N 2.7Å; H791-Q794 PolarHBondContact O-N 3.22Å; H791-Y795 HydrophobicContact CB-CD2 4.46Å; H791-Y795 AromaticContact CD2-CD2 3.33Å; H791-Y795 WeakPolarHBondContact CD2-CD2 3.39Å; H791-Y795 AromaticContact CD2-CE2 3.79Å; H791-Y795 AromaticContact NE2-CD2 3.91Å; H791-Y795 WeakPolarHBondContact O-CD2 3.36Å; H791-Y795 PolarHBondContact O-N 3.48Å
792	L	86.6	Confident	88	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-40.4	175.5	-73.5	172	0	0	0	112.3	F631 L738 S788 V789 I790 K796 S797	F631-L792 HydrophobicContact CB-CD1 3.67Å; F631-L792 HydrophobicContact CD1-CD1 4.32Å; F631-L792 HydrophobicContact CD2-CD1 4.41Å; F631-L792 HydrophobicContact CG-CD1 3.91Å; L738-L792 HydrophobicContact CD1-CD1 4.13Å; S788-L792 WeakPolarHBondContact O-CB 3.48Å; S788-L792 WeakPolarHBondContact O-CG 3.27Å; S788-L792 PolarHBondContact O-N 2.76Å; V789-L792 PolarHBondContact O-N 2.89Å; I790-L792 PolarHBondContact O-N 2.96Å; L792-K796 HydrophobicContact CD2-CB 4.09Å; L792-K796 CarbonylContact O-C 3.42Å; L792-K796 PolarHBondContact O-N 3.4Å; L792-S797 WeakPolarHBondContact O-CA 3.07Å; L792-S797 PolarHBondContact O-N 3.24Å
793	R	84.7	Confident	88.1	Confident	104 Å²	104	48.3 Å²	48.3	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-69.8	-31	177.9	-75.2	176.2	60.1	-171.9	-8.9	114.1	L738 N740 V789 I790 H791 S797	L738-R793 HydrophobicContact CD2-CG 3.55Å; N740-R793 PolarHBondContact OD1-NH1 3.44Å; V789-R793 WeakPolarHBondContact O-CB 3.37Å; V789-R793 VanDerWaalsContact O-CG 3.31Å; V789-R793 WeakPolarHBondContact O-CG 3.26Å; V789-R793 PolarHBondContact O-N 3.02Å; I790-R793 PolarHBondContact O-N 2.72Å; H791-R793 VanDerWaalsContact C-N 3.34Å; H791-R793 PolarHBondContact O-N 2.7Å; R793-S797 WeakPolarHBondContact O-CB 3.21Å
794	Q	77.9	Confident	88.2	Confident	79 Å²	79	45.8 Å²	45.8	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-90.1	-45.1	-176	-73.7	178.5	-19.9	0	0	112.9	I790 H791	I790-Q794 HydrophobicContact CG2-CG 4.22Å; I790-Q794 WeakPolarHBondContact O-CB 3.44Å; I790-Q794 WeakPolarHBondContact O-CG 3.26Å; I790-Q794 PolarHBondContact O-N 2.75Å; H791-Q794 PolarHBondContact O-N 3.22Å
795	Y	77.2	Confident	88.3	Confident	105 Å²	105	46.7 Å²	46.7	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-113.5	-16.7	-167.4	-52.7	-87.7	0	0	0	114.5	H791 P1089	H791-Y795 HydrophobicContact CB-CD2 4.46Å; H791-Y795 AromaticContact CD2-CD2 3.33Å; H791-Y795 WeakPolarHBondContact CD2-CD2 3.39Å; H791-Y795 AromaticContact CD2-CE2 3.79Å; H791-Y795 AromaticContact NE2-CD2 3.91Å; H791-Y795 WeakPolarHBondContact O-CD2 3.36Å; H791-Y795 PolarHBondContact O-N 3.48Å; Y795-P1089 HydrophobicContact CE1-CG 3.73Å; Y795-P1089 VanDerWaalsContact OH-CD 3.27Å; Y795-P1089 WeakPolarHBondContact OH-CD 3.44Å; Y795-P1089 WeakPolarHBondContact OH-CG 3.42Å
796	K	84.9	Confident	87.9	Confident	76 Å²	76	46.2 Å²	46.2	33%	0.33	23%	0.232	S	C	.	.	S	Bend	trans	-131.4	24.7	-177.4	-52.2	-68.3	177.9	-175	0	112.1	P721 L792 H798 V799	P721-K796 HydrophobicContact CB-CD 4.38Å; P721-K796 HydrophobicContact CG-CD 4.4Å; P721-K796 HydrophobicContact CG-CG 4.42Å; L792-K796 HydrophobicContact CD2-CB 4.09Å; L792-K796 CarbonylContact O-C 3.42Å; L792-K796 PolarHBondContact O-N 3.4Å; K796-H798 PolarHBondContact O-N 3.11Å; K796-V799 HydrophobicContact CB-CG2 4.39Å; K796-V799 VanDerWaalsContact O-CG2 3.27Å; K796-V799 WeakPolarHBondContact O-CG2 3.42Å; K796-V799 PolarHBondContact O-N 3.47Å
797	S	86.5	Confident	86.9	Confident	58 Å²	58	47.4 Å²	47.4	41%	0.406	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.7	-25.8	-179	47	0	0	0	0	112.6	L792 R793 V799 I800	L792-S797 WeakPolarHBondContact O-CA 3.07Å; L792-S797 PolarHBondContact O-N 3.24Å; R793-S797 WeakPolarHBondContact O-CB 3.21Å; S797-V799 VanDerWaalsContact C-N 3.28Å; S797-V799 PolarHBondContact O-N 3.44Å; S797-I800 WeakPolarHBondContact O-CB 3.48Å; S797-I800 PolarHBondContact O-N 2.84Å; S797-I800 VanDerWaalsContact O-N 3.12Å
798	H	87.5	Confident	85.8	Confident	48 Å²	48	48.9 Å²	48.9	22%	0.222	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-67.7	-18.5	178.8	69.7	-79.5	0	0	0	115.6	R552 E725 K796	R552-H798 WeakPolarHBondContact CD-NE2 3.38Å; R552-H798 WeakPolarHBondContact O-CB 3.28Å; E725-H798 IonicContact OE1-CD2 3.78Å; E725-H798 IonicContact OE1-CE1 3.68Å; E725-H798 IonicContact OE1-NE2 3.16Å; E725-H798 PolarHBondContact OE1-NE2 3.23Å; K796-H798 PolarHBondContact O-N 3.11Å
799	V	91.2	Very high	84.6	Confident	10 Å²	10	49.5 Å²	49.5	6%	0.061	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-88.6	-9.5	172.6	-57.9	0	0	0	0	112.9	P721 I724 E725 V736 K796 S797	P721-V799 HydrophobicContact CB-CG1 4.03Å; P721-V799 HydrophobicContact CB-CG2 4.09Å; I724-V799 HydrophobicContact CD1-CG2 4.48Å; I724-V799 HydrophobicContact CG2-CB 4.09Å; I724-V799 HydrophobicContact CG2-CG1 4.32Å; E725-V799 HydrophobicContact CG-CG1 4.18Å; V736-V799 WeakPolarHBondContact CB-O 3.17Å; V736-V799 VanDerWaalsContact CG1-O 3.25Å; V736-V799 WeakPolarHBondContact CG1-O 3.38Å; V736-V799 WeakPolarHBondContact CG2-O 3.46Å; K796-V799 HydrophobicContact CB-CG2 4.39Å; K796-V799 VanDerWaalsContact O-CG2 3.27Å; K796-V799 WeakPolarHBondContact O-CG2 3.42Å; K796-V799 PolarHBondContact O-N 3.47Å; S797-V799 VanDerWaalsContact C-N 3.28Å; S797-V799 PolarHBondContact O-N 3.44Å
800	I	92.9	Very high	83	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.138	28%	0.275	C	S	.	.			trans	-86.9	122.8	-175.6	-55.8	175.7	0	0	0	108.9	L738 S797 D802 T803	L738-I800 HydrophobicContact CB-CD1 4.09Å; L738-I800 HydrophobicContact CB-CG2 4.12Å; L738-I800 HydrophobicContact CD2-CD1 3.92Å; S797-I800 WeakPolarHBondContact O-CB 3.48Å; S797-I800 PolarHBondContact O-N 2.84Å; S797-I800 VanDerWaalsContact O-N 3.12Å; I800-D802 WeakPolarHBondContact CG2-O 3.45Å; I800-T803 HydrophobicContact CG2-CG2 4.19Å
801	T	94	Very high	81.2	Confident	36 Å²	36	56.9 Å²	56.9	22%	0.221	30%	0.302	C	S	.	.			trans	-87.8	-30.4	175.7	65.9	0	0	0	0	112.3	V736 Q832	V736-T801 HydrophobicContact CB-CG2 4.3Å; V736-T801 HydrophobicContact CG2-CG2 4.5Å; V736-T801 PolarHBondContact N-OG1 2.86Å; V736-T801 PolarHBondContact O-N 3.07Å; V736-T801 PolarHBondContact O-OG1 3.1Å; V736-T801 VanDerWaalsContact O-OG1 3.12Å; T801-Q832 PolarHBondContact O-NE2 2.86Å
802	D	94.5	Very high	79.7	Confident	42 Å²	42	63.7 Å²	63.7	23%	0.225	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	169.1	179.3	-141.9	-37.7	0	0	0	113.1	V736 I737 L738 I800 V828 Q832	V736-D802 PolarHBondContact O-N 2.8Å; I737-D802 WeakPolarHBondContact CA-O 3.49Å; L738-D802 PolarHBondContact N-O 3.25Å; I800-D802 WeakPolarHBondContact CG2-O 3.45Å; D802-V828 HydrophobicContact CB-CG1 3.68Å; D802-Q832 HydrophobicContact CB-CG 4.03Å; D802-Q832 PolarHBondContact OD2-NE2 2.84Å
803	T	93	Very high	78.1	Confident	61 Å²	61	70.9 Å²	70.9	37%	0.374	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.2	176.4	71.5	0	0	0	0	112.1	L738 I800 P805	L738-T803 HydrophobicContact CB-CG2 4.26Å; L738-T803 CarbonylContact O-C 3.52Å; L738-T803 VanDerWaalsContact O-CA 3.28Å; L738-T803 WeakPolarHBondContact O-CA 3.41Å; I800-T803 HydrophobicContact CG2-CG2 4.19Å; T803-P805 WeakPolarHBondContact O-CD 3.37Å
804	V	92.1	Very high	76.5	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.4	173.2	172.3	0	0	0	0	108.3	I737 L738 I739 N740 L825 V828	I737-V804 HydrophobicContact CG2-CB 4.2Å; I737-V804 HydrophobicContact CG2-CG2 3.6Å; L738-V804 PolarHBondContact O-N 2.93Å; I739-V804 WeakPolarHBondContact CA-O 3.49Å; N740-V804 PolarHBondContact N-O 2.82Å; V804-L825 HydrophobicContact CG2-CB 4.38Å; V804-L825 HydrophobicContact CG2-CD1 3.97Å; V804-V828 HydrophobicContact CG2-CB 4.17Å; V804-V828 HydrophobicContact CG2-CG1 4.25Å; V804-V828 HydrophobicContact CG2-CG2 4.06Å
805	P	88.2	Confident	75.5	Confident	59 Å²	59	70.7 Å²	70.7	38%	0.383	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.2	176.2	28.6	-33.9	0	0	0	110.4	N740 T803 L807	N740-P805 WeakPolarHBondContact O-CA 3.4Å; T803-P805 WeakPolarHBondContact O-CD 3.37Å; P805-L807 PolarHBondContact O-N 2.75Å
806	L	82.3	Confident	75.1	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-75.7	124	169.6	-71.6	166	0	0	0	109.3	L634 I739 N740 P741 Q746 L750 F816	L634-L806 HydrophobicContact CD1-CD2 4.02Å; I739-L806 HydrophobicContact CG2-CD1 3.86Å; I739-L806 HydrophobicContact CG2-CD2 3.76Å; I739-L806 HydrophobicContact CG2-CG 3.7Å; N740-L806 PolarHBondContact O-N 2.57Å; N740-L806 VanDerWaalsContact O-N 3.14Å; P741-L806 HydrophobicContact CB-CD1 3.98Å; Q746-L806 PolarHBondContact NE2-O 3.11Å; L750-L806 HydrophobicContact CD2-CD1 3.65Å; L750-L806 HydrophobicContact CD2-CD2 4Å; L750-L806 HydrophobicContact CD2-CG 4.35Å; L806-F816 HydrophobicContact CD2-CE2 4.39Å; L806-F816 HydrophobicContact CD2-CZ 4.18Å
807	L	71.6	Confident	74.6	Confident	75 Å²	75	65.5 Å²	65.5	39%	0.393	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-72	143.5	177.2	-63.2	175.8	0	0	0	110.8	P805 E820	P805-L807 PolarHBondContact O-N 2.75Å; L807-E820 VanDerWaalsContact CD1-CD 3.42Å; L807-E820 HydrophobicContact CD1-CG 3.73Å
808	N	65	Low	74.2	Confident	112 Å²	112	65.1 Å²	65.1	60%	0.599	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-65.5	137.6	176.7	-75.7	-31.6	0	0	0	111	Q746 T810	Q746-N808 PolarHBondContact NE2-OD1 3.41Å; N808-T810 PolarHBondContact O-N 2.89Å
809	I	62.8	Low	73.9	Confident	44 Å²	44	69.4 Å²	69.4	23%	0.226	38%	0.379	C	S	.	.			trans	-61.2	113.5	166.9	-54.6	-168.3	0	0	0	107.6	V749 H753 S811 F816	V749-I809 HydrophobicContact CG1-CD1 3.75Å; V749-I809 HydrophobicContact CG1-CG1 4.37Å; H753-I809 HydrophobicContact CB-CD1 4.3Å; I809-S811 PolarHBondContact O-N 2.69Å; I809-F816 HydrophobicContact CD1-CB 4.17Å; I809-F816 HydrophobicContact CG1-CB 4.17Å
810	T	56.3	Low	73.3	Confident	84 Å²	84	73.2 Å²	73.2	52%	0.515	40%	0.396	S	S	.	.			trans	-72.5	132.1	-178.3	69.5	0	0	0	0	110	N808 K812 E813 N814	N808-T810 PolarHBondContact O-N 2.89Å; T810-K812 PolarHBondContact O-N 3.3Å; T810-E813 PolarHBondContact O-N 3.03Å; T810-N814 PolarHBondContact O-N 3.16Å; T810-N814 VanDerWaalsContact O-N 3.15Å
811	S	51.1	Low	72.9	Confident	115 Å²	115	72 Å²	72	80%	0.804	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.6	-175.4	53.3	0	0	0	0	114.5	I809	I809-S811 PolarHBondContact O-N 2.69Å
812	K	53.2	Low	72.5	Confident	198 Å²	198	71 Å²	71	86%	0.861	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-25.7	178.7	-69.7	-174.8	178.1	178	0	113.7	T810	T810-K812 PolarHBondContact O-N 3.3Å
813	E	53	Low	72.1	Confident	152 Å²	152	75.6 Å²	75.6	71%	0.71	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-11.5	-176.5	-62.4	-162.5	165.3	0	0	114.7	T810 S815	T810-E813 PolarHBondContact O-N 3.03Å; E813-S815 VanDerWaalsContact CB-OG 3.31Å; E813-S815 WeakPolarHBondContact CB-OG 3.43Å; E813-S815 PolarHBondContact O-N 2.96Å
814	N	51.8	Low	71.8	Confident	127 Å²	127	75.1 Å²	75.1	68%	0.679	39%	0.393	S	S	*	.			trans	56.8	10.4	-177.8	-95.8	-0.1	0	0	0	114.9	T810	T810-N814 PolarHBondContact O-N 3.16Å; T810-N814 VanDerWaalsContact O-N 3.15Å
815	S	56.9	Low	71.8	Confident	52 Å²	52	75.1 Å²	75.1	36%	0.364	39%	0.393	S	S	.	.			trans	-97.8	129	-178.1	49.5	0	0	0	0	110.5	E813	E813-S815 VanDerWaalsContact CB-OG 3.31Å; E813-S815 WeakPolarHBondContact CB-OG 3.43Å; E813-S815 PolarHBondContact O-N 2.96Å
816	F	68.9	Low	71.9	Confident	18 Å²	18	73.2 Å²	73.2	8%	0.079	38%	0.381	C	S	.	.			trans	-86.4	116.7	159.2	175.2	-108.7	0	0	0	107.1	L634 L750 Y754 L806 I809 E818 W821	L634-F816 HydrophobicContact CD1-CE1 4.19Å; L634-F816 HydrophobicContact CD1-CZ 4.06Å; L750-F816 HydrophobicContact CD1-CB 4.35Å; L750-F816 HydrophobicContact CD1-CD1 3.67Å; L750-F816 HydrophobicContact CD1-CD2 3.64Å; L750-F816 HydrophobicContact CD1-CE1 3.7Å; L750-F816 HydrophobicContact CD1-CE2 3.69Å; L750-F816 HydrophobicContact CD1-CG 3.62Å; L750-F816 HydrophobicContact CD1-CZ 3.71Å; Y754-F816 HydrophobicContact CE2-CD1 4.15Å; Y754-F816 HydrophobicContact CE2-CE1 4.05Å; L806-F816 HydrophobicContact CD2-CE2 4.39Å; L806-F816 HydrophobicContact CD2-CZ 4.18Å; I809-F816 HydrophobicContact CD1-CB 4.17Å; I809-F816 HydrophobicContact CG1-CB 4.17Å; F816-E818 HydrophobicContact CD1-CG 4.46Å; F816-E818 HydrophobicContact CE1-CG 4.49Å; F816-E818 PolarHBondContact O-N 2.66Å; F816-E818 VanDerWaalsContact O-N 3.17Å; F816-W821 AromaticContact CE1-CD1 3.34Å; F816-W821 HydrophobicContact CE1-CG 4.32Å; F816-W821 AromaticContact CE1-NE1 3.28Å; F816-W821 VanDerWaalsContact CE1-NE1 3.28Å; F816-W821 HydrophobicContact CZ-CB 4.39Å; F816-W821 AromaticContact CZ-CD1 3.16Å; F816-W821 HydrophobicContact CZ-CD2 4.44Å; F816-W821 AromaticContact CZ-CG 3.79Å; F816-W821 HydrophobicContact CZ-CG 3.79Å; F816-W821 AromaticContact CZ-NE1 3.52Å
817	S	74	Confident	72.2	Confident	53 Å²	53	76.5 Å²	76.5	37%	0.371	40%	0.396	S	S	.	.			trans	-77.9	100.6	-179.3	-177.6	0	0	0	0	110.2	I819 E820	S817-I819 PolarHBondContact O-N 3.1Å; S817-E820 PolarHBondContact O-N 3.16Å; S817-E820 PolarHBondContact OG-N 2.95Å
818	E	78.1	Confident	73.2	Confident	51 Å²	51	73.8 Å²	73.8	24%	0.238	38%	0.383	C	S	.	.	H	α-helix	trans	-55.4	-36.8	174.6	-81	-162.2	-177.4	0	0	112.2	R641 Y754 F816 E820 W821 L822	R641-E818 IonicContact CZ-OE2 2.67Å; R641-E818 IonicContact NE-OE2 3.71Å; R641-E818 PolarHBondContact NE-OE2 3.34Å; R641-E818 IonicContact NH2-OE2 3.63Å; R641-E818 PolarHBondContact NH2-OE2 3.44Å; Y754-E818 WeakPolarHBondContact CE1-OE1 3.33Å; Y754-E818 VanDerWaalsContact CZ-OE1 3.31Å; Y754-E818 VanDerWaalsContact OH-CD 3.28Å; Y754-E818 VanDerWaalsContact OH-CG 3.27Å; Y754-E818 WeakPolarHBondContact OH-CG 3.07Å; Y754-E818 PolarHBondContact OH-OE1 3.25Å; F816-E818 HydrophobicContact CD1-CG 4.46Å; F816-E818 HydrophobicContact CE1-CG 4.49Å; F816-E818 PolarHBondContact O-N 2.66Å; F816-E818 VanDerWaalsContact O-N 3.17Å; E818-E820 VanDerWaalsContact C-N 3.35Å; E818-E820 PolarHBondContact O-N 2.87Å; E818-W821 VanDerWaalsContact O-CD1 3.23Å; E818-W821 PolarHBondContact O-NE1 2.81Å; E818-L822 WeakPolarHBondContact O-CB 3.49Å; E818-L822 WeakPolarHBondContact O-CD1 3.41Å; E818-L822 WeakPolarHBondContact O-CG 3.41Å; E818-L822 PolarHBondContact O-N 3.38Å
819	I	80.3	Confident	74.6	Confident	137 Å²	137	68.5 Å²	68.5	70%	0.703	35%	0.354	S	S	*	.	H	α-helix	trans	-66.1	-38.4	-177.1	-62.1	164.4	0	0	0	111	S817 R823	S817-I819 PolarHBondContact O-N 3.1Å; I819-R823 VanDerWaalsContact O-CB 3.25Å; I819-R823 WeakPolarHBondContact O-CB 3.25Å; I819-R823 PolarHBondContact O-N 3.44Å
820	E	79.9	Confident	76	Confident	90 Å²	90	70.7 Å²	70.7	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-73.4	-44.5	-172.5	-171	173.4	-165.5	0	0	112.7	L807 S817 E818 R823 N824	L807-E820 VanDerWaalsContact CD1-CD 3.42Å; L807-E820 HydrophobicContact CD1-CG 3.73Å; S817-E820 PolarHBondContact O-N 3.16Å; S817-E820 PolarHBondContact OG-N 2.95Å; E818-E820 VanDerWaalsContact C-N 3.35Å; E818-E820 PolarHBondContact O-N 2.87Å; E820-R823 PolarHBondContact O-N 3.3Å; E820-N824 PolarHBondContact O-N 2.95Å
821	W	84	Confident	77.8	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.011	36%	0.359	C	S	.	.	H	α-helix	trans	-72.1	-33.6	177.3	79.2	-92.7	0	0	0	112	L634 L637 A638 I739 F816 E818 N824 L825	L634-W821 HydrophobicContact CB-CH2 4.23Å; L634-W821 HydrophobicContact CD1-CH2 4.35Å; L634-W821 HydrophobicContact CD1-CZ2 4.01Å; L637-W821 HydrophobicContact CD2-CZ2 3.97Å; L637-W821 HydrophobicContact CG-CZ2 4.31Å; A638-W821 HydrophobicContact CB-CH2 3.75Å; A638-W821 HydrophobicContact CB-CZ3 3.84Å; I739-W821 HydrophobicContact CD1-CZ3 4.08Å; F816-W821 AromaticContact CE1-CD1 3.34Å; F816-W821 HydrophobicContact CE1-CG 4.32Å; F816-W821 AromaticContact CE1-NE1 3.28Å; F816-W821 VanDerWaalsContact CE1-NE1 3.28Å; F816-W821 HydrophobicContact CZ-CB 4.39Å; F816-W821 AromaticContact CZ-CD1 3.16Å; F816-W821 HydrophobicContact CZ-CD2 4.44Å; F816-W821 AromaticContact CZ-CG 3.79Å; F816-W821 HydrophobicContact CZ-CG 3.79Å; F816-W821 AromaticContact CZ-NE1 3.52Å; E818-W821 VanDerWaalsContact O-CD1 3.23Å; E818-W821 PolarHBondContact O-NE1 2.81Å; W821-N824 PolarHBondContact O-N 3.08Å; W821-L825 HydrophobicContact CZ3-CD2 3.95Å; W821-L825 WeakPolarHBondContact O-CB 3.5Å; W821-L825 PolarHBondContact O-N 3.26Å
822	L	86	Confident	79.9	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-40.9	172.5	-74.4	171.3	0	0	0	111.5	R641 E818 L825 S826	R641-L822 HydrophobicContact CB-CD1 3.82Å; R641-L822 HydrophobicContact CB-CD2 3.66Å; R641-L822 HydrophobicContact CB-CG 4.43Å; R641-L822 HydrophobicContact CG-CD1 3.89Å; R641-L822 HydrophobicContact CG-CD2 4.24Å; E818-L822 WeakPolarHBondContact O-CB 3.49Å; E818-L822 WeakPolarHBondContact O-CD1 3.41Å; E818-L822 WeakPolarHBondContact O-CG 3.41Å; E818-L822 PolarHBondContact O-N 3.38Å; L822-L825 PolarHBondContact O-N 3.41Å; L822-S826 PolarHBondContact O-N 3.32Å; L822-S826 PolarHBondContact O-OG 3.19Å
823	R	85.5	Confident	81.9	Confident	140 Å²	140	59 Å²	59	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-44.2	173.2	-173.1	-174.3	67.6	81.7	1.2	111.2	I819 E820 L825 S826 E827	I819-R823 VanDerWaalsContact O-CB 3.25Å; I819-R823 WeakPolarHBondContact O-CB 3.25Å; I819-R823 PolarHBondContact O-N 3.44Å; E820-R823 PolarHBondContact O-N 3.3Å; R823-L825 VanDerWaalsContact C-N 3.35Å; R823-L825 PolarHBondContact O-N 2.7Å; R823-S826 WeakPolarHBondContact CA-OG 3.44Å; R823-S826 PolarHBondContact O-N 2.89Å; R823-S826 PolarHBondContact O-OG 3.29Å; R823-E827 WeakPolarHBondContact O-CG 3.41Å; R823-E827 PolarHBondContact O-N 3.35Å
824	N	87.4	Confident	83.8	Confident	51 Å²	51	55.3 Å²	55.3	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-44.6	175.7	-166.7	32.6	0	0	0	111.4	E820 W821 S826 E827 V828	E820-N824 PolarHBondContact O-N 2.95Å; W821-N824 PolarHBondContact O-N 3.08Å; N824-S826 PolarHBondContact O-N 3.19Å; N824-E827 PolarHBondContact O-N 3.41Å; N824-V828 WeakPolarHBondContact O-CG2 3.42Å; N824-V828 PolarHBondContact O-N 2.95Å
825	L	91.7	Very high	85.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-44	174.7	175.2	64.3	0	0	0	112.3	I630 A638 L642 I737 V804 W821 L822 R823 V828 I829	I630-L825 HydrophobicContact CD1-CD2 4.21Å; A638-L825 HydrophobicContact CB-CD2 3.78Å; L642-L825 HydrophobicContact CD1-CD2 3.96Å; L642-L825 HydrophobicContact CD1-CG 4.46Å; L642-L825 HydrophobicContact CD2-CD2 4.48Å; L642-L825 HydrophobicContact CG-CD2 4.35Å; I737-L825 HydrophobicContact CD1-CD1 3.69Å; I737-L825 HydrophobicContact CG2-CD1 3.97Å; V804-L825 HydrophobicContact CG2-CB 4.38Å; V804-L825 HydrophobicContact CG2-CD1 3.97Å; W821-L825 HydrophobicContact CZ3-CD2 3.95Å; W821-L825 WeakPolarHBondContact O-CB 3.5Å; W821-L825 PolarHBondContact O-N 3.26Å; L822-L825 PolarHBondContact O-N 3.41Å; R823-L825 VanDerWaalsContact C-N 3.35Å; R823-L825 PolarHBondContact O-N 2.7Å; L825-V828 PolarHBondContact O-N 3.03Å; L825-I829 HydrophobicContact CD1-CD1 4.1Å; L825-I829 HydrophobicContact CD1-CG1 4.43Å; L825-I829 HydrophobicContact CG-CD1 4.08Å; L825-I829 VanDerWaalsContact O-CG1 3.29Å; L825-I829 WeakPolarHBondContact O-CG1 3.49Å; L825-I829 PolarHBondContact O-N 3.07Å
826	S	90.4	Very high	87.5	Confident	19 Å²	19	51.3 Å²	51.3	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-36.6	177.2	54.7	0	0	0	0	112.9	L822 R823 N824 I829 R830	L822-S826 PolarHBondContact O-N 3.32Å; L822-S826 PolarHBondContact O-OG 3.19Å; R823-S826 WeakPolarHBondContact CA-OG 3.44Å; R823-S826 PolarHBondContact O-N 2.89Å; R823-S826 PolarHBondContact O-OG 3.29Å; N824-S826 PolarHBondContact O-N 3.19Å; S826-I829 PolarHBondContact O-N 3.43Å; S826-R830 WeakPolarHBondContact O-CB 3.26Å; S826-R830 PolarHBondContact O-N 2.71Å
827	E	88.6	Confident	88.7	Confident	73 Å²	73	50.9 Å²	50.9	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-68.5	-39	174.3	-69.9	-55.2	148.5	0	0	112.1	R823 N824 R830 H831	R823-E827 WeakPolarHBondContact O-CG 3.41Å; R823-E827 PolarHBondContact O-N 3.35Å; N824-E827 PolarHBondContact O-N 3.41Å; E827-R830 PolarHBondContact O-N 2.95Å; E827-R830 IonicContact OE1-NE 3.27Å; E827-R830 IonicContact OE2-CZ 3.97Å; E827-R830 VanDerWaalsContact OE2-CZ 3.27Å; E827-R830 IonicContact OE2-NE 3.76Å; E827-R830 PolarHBondContact OE2-NE 3.01Å; E827-R830 IonicContact OE2-NH2 2.67Å; E827-R830 PolarHBondContact OE2-NH2 3.5Å; E827-H831 WeakPolarHBondContact O-CB 3.01Å; E827-H831 PolarHBondContact O-N 2.87Å
828	V	92.4	Very high	89.8	Confident	18 Å²	18	49.4 Å²	49.4	11%	0.109	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-42.1	173.8	168.1	0	0	0	0	111.2	I737 D802 V804 N824 L825 H831 Q832	I737-V828 HydrophobicContact CD1-CG1 3.81Å; I737-V828 HydrophobicContact CG1-CG1 4.26Å; D802-V828 HydrophobicContact CB-CG1 3.68Å; V804-V828 HydrophobicContact CG2-CB 4.17Å; V804-V828 HydrophobicContact CG2-CG1 4.25Å; V804-V828 HydrophobicContact CG2-CG2 4.06Å; N824-V828 WeakPolarHBondContact O-CG2 3.42Å; N824-V828 PolarHBondContact O-N 2.95Å; L825-V828 PolarHBondContact O-N 3.03Å; V828-H831 PolarHBondContact O-N 3.03Å; V828-Q832 HydrophobicContact CG1-CG 4.43Å; V828-Q832 WeakPolarHBondContact O-CB 3.4Å; V828-Q832 VanDerWaalsContact O-CG 3.29Å; V828-Q832 WeakPolarHBondContact O-CG 3.32Å; V828-Q832 PolarHBondContact O-N 3.01Å
829	I	94.7	Very high	90.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-43.6	173	-66.5	164.9	0	0	0	110.7	V628 L642 F663 I735 I737 L825 S826 Q832 Q833	V628-I829 HydrophobicContact CG1-CD1 4.09Å; V628-I829 HydrophobicContact CG1-CG1 4.27Å; V628-I829 HydrophobicContact CG2-CG2 4.14Å; L642-I829 HydrophobicContact CD1-CD1 3.83Å; F663-I829 HydrophobicContact CE1-CD1 3.85Å; F663-I829 HydrophobicContact CE1-CG2 4.04Å; F663-I829 HydrophobicContact CZ-CD1 3.86Å; F663-I829 HydrophobicContact CZ-CG2 4.08Å; I735-I829 HydrophobicContact CD1-CG2 4.33Å; I737-I829 HydrophobicContact CD1-CD1 4.25Å; I737-I829 HydrophobicContact CD1-CG1 3.43Å; I737-I829 VanDerWaalsContact CD1-CG1 3.43Å; L825-I829 HydrophobicContact CD1-CD1 4.1Å; L825-I829 HydrophobicContact CD1-CG1 4.43Å; L825-I829 HydrophobicContact CG-CD1 4.08Å; L825-I829 VanDerWaalsContact O-CG1 3.29Å; L825-I829 WeakPolarHBondContact O-CG1 3.49Å; L825-I829 PolarHBondContact O-N 3.07Å; S826-I829 PolarHBondContact O-N 3.43Å; I829-Q832 PolarHBondContact O-N 3.41Å; I829-Q833 WeakPolarHBondContact O-CB 2.87Å; I829-Q833 PolarHBondContact O-N 2.82Å
830	R	92.7	Very high	91.2	Very high	91 Å²	91	40.6 Å²	40.6	34%	0.343	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-42.2	177.9	-164	172.4	67.1	109.2	4.7	111.9	E658 I661 S826 E827 N834	E658-R830 IonicContact OE1-NH1 3.63Å; E658-R830 IonicContact OE2-CZ 3.94Å; E658-R830 IonicContact OE2-NH1 3.36Å; E658-R830 PolarHBondContact OE2-NH1 2.58Å; I661-R830 HydrophobicContact CD1-CB 3.78Å; I661-R830 HydrophobicContact CD1-CG 4.07Å; S826-R830 WeakPolarHBondContact O-CB 3.26Å; S826-R830 PolarHBondContact O-N 2.71Å; E827-R830 PolarHBondContact O-N 2.95Å; E827-R830 IonicContact OE1-NE 3.27Å; E827-R830 IonicContact OE2-CZ 3.97Å; E827-R830 VanDerWaalsContact OE2-CZ 3.27Å; E827-R830 IonicContact OE2-NE 3.76Å; E827-R830 PolarHBondContact OE2-NE 3.01Å; E827-R830 IonicContact OE2-NH2 2.67Å; E827-R830 PolarHBondContact OE2-NH2 3.5Å; R830-N834 PolarHBondContact O-N 3.32Å; R830-N834 PolarHBondContact O-ND2 3.16Å
831	H	93.3	Very high	91.8	Very high	108 Å²	108	37.6 Å²	37.6	50%	0.5	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-57.6	174.9	177.3	63.2	0	0	0	110.2	E827 V828 Q833 N834 S835	E827-H831 WeakPolarHBondContact O-CB 3.01Å; E827-H831 PolarHBondContact O-N 2.87Å; V828-H831 PolarHBondContact O-N 3.03Å; H831-Q833 PolarHBondContact O-N 2.6Å; H831-Q833 VanDerWaalsContact O-N 3.17Å; H831-N834 CarbonylContact O-C 3.55Å; H831-N834 WeakPolarHBondContact O-CA 3.44Å; H831-N834 PolarHBondContact O-N 2.83Å; H831-S835 PolarHBondContact CE1-OG 2.85Å; H831-S835 PolarHBondContact NE2-OG 2.89Å; H831-S835 PolarHBondContact O-N 3.37Å; H831-S835 PolarHBondContact O-OG 3.11Å; H831-S835 VanDerWaalsContact O-OG 3.08Å
832	Q	94.9	Very high	91.9	Very high	25 Å²	25	41.1 Å²	41.1	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-26.7	-179.2	-69.6	-69.5	-24.4	0	0	114.1	R626 I735 T801 D802 V828 I829	R626-Q832 PolarHBondContact NH1-O 3.31Å; I735-Q832 HydrophobicContact CB-CB 4.46Å; I735-Q832 HydrophobicContact CD1-CB 4Å; I735-Q832 HydrophobicContact CG1-CB 3.99Å; I735-Q832 HydrophobicContact CG2-CB 3.66Å; I735-Q832 HydrophobicContact CG2-CG 4.11Å; T801-Q832 PolarHBondContact O-NE2 2.86Å; D802-Q832 HydrophobicContact CB-CG 4.03Å; D802-Q832 PolarHBondContact OD2-NE2 2.84Å; V828-Q832 HydrophobicContact CG1-CG 4.43Å; V828-Q832 WeakPolarHBondContact O-CB 3.4Å; V828-Q832 VanDerWaalsContact O-CG 3.29Å; V828-Q832 WeakPolarHBondContact O-CG 3.32Å; V828-Q832 PolarHBondContact O-N 3.01Å; I829-Q832 PolarHBondContact O-N 3.41Å
833	Q	94.8	Very high	92	Very high	19 Å²	19	41.3 Å²	41.3	9%	0.089	20%	0.2	C	C	.	.	H	α-helix	trans	-72.7	-27.6	172.4	179.2	56.6	40.4	0	0	113.3	F622 F624 H714 I735 I829 H831	F622-Q833 PolarHBondContact O-NE2 3.22Å; F624-Q833 PolarHBondContact O-NE2 2.8Å; H714-Q833 PolarHBondContact CE1-OE1 2.76Å; H714-Q833 VanDerWaalsContact CE1-OE1 3.25Å; I735-Q833 HydrophobicContact CD1-CB 4.15Å; I829-Q833 WeakPolarHBondContact O-CB 2.87Å; I829-Q833 PolarHBondContact O-N 2.82Å; H831-Q833 PolarHBondContact O-N 2.6Å; H831-Q833 VanDerWaalsContact O-N 3.17Å
834	N	92.8	Very high	92.2	Very high	73 Å²	73	41.7 Å²	41.7	39%	0.39	21%	0.208	S	C	.	.	H	α-helix	trans	-98.7	-16.5	179.9	-69.7	-62.3	0	0	0	113.3	K621 R830 H831	K621-N834 VanDerWaalsContact CE-OD1 3.23Å; K621-N834 WeakPolarHBondContact CE-OD1 3.49Å; K621-N834 PolarHBondContact NZ-OD1 2.95Å; R830-N834 PolarHBondContact O-N 3.32Å; R830-N834 PolarHBondContact O-ND2 3.16Å; H831-N834 CarbonylContact O-C 3.55Å; H831-N834 WeakPolarHBondContact O-CA 3.44Å; H831-N834 PolarHBondContact O-N 2.83Å
835	S	92.6	Very high	92.2	Very high	23 Å²	23	41.4 Å²	41.4	16%	0.161	20%	0.204	C	C	.	.	S	Bend	trans	-68.6	151.1	174.9	-63.7	0	0	0	0	112.4	H831 V837	H831-S835 PolarHBondContact CE1-OG 2.85Å; H831-S835 PolarHBondContact NE2-OG 2.89Å; H831-S835 PolarHBondContact O-N 3.37Å; H831-S835 PolarHBondContact O-OG 3.11Å; H831-S835 VanDerWaalsContact O-OG 3.08Å; S835-V837 WeakPolarHBondContact O-CG2 3.36Å
836	P	94.4	Very high	92	Very high	72 Å²	72	41.4 Å²	41.4	47%	0.468	20%	0.204	S	C	.	.			trans	-58.5	146	175.1	-26.3	35.5	0	0	0	113.3	Q618 L619 D620	Q618-P836 HydrophobicContact CG-CB 3.91Å; L619-P836 CarbonylContact O-C 3.5Å; L619-P836 VanDerWaalsContact O-CA 3.22Å; L619-P836 WeakPolarHBondContact O-CA 3.37Å; D620-P836 WeakPolarHBondContact O-CA 3.45Å
837	V	94.8	Very high	91.8	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.3	-173.5	-168.9	0	0	0	0	111.4	L619 F622 P733 S835	L619-V837 PolarHBondContact N-O 2.93Å; L619-V837 PolarHBondContact O-N 3.27Å; F622-V837 HydrophobicContact CB-CG2 4.21Å; P733-V837 HydrophobicContact CB-CG1 3.78Å; P733-V837 HydrophobicContact CG-CG1 3.45Å; P733-V837 VanDerWaalsContact CG-CG1 3.45Å; S835-V837 WeakPolarHBondContact O-CG2 3.36Å
838	W	95.6	Very high	91.8	Very high	23 Å²	23	45.8 Å²	45.8	9%	0.087	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.6	175.2	-67.6	97.5	0	0	0	111.6	Y522 R524 I555 V616 V617 Q618	Y522-W838 AromaticContact CD1-CH2 3.42Å; Y522-W838 HydrophobicContact CD1-CH2 3.42Å; Y522-W838 VanDerWaalsContact CD1-CH2 3.42Å; Y522-W838 HydrophobicContact CD1-CZ2 4.43Å; Y522-W838 AromaticContact CD1-CZ3 3.78Å; Y522-W838 HydrophobicContact CD1-CZ3 3.78Å; Y522-W838 HydrophobicContact CD2-CH2 4.27Å; Y522-W838 HydrophobicContact CD2-CZ3 4.12Å; Y522-W838 AromaticContact CE1-CH2 3.65Å; Y522-W838 HydrophobicContact CE1-CH2 3.65Å; Y522-W838 HydrophobicContact CE1-CZ3 4.37Å; Y522-W838 HydrophobicContact CE2-CH2 4.49Å; Y522-W838 AromaticContact CG-CH2 3.76Å; Y522-W838 HydrophobicContact CG-CH2 3.76Å; Y522-W838 AromaticContact CG-CZ3 3.63Å; Y522-W838 HydrophobicContact CG-CZ3 3.63Å; R524-W838 PolarHBondContact NH2-O 3.49Å; I555-W838 HydrophobicContact CD1-CB 3.53Å; I555-W838 VanDerWaalsContact CD1-CD1 3.41Å; I555-W838 HydrophobicContact CD1-CD2 3.5Å; I555-W838 VanDerWaalsContact CD1-CD2 3.5Å; I555-W838 HydrophobicContact CD1-CE3 4.16Å; I555-W838 HydrophobicContact CD1-CG 3.18Å; I555-W838 HydrophobicContact CG2-CD2 4.47Å; I555-W838 HydrophobicContact CG2-CE3 4.32Å; I555-W838 HydrophobicContact CG2-CZ3 4.36Å; V616-W838 HydrophobicContact CB-CE3 4.21Å; V616-W838 HydrophobicContact CG2-CE3 3.75Å; V616-W838 HydrophobicContact CG2-CZ3 4.24Å; V617-W838 WeakPolarHBondContact O-CA 2.97Å; Q618-W838 HydrophobicContact CB-CD2 4.06Å; Q618-W838 HydrophobicContact CB-CE3 3.92Å; Q618-W838 HydrophobicContact CB-CH2 3.96Å; Q618-W838 HydrophobicContact CB-CZ2 4.11Å; Q618-W838 HydrophobicContact CB-CZ3 3.87Å; Q618-W838 HydrophobicContact CG-CD2 4.18Å; Q618-W838 HydrophobicContact CG-CZ2 4.19Å
839	I	94.6	Very high	91.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.5	-177.9	-162.4	167.4	0	0	0	111	V616 V617 L619 F622 G731 T843 F845	V616-I839 CarbonylContact C-O 3.54Å; V616-I839 WeakPolarHBondContact CA-O 3.24Å; V616-I839 WeakPolarHBondContact CB-O 3.24Å; V617-I839 HydrophobicContact CG2-CG2 4.07Å; V617-I839 PolarHBondContact N-O 3.47Å; V617-I839 PolarHBondContact O-N 3.48Å; L619-I839 HydrophobicContact CD1-CD1 4.45Å; L619-I839 HydrophobicContact CD1-CG2 3.94Å; L619-I839 HydrophobicContact CD2-CG2 4.45Å; L619-I839 HydrophobicContact CG-CG2 3.89Å; F622-I839 HydrophobicContact CE2-CD1 4.04Å; G731-I839 WeakPolarHBondContact O-CD1 3.13Å; I839-T843 HydrophobicContact CD1-CG2 4.48Å; I839-T843 WeakPolarHBondContact CD1-OG1 3.37Å; I839-T843 HydrophobicContact CG1-CG2 4.07Å; I839-T843 WeakPolarHBondContact CG1-OG1 3.49Å; I839-F845 HydrophobicContact CD1-CB 4.19Å; I839-F845 HydrophobicContact CD1-CD2 4.09Å
840	G	93.4	Very high	91	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	136	177	0	0	0	0	0	112.9	E614 R615 E842 T843	E614-G840 WeakPolarHBondContact OE1-CA 3.43Å; E614-G840 PolarHBondContact OE1-N 2.83Å; R615-G840 WeakPolarHBondContact O-CA 3.3Å; G840-E842 PolarHBondContact O-N 3.48Å; G840-T843 WeakPolarHBondContact O-CB 3.49Å; G840-T843 WeakPolarHBondContact O-CG2 3.27Å; G840-T843 PolarHBondContact O-N 3.19Å; G840-T843 VanDerWaalsContact O-N 3.1Å; G840-T843 PolarHBondContact O-OG1 2.99Å
841	E	92.3	Very high	90.4	Very high	27 Å²	27	49.7 Å²	49.7	13%	0.126	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.8	177.8	-72.5	-174.8	177.8	0	0	112.6	R615 V617 T843 G846 Q847 I850	R615-E841 HydrophobicContact CB-CB 4.28Å; R615-E841 VanDerWaalsContact CB-CD 3.46Å; R615-E841 HydrophobicContact CB-CG 3.9Å; R615-E841 VanDerWaalsContact CB-OE2 3.32Å; R615-E841 WeakPolarHBondContact CB-OE2 3.11Å; R615-E841 WeakPolarHBondContact CD-OE2 3.2Å; R615-E841 PolarHBondContact O-N 3.23Å; V617-E841 HydrophobicContact CG1-CG 3.96Å; V617-E841 HydrophobicContact CG2-CG 4.48Å; E841-T843 PolarHBondContact O-N 3.49Å; E841-G846 CarbonylContact O-C 3.49Å; E841-Q847 WeakPolarHBondContact O-CG 3.5Å; E841-Q847 PolarHBondContact O-N 3.36Å; E841-I850 HydrophobicContact CB-CD1 3.77Å; E841-I850 HydrophobicContact CG-CD1 3.87Å
842	E	86.4	Confident	89.5	Confident	77 Å²	77	45.9 Å²	45.9	36%	0.36	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.7	-177.8	-61.8	-67.2	175.2	0	0	113.9	G840 Q847 S991 L992 G993	G840-E842 PolarHBondContact O-N 3.48Å; E842-Q847 PolarHBondContact O-NE2 3.32Å; E842-S991 PolarHBondContact OE1-OG 2.87Å; E842-S991 WeakPolarHBondContact OE2-CB 3.43Å; E842-S991 PolarHBondContact OE2-OG 3.32Å; E842-L992 PolarHBondContact OE1-N 3Å; E842-G993 PolarHBondContact OE1-N 2.64Å
843	T	89.7	Confident	88.3	Confident	17 Å²	17	48.6 Å²	48.6	10%	0.104	25%	0.254	C	S	.	.	S	Bend	trans	-80.1	160.1	178.5	69.8	0	0	0	0	111.7	I839 G840 E841 F845 G846 Q847	I839-T843 HydrophobicContact CD1-CG2 4.48Å; I839-T843 WeakPolarHBondContact CD1-OG1 3.37Å; I839-T843 HydrophobicContact CG1-CG2 4.07Å; I839-T843 WeakPolarHBondContact CG1-OG1 3.49Å; G840-T843 WeakPolarHBondContact O-CB 3.49Å; G840-T843 WeakPolarHBondContact O-CG2 3.27Å; G840-T843 PolarHBondContact O-N 3.19Å; G840-T843 VanDerWaalsContact O-N 3.1Å; G840-T843 PolarHBondContact O-OG1 2.99Å; E841-T843 PolarHBondContact O-N 3.49Å; T843-F845 VanDerWaalsContact C-N 3.33Å; T843-F845 PolarHBondContact O-N 3.49Å; T843-G846 WeakPolarHBondContact O-CA 3.27Å; T843-G846 PolarHBondContact O-N 2.72Å; T843-G846 PolarHBondContact OG1-N 2.78Å; T843-G846 VanDerWaalsContact OG1-N 3.16Å; T843-Q847 WeakPolarHBondContact O-CG 3.17Å; T843-Q847 PolarHBondContact O-N 2.93Å
844	E	87.9	Confident	86.7	Confident	147 Å²	147	50.5 Å²	50.5	69%	0.687	26%	0.264	S	S	*	.	H	α-helix	trans	-52.5	-47.4	179.4	-173.1	179.4	178.5	0	0	112.5	L848	E844-L848 HydrophobicContact CG-CD1 4.42Å; E844-L848 VanDerWaalsContact O-CG 3.25Å; E844-L848 WeakPolarHBondContact O-CG 3.3Å; E844-L848 PolarHBondContact O-N 3.28Å; E844-L848 VanDerWaalsContact O-N 3.12Å
845	F	88.8	Confident	84.9	Confident	45 Å²	45	53.5 Å²	53.5	20%	0.197	28%	0.276	C	S	.	.	H	α-helix	trans	-73.9	-29.1	177.5	-52.9	-66	0	0	0	113.4	L619 F622 P623 F624 I839 T843 L848 K849	L619-F845 HydrophobicContact CD1-CB 3.86Å; F622-F845 AromaticContact CE2-CD2 3.97Å; F622-F845 HydrophobicContact CE2-CD2 3.97Å; F622-F845 HydrophobicContact CE2-CE2 4.18Å; F622-F845 HydrophobicContact CZ-CD2 4.12Å; F622-F845 AromaticContact CZ-CE2 3.85Å; F622-F845 HydrophobicContact CZ-CE2 3.85Å; P623-F845 HydrophobicContact CG-CD1 3.84Å; P623-F845 HydrophobicContact CG-CE1 3.54Å; P623-F845 HydrophobicContact CG-CG 4.46Å; P623-F845 HydrophobicContact CG-CZ 3.93Å; F624-F845 HydrophobicContact CD2-CZ 4.03Å; F624-F845 HydrophobicContact CE2-CE1 4.17Å; F624-F845 AromaticContact CE2-CZ 3.77Å; F624-F845 HydrophobicContact CE2-CZ 3.77Å; I839-F845 HydrophobicContact CD1-CB 4.19Å; I839-F845 HydrophobicContact CD1-CD2 4.09Å; T843-F845 VanDerWaalsContact C-N 3.33Å; T843-F845 PolarHBondContact O-N 3.49Å; F845-L848 HydrophobicContact CD1-CD1 4.39Å; F845-K849 PolarHBondContact O-N 3.1Å
846	G	86.6	Confident	83.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-51.8	173.6	0	0	0	0	0	111.4	E841 T843 L848 K849 I850	E841-G846 CarbonylContact O-C 3.49Å; T843-G846 WeakPolarHBondContact O-CA 3.27Å; T843-G846 PolarHBondContact O-N 2.72Å; T843-G846 PolarHBondContact OG1-N 2.78Å; T843-G846 VanDerWaalsContact OG1-N 3.16Å; G846-L848 VanDerWaalsContact C-N 3.32Å; G846-L848 PolarHBondContact O-N 3.38Å; G846-K849 PolarHBondContact O-N 2.62Å; G846-I850 WeakPolarHBondContact O-CG1 3.14Å; G846-I850 PolarHBondContact O-N 2.86Å
847	Q	87.4	Confident	80.9	Confident	81 Å²	81	61.7 Å²	61.7	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-39.5	176.3	-65.3	-177.4	11.8	0	0	112	E841 E842 T843 I850 N851	E841-Q847 WeakPolarHBondContact O-CG 3.5Å; E841-Q847 PolarHBondContact O-N 3.36Å; E842-Q847 PolarHBondContact O-NE2 3.32Å; T843-Q847 WeakPolarHBondContact O-CG 3.17Å; T843-Q847 PolarHBondContact O-N 2.93Å; Q847-I850 PolarHBondContact O-N 2.72Å; Q847-N851 WeakPolarHBondContact O-CB 3.43Å; Q847-N851 PolarHBondContact O-N 2.98Å; Q847-N851 PolarHBondContact O-ND2 3.39Å
848	L	87.7	Confident	78.5	Confident	103 Å²	103	67 Å²	67	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-43.4	175	-73.9	168.4	0	0	0	112.7	E844 F845 G846 N851 G852	E844-L848 HydrophobicContact CG-CD1 4.42Å; E844-L848 VanDerWaalsContact O-CG 3.25Å; E844-L848 WeakPolarHBondContact O-CG 3.3Å; E844-L848 PolarHBondContact O-N 3.28Å; E844-L848 VanDerWaalsContact O-N 3.12Å; F845-L848 HydrophobicContact CD1-CD1 4.39Å; G846-L848 VanDerWaalsContact C-N 3.32Å; G846-L848 PolarHBondContact O-N 3.38Å; L848-N851 PolarHBondContact O-N 3.32Å; L848-G852 PolarHBondContact O-N 2.78Å; L848-G852 VanDerWaalsContact O-N 3.11Å
849	K	86.6	Confident	75.9	Confident	63 Å²	63	74.7 Å²	74.7	27%	0.274	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-40.3	176.6	-174.5	70.1	172.7	-178.4	0	111.3	V617 Q618 L619 D620 F845 G846 L853	V617-K849 HydrophobicContact CG2-CB 4.48Å; Q618-K849 WeakPolarHBondContact O-CE 3.07Å; L619-K849 HydrophobicContact CD2-CB 3.82Å; L619-K849 HydrophobicContact CD2-CD 4.29Å; L619-K849 HydrophobicContact CD2-CG 4.1Å; D620-K849 IonicContact OD1-NZ 2.77Å; D620-K849 IonicContact OD2-NZ 3.19Å; D620-K849 PolarHBondContact OD2-NZ 2.84Å; F845-K849 PolarHBondContact O-N 3.1Å; G846-K849 PolarHBondContact O-N 2.62Å; K849-L853 WeakPolarHBondContact O-CG 3.14Å; K849-L853 PolarHBondContact O-N 3.43Å
850	I	83.1	Confident	73.2	Confident	49 Å²	49	78 Å²	78	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-63.4	-45.5	175.6	-67.1	162	0	0	0	111.3	V617 E841 G846 Q847 G852 L853 I854	V617-I850 HydrophobicContact CG1-CG1 4.15Å; E841-I850 HydrophobicContact CB-CD1 3.77Å; E841-I850 HydrophobicContact CG-CD1 3.87Å; G846-I850 WeakPolarHBondContact O-CG1 3.14Å; G846-I850 PolarHBondContact O-N 2.86Å; Q847-I850 PolarHBondContact O-N 2.72Å; I850-G852 PolarHBondContact O-N 2.88Å; I850-L853 PolarHBondContact O-N 2.9Å; I850-I854 HydrophobicContact CG2-CD1 3.9Å; I850-I854 WeakPolarHBondContact O-CG1 3.33Å; I850-I854 PolarHBondContact O-N 2.87Å; I850-I854 VanDerWaalsContact O-N 3.14Å
851	N	80.6	Confident	70.5	Confident	80 Å²	80	82.1 Å²	82.1	43%	0.428	43%	0.43	S	S	.	.	H	α-helix	trans	-63.4	-41.6	-179.2	-70.1	-21.8	0	0	0	111.9	Q847 L848 L853 I854 E855	Q847-N851 WeakPolarHBondContact O-CB 3.43Å; Q847-N851 PolarHBondContact O-N 2.98Å; Q847-N851 PolarHBondContact O-ND2 3.39Å; L848-N851 PolarHBondContact O-N 3.32Å; N851-L853 PolarHBondContact O-N 2.97Å; N851-I854 PolarHBondContact O-N 2.75Å; N851-I854 VanDerWaalsContact O-N 3.12Å; N851-E855 PolarHBondContact O-N 2.98Å; N851-E855 VanDerWaalsContact O-N 3.14Å
852	G	75.6	Confident	67.6	Low	27 Å²	27	87.5 Å²	87.5	28%	0.278	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-42.4	174.7	0	0	0	0	0	113.1	L848 I850 I854 E855 E856	L848-G852 PolarHBondContact O-N 2.78Å; L848-G852 VanDerWaalsContact O-N 3.11Å; I850-G852 PolarHBondContact O-N 2.88Å; G852-I854 VanDerWaalsContact C-N 3.26Å; G852-I854 PolarHBondContact O-N 3.05Å; G852-E855 PolarHBondContact O-N 3.12Å; G852-E856 PolarHBondContact O-N 3Å; G852-E856 VanDerWaalsContact O-N 3.11Å
853	L	67.9	Low	65	Low	82 Å²	82	90.3 Å²	90.3	43%	0.429	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-29.9	175.6	-67.6	167.8	0	0	0	112.9	K849 I850 N851 E857	K849-L853 WeakPolarHBondContact O-CG 3.14Å; K849-L853 PolarHBondContact O-N 3.43Å; I850-L853 PolarHBondContact O-N 2.9Å; N851-L853 PolarHBondContact O-N 2.97Å; L853-E857 PolarHBondContact O-N 3.41Å
854	I	61.8	Low	62.3	Low	59 Å²	59	95.8 Å²	95.8	30%	0.303	51%	0.51	S	S	.	.	H	α-helix	trans	-74	-34.6	176.9	-67.4	165.9	0	0	0	111.5	I850 N851 G852 Q858	I850-I854 HydrophobicContact CG2-CD1 3.9Å; I850-I854 WeakPolarHBondContact O-CG1 3.33Å; I850-I854 PolarHBondContact O-N 2.87Å; I850-I854 VanDerWaalsContact O-N 3.14Å; N851-I854 PolarHBondContact O-N 2.75Å; N851-I854 VanDerWaalsContact O-N 3.12Å; G852-I854 VanDerWaalsContact C-N 3.26Å; G852-I854 PolarHBondContact O-N 3.05Å; I854-Q858 WeakPolarHBondContact O-CG 3.36Å; I854-Q858 PolarHBondContact O-N 3.04Å
855	E	56.2	Low	59.8	Low	136 Å²	136	94.8 Å²	94.8	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-69.7	-42.5	176.3	-69.3	176	-179.9	0	0	110.9	N851 G852 E857 Q858 E859	N851-E855 PolarHBondContact O-N 2.98Å; N851-E855 VanDerWaalsContact O-N 3.14Å; G852-E855 PolarHBondContact O-N 3.12Å; E855-E857 VanDerWaalsContact C-N 3.34Å; E855-E857 PolarHBondContact O-N 3.4Å; E855-Q858 PolarHBondContact O-N 2.9Å; E855-E859 PolarHBondContact O-N 3.25Å
856	E	53.4	Low	57.3	Low	144 Å²	144	98.6 Å²	98.6	67%	0.673	54%	0.54	S	S	*	.	H	α-helix	trans	-60.4	-37	174.7	-70.9	175.5	-172.4	0	0	113.1	G852 Q858	G852-E856 PolarHBondContact O-N 3Å; G852-E856 VanDerWaalsContact O-N 3.11Å; E856-Q858 VanDerWaalsContact C-N 3.27Å; E856-Q858 PolarHBondContact O-N 3.09Å
857	E	49.5	Very low	54.5	Low	123 Å²	123	108.9 Å²	108.9	58%	0.575	59%	0.585	S	S	*	*	H	α-helix	trans	-70.2	-18.5	173.7	-80.9	-155.1	138.7	0	0	113.6	K446 L853 E855	K446-E857 IonicContact NZ-OE1 2.79Å; K446-E857 PolarHBondContact NZ-OE1 3.45Å; L853-E857 PolarHBondContact O-N 3.41Å; E855-E857 VanDerWaalsContact C-N 3.34Å; E855-E857 PolarHBondContact O-N 3.4Å
858	Q	43.7	Very low	52.1	Low	122 Å²	122	110.2 Å²	110.2	57%	0.57	60%	0.603	S	S	*	*	H	α-helix	trans	-90.9	-31.3	-177.7	-75.1	-171.2	-18.9	0	0	114	I854 E855 E856 G860	I854-Q858 WeakPolarHBondContact O-CG 3.36Å; I854-Q858 PolarHBondContact O-N 3.04Å; E855-Q858 PolarHBondContact O-N 2.9Å; E856-Q858 VanDerWaalsContact C-N 3.27Å; E856-Q858 PolarHBondContact O-N 3.09Å; Q858-G860 PolarHBondContact O-N 3.12Å
859	E	41	Very low	49.5	Very low	183 Å²	183	113.1 Å²	113.1	86%	0.855	62%	0.62	S	S	*	*	H	α-helix	trans	-73.9	-13.6	176.1	-65.2	-164.4	146.4	0	0	113.2	E855	E855-E859 PolarHBondContact O-N 3.25Å
860	G	37	Very low	47	Very low	72 Å²	72	115.5 Å²	115.5	74%	0.742	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	2	-176.1	0	0	0	0	0	117.6	Q858	Q858-G860 PolarHBondContact O-N 3.12Å
861	S	36.5	Very low	44.7	Very low	88 Å²	88	122.5 Å²	122.5	62%	0.615	68%	0.676	S	S	*	*	S	Bend	trans	-112	-10.7	-169.5	68.1	0	0	0	0	118.1
862	D	33.1	Very low	42.5	Very low	139 Å²	139	125 Å²	125	74%	0.743	69%	0.694	S	S	*	*			trans	-98.4	13.1	-161.7	-78.2	16	0	0	0	115.3	V864	D862-V864 VanDerWaalsContact C-N 3.26Å; D862-V864 PolarHBondContact O-N 3.14Å
863	D	31.8	Very low	40.6	Very low	137 Å²	137	130 Å²	130	73%	0.733	72%	0.722	S	S	*	*			trans	-84.6	38.7	-169.4	-125.1	3.7	0	0	0	115.2
864	V	32.7	Very low	38.9	Very low	131 Å²	131	137.5 Å²	137.5	79%	0.794	74%	0.744	S	S	*	*			trans	-147.5	101.9	167.7	-172.7	0	0	0	0	111.5	D862	D862-V864 VanDerWaalsContact C-N 3.26Å; D862-V864 PolarHBondContact O-N 3.14Å
865	V	35.9	Very low	38	Very low	127 Å²	127	140 Å²	140	77%	0.77	77%	0.765	S	S	*	*			trans	-179.6	125.3	138.2	142.5	0	0	0	0	113.3
866	T	34.5	Very low	36.9	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	78%	0.776	S	S	*	*			trans	45.3	114.9	160.2	59.2	0	0	0	0	122.1
867	K	29	Very low	36.1	Very low	216 Å²	216	137.9 Å²	137.9	94%	0.939	78%	0.777	S	S	*	*			trans	-72.4	135.4	152.5	-62.9	173.9	177.7	177.2	0	111.2
868	S	36.7	Very low	35.4	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	79%	0.789	S	S	*	*			trans	-159.5	139.7	154.6	53.5	0	0	0	0	110.6
869	D	32.6	Very low	35.1	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	79%	0.785	S	S	*	*			trans	-81.5	148	-161.4	-46.2	-88.7	0	0	0	116.1
870	S	34.5	Very low	34.8	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	78%	0.778	S	S	*	*			trans	-167.8	111.3	134.7	52	0	0	0	0	115.3
871	E	35.1	Very low	34.7	Very low	195 Å²	195	138.3 Å²	138.3	91%	0.911	78%	0.776	S	S	*	*			trans	50	105.1	138.9	-56.7	-171.7	143.7	0	0	122.7
872	T	34.3	Very low	34.3	Very low	133 Å²	133	141 Å²	141	82%	0.816	78%	0.783	S	S	*	*			trans	-75.6	161.5	152.7	46.4	0	0	0	0	113.6
873	P	34.9	Very low	34.1	Very low	132 Å²	132	139.6 Å²	139.6	86%	0.857	78%	0.782	S	S	*	*				-119.9	169.1	128.4	0.7	20.1	0	0	0	114.5
874	R	32	Very low	34	Very low	239 Å²	239	137.5 Å²	137.5	90%	0.902	78%	0.778	S	S	*	*			trans	-120.8	-166	-157.3	-136.2	-162.5	-168.8	-153.7	7.5	112.1
875	P	43.1	Very low	33.9	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	78%	0.777	S	S	*	*				-121.1	-165.9	-126.5	42.9	-24	0	0	0	114.2
876	A	34.8	Very low	33.6	Very low	105 Å²	105	140.3 Å²	140.3	87%	0.868	78%	0.779	S	S	*	*			trans	-133	153.8	162.5	0	0	0	0	0	111.7
877	N	34.9	Very low	33.5	Very low	129 Å²	129	142.9 Å²	142.9	69%	0.69	78%	0.783	S	S	*	*			trans	-118	162.8	-161.9	-168.9	36.7	0	0	0	111.6	D879	N877-D879 PolarHBondContact ND2-OD2 3.33Å
878	C	35.4	Very low	33.5	Very low	122 Å²	122	140.3 Å²	140.3	82%	0.824	77%	0.774	S	S	*	*			trans	174.7	96.3	136.9	-95.5	0	0	0	0	113.3
879	D	37.4	Very low	33.1	Very low	94 Å²	94	139.4 Å²	139.4	50%	0.503	76%	0.764	S	S	.	*				13.4	153.5	121.7	-66.8	-67	0	0	0	120.7	N877	N877-D879 PolarHBondContact ND2-OD2 3.33Å
880	K	33.8	Very low	32.9	Very low	160 Å²	160	141 Å²	141	70%	0.696	76%	0.758	S	S	*	*			cis	177.7	172.1	-18.9	-117.2	-174.1	-161.9	117.5	0	108.5
881	N	35	Very low	32.9	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	76%	0.756	S	S	*	*			trans	75.5	153.4	160	-56.1	-21.8	0	0	0	118
882	I	29.7	Very low	32.7	Very low	145 Å²	145	138.5 Å²	138.5	74%	0.744	74%	0.743	S	S	*	*			cis	-174	161.1	-35	-110.3	163.2	0	0	0	107.6
883	C	29	Very low	32.7	Very low	108 Å²	108	136.5 Å²	136.5	73%	0.73	74%	0.735	S	S	*	*			trans	76.1	101.4	165.5	-79.1	0	0	0	0	121.5
884	S	29.2	Very low	32.6	Very low	93 Å²	93	140 Å²	140	65%	0.65	73%	0.731	S	S	*	*				49.8	144.9	107.3	63.4	0	0	0	0	124.3
885	E	30.9	Very low	32.6	Very low	167 Å²	167	135 Å²	135	78%	0.78	72%	0.722	S	S	*	*			trans	84.5	105.2	154.6	-74.2	165.1	-152.6	0	0	120.3
886	D	29.3	Very low	32.3	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	72%	0.719	S	S	*	*				65.3	155.5	121.5	-61	-9.9	0	0	0	124.6
887	E	32.6	Very low	32.3	Very low	179 Å²	179	137.3 Å²	137.3	84%	0.836	71%	0.71	S	S	*	*			trans	62.9	112.5	175	-55.3	-144.1	151.2	0	0	118.6
888	E	29.2	Very low	32.1	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	71%	0.707	S	S	*	*				84.6	137.7	71.3	-129.6	-161.9	-141.3	0	0	114.8
889	T	28.4	Very low	32	Very low	91 Å²	91	138.2 Å²	138.2	56%	0.558	71%	0.708	S	S	*	*			trans	78.4	109.1	161.1	64.1	0	0	0	0	122.5
890	R	28.2	Very low	31.6	Very low	199 Å²	199	145.2 Å²	145.2	75%	0.751	73%	0.727	S	S	*	*				93.8	127.6	113.2	-77.4	174.1	-166.7	-170.1	6.9	121.6
891	H	33.7	Very low	31.7	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.755	73%	0.725	S	S	*	*			trans	74	147.2	142.8	-58.1	-27.8	0	0	0	118.2
892	S	30.8	Very low	31.4	Very low	91 Å²	91	144.3 Å²	144.3	64%	0.636	73%	0.73	S	S	*	*			cis	-170.9	172.3	-23.6	66.9	0	0	0	0	108.9
893	S	34	Very low	31.5	Very low	92 Å²	92	144.6 Å²	144.6	64%	0.643	73%	0.73	S	S	*	*			trans	73.6	147.2	150.8	-58.4	0	0	0	0	117.6
894	R	33.3	Very low	31.5	Very low	205 Å²	205	146.2 Å²	146.2	77%	0.774	73%	0.731	S	S	*	*			cis	-167.6	144.9	-6.4	-116.4	173.2	177.2	172.8	-1	109.6
895	N	32.7	Very low	31.5	Very low	134 Å²	134	145.2 Å²	145.2	72%	0.717	74%	0.736	S	S	*	*			trans	59.7	157.5	141.7	-59.1	-3.9	0	0	0	118.7
896	T	36.1	Very low	31.4	Very low	109 Å²	109	146.1 Å²	146.1	67%	0.669	74%	0.742	S	S	*	*			cis	-158.5	141.2	22.2	-12.7	0	0	0	0	110.6
897	K	34.1	Very low	31.5	Very low	158 Å²	158	143.9 Å²	143.9	69%	0.687	73%	0.734	S	S	*	*				43.8	146.9	124.2	-69.1	178.7	156.3	-113.1	0	120.6
898	E	32.2	Very low	31.4	Very low	134 Å²	134	145.6 Å²	145.6	63%	0.626	73%	0.732	S	S	*	*			cis	-168	167.6	0.8	-121.3	158.8	178.8	0	0	112.5
899	T	32	Very low	31.4	Very low	136 Å²	136	143.6 Å²	143.6	83%	0.834	73%	0.727	S	S	*	*			trans	73.4	121.1	151.4	40.3	0	0	0	0	124.4
900	R	29.6	Very low	31.5	Very low	240 Å²	240	146.6 Å²	146.6	91%	0.906	73%	0.734	S	S	*	*			trans	-68	-174.9	151.8	-94.5	-179.8	173.6	177.3	-2.7	112.1
901	P	36	Very low	31.5	Very low	102 Å²	102	142.8 Å²	142.8	66%	0.662	73%	0.733	S	S	*	*			cis	-140.2	176.3	8.1	37.7	-16.1	0	0	0	118.5
902	E	29.1	Very low	31.3	Very low	174 Å²	174	140 Å²	140	81%	0.813	73%	0.732	S	S	*	*			trans	68	146.8	136.7	-83.2	170.1	-159.1	0	0	127.8
903	M	30.1	Very low	31.2	Very low	151 Å²	151	140.7 Å²	140.7	74%	0.744	74%	0.737	S	S	*	*			trans	87.8	112.1	148.6	-83	-162.4	170.3	0	0	124.4
904	N	30.4	Very low	31.2	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	74%	0.744	S	S	*	*				76.9	138.5	126	-63.2	-7.7	0	0	0	124.1
905	G	29.6	Very low	31.2	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	75%	0.746	S	S	*	*			trans	95	87.5	146.4	0	0	0	0	0	116.3
906	M	28.5	Very low	31.2	Very low	185 Å²	185	139.7 Å²	139.7	91%	0.911	75%	0.75	S	S	*	*				78.8	144.6	69.1	-160.1	176.3	106.9	0	0	114.5
907	V	30	Very low	30.9	Very low	104 Å²	104	142.8 Å²	142.8	63%	0.63	76%	0.756	S	S	*	*			trans	105.3	92.1	161	-171.1	0	0	0	0	119.2
908	R	30.5	Very low	30.7	Very low	214 Å²	214	142.5 Å²	142.5	81%	0.808	76%	0.763	S	S	*	*				78.6	130.6	128.8	-69	-177.4	-177.1	168.4	-0.8	124.9
909	N	30.1	Very low	30.8	Very low	120 Å²	120	143.9 Å²	143.9	64%	0.642	77%	0.774	S	S	*	*				59.5	143.9	126.6	-57.1	31.2	0	0	0	119.4
910	E	29.8	Very low	30.8	Very low	153 Å²	153	145 Å²	145	72%	0.715	77%	0.767	S	S	*	*			cis	-165.2	158.1	0.3	-119.5	171.4	-131.1	0	0	111.2
911	V	29.7	Very low	30.6	Very low	120 Å²	120	144.2 Å²	144.2	73%	0.727	77%	0.766	S	S	*	*			trans	72.4	127.7	145.2	173.8	0	0	0	0	122.3
912	S	29.1	Very low	30.4	Very low	104 Å²	104	146 Å²	146	73%	0.727	77%	0.768	S	S	*	*			trans	88.7	102.7	150	-79.8	0	0	0	0	123.5
913	S	28.7	Very low	30.5	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	76%	0.758	S	S	*	*				116.2	141.8	110.3	72.6	0	0	0	0	120.8
914	T	33	Very low	30.4	Very low	129 Å²	129	140.4 Å²	140.4	79%	0.791	76%	0.758	S	S	*	*			trans	73.4	93.2	161.8	47.1	0	0	0	0	122.2
915	I	33.6	Very low	30.3	Very low	160 Å²	160	143 Å²	143	82%	0.821	76%	0.763	S	S	*	*				16.8	139.5	118.8	-66.6	174	0	0	0	117.2
916	P	32.9	Very low	30.3	Very low	121 Å²	121	150.3 Å²	150.3	79%	0.786	77%	0.769	S	S	*	*			cis	-135.1	162.4	33.7	24.2	-0.2	0	0	0	119
917	E	29.6	Very low	30.2	Very low	173 Å²	173	150.5 Å²	150.5	81%	0.808	77%	0.767	S	S	*	*			trans	-87.4	142.3	168.4	-61.8	-176.8	139.8	0	0	112.6
918	N	30.9	Very low	30	Very low	153 Å²	153	151.4 Å²	151.4	82%	0.818	77%	0.773	S	S	*	*			trans	-157.6	102.1	161.8	-155.5	10.8	0	0	0	109.9
919	N	34	Very low	29.7	Very low	162 Å²	162	145.8 Å²	145.8	87%	0.866	76%	0.764	S	S	*	*			trans	176.5	106.8	153.5	-93.3	-23.9	0	0	0	111	Y921	N919-Y921 PolarHBondContact O-N 3.14Å
920	K	30.8	Very low	29.5	Very low	160 Å²	160	146.1 Å²	146.1	70%	0.696	77%	0.77	S	S	*	*			trans	-72.7	122.9	166.9	-75.5	-177.3	174.7	-174.6	0	109.4	I922 M985	K920-I922 PolarHBondContact O-N 3.44Å; K920-M985 HydrophobicContact CD-CE 3.77Å; K920-M985 PolarHBondContact NZ-SD 2.73Å; K920-M985 VanDerWaalsContact NZ-SD 3.45Å
921	Y	27.3	Very low	29.3	Very low	224 Å²	224	143.9 Å²	143.9	88%	0.878	77%	0.77	S	S	*	*			trans	-80.3	102.8	175.7	-146.2	-93.2	0	0	0	109.8	N919	N919-Y921 PolarHBondContact O-N 3.14Å
922	I	30.8	Very low	29.1	Very low	138 Å²	138	141.6 Å²	141.6	71%	0.708	75%	0.751	S	S	*	*			trans	-83.7	123.6	171.1	-61.2	169.6	0	0	0	107.3	K920	K920-I922 PolarHBondContact O-N 3.44Å
923	P	31.3	Very low	29.1	Very low	93 Å²	93	141.3 Å²	141.3	60%	0.604	76%	0.755	S	S	*	*			trans	-66.8	131.5	171.6	28.6	-32.5	0	0	0	108.9	F925	P923-F925 PolarHBondContact O-N 3.27Å; P923-F925 VanDerWaalsContact O-N 3.1Å
924	P	28.6	Very low	29.1	Very low	115 Å²	115	141.7 Å²	141.7	75%	0.747	75%	0.749	S	S	*	*			trans	-74.1	109.7	-170.3	28.3	-34.2	0	0	0	111.2	R926	P924-R926 VanDerWaalsContact C-N 3.34Å; P924-R926 PolarHBondContact O-N 3.23Å
925	F	28.4	Very low	28.7	Very low	197 Å²	197	142.1 Å²	142.1	86%	0.864	74%	0.742	S	S	*	*			trans	-63.4	95.8	160	-81.5	-87.6	0	0	0	109	P923 Q927	P923-F925 PolarHBondContact O-N 3.27Å; P923-F925 VanDerWaalsContact O-N 3.1Å; F925-Q927 PolarHBondContact O-N 3.11Å; F925-Q927 VanDerWaalsContact O-N 3.09Å
926	R	28.3	Very low	28.6	Very low	226 Å²	226	141.5 Å²	141.5	85%	0.853	75%	0.745	S	S	*	*			trans	-69.9	100.8	158.8	-94.3	-172.6	172.1	-179.6	-1.9	107.6	P924 V928	P924-R926 VanDerWaalsContact C-N 3.34Å; P924-R926 PolarHBondContact O-N 3.23Å; R926-V928 PolarHBondContact O-N 3.18Å
927	Q	25.9	Very low	28.3	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	74%	0.742	S	S	*	*			trans	-54	109.5	158.1	-73.8	172.7	-33.9	0	0	107.9	F925	F925-Q927 PolarHBondContact O-N 3.11Å; F925-Q927 VanDerWaalsContact O-N 3.09Å
928	V	26.4	Very low	28.2	Very low	123 Å²	123	140.5 Å²	140.5	75%	0.745	73%	0.732	S	S	*	*			trans	-91.4	116.6	165.1	-179	0	0	0	0	105.6	R926 V930	R926-V928 PolarHBondContact O-N 3.18Å; V928-V930 PolarHBondContact O-N 3.22Å
929	P	24.6	Very low	28.2	Very low	97 Å²	97	137.1 Å²	137.1	63%	0.63	71%	0.714	S	S	*	*			trans	-66.3	133.2	179.3	27.4	-33.1	0	0	0	109.8	C931	P929-C931 PolarHBondContact O-N 2.97Å
930	V	25.6	Very low	28	Very low	126 Å²	126	133.1 Å²	133.1	76%	0.764	70%	0.695	S	S	*	*			trans	-71.3	110.6	169.6	177.9	0	0	0	0	107.5	V928	V928-V930 PolarHBondContact O-N 3.22Å
931	C	26.7	Very low	27.8	Very low	106 Å²	106	130.8 Å²	130.8	72%	0.716	69%	0.69	S	S	*	*			trans	-98.9	107	174	-62.4	0	0	0	0	109.4	P929 A933	P929-C931 PolarHBondContact O-N 2.97Å; C931-A933 PolarHBondContact O-N 3.16Å
932	H	25.3	Very low	27.9	Very low	73 Å²	73	127.3 Å²	127.3	34%	0.338	68%	0.68	S	S	.	*			trans	-61.4	133.9	164.5	-54.1	-44.8	0	0	0	109.4	E357	E357-H932 WeakPolarHBondContact CG-CE1 3.35Å; E357-H932 PolarHBondContact O-CD2 2.92Å; E357-H932 PolarHBondContact O-NE2 3.4Å; E357-H932 IonicContact OE1-CE1 2.68Å; E357-H932 IonicContact OE2-CE1 3.56Å; E357-H932 PolarHBondContact OE2-CE1 2.79Å; E357-H932 IonicContact OE2-CG 3.47Å; E357-H932 IonicContact OE2-ND1 3.61Å; E357-H932 PolarHBondContact OE2-ND1 3.35Å; E357-H932 IonicContact OE2-NE2 3.36Å
933	A	29.4	Very low	27.8	Very low	97 Å²	97	127 Å²	127	80%	0.802	68%	0.679	S	S	*	*			trans	-137.9	116.8	168.3	0	0	0	0	0	109.1	C931	C931-A933 PolarHBondContact O-N 3.16Å
934	N	27.4	Very low	27.8	Very low	115 Å²	115	129.1 Å²	129.1	62%	0.615	69%	0.691	S	S	*	*			trans	-72.2	166	-173.1	-69.4	-53.9	0	0	0	113.5
935	E	25.8	Very low	27.6	Very low	138 Å²	138	128.5 Å²	128.5	65%	0.645	69%	0.69	S	S	*	*			trans	-36.7	137.6	167	-53.9	-179.2	143.1	0	0	115.4	N354	N354-E935 PolarHBondContact ND2-OE2 2.74Å
936	V	30.2	Very low	27.7	Very low	146 Å²	146	130 Å²	130	89%	0.885	69%	0.691	S	S	*	*			trans	-136.5	115.4	146.5	-178.9	0	0	0	0	108.2
937	M	26.6	Very low	27.5	Very low	145 Å²	145	129.1 Å²	129.1	71%	0.714	69%	0.693	S	S	*	*			trans	-82.9	149.7	172.8	-82.3	-147.5	-61.8	0	0	112.3
938	E	29	Very low	27.7	Very low	129 Å²	129	125 Å²	125	60%	0.603	69%	0.685	S	S	*	*			trans	63.9	148.1	145.9	-77.2	-168.2	170.1	0	0	118.5	Q347	Q347-E938 PolarHBondContact NE2-OE2 2.68Å
939	N	29.2	Very low	27.8	Very low	81 Å²	81	128.3 Å²	128.3	43%	0.433	69%	0.69	S	S	.	*			cis	-160.5	167.4	16.5	-133.7	-27	0	0	0	114.9	Q347	Q347-N939 PolarHBondContact NE2-ND2 3.36Å
940	T	29.6	Very low	27.8	Very low	79 Å²	79	129.7 Å²	129.7	49%	0.485	70%	0.697	S	S	.	*			trans	71	102.8	145.5	53.4	0	0	0	0	123	W345	W345-T940 HydrophobicContact CZ2-CG2 3.52Å
941	N	28.4	Very low	28	Very low	111 Å²	111	133 Å²	133	59%	0.594	70%	0.701	S	S	*	*				89.1	130.3	107.6	-82	-25	0	0	0	124.9	W345	W345-N941 WeakPolarHBondContact CH2-ND2 3.42Å; W345-N941 WeakPolarHBondContact CZ2-ND2 3.44Å
942	K	28.6	Very low	28	Very low	150 Å²	150	134.8 Å²	134.8	65%	0.652	70%	0.703	S	S	*	*			trans	95.5	117.6	136.3	-78.4	174.5	179	-177.4	0	121.1
943	D	28.3	Very low	28.1	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	73%	0.73	S	S	*	*			trans	47.7	117.2	132.1	-49.6	-31.9	0	0	0	117.7
944	T	30.8	Very low	27.9	Very low	139 Å²	139	142.7 Å²	142.7	85%	0.853	73%	0.726	S	S	*	*				-165.8	153	81.2	21.7	0	0	0	0	113.7
945	S	25.7	Very low	27.7	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	73%	0.734	S	S	*	*			trans	-69.2	143.4	175.8	56.8	0	0	0	0	114.1
946	Y	29.2	Very low	27.8	Very low	229 Å²	229	143.8 Å²	143.8	90%	0.898	75%	0.745	S	S	*	*			trans	-139.9	124.3	147.6	-108.3	-81.4	0	0	0	112.8
947	K	25.2	Very low	27.5	Very low	206 Å²	206	143.3 Å²	143.3	90%	0.896	74%	0.742	S	S	*	*			trans	-98	126.2	170.4	-78.1	179.8	172.9	178.5	0	110.1
948	S	29.2	Very low	27.6	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	74%	0.741	S	S	*	*			trans	-159.6	105	155.3	44.2	0	0	0	0	109.4
949	K	28.1	Very low	27.4	Very low	194 Å²	194	141.7 Å²	141.7	84%	0.843	75%	0.748	S	S	*	*				77.1	92.3	95.2	-78.9	-175.4	175.8	178.8	0	114.5
950	T	26	Very low	27.5	Very low	126 Å²	126	147.4 Å²	147.4	77%	0.773	77%	0.769	S	S	*	*				31.4	121.5	124.5	57	0	0	0	0	118.7
951	K	28.4	Very low	27.4	Very low	195 Å²	195	149.6 Å²	149.6	85%	0.848	78%	0.778	S	S	*	*				-162.9	132.8	124.1	-112.7	171	-176.1	-178.6	0	112.5
952	D	27.1	Very low	27.3	Very low	144 Å²	144	151.5 Å²	151.5	77%	0.77	79%	0.788	S	S	*	*			trans	-63.8	149	167.6	-41.3	-91.3	0	0	0	110.9
953	Y	28.4	Very low	27.3	Very low	228 Å²	228	149.3 Å²	149.3	89%	0.894	80%	0.798	S	S	*	*			trans	-150	144.9	144.4	-105.9	-73.2	0	0	0	111.2
954	C	24.8	Very low	27.2	Very low	108 Å²	108	150.1 Å²	150.1	73%	0.73	80%	0.802	S	S	*	*			trans	-85.7	165	-163.1	-62	0	0	0	0	114.9
955	N	24	Very low	27.2	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	80%	0.799	S	S	*	*			trans	29.7	115.2	141.1	-62.1	-2.7	0	0	0	119.2
956	C	26.3	Very low	27.3	Very low	129 Å²	129	149.8 Å²	149.8	87%	0.872	80%	0.798	S	S	*	*			trans	-125.1	98	143.8	-80.8	0	0	0	0	109.7
957	T	24.3	Very low	27.3	Very low	135 Å²	135	145.4 Å²	145.4	83%	0.828	79%	0.79	S	S	*	*			trans	-76.3	127.4	156	43.8	0	0	0	0	108.8
958	C	28.8	Very low	27.4	Very low	101 Å²	101	144 Å²	144	68%	0.682	79%	0.787	S	S	*	*			trans	-137.7	103.1	163.5	41.7	0	0	0	0	109.9
959	N	25.8	Very low	27.4	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	80%	0.798	S	S	*	*			trans	-60.6	143	158.1	-67.8	-6.6	0	0	0	108.3
960	F	29.6	Very low	27.4	Very low	202 Å²	202	147.9 Å²	147.9	89%	0.886	80%	0.797	S	S	*	*			trans	-131.9	122.5	151.3	-96.8	-77.7	0	0	0	109.2
961	D	28.3	Very low	27.5	Very low	125 Å²	125	147.7 Å²	147.7	67%	0.668	80%	0.796	S	S	*	*			trans	-75.9	151.9	-170.4	-69.4	-76.2	0	0	0	114.1
962	N	26.2	Very low	27.4	Very low	151 Å²	151	147 Å²	147	81%	0.807	79%	0.793	S	S	*	*			trans	42.6	112.2	138.2	-62.6	-39.5	0	0	0	120.1
963	A	29.2	Very low	27.4	Very low	103 Å²	103	148.9 Å²	148.9	85%	0.851	79%	0.794	S	S	*	*			trans	-156.3	94.3	131.2	0	0	0	0	0	111.4
964	N	26	Very low	27.3	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	79%	0.785	S	S	*	*			trans	-91.4	146.6	161.7	-139.1	-1	0	0	0	108
965	P	31.6	Very low	27.3	Very low	122 Å²	122	147.6 Å²	147.6	79%	0.792	78%	0.783	S	S	*	*			trans	-130.8	111.5	140.2	33.4	-22.2	0	0	0	112
966	T	26	Very low	27.5	Very low	113 Å²	113	148.4 Å²	148.4	69%	0.693	79%	0.786	S	S	*	*			trans	-61.8	140	154.1	41.7	0	0	0	0	111.1
967	N	30	Very low	27.4	Very low	136 Å²	136	149.9 Å²	149.9	73%	0.727	78%	0.783	S	S	*	*			trans	-176.3	114	133.9	-88.2	-13.3	0	0	0	107.5
968	Q	28	Very low	27.5	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	78%	0.778	S	S	*	*				63.6	97	92.4	-74	-169.6	-22.9	0	0	113.7
969	E	29.1	Very low	27.4	Very low	203 Å²	203	153.8 Å²	153.8	95%	0.949	78%	0.782	S	S	*	*				-154	139.1	123.2	-117.4	175.4	-164.7	0	0	110.7
970	E	27.6	Very low	27.5	Very low	174 Å²	174	153.9 Å²	153.9	81%	0.813	79%	0.788	S	S	*	*			trans	-99.4	151.9	-169.8	-67	175.8	113.4	0	0	112.5
971	T	27.5	Very low	27.3	Very low	122 Å²	122	151.5 Å²	151.5	75%	0.748	79%	0.785	S	S	*	*			trans	55.7	116.3	150.9	56.8	0	0	0	0	119.9
972	K	27.1	Very low	27.2	Very low	180 Å²	180	151.9 Å²	151.9	78%	0.783	79%	0.785	S	S	*	*				176.3	152.3	116.9	-100.5	161.6	-178.7	169.5	0	115.3
973	F	27.5	Very low	27.2	Very low	183 Å²	183	152.4 Å²	152.4	80%	0.803	79%	0.787	S	S	*	*			trans	61.8	112.6	170.6	-60.9	-72.5	0	0	0	116.9
974	K	26.1	Very low	27	Very low	161 Å²	161	152.5 Å²	152.5	70%	0.7	78%	0.782	S	S	*	*				68.3	121	62.2	-90.8	-172.3	160.6	-108	0	114.9
975	E	24.7	Very low	27	Very low	148 Å²	148	151.5 Å²	151.5	69%	0.692	77%	0.773	S	S	*	*			trans	40.8	105.8	143.7	-66.1	161.1	127.7	0	0	118.3
976	I	27.2	Very low	26.6	Very low	164 Å²	164	153 Å²	153	84%	0.841	78%	0.775	S	S	*	*			trans	-148.8	127.1	132.1	-93.3	135.5	0	0	0	107.8
977	I	25.7	Very low	26.6	Very low	161 Å²	161	155 Å²	155	83%	0.826	78%	0.781	S	S	*	*			trans	-85.1	126	163.4	-67.2	161	0	0	0	105.8
978	E	26.5	Very low	26.5	Very low	154 Å²	154	152.4 Å²	152.4	72%	0.72	77%	0.774	S	S	*	*			trans	-174.5	124.4	143.7	-107.2	159.6	-163.1	0	0	113.8
979	Q	25.1	Very low	26.4	Very low	164 Å²	164	149.5 Å²	149.5	77%	0.766	77%	0.77	S	S	*	*			trans	42.5	113.7	135.5	-61.1	174.7	8.5	0	0	119.8
980	T	27.6	Very low	26.3	Very low	140 Å²	140	147.8 Å²	147.8	86%	0.859	76%	0.76	S	S	*	*			trans	-146.1	84.7	141.9	0.5	0	0	0	0	109.7
981	D	25.8	Very low	26.6	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	73%	0.734	S	S	*	*			trans	-58	132.8	151.1	-80.7	-54.6	0	0	0	108.4
982	I	26.3	Very low	27	Very low	133 Å²	133	138.2 Å²	138.2	68%	0.682	71%	0.713	S	S	*	*			trans	-174	101.2	144.8	-89.2	142	0	0	0	106.9
983	L	27.6	Very low	27.3	Very low	161 Å²	161	130.5 Å²	130.5	84%	0.843	68%	0.684	S	S	*	*			trans	173.3	65.9	135.2	-92	179.9	0	0	0	109.2	M985	L983-M985 PolarHBondContact O-N 2.81Å
984	S	24.2	Very low	27.6	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	67%	0.67	S	S	*	*			trans	-74.7	106.7	167.7	50.5	0	0	0	0	110.3
985	M	25.1	Very low	28	Very low	126 Å²	126	121.3 Å²	121.3	62%	0.621	65%	0.653	S	S	*	*			trans	-107.9	101.4	156	-81.3	-70.9	-158.6	0	0	107.9	K920 L983 N987	K920-M985 HydrophobicContact CD-CE 3.77Å; K920-M985 PolarHBondContact NZ-SD 2.73Å; K920-M985 VanDerWaalsContact NZ-SD 3.45Å; L983-M985 PolarHBondContact O-N 2.81Å; M985-N987 PolarHBondContact O-N 2.8Å
986	N	23.3	Very low	28.5	Very low	153 Å²	153	116.6 Å²	116.6	82%	0.818	63%	0.629	S	S	*	*			trans	-62	106.7	174.1	-65.1	-47.7	0	0	0	109.5
987	N	27	Very low	28.9	Very low	156 Å²	156	113.4 Å²	113.4	83%	0.834	61%	0.613	S	S	*	*			trans	-129.7	146	161.2	-90.3	-20.7	0	0	0	109.4	M985	M985-N987 PolarHBondContact O-N 2.8Å
988	S	27	Very low	29.2	Very low	82 Å²	82	111.2 Å²	111.2	57%	0.573	60%	0.6	S	S	*	*			trans	-80.6	148.6	-157	51	0	0	0	0	114.8	F990	S988-F990 VanDerWaalsContact C-N 3.35Å; S988-F990 PolarHBondContact O-N 3.37Å
989	P	25.7	Very low	29.7	Very low	115 Å²	115	106.7 Å²	106.7	75%	0.747	58%	0.58	S	S	*	*			trans	-81	79.1	179.4	34.2	-35	0	0	0	111.1
990	F	27.4	Very low	30.2	Very low	168 Å²	168	101.4 Å²	101.4	74%	0.737	56%	0.555	S	S	*	*			trans	-123	88.8	168.8	-70.8	-76.7	0	0	0	109.1	S988	S988-F990 VanDerWaalsContact C-N 3.35Å; S988-F990 PolarHBondContact O-N 3.37Å
991	S	34.1	Very low	30.5	Very low	38 Å²	38	98.2 Å²	98.2	27%	0.266	54%	0.538	S	S	.	.			trans	-125	120.4	177.4	159.8	0	0	0	0	107.3	E842 G993 T994	E842-S991 PolarHBondContact OE1-OG 2.87Å; E842-S991 WeakPolarHBondContact OE2-CB 3.43Å; E842-S991 PolarHBondContact OE2-OG 3.32Å; S991-G993 PolarHBondContact O-N 3.29Å; S991-G993 PolarHBondContact OG-N 3.09Å; S991-T994 PolarHBondContact O-N 3.42Å; S991-T994 VanDerWaalsContact O-N 3.1Å
992	L	35.2	Very low	30.8	Very low	57 Å²	57	97.3 Å²	97.3	30%	0.298	53%	0.531	S	S	.	.	H	α-helix	trans	-61.6	-33	177.7	-89.7	146.1	0	0	0	110.5	E485 E842 T994 L995 R996	E485-L992 WeakPolarHBondContact OE1-CD2 3.08Å; E842-L992 PolarHBondContact OE1-N 3Å; L992-T994 PolarHBondContact O-N 3.21Å; L992-L995 PolarHBondContact O-N 3.01Å; L992-R996 WeakPolarHBondContact O-CB 3.35Å; L992-R996 PolarHBondContact O-N 2.86Å
993	G	34.4	Very low	31.3	Very low	17 Å²	17	94.8 Å²	94.8	18%	0.175	53%	0.525	C	S	.	.	H	α-helix	trans	-53.3	-32.2	171.7	0	0	0	0	0	114.4	E842 S991 R996 L997	E842-G993 PolarHBondContact OE1-N 2.64Å; S991-G993 PolarHBondContact O-N 3.29Å; S991-G993 PolarHBondContact OG-N 3.09Å; G993-R996 PolarHBondContact O-N 3.14Å; G993-L997 WeakPolarHBondContact O-CB 3.22Å; G993-L997 VanDerWaalsContact O-CG 3.29Å; G993-L997 WeakPolarHBondContact O-CG 3.44Å; G993-L997 PolarHBondContact O-N 3.08Å
994	T	34.6	Very low	31.4	Very low	82 Å²	82	91.8 Å²	91.8	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-71.4	-33.6	177	-57.5	0	0	0	0	112.4	S991 L992 H998	S991-T994 PolarHBondContact O-N 3.42Å; S991-T994 VanDerWaalsContact O-N 3.1Å; L992-T994 PolarHBondContact O-N 3.21Å; T994-H998 PolarHBondContact O-N 3.01Å
995	L	34.4	Very low	31.5	Very low	69 Å²	69	96 Å²	96	36%	0.361	51%	0.513	S	S	.	.	H	α-helix	trans	-76.9	-38.7	173.2	-93.7	158.8	0	0	0	111.5	W481 L992 H998 I999	W481-L995 HydrophobicContact CH2-CD1 3.76Å; W481-L995 HydrophobicContact CH2-CD2 4.38Å; W481-L995 HydrophobicContact CZ2-CD1 3.5Å; L992-L995 PolarHBondContact O-N 3.01Å; L995-H998 WeakPolarHBondContact O-CB 3.24Å; L995-H998 PolarHBondContact O-N 2.81Å; L995-H998 VanDerWaalsContact O-N 3.11Å; L995-I999 WeakPolarHBondContact O-CG1 3.41Å; L995-I999 PolarHBondContact O-N 3.25Å
996	R	35.4	Very low	31.7	Very low	49 Å²	49	97.5 Å²	97.5	19%	0.185	52%	0.519	C	S	.	.	H	α-helix	trans	-55.9	-54.4	175.1	-158.8	-179.4	-161.2	-158.6	4.4	111.6	E588 Y613 L992 G993 H998 I999 E1000	E588-R996 VanDerWaalsContact OE1-CG 3.3Å; E588-R996 WeakPolarHBondContact OE1-CG 3.38Å; E588-R996 IonicContact OE1-CZ 2.6Å; E588-R996 IonicContact OE1-NE 3.83Å; E588-R996 PolarHBondContact OE1-NE 3.01Å; E588-R996 IonicContact OE1-NH2 2.75Å; E588-R996 IonicContact OE2-CZ 2.69Å; E588-R996 VanDerWaalsContact OE2-CZ 3.23Å; E588-R996 IonicContact OE2-NE 2.89Å; E588-R996 PolarHBondContact OE2-NE 3.3Å; E588-R996 IonicContact OE2-NH2 3.19Å; E588-R996 PolarHBondContact OE2-NH2 2.96Å; Y613-R996 PolarHBondContact O-NH1 3.28Å; Y613-R996 PolarHBondContact O-NH2 3.29Å; L992-R996 WeakPolarHBondContact O-CB 3.35Å; L992-R996 PolarHBondContact O-N 2.86Å; G993-R996 PolarHBondContact O-N 3.14Å; R996-H998 PolarHBondContact O-N 2.76Å; R996-I999 PolarHBondContact O-N 3.07Å; R996-E1000 WeakPolarHBondContact O-CB 3.44Å; R996-E1000 WeakPolarHBondContact O-CG 3.42Å; R996-E1000 PolarHBondContact O-N 3.27Å
997	L	35.3	Very low	32.1	Very low	97 Å²	97	94.5 Å²	94.5	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-57.5	-33.5	174.8	-73	168.5	0	0	0	112.7	G993 E1000 S1001	G993-L997 WeakPolarHBondContact O-CB 3.22Å; G993-L997 VanDerWaalsContact O-CG 3.29Å; G993-L997 WeakPolarHBondContact O-CG 3.44Å; G993-L997 PolarHBondContact O-N 3.08Å; L997-E1000 WeakPolarHBondContact CA-OE2 3.25Å; L997-S1001 VanDerWaalsContact O-CB 3.29Å; L997-S1001 WeakPolarHBondContact O-CB 3.33Å; L997-S1001 PolarHBondContact O-N 2.63Å; L997-S1001 PolarHBondContact O-OG 2.81Å
998	H	30.7	Very low	32.2	Very low	116 Å²	116	98.3 Å²	98.3	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-70.3	-43.3	176.3	-158.6	59.6	0	0	0	111.8	T994 L995 R996 S1001 M1002	T994-H998 PolarHBondContact O-N 3.01Å; L995-H998 WeakPolarHBondContact O-CB 3.24Å; L995-H998 PolarHBondContact O-N 2.81Å; L995-H998 VanDerWaalsContact O-N 3.11Å; R996-H998 PolarHBondContact O-N 2.76Å; H998-S1001 PolarHBondContact O-N 3.29Å; H998-S1001 PolarHBondContact O-OG 2.75Å; H998-M1002 WeakPolarHBondContact O-CG 3.33Å; H998-M1002 PolarHBondContact O-N 2.82Å
999	I	37	Very low	32.3	Very low	59 Å²	59	102.7 Å²	102.7	30%	0.303	52%	0.519	S	S	.	.	H	α-helix	trans	-68.1	-39.8	177.7	-66.7	165.1	0	0	0	111.3	L995 R996 M1002 S1003	L995-I999 WeakPolarHBondContact O-CG1 3.41Å; L995-I999 PolarHBondContact O-N 3.25Å; R996-I999 PolarHBondContact O-N 3.07Å; I999-M1002 PolarHBondContact O-N 3Å; I999-S1003 PolarHBondContact O-N 2.78Å; I999-S1003 PolarHBondContact O-OG 3.49Å
1000	E	35.5	Very low	32.3	Very low	52 Å²	52	104.5 Å²	104.5	24%	0.243	52%	0.523	C	S	.	.	H	α-helix	trans	-60.6	-46.1	172.1	-71.6	173.2	140.7	0	0	110.9	R996 L997 M1002 S1003 I1004	R996-E1000 WeakPolarHBondContact O-CB 3.44Å; R996-E1000 WeakPolarHBondContact O-CG 3.42Å; R996-E1000 PolarHBondContact O-N 3.27Å; L997-E1000 WeakPolarHBondContact CA-OE2 3.25Å; E1000-M1002 PolarHBondContact O-N 3.04Å; E1000-M1002 VanDerWaalsContact O-N 3.15Å; E1000-S1003 PolarHBondContact O-N 3.29Å; E1000-I1004 PolarHBondContact O-N 2.95Å
1001	S	34.9	Very low	32.6	Very low	73 Å²	73	103.9 Å²	103.9	51%	0.51	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-23.2	177.9	79.9	0	0	0	0	114.2	L997 H998	L997-S1001 VanDerWaalsContact O-CB 3.29Å; L997-S1001 WeakPolarHBondContact O-CB 3.33Å; L997-S1001 PolarHBondContact O-N 2.63Å; L997-S1001 PolarHBondContact O-OG 2.81Å; H998-S1001 PolarHBondContact O-N 3.29Å; H998-S1001 PolarHBondContact O-OG 2.75Å
1002	M	32.8	Very low	32.2	Very low	135 Å²	135	107.4 Å²	107.4	67%	0.665	55%	0.547	S	S	*	.	H	α-helix	trans	-87	-18.3	175.9	-68.2	-169	117.8	0	0	113.5	H998 I999 E1000	H998-M1002 WeakPolarHBondContact O-CG 3.33Å; H998-M1002 PolarHBondContact O-N 2.82Å; I999-M1002 PolarHBondContact O-N 3Å; E1000-M1002 PolarHBondContact O-N 3.04Å; E1000-M1002 VanDerWaalsContact O-N 3.15Å
1003	S	35.6	Very low	32	Very low	79 Å²	79	114.4 Å²	114.4	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-90.1	-13.9	-178.4	-61.5	0	0	0	0	113.6	I999 E1000	I999-S1003 PolarHBondContact O-N 2.78Å; I999-S1003 PolarHBondContact O-OG 3.49Å; E1000-S1003 PolarHBondContact O-N 3.29Å
1004	I	29.1	Very low	31.8	Very low	98 Å²	98	120.6 Å²	120.6	50%	0.503	60%	0.604	S	S	.	*			trans	-109.2	90	179.6	-54.3	176.9	0	0	0	110.3	E1000 H1006	E1000-I1004 PolarHBondContact O-N 2.95Å; I1004-H1006 VanDerWaalsContact CG2-CD2 3.43Å; I1004-H1006 WeakPolarHBondContact CG2-CD2 3.26Å
1005	K	28.2	Very low	31.5	Very low	194 Å²	194	124.2 Å²	124.2	84%	0.843	62%	0.615	S	S	*	*			trans	-107.6	91.1	159.7	-77	-172.9	178.4	178.5	0	109.4
1006	H	28.8	Very low	31.4	Very low	159 Å²	159	126.6 Å²	126.6	74%	0.736	63%	0.633	S	S	*	*			trans	-63.6	128.1	166	-74.9	-78	0	0	0	109.9	I1004 R1008	I1004-H1006 VanDerWaalsContact CG2-CD2 3.43Å; I1004-H1006 WeakPolarHBondContact CG2-CD2 3.26Å; H1006-R1008 PolarHBondContact O-N 2.96Å
1007	P	30.6	Very low	31.1	Very low	89 Å²	89	133.5 Å²	133.5	58%	0.578	66%	0.664	S	S	*	*			trans	-74.4	115	168.3	29.8	-30.7	0	0	0	109	F1009	P1007-F1009 PolarHBondContact O-N 3.05Å
1008	R	29	Very low	31.1	Very low	237 Å²	237	135.1 Å²	135.1	89%	0.894	68%	0.68	S	S	*	*			trans	-74.8	117.4	163.7	-72.7	-176.2	178.1	170	-1.5	108	H1006	H1006-R1008 PolarHBondContact O-N 2.96Å
1009	F	30.1	Very low	31	Very low	174 Å²	174	132.6 Å²	132.6	76%	0.763	69%	0.686	S	S	*	*			trans	-88.3	111.6	165.1	-95.8	-92.1	0	0	0	108.5	P1007	P1007-F1009 PolarHBondContact O-N 3.05Å
1010	D	26.3	Very low	30.7	Very low	152 Å²	152	139.3 Å²	139.3	81%	0.813	71%	0.713	S	S	*	*			trans	-77.9	118.5	162.9	-72.5	-41.8	0	0	0	108.6
1011	H	32.8	Very low	30.3	Very low	155 Å²	155	140.7 Å²	140.7	72%	0.718	73%	0.728	S	S	*	*			trans	-122.6	100.1	161	-92	-59.9	0	0	0	109.2	F1013	H1011-F1013 PolarHBondContact O-N 3.46Å
1012	S	25	Very low	30.1	Very low	113 Å²	113	144.2 Å²	144.2	79%	0.79	74%	0.741	S	S	*	*			trans	-64.6	122.7	160.7	44.8	0	0	0	0	109.4
1013	F	31.6	Very low	29.8	Very low	203 Å²	203	143.6 Å²	143.6	89%	0.89	74%	0.74	S	S	*	*			trans	-128.6	137.9	155	-111.8	-84.2	0	0	0	109.4	H1011	H1011-F1013 PolarHBondContact O-N 3.46Å
1014	D	30.9	Very low	29.5	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	75%	0.754	S	S	*	*			trans	-86	171.8	-156.9	-145.4	-15.6	0	0	0	113.5
1015	E	27.6	Very low	29.6	Very low	158 Å²	158	148.5 Å²	148.5	74%	0.738	76%	0.76	S	S	*	*			trans	-59.7	171.6	-163.7	-65.5	-179.9	156.5	0	0	118.8
1016	T	32.2	Very low	29.5	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	75%	0.754	S	S	*	*			trans	104.4	133.3	149.3	75	0	0	0	0	118.2
1017	K	30.1	Very low	29.5	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	75%	0.753	S	S	*	*			cis	-157	167.2	-15.2	-115.5	-173	179.7	173	0	110.6
1018	P	35	Very low	29.2	Very low	130 Å²	130	149 Å²	149	84%	0.844	77%	0.765	S	S	*	*			trans	-118	-176.9	-160.4	44.9	-38.2	0	0	0	117
1019	G	28.9	Very low	29.3	Very low	63 Å²	63	145.2 Å²	145.2	65%	0.649	76%	0.762	S	S	*	*			trans	170.9	141.6	160.5	0	0	0	0	0	109.4
1020	F	30	Very low	29.2	Very low	201 Å²	201	144.4 Å²	144.4	88%	0.882	76%	0.761	S	S	*	*			cis	-143.1	128.5	15.7	-75.7	-100	0	0	0	107.4
1021	S	27	Very low	29.1	Very low	80 Å²	80	147.6 Å²	147.6	56%	0.559	76%	0.761	S	S	*	*				76.7	118.6	64.8	78.5	0	0	0	0	116.1
1022	N	31	Very low	28.9	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	77%	0.765	S	S	*	*			trans	149.7	86.8	148.4	-75.2	-11.5	0	0	0	109.5
1023	I	26.6	Very low	29	Very low	123 Å²	123	149.2 Å²	149.2	63%	0.631	77%	0.766	S	S	*	*				69.7	108.6	64.1	-51	163.9	0	0	0	113.1
1024	H	29.5	Very low	28.8	Very low	182 Å²	182	143 Å²	143	84%	0.843	76%	0.759	S	S	*	*				-171.3	148.2	108.7	-104.7	-73.1	0	0	0	113.8
1025	P	29.7	Very low	28.6	Very low	98 Å²	98	145.4 Å²	145.4	64%	0.636	77%	0.766	S	S	*	*			trans	-128.6	-162.5	-168.9	27.9	-2.2	0	0	0	114.1
1026	I	26.4	Very low	28.5	Very low	138 Å²	138	143.6 Å²	143.6	71%	0.708	77%	0.766	S	S	*	*			trans	118.5	140.8	145.1	-65.2	162.5	0	0	0	118.6
1027	N	29.5	Very low	28.4	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	77%	0.767	S	S	*	*			trans	76.2	102.6	174.5	-62.8	-19.3	0	0	0	116.8
1028	E	24.9	Very low	28.2	Very low	177 Å²	177	138 Å²	138	83%	0.827	75%	0.749	S	S	*	*				68.2	105.8	58.2	-63.4	-162.9	157	0	0	115.2
1029	L	30.6	Very low	27.8	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	75%	0.749	S	S	*	*			trans	-169.4	105.9	135.1	-106.9	146.9	0	0	0	112.5
1030	E	28.3	Very low	27.5	Very low	157 Å²	157	139.5 Å²	139.5	73%	0.734	74%	0.739	S	S	*	*			trans	47.1	109.5	145.1	-59.8	-170.6	138	0	0	123.6
1031	R	24.5	Very low	27.2	Very low	219 Å²	219	135.2 Å²	135.2	83%	0.826	73%	0.731	S	S	*	*				41.1	120.1	124.2	-60.5	178.6	-177	171.4	2.6	120.2
1032	N	28.7	Very low	27.2	Very low	149 Å²	149	136.4 Å²	136.4	80%	0.797	74%	0.735	S	S	*	*				-164.4	130.2	110.8	-92.2	-14.9	0	0	0	112.8
1033	D	26.8	Very low	27	Very low	152 Å²	152	133.7 Å²	133.7	81%	0.813	72%	0.72	S	S	*	*			trans	37.9	109.3	149.1	-53.8	-21.9	0	0	0	122.8
1034	G	26.2	Very low	27	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	73%	0.728	S	S	*	*				88.2	82.5	104.6	0	0	0	0	0	120.1
1035	Q	28.2	Very low	27.1	Very low	200 Å²	200	128.2 Å²	128.2	94%	0.935	71%	0.707	S	S	*	*			trans	-168.6	112.4	141.9	-108.9	162.5	43.3	0	0	111.8
1036	T	25.2	Very low	27.2	Very low	120 Å²	120	128.8 Å²	128.8	74%	0.736	70%	0.701	S	S	*	*			trans	-99.5	119.3	167.5	42.6	0	0	0	0	109.3
1037	P	29.4	Very low	27.6	Very low	115 Å²	115	126.6 Å²	126.6	75%	0.747	69%	0.688	S	S	*	*			trans	-82.2	123.4	-171.8	30.8	-33.7	0	0	0	112.4	I1039	P1037-I1039 PolarHBondContact O-N 2.85Å
1038	T	25.2	Very low	27.9	Very low	79 Å²	79	120.4 Å²	120.4	49%	0.485	65%	0.654	S	S	.	*			trans	-71.3	109.9	174.9	-34.7	0	0	0	0	110.2	Q76 S1040	Q76-T1038 HydrophobicContact CB-CG2 4.35Å; Q76-T1038 HydrophobicContact CG-CG2 3.44Å; Q76-T1038 VanDerWaalsContact CG-CG2 3.44Å; T1038-S1040 PolarHBondContact O-N 3.12Å
1039	I	26.3	Very low	28.3	Very low	164 Å²	164	115.4 Å²	115.4	84%	0.841	64%	0.636	S	S	*	*			trans	-73.8	92.5	-172.4	-54	175.6	0	0	0	110.8	P1037	P1037-I1039 PolarHBondContact O-N 2.85Å
1040	S	23.9	Very low	28.6	Very low	61 Å²	61	110.2 Å²	110.2	43%	0.427	61%	0.607	S	S	.	*			trans	-74.9	148.2	154.8	-56.7	0	0	0	0	108.7	T1038 T1042	T1038-S1040 PolarHBondContact O-N 3.12Å; S1040-T1042 VanDerWaalsContact CB-OG1 3.28Å; S1040-T1042 WeakPolarHBondContact CB-OG1 3.13Å; S1040-T1042 PolarHBondContact O-N 2.76Å
1041	P	23.9	Very low	28.8	Very low	112 Å²	112	105.7 Å²	105.7	73%	0.727	59%	0.587	S	S	*	*			trans	-74.4	40.6	161.3	35.5	-35.3	0	0	0	110.7	L1043	P1041-L1043 PolarHBondContact O-N 2.72Å; P1041-L1043 VanDerWaalsContact O-N 3.1Å
1042	T	25.7	Very low	29.1	Very low	105 Å²	105	100 Å²	100	64%	0.644	57%	0.574	S	S	*	*			trans	-73	100.3	161.7	-50.8	0	0	0	0	104.9	S1040 S1044	S1040-T1042 VanDerWaalsContact CB-OG1 3.28Å; S1040-T1042 WeakPolarHBondContact CB-OG1 3.13Å; S1040-T1042 PolarHBondContact O-N 2.76Å; T1042-S1044 PolarHBondContact O-N 3.29Å
1043	L	28	Very low	29.2	Very low	89 Å²	89	95.2 Å²	95.2	47%	0.466	55%	0.547	S	S	.	.			trans	-38.1	130.9	175.8	-73.7	160.7	0	0	0	110.5	F608 L730 P1041 L1045	F608-L1043 HydrophobicContact CD2-CD2 3.73Å; F608-L1043 HydrophobicContact CE2-CD1 4.35Å; F608-L1043 HydrophobicContact CE2-CD2 3.77Å; L730-L1043 HydrophobicContact CD2-CD1 4.18Å; P1041-L1043 PolarHBondContact O-N 2.72Å; P1041-L1043 VanDerWaalsContact O-N 3.1Å; L1043-L1045 HydrophobicContact CB-CG 4.13Å; L1043-L1045 WeakPolarHBondContact O-CA 3.25Å; L1043-L1045 WeakPolarHBondContact O-CB 3.38Å; L1043-L1045 PolarHBondContact O-N 3.06Å
1044	S	25.4	Very low	29.4	Very low	113 Å²	113	90.4 Å²	90.4	79%	0.79	52%	0.523	S	S	*	.			trans	-66.9	81.7	169.6	42.9	0	0	0	0	108.8	T1042 H1046	T1042-S1044 PolarHBondContact O-N 3.29Å; S1044-H1046 PolarHBondContact O-N 3.49Å
1045	L	31.8	Very low	29.5	Very low	77 Å²	77	90.6 Å²	90.6	40%	0.403	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	13.9	-149.8	-115.9	156.8	0	0	0	116.2	L702 L730 L1043	L702-L1045 HydrophobicContact CD2-CD2 3.8Å; L702-L1045 VanDerWaalsContact CD2-O 3.28Å; L702-L1045 WeakPolarHBondContact CD2-O 3.27Å; L730-L1045 HydrophobicContact CD1-CD2 4.35Å; L730-L1045 HydrophobicContact CD2-CD2 3.55Å; L1043-L1045 HydrophobicContact CB-CG 4.13Å; L1043-L1045 WeakPolarHBondContact O-CA 3.25Å; L1043-L1045 WeakPolarHBondContact O-CB 3.38Å; L1043-L1045 PolarHBondContact O-N 3.06Å
1046	H	32.8	Very low	29.5	Very low	110 Å²	110	85.6 Å²	85.6	51%	0.509	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-4	-164	-83.8	-102.4	0	0	0	115.4	S1044	S1044-H1046 PolarHBondContact O-N 3.49Å
1047	Q	35	Very low	29.6	Very low	92 Å²	92	86 Å²	86	43%	0.43	50%	0.498	S	S	.	.			trans	-118.5	103.7	-168.9	-143	102.2	-29.8	0	0	112.1	L699 V1049	L699-Q1047 HydrophobicContact CD1-CG 3.71Å; L699-Q1047 HydrophobicContact CG-CG 4.28Å; Q1047-V1049 HydrophobicContact CG-CG2 4.02Å
1048	L	35.1	Very low	29.5	Very low	6 Å²	6	88.5 Å²	88.5	3%	0.031	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-95	106.3	162.8	-65	169.1	0	0	0	108.4	I705 L727	I705-L1048 HydrophobicContact CD1-CD1 3.45Å; I705-L1048 VanDerWaalsContact CD1-CD1 3.45Å; L727-L1048 HydrophobicContact CD1-CD1 4.24Å; L727-L1048 HydrophobicContact CD2-CD1 3.89Å; L727-L1048 HydrophobicContact CD2-CD2 4.48Å; L727-L1048 HydrophobicContact CG-CD1 4.08Å; L727-L1048 HydrophobicContact CG-CD2 4.22Å
1049	V	33.5	Very low	29.5	Very low	72 Å²	72	91.7 Å²	91.7	44%	0.436	51%	0.507	S	S	.	.			trans	-89.1	145.4	176.5	-178.3	0	0	0	0	109.5	Q1047 D1051	Q1047-V1049 HydrophobicContact CG-CG2 4.02Å; V1049-D1051 PolarHBondContact O-N 2.7Å
1050	F	36	Very low	29.6	Very low	51 Å²	51	90 Å²	90	22%	0.224	50%	0.504	C	S	.	.			trans	-82.8	89	177	-76.1	-122.3	0	0	0	108.5	L697 G698 I700 D718 D1052	L697-F1050 HydrophobicContact CD2-CB 4.22Å; G698-F1050 WeakPolarHBondContact O-CE2 3.39Å; G698-F1050 WeakPolarHBondContact O-CZ 3.34Å; I700-F1050 HydrophobicContact CD1-CE2 4.33Å; I700-F1050 HydrophobicContact CD1-CZ 4.07Å; I700-F1050 HydrophobicContact CG1-CE2 4.22Å; I700-F1050 HydrophobicContact CG1-CZ 4.34Å; D718-F1050 WeakPolarHBondContact O-CE1 3.22Å; D718-F1050 WeakPolarHBondContact O-CZ 3.33Å; F1050-D1052 PolarHBondContact O-N 3.28Å
1051	D	32.4	Very low	29.6	Very low	61 Å²	61	94.1 Å²	94.1	33%	0.326	52%	0.521	S	S	.	.			trans	-76.6	109.8	167.9	-59.1	-22.4	0	0	0	107.4	R726 V1049 I1053	R726-D1051 IonicContact CZ-OD2 2.69Å; R726-D1051 IonicContact NH1-OD2 2.69Å; R726-D1051 IonicContact NH2-OD2 3.44Å; R726-D1051 PolarHBondContact NH2-OD2 3.3Å; V1049-D1051 PolarHBondContact O-N 2.7Å; D1051-I1053 PolarHBondContact O-N 3.34Å
1052	D	30.9	Very low	29.8	Very low	100 Å²	100	95.6 Å²	95.6	54%	0.535	52%	0.523	S	S	.	.			trans	-59.1	124.8	-172.9	-94.3	-32	0	0	0	112.7	F1050 T1054	F1050-D1052 PolarHBondContact O-N 3.28Å; D1052-T1054 PolarHBondContact O-N 3.5Å
1053	I	30.7	Very low	29.9	Very low	48 Å²	48	99.2 Å²	99.2	25%	0.246	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.1	169.4	-69.6	178.2	0	0	0	112	F631 P721 D1051	F631-I1053 HydrophobicContact CD1-CD1 4.23Å; F631-I1053 HydrophobicContact CE1-CD1 3.41Å; F631-I1053 VanDerWaalsContact CE1-CD1 3.41Å; F631-I1053 HydrophobicContact CZ-CD1 3.74Å; P721-I1053 VanDerWaalsContact CD-CG1 3.45Å; P721-I1053 HydrophobicContact CG-CD1 3.73Å; P721-I1053 HydrophobicContact CG-CG1 3.87Å; D1051-I1053 PolarHBondContact O-N 3.34Å
1054	T	31.4	Very low	30	Very low	51 Å²	51	104.6 Å²	104.6	31%	0.313	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130	14.7	-156.6	54.5	0	0	0	0	117.4	D1052	D1052-T1054 PolarHBondContact O-N 3.5Å
1055	S	28.2	Very low	30	Very low	77 Å²	77	108.6 Å²	108.6	54%	0.538	56%	0.559	S	S	.	*	S	Bend	trans	-151.2	5.1	-177.7	-154.8	0	0	0	0	120.7
1056	S	28.2	Very low	30	Very low	94 Å²	94	113.2 Å²	113.2	66%	0.657	58%	0.578	S	S	*	*	S	Bend	trans	-88	-33.5	178.6	59.9	0	0	0	0	115
1057	D	28	Very low	29.7	Very low	129 Å²	129	115.3 Å²	115.3	69%	0.69	59%	0.592	S	S	*	*	S	Bend	trans	-108.2	5.4	-166	-51.6	-15	0	0	0	113.7
1058	F	27.4	Very low	29.5	Very low	168 Å²	168	116.4 Å²	116.4	74%	0.737	61%	0.61	S	S	*	*			trans	-110.1	58	178.6	-75.8	-76.5	0	0	0	112.5
1059	H	26	Very low	29.1	Very low	146 Å²	146	120.3 Å²	120.3	68%	0.676	64%	0.643	S	S	*	*			trans	-119	85.1	162.5	-94.6	-68.2	0	0	0	111	N1061	H1059-N1061 PolarHBondContact O-N 3.4Å; H1059-N1061 VanDerWaalsContact O-N 3.11Å
1060	T	26.5	Very low	29	Very low	127 Å²	127	124 Å²	124	78%	0.779	66%	0.661	S	S	*	*			trans	-64.5	101.9	152.1	47.1	0	0	0	0	107.6	D1062	T1060-D1062 VanDerWaalsContact C-N 3.29Å; T1060-D1062 PolarHBondContact O-N 3.1Å
1061	N	24.8	Very low	28.7	Very low	148 Å²	148	129 Å²	129	79%	0.791	69%	0.689	S	S	*	*			trans	-76.4	80.4	176.8	-77.4	-29.6	0	0	0	110.5	H1059	H1059-N1061 PolarHBondContact O-N 3.4Å; H1059-N1061 VanDerWaalsContact O-N 3.11Å
1062	D	27.2	Very low	28.5	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	72%	0.715	S	S	*	*			trans	-88.5	143.4	162.9	-90.3	-46.9	0	0	0	111.1	T1060	T1060-D1062 VanDerWaalsContact C-N 3.29Å; T1060-D1062 PolarHBondContact O-N 3.1Å
1063	E	27.9	Very low	28.2	Very low	181 Å²	181	133.9 Å²	133.9	85%	0.846	72%	0.72	S	S	*	*			trans	68.2	83.4	170.4	-53	-160.1	126.6	0	0	119.2
1064	Q	30.4	Very low	28.2	Very low	201 Å²	201	138.6 Å²	138.6	94%	0.939	75%	0.746	S	S	*	*				-156.4	113.4	118.5	-111.3	166	44.4	0	0	113.3
1065	K	26.6	Very low	28.1	Very low	197 Å²	197	142.3 Å²	142.3	86%	0.857	77%	0.768	S	S	*	*			trans	-70.2	141.8	172.2	-74.8	171.2	172.2	168.6	0	111.2
1066	H	30.3	Very low	28.1	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.806	78%	0.78	S	S	*	*			trans	170.8	99.1	131.6	-91.5	-69.4	0	0	0	108.2
1067	L	28.2	Very low	27.9	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	77%	0.766	S	S	*	*				78.4	79.4	86.7	-86.9	168.2	0	0	0	116.5
1068	S	29.3	Very low	27.8	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	77%	0.769	S	S	*	*			trans	171.8	101.9	144.3	52.7	0	0	0	0	108
1069	A	27.8	Very low	27.9	Very low	89 Å²	89	141.4 Å²	141.4	74%	0.736	77%	0.772	S	S	*	*			cis	70.3	81.8	49.3	0	0	0	0	0	114.3
1070	D	31.1	Very low	27.9	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	77%	0.77	S	S	*	*			trans	-166.1	95.9	146.4	-92.1	-28.9	0	0	0	107
1071	L	29.3	Very low	27.9	Very low	155 Å²	155	135.5 Å²	135.5	81%	0.812	76%	0.762	S	S	*	*				70.1	97.9	93.9	-72.4	174.5	0	0	0	115.1
1072	I	29.6	Very low	27.9	Very low	169 Å²	169	134.8 Å²	134.8	87%	0.867	76%	0.756	S	S	*	*				-172.4	123.9	107.1	-88.9	152.2	0	0	0	108.6
1073	S	24.4	Very low	27.8	Very low	94 Å²	94	133.9 Å²	133.9	66%	0.657	76%	0.761	S	S	*	*			trans	-85.2	163.8	172.5	56	0	0	0	0	111.6
1074	N	29.1	Very low	27.9	Very low	147 Å²	147	130 Å²	130	79%	0.786	75%	0.754	S	S	*	*			trans	152.3	145.9	140.6	-75.9	-13.1	0	0	0	109.9
1075	V	29.9	Very low	28	Very low	129 Å²	129	126.7 Å²	126.7	78%	0.782	74%	0.742	S	S	*	*			cis	-153.1	141.1	-24.5	147.6	0	0	0	0	103.7
1076	A	28.2	Very low	28.2	Very low	95 Å²	95	120.5 Å²	120.5	79%	0.785	72%	0.722	S	S	*	*			trans	-86.2	135.7	178.7	0	0	0	0	0	112
1077	D	24.5	Very low	28.3	Very low	67 Å²	67	119 Å²	119	36%	0.358	73%	0.726	S	S	.	*			trans	-106.9	114.7	175.3	-165	9.3	0	0	0	110.9	Q276 Q1079	Q276-D1077 PolarHBondContact NE2-O 3.2Å; D1077-Q1079 PolarHBondContact O-N 3.03Å
1078	P	26.5	Very low	28.8	Very low	117 Å²	117	115.6 Å²	115.6	76%	0.76	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	73.4	-165.3	35.2	-37.3	0	0	0	113.6
1079	Q	28.1	Very low	29.5	Very low	171 Å²	171	113.6 Å²	113.6	80%	0.799	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	3	163.5	-68.1	-160.6	18.1	0	0	115.3	D1077 G1081	D1077-Q1079 PolarHBondContact O-N 3.03Å; Q1079-G1081 PolarHBondContact O-N 3.19Å
1080	S	26.8	Very low	30.7	Very low	91 Å²	91	114.1 Å²	114.1	64%	0.636	68%	0.682	S	S	*	*			trans	-94.9	59	174.6	64.2	0	0	0	0	113.3
1081	G	26.1	Very low	32	Very low	58 Å²	58	110.6 Å²	110.6	60%	0.598	67%	0.666	S	S	*	*			trans	-99.9	161.5	161.6	0	0	0	0	0	110.5	Q1079	Q1079-G1081 PolarHBondContact O-N 3.19Å
1082	I	24.7	Very low	33.8	Very low	132 Å²	132	106 Å²	106	68%	0.677	64%	0.641	S	S	*	*	S	Bend	trans	75.2	54.1	172.5	-35.9	157.3	0	0	0	114.9	W1240	I1082-W1240 HydrophobicContact CG2-CH2 3.67Å; I1082-W1240 HydrophobicContact CG2-CZ2 3.41Å; I1082-W1240 VanDerWaalsContact CG2-CZ2 3.41Å; I1082-W1240 HydrophobicContact CG2-CZ3 4.44Å
1083	S	25.2	Very low	35.5	Very low	125 Å²	125	100.7 Å²	100.7	87%	0.874	61%	0.614	S	S	*	*			trans	-161.4	58.7	153.7	-167.4	0	0	0	0	112.8
1084	S	29.4	Very low	37.7	Very low	99 Å²	99	97 Å²	97	69%	0.692	59%	0.59	S	S	*	*			trans	-148.9	108.1	170	56.7	0	0	0	0	110.6
1085	L	32.7	Very low	40	Very low	133 Å²	133	94.4 Å²	94.4	70%	0.696	57%	0.573	S	S	*	*			trans	-54.7	133.4	151	-124.2	76.7	0	0	0	106.5	T1087	L1085-T1087 PolarHBondContact O-N 2.86Å
1086	P	31.3	Very low	42.3	Very low	67 Å²	67	92.6 Å²	92.6	44%	0.435	55%	0.554	S	S	.	*			trans	-60.1	115.9	-176.5	23	-32.8	0	0	0	109.8	S1088	P1086-S1088 PolarHBondContact O-N 2.84Å
1087	T	33.2	Very low	44.9	Very low	143 Å²	143	91.3 Å²	91.3	88%	0.877	54%	0.539	S	S	*	.	S	Bend	trans	-72	-5.9	-177.5	-20.1	0	0	0	0	112.4	L1085	L1085-T1087 PolarHBondContact O-N 2.86Å
1088	S	37.3	Very low	47.5	Very low	81 Å²	81	89 Å²	89	57%	0.566	53%	0.531	S	S	*	.	S	Bend	trans	-116.5	126.2	172.8	51.5	0	0	0	0	110.9	P1086 R1090	P1086-S1088 PolarHBondContact O-N 2.84Å; S1088-R1090 PolarHBondContact O-N 2.81Å
1089	P	45.5	Very low	50.2	Low	73 Å²	73	89.2 Å²	89.2	47%	0.474	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-71.1	116.4	176.5	-26.7	39.2	0	0	0	113.5	Y795	Y795-P1089 HydrophobicContact CE1-CG 3.73Å; Y795-P1089 VanDerWaalsContact OH-CD 3.27Å; Y795-P1089 WeakPolarHBondContact OH-CD 3.44Å; Y795-P1089 WeakPolarHBondContact OH-CG 3.42Å
1090	R	53	Low	52.9	Low	100 Å²	100	81.9 Å²	81.9	38%	0.377	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-65.3	139.8	168.7	-64.2	-179.9	179.6	155.4	0.7	110.4	S1088 Y1137 D1284	S1088-R1090 PolarHBondContact O-N 2.81Å; R1090-Y1137 HydrophobicContact CB-CD1 3.99Å; R1090-D1284 IonicContact NH1-OD1 3.92Å; R1090-D1284 PolarHBondContact NH1-OD1 3.18Å; R1090-D1284 IonicContact NH2-OD1 3.6Å
1091	T	58.3	Low	55.7	Low	76 Å²	76	78.1 Å²	78.1	47%	0.466	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-59.6	139.9	176	-38.5	0	0	0	0	110.8	Y1137 E1138	T1091-Y1137 CarbonylContact O-C 3.45Å; T1091-Y1137 WeakPolarHBondContact O-CA 3.41Å; T1091-E1138 WeakPolarHBondContact CB-OE2 3.39Å; T1091-E1138 PolarHBondContact O-N 3.28Å; T1091-E1138 PolarHBondContact OG1-OE2 2.87Å
1092	I	65.8	Low	58.7	Low	58 Å²	58	76.6 Å²	76.6	30%	0.297	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.3	172.7	-60.6	163.4	0	0	0	108.1	A1094 E1095 R1135 V1136 Y1137	I1092-A1094 WeakPolarHBondContact CG2-O 3.34Å; I1092-E1095 HydrophobicContact CG2-CB 4.29Å; I1092-R1135 HydrophobicContact CG2-CB 4.43Å; I1092-R1135 HydrophobicContact CG2-CG 4.29Å; I1092-V1136 CarbonylContact C-O 3.51Å; I1092-V1136 WeakPolarHBondContact CA-O 3.38Å; I1092-Y1137 HydrophobicContact CG1-CD1 4.04Å; I1092-Y1137 HydrophobicContact CG1-CE1 3.65Å
1093	L	66.6	Low	61.8	Low	58 Å²	58	80.3 Å²	80.3	30%	0.304	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-39.1	175.4	-69.5	178.9	0	0	0	112.2	V1136 Y1137 E1138 L1161	L1093-V1136 HydrophobicContact CB-CG1 4.29Å; L1093-V1136 PolarHBondContact N-O 2.85Å; L1093-Y1137 WeakPolarHBondContact CD1-O 3.04Å; L1093-E1138 HydrophobicContact CD1-CB 4.34Å; L1093-E1138 HydrophobicContact CD2-CB 3.92Å; L1093-E1138 HydrophobicContact CD2-CG 4.19Å; L1093-E1138 HydrophobicContact CG-CB 3.9Å; L1093-L1161 HydrophobicContact CD1-CD2 3.57Å; L1093-L1161 HydrophobicContact CD1-CG 4.29Å
1094	A	70.5	Confident	64.7	Low	18 Å²	18	75 Å²	75	15%	0.149	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.3	175.5	0	0	0	0	0	112.1	I1092 I1109 H1112 R1135 V1136	I1092-A1094 WeakPolarHBondContact CG2-O 3.34Å; A1094-I1109 HydrophobicContact CB-CD1 4.29Å; A1094-I1109 HydrophobicContact CB-CG2 3.87Å; A1094-H1112 WeakPolarHBondContact CB-CD2 3.2Å; A1094-H1112 WeakPolarHBondContact CB-NE2 3.35Å; A1094-R1135 CarbonylContact O-C 3.57Å; A1094-R1135 WeakPolarHBondContact O-CA 3.18Å; A1094-V1136 HydrophobicContact CB-CB 4.27Å; A1094-V1136 PolarHBondContact N-O 2.93Å; A1094-V1136 PolarHBondContact O-N 2.88Å
1095	E	76.6	Confident	67.6	Low	91 Å²	91	71.6 Å²	71.6	43%	0.425	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141	172.4	-179.8	174.8	-135.1	0	0	109.2	I1092 I1134 R1135	I1092-E1095 HydrophobicContact CG2-CB 4.29Å; E1095-I1134 VanDerWaalsContact CA-O 3.3Å; E1095-I1134 WeakPolarHBondContact CA-O 3.22Å; E1095-R1135 HydrophobicContact CB-CG 4.12Å; E1095-R1135 HydrophobicContact CG-CG 3.88Å; E1095-R1135 IonicContact OE1-CZ 2.87Å; E1095-R1135 IonicContact OE1-NE 3.68Å; E1095-R1135 PolarHBondContact OE1-NE 2.86Å; E1095-R1135 IonicContact OE1-NH2 3.46Å; E1095-R1135 PolarHBondContact OE1-NH2 3.07Å
1096	K	79.3	Confident	70.2	Confident	91 Å²	91	70 Å²	70	40%	0.396	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.9	166.8	-166.7	179.1	-180	165.3	0	109.8	L1107 E1108 I1109 F1133 I1134	K1096-L1107 HydrophobicContact CB-CD1 4.22Å; K1096-L1107 HydrophobicContact CD-CD1 3.96Å; K1096-L1107 HydrophobicContact CG-CD1 3.74Å; K1096-E1108 WeakPolarHBondContact CD-O 3.36Å; K1096-E1108 WeakPolarHBondContact CE-O 3.21Å; K1096-E1108 PolarHBondContact NZ-O 3.4Å; K1096-I1109 HydrophobicContact CB-CD1 4.11Å; K1096-I1109 HydrophobicContact CB-CG1 3.74Å; K1096-I1109 HydrophobicContact CD-CG1 4.39Å; K1096-F1133 CarbonylContact O-C 3.46Å; K1096-F1133 WeakPolarHBondContact O-CA 3.31Å; K1096-F1133 WeakPolarHBondContact O-CB 3.5Å; K1096-I1134 PolarHBondContact N-O 2.86Å; K1096-I1134 PolarHBondContact O-N 2.79Å
1097	C	81.6	Confident	72.8	Confident	68 Å²	68	67 Å²	67	46%	0.459	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157.8	172.6	82.5	0	0	0	0	111.9	I1132 F1133	C1097-I1132 CarbonylContact C-O 3.51Å; C1097-I1132 WeakPolarHBondContact CA-O 3.11Å; C1097-I1132 WeakPolarHBondContact CB-O 3.39Å; C1097-F1133 HydrophobicContact CB-CB 3.73Å
1098	G	78.9	Confident	75.3	Confident	19 Å²	19	64.4 Å²	64.4	20%	0.196	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.6	172.1	0	0	0	0	0	110.3	F1100 I1132	G1098-F1100 VanDerWaalsContact C-CE2 3.41Å; G1098-F1100 WeakPolarHBondContact O-CD2 3.38Å; G1098-F1100 WeakPolarHBondContact O-CE2 3.01Å; G1098-I1132 PolarHBondContact N-O 3.03Å; G1098-I1132 PolarHBondContact O-N 3.46Å
1099	E	83.6	Confident	77.4	Confident	122 Å²	122	60.8 Å²	60.8	57%	0.57	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.2	176.1	-72.3	168.6	-170.2	0	0	108.9	Q1130 K1131	E1099-Q1130 WeakPolarHBondContact CA-O 3.36Å; E1099-K1131 HydrophobicContact CG-CB 4.39Å; E1099-K1131 HydrophobicContact CG-CG 4.43Å
1100	F	85.2	Confident	79	Confident	17 Å²	17	60.5 Å²	60.5	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.6	-173.1	-55.9	-85	0	0	0	108.7	G1098 L1107 I1118 I1123 Q1130 I1132	G1098-F1100 VanDerWaalsContact C-CE2 3.41Å; G1098-F1100 WeakPolarHBondContact O-CD2 3.38Å; G1098-F1100 WeakPolarHBondContact O-CE2 3.01Å; F1100-L1107 HydrophobicContact CE2-CB 4.21Å; F1100-L1107 HydrophobicContact CE2-CD1 4.5Å; F1100-L1107 HydrophobicContact CE2-CD2 4.28Å; F1100-L1107 HydrophobicContact CZ-CB 3.82Å; F1100-L1107 HydrophobicContact CZ-CD1 4.32Å; F1100-L1107 HydrophobicContact CZ-CG 4.49Å; F1100-I1118 HydrophobicContact CB-CD1 4.21Å; F1100-I1118 HydrophobicContact CD1-CD1 3.85Å; F1100-I1118 HydrophobicContact CD2-CD1 3.64Å; F1100-I1118 HydrophobicContact CE1-CD1 4.12Å; F1100-I1118 HydrophobicContact CE2-CD1 3.89Å; F1100-I1118 HydrophobicContact CG-CD1 3.6Å; F1100-I1118 HydrophobicContact CZ-CD1 4.13Å; F1100-I1123 HydrophobicContact CB-CD1 3.86Å; F1100-I1123 WeakPolarHBondContact O-CD1 3.17Å; F1100-Q1130 PolarHBondContact N-O 3.41Å; F1100-Q1130 WeakPolarHBondContact O-CA 3.11Å; F1100-Q1130 WeakPolarHBondContact O-CB 3.34Å; F1100-Q1130 PolarHBondContact O-N 2.95Å; F1100-I1132 HydrophobicContact CB-CD1 4.07Å; F1100-I1132 HydrophobicContact CD2-CB 3.74Å; F1100-I1132 HydrophobicContact CD2-CD1 3.71Å; F1100-I1132 HydrophobicContact CD2-CG1 3.81Å; F1100-I1132 HydrophobicContact CE2-CB 3.95Å; F1100-I1132 HydrophobicContact CG-CD1 4.21Å
1101	G	85.4	Confident	79.9	Confident	11 Å²	11	62.9 Å²	62.9	11%	0.113	33%	0.331	C	S	.	.			trans	-112.5	-153.9	170	0	0	0	0	0	110.6	R1103 G1104 G1128	G1101-R1103 PolarHBondContact O-N 2.97Å; G1101-G1104 PolarHBondContact O-N 2.79Å; G1101-G1128 WeakPolarHBondContact CA-O 3.44Å
1102	S	89.6	Confident	80.4	Confident	26 Å²	26	61 Å²	61	18%	0.182	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.7	176.5	64.7	0	0	0	0	114.3	G1104 E1120 G1121 I1123 E1125	S1102-G1104 PolarHBondContact O-N 3.45Å; S1102-G1104 VanDerWaalsContact O-N 3.1Å; S1102-E1120 CarbonylContact O-C 3.41Å; S1102-E1120 WeakPolarHBondContact O-CA 3.4Å; S1102-G1121 PolarHBondContact O-N 3.5Å; S1102-I1123 WeakPolarHBondContact CA-O 3.29Å; S1102-E1125 VanDerWaalsContact CB-CG 3.4Å; S1102-E1125 WeakPolarHBondContact OG-CG 3.4Å; S1102-E1125 PolarHBondContact OG-OE1 3.18Å
1103	R	89.1	Confident	80.7	Confident	211 Å²	211	64.2 Å²	64.2	80%	0.796	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.5	176.5	-61.7	-177.7	65.6	-155.9	-2	114.9	G1101	G1101-R1103 PolarHBondContact O-N 2.97Å
1104	G	86.2	Confident	81.1	Confident	13 Å²	13	61.7 Å²	61.7	13%	0.134	32%	0.316	C	S	.	.			trans	61.9	-158.4	-176.4	0	0	0	0	0	113.2	G1101 S1102 I1118	G1101-G1104 PolarHBondContact O-N 2.79Å; S1102-G1104 PolarHBondContact O-N 3.45Å; S1102-G1104 VanDerWaalsContact O-N 3.1Å; G1104-I1118 CarbonylContact C-O 3.6Å; G1104-I1118 WeakPolarHBondContact CA-O 3.45Å
1105	G	89.4	Confident	81.6	Confident	27 Å²	27	62.1 Å²	62.1	28%	0.278	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-170.6	175.9	0	0	0	0	0	113.9	I1118	G1105-I1118 PolarHBondContact N-O 3.37Å; G1105-I1118 PolarHBondContact O-N 2.7Å
1106	I	88.9	Confident	81.9	Confident	101 Å²	101	57.8 Å²	57.8	52%	0.518	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.5	-177.3	-62.9	172.5	0	0	0	109.9	E1108 C1115 L1116 R1117	I1106-E1108 HydrophobicContact CG2-CB 4.29Å; I1106-C1115 VanDerWaalsContact CG2-SG 3.57Å; I1106-L1116 WeakPolarHBondContact CA-O 3.14Å; I1106-R1117 HydrophobicContact CG1-CB 4.23Å; I1106-R1117 HydrophobicContact CG1-CG 4.04Å
1107	L	84.3	Confident	82.2	Confident	4 Å²	4	59 Å²	59	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	105.4	174.7	-171.6	61.6	0	0	0	108.4	K1096 F1100 L1116 I1132 I1134	K1096-L1107 HydrophobicContact CB-CD1 4.22Å; K1096-L1107 HydrophobicContact CD-CD1 3.96Å; K1096-L1107 HydrophobicContact CG-CD1 3.74Å; F1100-L1107 HydrophobicContact CE2-CB 4.21Å; F1100-L1107 HydrophobicContact CE2-CD1 4.5Å; F1100-L1107 HydrophobicContact CE2-CD2 4.28Å; F1100-L1107 HydrophobicContact CZ-CB 3.82Å; F1100-L1107 HydrophobicContact CZ-CD1 4.32Å; F1100-L1107 HydrophobicContact CZ-CG 4.49Å; L1107-L1116 HydrophobicContact CB-CB 4.3Å; L1107-L1116 PolarHBondContact N-O 3.28Å; L1107-L1116 PolarHBondContact O-N 2.86Å; L1107-I1132 HydrophobicContact CD2-CG2 4.15Å; L1107-I1134 HydrophobicContact CB-CD1 4.07Å; L1107-I1134 HydrophobicContact CD2-CD1 4.05Å; L1107-I1134 HydrophobicContact CD2-CG1 3.78Å; L1107-I1134 HydrophobicContact CG-CD1 3.79Å; L1107-I1134 HydrophobicContact CG-CG1 4.08Å; L1107-I1134 WeakPolarHBondContact O-CD1 3.34Å
1108	E	86.2	Confident	82.4	Confident	88 Å²	88	56 Å²	56	41%	0.411	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.1	-172	-178.2	-176.9	-161.3	0	0	111.3	K1096 I1106 P1110 V1114 C1115	K1096-E1108 WeakPolarHBondContact CD-O 3.36Å; K1096-E1108 WeakPolarHBondContact CE-O 3.21Å; K1096-E1108 PolarHBondContact NZ-O 3.4Å; I1106-E1108 HydrophobicContact CG2-CB 4.29Å; E1108-P1110 HydrophobicContact CG-CG 4.13Å; E1108-P1110 WeakPolarHBondContact O-CD 2.97Å; E1108-V1114 CarbonylContact C-O 3.58Å; E1108-V1114 WeakPolarHBondContact CA-O 3.42Å; E1108-C1115 HydrophobicContact CB-CB 4.37Å; E1108-C1115 HydrophobicContact CG-CB 4.12Å
1109	I	81.1	Confident	82.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	89.9	169.3	-57.3	178.8	0	0	0	107.1	A1094 K1096 E1111 H1112 K1113 V1114 I1134 V1136	A1094-I1109 HydrophobicContact CB-CD1 4.29Å; A1094-I1109 HydrophobicContact CB-CG2 3.87Å; K1096-I1109 HydrophobicContact CB-CD1 4.11Å; K1096-I1109 HydrophobicContact CB-CG1 3.74Å; K1096-I1109 HydrophobicContact CD-CG1 4.39Å; I1109-E1111 WeakPolarHBondContact CG2-OE2 3.28Å; I1109-E1111 PolarHBondContact O-N 3.28Å; I1109-H1112 HydrophobicContact CG2-CB 4Å; I1109-H1112 PolarHBondContact O-N 3.39Å; I1109-H1112 VanDerWaalsContact O-N 3.17Å; I1109-K1113 PolarHBondContact O-N 3.29Å; I1109-K1113 VanDerWaalsContact O-N 3.1Å; I1109-V1114 PolarHBondContact N-O 2.88Å; I1109-V1114 PolarHBondContact O-N 2.84Å; I1109-I1134 HydrophobicContact CD1-CB 3.94Å; I1109-I1134 HydrophobicContact CD1-CG2 3.66Å; I1109-V1136 HydrophobicContact CD1-CG2 3.91Å
1110	P	79.1	Confident	83.1	Confident	68 Å²	68	57.5 Å²	57.5	44%	0.442	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-63	-31.7	-171.4	-22.8	34.9	0	0	0	113	E1108 H1112 K1113	E1108-P1110 HydrophobicContact CG-CG 4.13Å; E1108-P1110 WeakPolarHBondContact O-CD 2.97Å; P1110-H1112 PolarHBondContact O-N 3Å; P1110-K1113 PolarHBondContact O-N 3.18Å
1111	E	72.1	Confident	83.1	Confident	150 Å²	150	57.9 Å²	57.9	70%	0.701	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.2	-31.8	179.9	-56.5	76.2	-165.2	0	0	111.8	I1109	I1109-E1111 WeakPolarHBondContact CG2-OE2 3.28Å; I1109-E1111 PolarHBondContact O-N 3.28Å
1112	H	68.4	Low	83	Confident	35 Å²	35	57.3 Å²	57.3	16%	0.162	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-108.3	3.2	-178.9	-67.1	-85.9	0	0	0	113.3	A1094 I1109 P1110 V1114 V1136 L1161 P1184	A1094-H1112 WeakPolarHBondContact CB-CD2 3.2Å; A1094-H1112 WeakPolarHBondContact CB-NE2 3.35Å; I1109-H1112 HydrophobicContact CG2-CB 4Å; I1109-H1112 PolarHBondContact O-N 3.39Å; I1109-H1112 VanDerWaalsContact O-N 3.17Å; P1110-H1112 PolarHBondContact O-N 3Å; H1112-V1114 HydrophobicContact CB-CG2 4.16Å; H1112-V1114 PolarHBondContact O-N 2.65Å; H1112-V1136 HydrophobicContact CB-CG1 4.45Å; H1112-V1136 HydrophobicContact CB-CG2 4.37Å; H1112-L1161 WeakPolarHBondContact ND1-CD1 3.23Å; H1112-L1161 WeakPolarHBondContact ND1-CD2 3.41Å; H1112-P1184 WeakPolarHBondContact O-CD 3.39Å; H1112-P1184 WeakPolarHBondContact O-CG 3.49Å
1113	K	72.8	Confident	82.6	Confident	127 Å²	127	56.2 Å²	56.2	55%	0.552	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	30.7	-174.1	-57.9	-177.9	177.5	-177.8	0	113.9	I1109 P1110 P1184	I1109-K1113 PolarHBondContact O-N 3.29Å; I1109-K1113 VanDerWaalsContact O-N 3.1Å; P1110-K1113 PolarHBondContact O-N 3.18Å; K1113-P1184 HydrophobicContact CB-CB 4.12Å; K1113-P1184 HydrophobicContact CB-CG 4.35Å; K1113-P1184 HydrophobicContact CD-CB 4.3Å
1114	V	75.1	Confident	82.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.9	176.6	179.4	0	0	0	0	109.4	E1108 I1109 H1112 I1134 V1136 P1164 L1181 T1182	E1108-V1114 CarbonylContact C-O 3.58Å; E1108-V1114 WeakPolarHBondContact CA-O 3.42Å; I1109-V1114 PolarHBondContact N-O 2.88Å; I1109-V1114 PolarHBondContact O-N 2.84Å; H1112-V1114 HydrophobicContact CB-CG2 4.16Å; H1112-V1114 PolarHBondContact O-N 2.65Å; V1114-I1134 HydrophobicContact CG1-CD1 4.36Å; V1114-I1134 HydrophobicContact CG1-CG2 3.84Å; V1114-V1136 HydrophobicContact CG2-CG2 4.1Å; V1114-P1164 HydrophobicContact CG1-CB 3.68Å; V1114-P1164 HydrophobicContact CG1-CG 3.89Å; V1114-P1164 HydrophobicContact CG2-CB 4.44Å; V1114-P1164 HydrophobicContact CG2-CG 4.46Å; V1114-L1181 HydrophobicContact CG1-CD1 4.13Å; V1114-T1182 WeakPolarHBondContact CA-O 3.26Å
1115	C	81.5	Confident	81.8	Confident	26 Å²	26	54.5 Å²	54.5	18%	0.176	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.2	179.3	-177.8	0	0	0	0	111.4	I1106 E1108 L1181 T1182	I1106-C1115 VanDerWaalsContact CG2-SG 3.57Å; E1108-C1115 HydrophobicContact CB-CB 4.37Å; E1108-C1115 HydrophobicContact CG-CB 4.12Å; C1115-L1181 CarbonylContact O-C 3.53Å; C1115-L1181 WeakPolarHBondContact O-CA 3.24Å; C1115-T1182 PolarHBondContact N-O 3.36Å; C1115-T1182 PolarHBondContact O-N 2.92Å
1116	L	82.7	Confident	81.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.1	169.1	-174.1	77	0	0	0	109.2	I1106 L1107 I1118 I1132 I1134 V1166 V1179 E1180 L1181	I1106-L1116 WeakPolarHBondContact CA-O 3.14Å; L1107-L1116 HydrophobicContact CB-CB 4.3Å; L1107-L1116 PolarHBondContact N-O 3.28Å; L1107-L1116 PolarHBondContact O-N 2.86Å; L1116-I1118 HydrophobicContact CD2-CD1 4.17Å; L1116-I1118 HydrophobicContact CD2-CG1 4.24Å; L1116-I1118 HydrophobicContact CG-CG1 4.4Å; L1116-I1132 HydrophobicContact CD2-CG2 3.8Å; L1116-I1134 HydrophobicContact CB-CD1 3.59Å; L1116-I1134 HydrophobicContact CB-CG1 4.19Å; L1116-I1134 HydrophobicContact CD2-CG1 4.5Å; L1116-V1166 HydrophobicContact CD1-CG1 4.08Å; L1116-V1166 HydrophobicContact CD1-CG2 4Å; L1116-V1166 HydrophobicContact CD2-CG1 3.59Å; L1116-V1166 HydrophobicContact CD2-CG2 4.48Å; L1116-V1166 HydrophobicContact CG-CG1 4.48Å; L1116-V1179 HydrophobicContact CD1-CG1 3.45Å; L1116-V1179 VanDerWaalsContact CD1-CG1 3.45Å; L1116-V1179 HydrophobicContact CD2-CG1 4.46Å; L1116-V1179 HydrophobicContact CG-CG1 3.82Å; L1116-E1180 CarbonylContact C-O 3.09Å; L1116-E1180 WeakPolarHBondContact CA-O 3.43Å; L1116-L1181 HydrophobicContact CD1-CB 4.19Å; L1116-L1181 HydrophobicContact CD1-CD1 4.2Å
1117	R	84.6	Confident	80.3	Confident	118 Å²	118	59.8 Å²	59.8	45%	0.445	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	111.2	178.7	173.9	167.6	-178.9	-97	-1.3	109.5	I1106 V1179 E1180	I1106-R1117 HydrophobicContact CG1-CB 4.23Å; I1106-R1117 HydrophobicContact CG1-CG 4.04Å; R1117-V1179 WeakPolarHBondContact O-CG1 3.4Å; R1117-E1180 HydrophobicContact CB-CB 4.22Å; R1117-E1180 WeakPolarHBondContact CD-OE2 3.33Å; R1117-E1180 IonicContact CZ-OE2 3.54Å; R1117-E1180 PolarHBondContact N-O 3.08Å; R1117-E1180 IonicContact NE-OE2 2.97Å; R1117-E1180 IonicContact NH1-OE1 2.93Å; R1117-E1180 PolarHBondContact NH1-OE1 3.44Å; R1117-E1180 IonicContact NH1-OE2 3.23Å; R1117-E1180 PolarHBondContact NH1-OE2 3.44Å; R1117-E1180 PolarHBondContact O-N 2.73Å
1118	I	86.5	Confident	80.1	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111.3	179.5	-58.7	140.7	0	0	0	106.5	F1100 G1104 G1105 L1116 A1122 I1123 I1132 F1175 V1179	F1100-I1118 HydrophobicContact CB-CD1 4.21Å; F1100-I1118 HydrophobicContact CD1-CD1 3.85Å; F1100-I1118 HydrophobicContact CD2-CD1 3.64Å; F1100-I1118 HydrophobicContact CE1-CD1 4.12Å; F1100-I1118 HydrophobicContact CE2-CD1 3.89Å; F1100-I1118 HydrophobicContact CG-CD1 3.6Å; F1100-I1118 HydrophobicContact CZ-CD1 4.13Å; G1104-I1118 CarbonylContact C-O 3.6Å; G1104-I1118 WeakPolarHBondContact CA-O 3.45Å; G1105-I1118 PolarHBondContact N-O 3.37Å; G1105-I1118 PolarHBondContact O-N 2.7Å; L1116-I1118 HydrophobicContact CD2-CD1 4.17Å; L1116-I1118 HydrophobicContact CD2-CG1 4.24Å; L1116-I1118 HydrophobicContact CG-CG1 4.4Å; I1118-A1122 HydrophobicContact CG2-CB 3.74Å; I1118-I1123 HydrophobicContact CG2-CD1 4.12Å; I1118-I1123 HydrophobicContact CG2-CG1 4.46Å; I1118-I1132 HydrophobicContact CD1-CD1 3.55Å; I1118-I1132 HydrophobicContact CD1-CG2 4.4Å; I1118-I1132 HydrophobicContact CG1-CD1 4.28Å; I1118-F1175 HydrophobicContact CG2-CE1 4.2Å; I1118-V1179 HydrophobicContact CG1-CG1 3.95Å
1119	P	87.3	Confident	79.9	Confident	35 Å²	35	63.1 Å²	63.1	23%	0.227	32%	0.322	C	S	.	.			trans	-71.3	158.1	-179.6	27.5	-31.7	0	0	0	112	G1121 A1122 K1177 P1178	P1119-G1121 PolarHBondContact O-N 2.92Å; P1119-A1122 HydrophobicContact CG-CB 4.08Å; P1119-A1122 WeakPolarHBondContact O-CB 3.45Å; P1119-A1122 PolarHBondContact O-N 2.86Å; P1119-K1177 HydrophobicContact CG-CB 3.93Å; P1119-P1178 WeakPolarHBondContact CD-O 3.23Å; P1119-P1178 WeakPolarHBondContact CG-O 3.43Å
1120	E	88.8	Confident	79.6	Confident	138 Å²	138	63.6 Å²	63.6	65%	0.645	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	130.7	172.4	178.8	170.1	-142.7	0	0	110.7	S1102 K1177	S1102-E1120 CarbonylContact O-C 3.41Å; S1102-E1120 WeakPolarHBondContact O-CA 3.4Å; E1120-K1177 VanDerWaalsContact O-CD 3.25Å; E1120-K1177 WeakPolarHBondContact O-CD 3.39Å; E1120-K1177 WeakPolarHBondContact O-CE 3.36Å; E1120-K1177 PolarHBondContact O-NZ 2.82Å
1121	G	85.1	Confident	79.3	Confident	25 Å²	25	66.2 Å²	66.2	26%	0.258	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	15.7	-171.3	0	0	0	0	0	114.5	S1102 P1119 K1177	S1102-G1121 PolarHBondContact O-N 3.5Å; P1119-G1121 PolarHBondContact O-N 2.92Å; G1121-K1177 WeakPolarHBondContact O-CG 3.41Å
1122	A	84	Confident	79.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-76.2	-27.3	169.3	0	0	0	0	0	113.1	I1118 P1119 F1175 H1176 K1177	I1118-A1122 HydrophobicContact CG2-CB 3.74Å; P1119-A1122 HydrophobicContact CG-CB 4.08Å; P1119-A1122 WeakPolarHBondContact O-CB 3.45Å; P1119-A1122 PolarHBondContact O-N 2.86Å; A1122-F1175 HydrophobicContact CB-CD1 4.12Å; A1122-F1175 CarbonylContact O-C 3.2Å; A1122-F1175 WeakPolarHBondContact O-CA 3.5Å; A1122-H1176 PolarHBondContact O-N 3.33Å; A1122-K1177 HydrophobicContact CB-CB 4.12Å
1123	I	82.3	Confident	79.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.293	C	S	.	.	S	Bend	trans	-114.6	140.1	179.4	-61.8	165.8	0	0	0	106.4	F1100 S1102 I1118 E1127 Q1130 I1132 L1173 F1175	F1100-I1123 HydrophobicContact CB-CD1 3.86Å; F1100-I1123 WeakPolarHBondContact O-CD1 3.17Å; S1102-I1123 WeakPolarHBondContact CA-O 3.29Å; I1118-I1123 HydrophobicContact CG2-CD1 4.12Å; I1118-I1123 HydrophobicContact CG2-CG1 4.46Å; I1123-E1127 HydrophobicContact CG2-CB 3.98Å; I1123-E1127 WeakPolarHBondContact CG2-OE2 3.5Å; I1123-Q1130 HydrophobicContact CD1-CB 4.21Å; I1123-Q1130 HydrophobicContact CG2-CB 4.44Å; I1123-Q1130 HydrophobicContact CG2-CG 3.73Å; I1123-I1132 HydrophobicContact CD1-CD1 3.98Å; I1123-L1173 HydrophobicContact CG1-CD2 4.24Å; I1123-L1173 HydrophobicContact CG2-CD2 4.44Å; I1123-F1175 HydrophobicContact CD1-CE1 4.27Å; I1123-F1175 HydrophobicContact CG1-CD1 4.09Å; I1123-F1175 HydrophobicContact CG1-CE1 3.96Å
1124	S	78.4	Confident	79.6	Confident	28 Å²	28	52.7 Å²	52.7	20%	0.196	27%	0.267	C	S	.	.			trans	-66.9	152.6	179	-173.7	0	0	0	0	111.2	E1126 E1127	S1124-E1126 PolarHBondContact O-N 2.94Å; S1124-E1126 PolarHBondContact OG-N 2.81Å; S1124-E1127 PolarHBondContact N-OE2 2.84Å; S1124-E1127 PolarHBondContact O-N 3.32Å
1125	E	80.2	Confident	79.3	Confident	161 Å²	161	55.4 Å²	55.4	75%	0.752	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.6	166.9	-70.4	-167.4	160.2	0	0	111.6	S1102 E1127 G1128	S1102-E1125 VanDerWaalsContact CB-CG 3.4Å; S1102-E1125 WeakPolarHBondContact OG-CG 3.4Å; S1102-E1125 PolarHBondContact OG-OE1 3.18Å; E1125-E1127 VanDerWaalsContact C-N 3.33Å; E1125-G1128 PolarHBondContact O-N 3.44Å
1126	E	79	Confident	78.6	Confident	185 Å²	185	54.3 Å²	54.3	86%	0.864	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.1	176.2	-58.7	178.4	163	0	0	112.7	S1124 G1128	S1124-E1126 PolarHBondContact O-N 2.94Å; S1124-E1126 PolarHBondContact OG-N 2.81Å; E1126-G1128 VanDerWaalsContact C-N 3.29Å; E1126-G1128 PolarHBondContact O-N 3.42Å
1127	E	67.7	Low	77.6	Confident	53 Å²	53	56.2 Å²	56.2	25%	0.248	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.8	176.5	-73.5	175.5	143.5	0	0	112.1	I1123 S1124 E1125 Q1130 L1173 T1174	I1123-E1127 HydrophobicContact CG2-CB 3.98Å; I1123-E1127 WeakPolarHBondContact CG2-OE2 3.5Å; S1124-E1127 PolarHBondContact N-OE2 2.84Å; S1124-E1127 PolarHBondContact O-N 3.32Å; E1125-E1127 VanDerWaalsContact C-N 3.33Å; E1127-Q1130 HydrophobicContact CB-CG 4.42Å; E1127-Q1130 PolarHBondContact O-NE2 3.1Å; E1127-L1173 HydrophobicContact CB-CD1 3.99Å; E1127-L1173 HydrophobicContact CG-CD1 3.81Å; E1127-L1173 WeakPolarHBondContact OE1-CD1 3.3Å; E1127-L1173 WeakPolarHBondContact OE1-CG 3.39Å; E1127-T1174 PolarHBondContact OE1-N 2.85Å
1128	G	79.4	Confident	76.3	Confident	33 Å²	33	54.2 Å²	54.2	34%	0.34	27%	0.273	S	S	.	.			trans	68.6	-147.6	178.2	0	0	0	0	0	114.4	G1101 E1125 E1126	G1101-G1128 WeakPolarHBondContact CA-O 3.44Å; E1125-G1128 PolarHBondContact O-N 3.44Å; E1126-G1128 VanDerWaalsContact C-N 3.29Å; E1126-G1128 PolarHBondContact O-N 3.42Å
1129	L	80.7	Confident	74.7	Confident	130 Å²	130	55.9 Å²	55.9	68%	0.681	28%	0.284	S	S	*	.	S	Bend	trans	-84.8	122.7	178.6	-73.6	175	0	0	0	111.3
1130	Q	76.4	Confident	72.7	Confident	13 Å²	13	56.7 Å²	56.7	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.5	-172.4	-65.8	-66.8	-25.3	0	0	111.1	E1099 F1100 I1123 E1127 L1173	E1099-Q1130 WeakPolarHBondContact CA-O 3.36Å; F1100-Q1130 PolarHBondContact N-O 3.41Å; F1100-Q1130 WeakPolarHBondContact O-CA 3.11Å; F1100-Q1130 WeakPolarHBondContact O-CB 3.34Å; F1100-Q1130 PolarHBondContact O-N 2.95Å; I1123-Q1130 HydrophobicContact CD1-CB 4.21Å; I1123-Q1130 HydrophobicContact CG2-CB 4.44Å; I1123-Q1130 HydrophobicContact CG2-CG 3.73Å; E1127-Q1130 HydrophobicContact CB-CG 4.42Å; E1127-Q1130 PolarHBondContact O-NE2 3.1Å; Q1130-L1173 HydrophobicContact CB-CD2 3.93Å; Q1130-L1173 HydrophobicContact CG-CD1 3.68Å; Q1130-L1173 HydrophobicContact CG-CD2 3.71Å; Q1130-L1173 HydrophobicContact CG-CG 4.35Å
1131	K	72.6	Confident	70.3	Confident	124 Å²	124	57.5 Å²	57.5	54%	0.539	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	117.4	-178.9	-168.2	166.8	-172.4	160.2	0	110.3	E1099 G1169	E1099-K1131 HydrophobicContact CG-CB 4.39Å; E1099-K1131 HydrophobicContact CG-CG 4.43Å; K1131-G1169 PolarHBondContact O-N 2.94Å
1132	I	74.7	Confident	67.9	Low	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.7	-175.1	-53.7	-175.1	0	0	0	108.7	C1097 G1098 F1100 L1107 L1116 I1118 I1123 V1166 M1167 C1168 F1175	C1097-I1132 CarbonylContact C-O 3.51Å; C1097-I1132 WeakPolarHBondContact CA-O 3.11Å; C1097-I1132 WeakPolarHBondContact CB-O 3.39Å; G1098-I1132 PolarHBondContact N-O 3.03Å; G1098-I1132 PolarHBondContact O-N 3.46Å; F1100-I1132 HydrophobicContact CB-CD1 4.07Å; F1100-I1132 HydrophobicContact CD2-CB 3.74Å; F1100-I1132 HydrophobicContact CD2-CD1 3.71Å; F1100-I1132 HydrophobicContact CD2-CG1 3.81Å; F1100-I1132 HydrophobicContact CE2-CB 3.95Å; F1100-I1132 HydrophobicContact CG-CD1 4.21Å; L1107-I1132 HydrophobicContact CD2-CG2 4.15Å; L1116-I1132 HydrophobicContact CD2-CG2 3.8Å; I1118-I1132 HydrophobicContact CD1-CD1 3.55Å; I1118-I1132 HydrophobicContact CD1-CG2 4.4Å; I1118-I1132 HydrophobicContact CG1-CD1 4.28Å; I1123-I1132 HydrophobicContact CD1-CD1 3.98Å; I1132-V1166 HydrophobicContact CG2-CG1 4.43Å; I1132-M1167 WeakPolarHBondContact CA-O 3.29Å; I1132-M1167 WeakPolarHBondContact CG2-O 3.47Å; I1132-C1168 HydrophobicContact CB-CB 4.36Å; I1132-C1168 HydrophobicContact CD1-CB 4.02Å; I1132-C1168 WeakPolarHBondContact CD1-SG 3.49Å; I1132-C1168 HydrophobicContact CG1-CB 3.81Å; I1132-C1168 VanDerWaalsContact CG1-SG 3.55Å; I1132-C1168 HydrophobicContact CG2-CB 4.01Å; I1132-F1175 HydrophobicContact CD1-CE1 4.19Å; I1132-F1175 HydrophobicContact CD1-CZ 4.13Å
1133	F	70.4	Confident	65.4	Low	27 Å²	27	72.1 Å²	72.1	12%	0.118	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.9	175.3	73.4	-103.4	0	0	0	113.4	K1096 C1097 R1135 M1165 V1166 M1167	K1096-F1133 CarbonylContact O-C 3.46Å; K1096-F1133 WeakPolarHBondContact O-CA 3.31Å; K1096-F1133 WeakPolarHBondContact O-CB 3.5Å; C1097-F1133 HydrophobicContact CB-CB 3.73Å; F1133-R1135 HydrophobicContact CD2-CG 3.86Å; F1133-R1135 HydrophobicContact CE2-CB 4.46Å; F1133-R1135 HydrophobicContact CE2-CG 3.79Å; F1133-R1135 VanDerWaalsContact CE2-CZ 3.48Å; F1133-R1135 VanDerWaalsContact CZ-CZ 3.48Å; F1133-M1165 HydrophobicContact CE2-CE 3.68Å; F1133-M1165 HydrophobicContact CZ-CE 3.9Å; F1133-V1166 WeakPolarHBondContact O-CA 3.36Å; F1133-M1167 HydrophobicContact CD1-CB 4.27Å; F1133-M1167 HydrophobicContact CE1-CB 3.63Å; F1133-M1167 HydrophobicContact CE1-CE 3.62Å; F1133-M1167 HydrophobicContact CE1-CG 4.01Å; F1133-M1167 HydrophobicContact CE1-SD 4.39Å; F1133-M1167 HydrophobicContact CE2-CB 4.21Å; F1133-M1167 HydrophobicContact CE2-CG 3.96Å; F1133-M1167 HydrophobicContact CZ-CB 3.59Å; F1133-M1167 HydrophobicContact CZ-CE 3.56Å; F1133-M1167 HydrophobicContact CZ-CG 3.43Å; F1133-M1167 VanDerWaalsContact CZ-CG 3.43Å; F1133-M1167 HydrophobicContact CZ-SD 3.78Å; F1133-M1167 PolarHBondContact N-O 2.81Å; F1133-M1167 PolarHBondContact O-N 3.44Å
1134	I	73.2	Confident	63	Low	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.1	168.3	-60.9	169	0	0	0	107.5	E1095 K1096 L1107 I1109 V1114 L1116 V1136 P1164 M1165 V1166	E1095-I1134 VanDerWaalsContact CA-O 3.3Å; E1095-I1134 WeakPolarHBondContact CA-O 3.22Å; K1096-I1134 PolarHBondContact N-O 2.86Å; K1096-I1134 PolarHBondContact O-N 2.79Å; L1107-I1134 HydrophobicContact CB-CD1 4.07Å; L1107-I1134 HydrophobicContact CD2-CD1 4.05Å; L1107-I1134 HydrophobicContact CD2-CG1 3.78Å; L1107-I1134 HydrophobicContact CG-CD1 3.79Å; L1107-I1134 HydrophobicContact CG-CG1 4.08Å; L1107-I1134 WeakPolarHBondContact O-CD1 3.34Å; I1109-I1134 HydrophobicContact CD1-CB 3.94Å; I1109-I1134 HydrophobicContact CD1-CG2 3.66Å; V1114-I1134 HydrophobicContact CG1-CD1 4.36Å; V1114-I1134 HydrophobicContact CG1-CG2 3.84Å; L1116-I1134 HydrophobicContact CB-CD1 3.59Å; L1116-I1134 HydrophobicContact CB-CG1 4.19Å; L1116-I1134 HydrophobicContact CD2-CG1 4.5Å; I1134-V1136 HydrophobicContact CG2-CG2 4.41Å; I1134-P1164 HydrophobicContact CG2-CB 3.81Å; I1134-M1165 CarbonylContact C-O 3.52Å; I1134-M1165 WeakPolarHBondContact CA-O 3.26Å; I1134-V1166 HydrophobicContact CG1-CG2 4.41Å
1135	R	70.7	Confident	60.7	Low	63 Å²	63	81.2 Å²	81.2	24%	0.238	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.6	167.6	-77.5	177.7	-170	141.9	14.2	111	I1092 A1094 E1095 F1133 Y1137 P1164 M1165	I1092-R1135 HydrophobicContact CG2-CB 4.43Å; I1092-R1135 HydrophobicContact CG2-CG 4.29Å; A1094-R1135 CarbonylContact O-C 3.57Å; A1094-R1135 WeakPolarHBondContact O-CA 3.18Å; E1095-R1135 HydrophobicContact CB-CG 4.12Å; E1095-R1135 HydrophobicContact CG-CG 3.88Å; E1095-R1135 IonicContact OE1-CZ 2.87Å; E1095-R1135 IonicContact OE1-NE 3.68Å; E1095-R1135 PolarHBondContact OE1-NE 2.86Å; E1095-R1135 IonicContact OE1-NH2 3.46Å; E1095-R1135 PolarHBondContact OE1-NH2 3.07Å; F1133-R1135 HydrophobicContact CD2-CG 3.86Å; F1133-R1135 HydrophobicContact CE2-CB 4.46Å; F1133-R1135 HydrophobicContact CE2-CG 3.79Å; F1133-R1135 VanDerWaalsContact CE2-CZ 3.48Å; F1133-R1135 VanDerWaalsContact CZ-CZ 3.48Å; R1135-Y1137 HydrophobicContact CB-CE2 3.81Å; R1135-P1164 CarbonylContact O-C 3.57Å; R1135-P1164 WeakPolarHBondContact O-CA 3.43Å; R1135-M1165 PolarHBondContact N-O 3Å; R1135-M1165 PolarHBondContact O-N 2.84Å
1136	V	65.7	Low	58.3	Low	3 Å²	3	80 Å²	80	2%	0.018	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.4	177.7	177.4	0	0	0	0	107.9	I1092 L1093 A1094 I1109 H1112 V1114 I1134 L1161	I1092-V1136 CarbonylContact C-O 3.51Å; I1092-V1136 WeakPolarHBondContact CA-O 3.38Å; L1093-V1136 HydrophobicContact CB-CG1 4.29Å; L1093-V1136 PolarHBondContact N-O 2.85Å; A1094-V1136 HydrophobicContact CB-CB 4.27Å; A1094-V1136 PolarHBondContact N-O 2.93Å; A1094-V1136 PolarHBondContact O-N 2.88Å; I1109-V1136 HydrophobicContact CD1-CG2 3.91Å; H1112-V1136 HydrophobicContact CB-CG1 4.45Å; H1112-V1136 HydrophobicContact CB-CG2 4.37Å; V1114-V1136 HydrophobicContact CG2-CG2 4.1Å; I1134-V1136 HydrophobicContact CG2-CG2 4.41Å; V1136-L1161 HydrophobicContact CG1-CD2 3.11Å
1137	Y	62	Low	56	Low	39 Å²	39	78.6 Å²	78.6	15%	0.153	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	153.3	-172.9	-66.7	-89.7	0	0	0	113.1	R1090 T1091 I1092 L1093 R1135 V1162 M1165	R1090-Y1137 HydrophobicContact CB-CD1 3.99Å; T1091-Y1137 CarbonylContact O-C 3.45Å; T1091-Y1137 WeakPolarHBondContact O-CA 3.41Å; I1092-Y1137 HydrophobicContact CG1-CD1 4.04Å; I1092-Y1137 HydrophobicContact CG1-CE1 3.65Å; L1093-Y1137 WeakPolarHBondContact CD1-O 3.04Å; R1135-Y1137 HydrophobicContact CB-CE2 3.81Å; Y1137-V1162 PolarHBondContact N-O 2.97Å; Y1137-V1162 PolarHBondContact O-N 3.01Å; Y1137-M1165 HydrophobicContact CE2-CB 3.81Å; Y1137-M1165 VanDerWaalsContact OH-CE 3.3Å; Y1137-M1165 WeakPolarHBondContact OH-CE 3.38Å
1138	E	56.8	Low	54.2	Low	77 Å²	77	82.5 Å²	82.5	36%	0.36	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.8	173.7	-172.7	165.4	-131.7	0	0	109.9	T1091 L1093 G1140	T1091-E1138 WeakPolarHBondContact CB-OE2 3.39Å; T1091-E1138 PolarHBondContact O-N 3.28Å; T1091-E1138 PolarHBondContact OG1-OE2 2.87Å; L1093-E1138 HydrophobicContact CD1-CB 4.34Å; L1093-E1138 HydrophobicContact CD2-CB 3.92Å; L1093-E1138 HydrophobicContact CD2-CG 4.19Å; L1093-E1138 HydrophobicContact CG-CB 3.9Å; E1138-G1140 PolarHBondContact O-N 2.93Å
1139	S	53.6	Low	51.9	Low	37 Å²	37	86.9 Å²	86.9	26%	0.259	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-74.4	118.1	171.2	-163.2	0	0	0	0	109.1	N1141 I1160 V1162	S1139-N1141 PolarHBondContact O-N 3.03Å; S1139-I1160 VanDerWaalsContact CB-O 3.25Å; S1139-I1160 WeakPolarHBondContact CB-O 3.3Å; S1139-V1162 WeakPolarHBondContact OG-CG2 3.43Å
1140	G	46	Very low	49.4	Very low	53 Å²	53	89.7 Å²	89.7	55%	0.546	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-73.2	122.3	169.9	0	0	0	0	0	109.3	E1138 E1142	E1138-G1140 PolarHBondContact O-N 2.93Å; G1140-E1142 PolarHBondContact O-N 2.74Å
1141	N	38.2	Very low	47.2	Very low	155 Å²	155	98 Å²	98	83%	0.829	52%	0.518	S	S	*	.			trans	-72.1	45.9	172.5	-86.8	-5.7	0	0	0	112.2	S1139 L1143	S1139-N1141 PolarHBondContact O-N 3.03Å; N1141-L1143 VanDerWaalsContact C-N 3.29Å; N1141-L1143 PolarHBondContact O-N 2.83Å
1142	E	34.9	Very low	45.1	Very low	179 Å²	179	98.7 Å²	98.7	84%	0.836	53%	0.527	S	S	*	.			trans	-96.1	45.1	173.5	-68.2	-172.8	163	0	0	111.3	G1140	G1140-E1142 PolarHBondContact O-N 2.74Å
1143	L	31.5	Very low	43	Very low	153 Å²	153	108 Å²	108	80%	0.801	57%	0.57	S	S	*	*			trans	-94	98	148.9	-79.1	170	0	0	0	106.7	N1141 V1145	N1141-L1143 VanDerWaalsContact C-N 3.29Å; N1141-L1143 PolarHBondContact O-N 2.83Å; L1143-V1145 WeakPolarHBondContact O-CG2 3.07Å; L1143-V1145 PolarHBondContact O-N 2.84Å
1144	T	30.5	Very low	41	Very low	120 Å²	120	114.3 Å²	114.3	74%	0.736	60%	0.604	S	S	*	*			trans	-65.7	98.8	167.8	40.5	0	0	0	0	108.8	D1146	T1144-D1146 PolarHBondContact O-N 3.36Å
1145	V	30.6	Very low	38.8	Very low	100 Å²	100	120.1 Å²	120.1	61%	0.606	65%	0.645	S	S	*	*			trans	-77.5	62.4	178.1	-170.3	0	0	0	0	110	L1143 N1147 L1148	L1143-V1145 WeakPolarHBondContact O-CG2 3.07Å; L1143-V1145 PolarHBondContact O-N 2.84Å; V1145-N1147 PolarHBondContact O-N 3.37Å; V1145-N1147 VanDerWaalsContact O-N 3.16Å; V1145-L1148 HydrophobicContact CG1-CB 3.96Å
1146	D	29.5	Very low	37	Very low	136 Å²	136	122 Å²	122	73%	0.727	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	20.8	175.8	-75.8	-33.9	0	0	0	112.7	T1144	T1144-D1146 PolarHBondContact O-N 3.36Å
1147	N	30.6	Very low	35.3	Very low	155 Å²	155	130.1 Å²	130.1	83%	0.829	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.4	18.4	-175.6	-89.4	-59.8	0	0	0	116.3	V1145	V1145-N1147 PolarHBondContact O-N 3.37Å; V1145-N1147 VanDerWaalsContact O-N 3.16Å
1148	L	30.9	Very low	34.1	Very low	136 Å²	136	136.5 Å²	136.5	71%	0.712	74%	0.739	S	S	*	*	S	Bend	trans	-130.1	144.6	165.3	-88.9	99.5	0	0	0	113.2	V1145	V1145-L1148 HydrophobicContact CG1-CB 3.96Å
1149	P	30.5	Very low	32.8	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	75%	0.753	S	S	*	*			trans	-76.5	141.3	-169	-11.2	28.9	0	0	0	112.2	E1151	P1149-E1151 PolarHBondContact O-N 3.39Å
1150	H	27.9	Very low	32.4	Very low	189 Å²	189	141 Å²	141	88%	0.875	77%	0.767	S	S	*	*			trans	-64	129.1	169.6	-58.7	-69.3	0	0	0	111.4
1151	E	30.7	Very low	32	Very low	187 Å²	187	140.1 Å²	140.1	87%	0.874	75%	0.75	S	S	*	*			trans	-154	150.7	132.1	-121.6	178.1	-143.7	0	0	113.6	P1149	P1149-E1151 PolarHBondContact O-N 3.39Å
1152	N	28.1	Very low	32.6	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	71%	0.714	S	S	*	*			trans	-67.3	131.8	-161.2	-49	-75.8	0	0	0	115
1153	H	31.1	Very low	33.3	Very low	197 Å²	197	125.4 Å²	125.4	91%	0.912	68%	0.678	S	S	*	*			trans	-151.8	140.1	141.6	-92.9	-65.3	0	0	0	112.1
1154	L	28	Very low	34.3	Very low	158 Å²	158	118.5 Å²	118.5	83%	0.827	64%	0.643	S	S	*	*			trans	-80.1	157.7	-176	-84.4	67.8	0	0	0	113
1155	S	26.9	Very low	35.2	Very low	122 Å²	122	114 Å²	114	85%	0.853	61%	0.614	S	S	*	*			trans	82.9	98	155	70.3	0	0	0	0	120.3
1156	S	33.4	Very low	36.1	Very low	102 Å²	102	109.3 Å²	109.3	71%	0.713	59%	0.585	S	S	*	*			trans	-170.1	90	137.4	-174.2	0	0	0	0	111.5	K1158	S1156-K1158 PolarHBondContact O-N 3.4Å
1157	D	29.9	Very low	37	Very low	174 Å²	174	105.9 Å²	105.9	93%	0.93	57%	0.566	S	S	*	*			trans	-76.4	83.9	175.4	-71	-34.1	0	0	0	111.7
1158	K	35.8	Very low	38	Very low	173 Å²	173	98.8 Å²	98.8	75%	0.752	53%	0.528	S	S	*	.			trans	-139.7	120.2	168.8	-74.3	-176.7	-177.5	166.1	0	112.1	S1156	S1156-K1158 PolarHBondContact O-N 3.4Å
1159	P	31.3	Very low	38.9	Very low	98 Å²	98	93.6 Å²	93.6	64%	0.636	51%	0.507	S	S	*	.			trans	-68.2	138.8	175.9	27.8	-33.5	0	0	0	111.5
1160	I	43.3	Very low	39.7	Very low	111 Å²	111	92 Å²	92	57%	0.569	50%	0.497	S	S	*	.			trans	-80.7	147.3	174	-62.7	170	0	0	0	108.7	S1139	S1139-I1160 VanDerWaalsContact CB-O 3.25Å; S1139-I1160 WeakPolarHBondContact CB-O 3.3Å
1161	L	39.1	Very low	40.6	Very low	35 Å²	35	92.1 Å²	92.1	18%	0.183	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.6	-166.1	-94.4	156.4	0	0	0	112.4	L1093 H1112 V1136 Y1186	L1093-L1161 HydrophobicContact CD1-CD2 3.57Å; L1093-L1161 HydrophobicContact CD1-CG 4.29Å; H1112-L1161 WeakPolarHBondContact ND1-CD1 3.23Å; H1112-L1161 WeakPolarHBondContact ND1-CD2 3.41Å; V1136-L1161 HydrophobicContact CG1-CD2 3.11Å; L1161-Y1186 HydrophobicContact CB-CE2 4.37Å; L1161-Y1186 VanDerWaalsContact CD1-OH 3.26Å; L1161-Y1186 WeakPolarHBondContact CD1-OH 3.48Å
1162	V	49.5	Very low	41.6	Very low	10 Å²	10	85.6 Å²	85.6	6%	0.061	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.2	-179.5	171.8	0	0	0	0	110.7	Y1137 S1139	Y1137-V1162 PolarHBondContact N-O 2.97Å; Y1137-V1162 PolarHBondContact O-N 3.01Å; S1139-V1162 WeakPolarHBondContact OG-CG2 3.43Å
1163	S	51.3	Low	43.3	Very low	14 Å²	14	79.5 Å²	79.5	10%	0.098	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	42.3	104.9	153.4	-62.3	0	0	0	0	119.1	M1165 I1283	S1163-M1165 PolarHBondContact O-N 3.44Å; S1163-I1283 WeakPolarHBondContact CB-O 3.48Å; S1163-I1283 VanDerWaalsContact OG-C 3.31Å; S1163-I1283 PolarHBondContact OG-O 3.21Å
1164	P	51.8	Low	44.8	Very low	8 Å²	8	72.3 Å²	72.3	5%	0.052	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.9	168.1	29.8	-34.7	0	0	0	112.2	V1114 I1134 R1135 L1181 V1183 I1283	V1114-P1164 HydrophobicContact CG1-CB 3.68Å; V1114-P1164 HydrophobicContact CG1-CG 3.89Å; V1114-P1164 HydrophobicContact CG2-CB 4.44Å; V1114-P1164 HydrophobicContact CG2-CG 4.46Å; I1134-P1164 HydrophobicContact CG2-CB 3.81Å; R1135-P1164 CarbonylContact O-C 3.57Å; R1135-P1164 WeakPolarHBondContact O-CA 3.43Å; P1164-L1181 HydrophobicContact CG-CD1 4.19Å; P1164-L1181 HydrophobicContact CG-CD2 4.19Å; P1164-V1183 HydrophobicContact CG-CG1 3.44Å; P1164-V1183 VanDerWaalsContact CG-CG1 3.44Å; P1164-I1283 HydrophobicContact CG-CD1 4.28Å
1165	M	50	Low	46.9	Very low	25 Å²	25	65.5 Å²	65.5	12%	0.123	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.7	167.5	-174.9	179.1	76.2	0	0	109.5	F1133 I1134 R1135 Y1137 S1163 M1167 I1281	F1133-M1165 HydrophobicContact CE2-CE 3.68Å; F1133-M1165 HydrophobicContact CZ-CE 3.9Å; I1134-M1165 CarbonylContact C-O 3.52Å; I1134-M1165 WeakPolarHBondContact CA-O 3.26Å; R1135-M1165 PolarHBondContact N-O 3Å; R1135-M1165 PolarHBondContact O-N 2.84Å; Y1137-M1165 HydrophobicContact CE2-CB 3.81Å; Y1137-M1165 VanDerWaalsContact OH-CE 3.3Å; Y1137-M1165 WeakPolarHBondContact OH-CE 3.38Å; S1163-M1165 PolarHBondContact O-N 3.44Å; M1165-M1167 HydrophobicContact CE-CG 4.01Å; M1165-M1167 HydrophobicContact CE-SD 3.94Å; M1165-M1167 HydrophobicContact CG-CG 4.26Å; M1165-M1167 HydrophobicContact SD-CG 4.37Å; M1165-M1167 HydrophobicContact SD-SD 4.32Å; M1165-I1281 WeakPolarHBondContact CG-O 3.19Å
1166	V	49.3	Very low	49.2	Very low	2 Å²	2	65.4 Å²	65.4	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121	174.4	-178.2	0	0	0	0	108.4	L1116 I1132 F1133 I1134 L1181 I1279	L1116-V1166 HydrophobicContact CD1-CG1 4.08Å; L1116-V1166 HydrophobicContact CD1-CG2 4Å; L1116-V1166 HydrophobicContact CD2-CG1 3.59Å; L1116-V1166 HydrophobicContact CD2-CG2 4.48Å; L1116-V1166 HydrophobicContact CG-CG1 4.48Å; I1132-V1166 HydrophobicContact CG2-CG1 4.43Å; F1133-V1166 WeakPolarHBondContact O-CA 3.36Å; I1134-V1166 HydrophobicContact CG1-CG2 4.41Å; V1166-L1181 HydrophobicContact CG2-CD1 4.23Å; V1166-L1181 HydrophobicContact CG2-CD2 4.18Å; V1166-I1279 WeakPolarHBondContact O-CG2 3.44Å
1167	M	48.7	Very low	51.3	Low	65 Å²	65	65.3 Å²	65.3	32%	0.32	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.7	164.7	-45.7	-161.7	-23.9	0	0	110.2	I1132 F1133 M1165	I1132-M1167 WeakPolarHBondContact CA-O 3.29Å; I1132-M1167 WeakPolarHBondContact CG2-O 3.47Å; F1133-M1167 HydrophobicContact CD1-CB 4.27Å; F1133-M1167 HydrophobicContact CE1-CB 3.63Å; F1133-M1167 HydrophobicContact CE1-CE 3.62Å; F1133-M1167 HydrophobicContact CE1-CG 4.01Å; F1133-M1167 HydrophobicContact CE1-SD 4.39Å; F1133-M1167 HydrophobicContact CE2-CB 4.21Å; F1133-M1167 HydrophobicContact CE2-CG 3.96Å; F1133-M1167 HydrophobicContact CZ-CB 3.59Å; F1133-M1167 HydrophobicContact CZ-CE 3.56Å; F1133-M1167 HydrophobicContact CZ-CG 3.43Å; F1133-M1167 VanDerWaalsContact CZ-CG 3.43Å; F1133-M1167 HydrophobicContact CZ-SD 3.78Å; F1133-M1167 PolarHBondContact N-O 2.81Å; F1133-M1167 PolarHBondContact O-N 3.44Å; M1165-M1167 HydrophobicContact CE-CG 4.01Å; M1165-M1167 HydrophobicContact CE-SD 3.94Å; M1165-M1167 HydrophobicContact CG-CG 4.26Å; M1165-M1167 HydrophobicContact SD-CG 4.37Å; M1165-M1167 HydrophobicContact SD-SD 4.32Å
1168	C	50.5	Low	53.3	Low	6 Å²	6	59.6 Å²	59.6	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	121.8	-166	162.9	0	0	0	0	109.7	I1132 L1173 F1175 I1279	I1132-C1168 HydrophobicContact CB-CB 4.36Å; I1132-C1168 HydrophobicContact CD1-CB 4.02Å; I1132-C1168 WeakPolarHBondContact CD1-SG 3.49Å; I1132-C1168 HydrophobicContact CG1-CB 3.81Å; I1132-C1168 VanDerWaalsContact CG1-SG 3.55Å; I1132-C1168 HydrophobicContact CG2-CB 4.01Å; C1168-L1173 WeakPolarHBondContact SG-CD2 3.35Å; C1168-F1175 HydrophobicContact CB-CE2 4.2Å; C1168-F1175 HydrophobicContact CB-CZ 3.79Å; C1168-F1175 VanDerWaalsContact SG-CE1 3.52Å; C1168-F1175 WeakPolarHBondContact SG-CZ 3.14Å; C1168-I1279 HydrophobicContact CB-CB 4.44Å; C1168-I1279 HydrophobicContact CB-CD1 3.9Å; C1168-I1279 HydrophobicContact CB-CG1 4.38Å; C1168-I1279 HydrophobicContact CB-CG2 4.16Å
1169	G	50.6	Low	55.1	Low	26 Å²	26	51.3 Å²	51.3	27%	0.268	28%	0.283	S	S	.	.	S	Bend	trans	68.1	175.1	176.9	0	0	0	0	0	115.9	K1131	K1131-G1169 PolarHBondContact O-N 2.94Å
1170	P	46.3	Very low	57.1	Low	91 Å²	91	49.6 Å²	49.6	59%	0.591	27%	0.266	S	S	*	.	S	Bend	trans	-32.1	141	141.8	12.3	-32.9	0	0	0	113.9	G1172 L1173	P1170-G1172 PolarHBondContact O-N 3.16Å; P1170-L1173 PolarHBondContact O-N 3.27Å
1171	R	46.9	Very low	58.6	Low	192 Å²	192	44.4 Å²	44.4	73%	0.725	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	122.3	174	-68.2	176.4	172.7	-172.4	-7.2	109.6
1172	G	51.7	Low	60.2	Low	51 Å²	51	44.9 Å²	44.9	53%	0.526	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.4	-11.5	-178.5	0	0	0	0	0	114.5	P1170 T1174	P1170-G1172 PolarHBondContact O-N 3.16Å; G1172-T1174 PolarHBondContact O-N 3.33Å; G1172-T1174 PolarHBondContact O-OG1 2.63Å
1173	L	63.2	Low	60.9	Low	9 Å²	9	45.2 Å²	45.2	5%	0.047	25%	0.246	C	C	.	.			trans	-53.7	138.1	176.2	-149.9	82.8	0	0	0	111.5	I1123 E1127 Q1130 C1168 P1170 I1279	I1123-L1173 HydrophobicContact CG1-CD2 4.24Å; I1123-L1173 HydrophobicContact CG2-CD2 4.44Å; E1127-L1173 HydrophobicContact CB-CD1 3.99Å; E1127-L1173 HydrophobicContact CG-CD1 3.81Å; E1127-L1173 WeakPolarHBondContact OE1-CD1 3.3Å; E1127-L1173 WeakPolarHBondContact OE1-CG 3.39Å; Q1130-L1173 HydrophobicContact CB-CD2 3.93Å; Q1130-L1173 HydrophobicContact CG-CD1 3.68Å; Q1130-L1173 HydrophobicContact CG-CD2 3.71Å; Q1130-L1173 HydrophobicContact CG-CG 4.35Å; C1168-L1173 WeakPolarHBondContact SG-CD2 3.35Å; P1170-L1173 PolarHBondContact O-N 3.27Å; L1173-I1279 HydrophobicContact CB-CD1 4.43Å; L1173-I1279 WeakPolarHBondContact O-CD1 3.49Å
1174	T	64.2	Low	61.1	Low	47 Å²	47	45.7 Å²	45.7	29%	0.288	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-123.1	117.6	-174.2	-55.3	0	0	0	0	109.8	E1127 G1172 H1176 H1278	E1127-T1174 PolarHBondContact OE1-N 2.85Å; G1172-T1174 PolarHBondContact O-N 3.33Å; G1172-T1174 PolarHBondContact O-OG1 2.63Å; T1174-H1176 PolarHBondContact O-N 3.39Å; T1174-H1176 VanDerWaalsContact O-N 3.14Å; T1174-H1278 PolarHBondContact OG1-CE1 3.39Å; T1174-H1278 PolarHBondContact OG1-ND1 3.45Å; T1174-H1278 VanDerWaalsContact OG1-ND1 3.12Å
1175	F	71.4	Confident	60.9	Low	14 Å²	14	53 Å²	53	6%	0.061	28%	0.275	C	S	.	.			trans	-75.6	105.5	176.9	-72.3	-53.3	0	0	0	111.4	I1118 A1122 I1123 I1132 C1168 K1177 V1179 I1279	I1118-F1175 HydrophobicContact CG2-CE1 4.2Å; A1122-F1175 HydrophobicContact CB-CD1 4.12Å; A1122-F1175 CarbonylContact O-C 3.2Å; A1122-F1175 WeakPolarHBondContact O-CA 3.5Å; I1123-F1175 HydrophobicContact CD1-CE1 4.27Å; I1123-F1175 HydrophobicContact CG1-CD1 4.09Å; I1123-F1175 HydrophobicContact CG1-CE1 3.96Å; I1132-F1175 HydrophobicContact CD1-CE1 4.19Å; I1132-F1175 HydrophobicContact CD1-CZ 4.13Å; C1168-F1175 HydrophobicContact CB-CE2 4.2Å; C1168-F1175 HydrophobicContact CB-CZ 3.79Å; C1168-F1175 VanDerWaalsContact SG-CE1 3.52Å; C1168-F1175 WeakPolarHBondContact SG-CZ 3.14Å; F1175-K1177 PolarHBondContact O-N 2.94Å; F1175-V1179 HydrophobicContact CB-CG2 4.12Å; F1175-V1179 HydrophobicContact CD1-CG2 3.71Å; F1175-V1179 HydrophobicContact CD2-CB 4.35Å; F1175-V1179 HydrophobicContact CD2-CG2 3.51Å; F1175-V1179 HydrophobicContact CE1-CG2 3.83Å; F1175-V1179 HydrophobicContact CE2-CB 4.31Å; F1175-V1179 HydrophobicContact CE2-CG2 3.65Å; F1175-V1179 HydrophobicContact CG-CG2 3.53Å; F1175-V1179 HydrophobicContact CZ-CG2 3.79Å; F1175-I1279 HydrophobicContact CD2-CD1 3.53Å; F1175-I1279 HydrophobicContact CD2-CG1 3.94Å; F1175-I1279 HydrophobicContact CE2-CD1 3.46Å; F1175-I1279 VanDerWaalsContact CE2-CD1 3.46Å; F1175-I1279 HydrophobicContact CE2-CG1 3.79Å; F1175-I1279 HydrophobicContact CG-CD1 4.21Å; F1175-I1279 HydrophobicContact CZ-CD1 4.11Å
1176	H	75.2	Confident	60.5	Low	121 Å²	121	57.9 Å²	57.9	56%	0.56	29%	0.293	S	S	*	.	S	Bend	trans	-65.8	-18.2	176.5	-63.4	-76.5	0	0	0	114.1	A1122 T1174	A1122-H1176 PolarHBondContact O-N 3.33Å; T1174-H1176 PolarHBondContact O-N 3.39Å; T1174-H1176 VanDerWaalsContact O-N 3.14Å
1177	K	77.1	Confident	59.8	Low	100 Å²	100	63 Å²	63	44%	0.435	33%	0.326	S	S	.	.	S	Bend	trans	-132	146.8	173.8	-68	-179.1	-167.6	175.8	0	110.4	P1119 E1120 G1121 A1122 F1175	P1119-K1177 HydrophobicContact CG-CB 3.93Å; E1120-K1177 VanDerWaalsContact O-CD 3.25Å; E1120-K1177 WeakPolarHBondContact O-CD 3.39Å; E1120-K1177 WeakPolarHBondContact O-CE 3.36Å; E1120-K1177 PolarHBondContact O-NZ 2.82Å; G1121-K1177 WeakPolarHBondContact O-CG 3.41Å; A1122-K1177 HydrophobicContact CB-CB 4.12Å; F1175-K1177 PolarHBondContact O-N 2.94Å
1178	P	71.3	Confident	59.1	Low	53 Å²	53	66.8 Å²	66.8	34%	0.344	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-61.4	138.3	-175	-24.4	35.4	0	0	0	113.4	P1119 V1273 I1274 K1275	P1119-P1178 WeakPolarHBondContact CD-O 3.23Å; P1119-P1178 WeakPolarHBondContact CG-O 3.43Å; P1178-V1273 HydrophobicContact CB-CG1 3.65Å; P1178-I1274 CarbonylContact C-O 3.52Å; P1178-I1274 WeakPolarHBondContact CA-O 3.46Å; P1178-I1274 WeakPolarHBondContact CB-O 3.26Å; P1178-K1275 HydrophobicContact CB-CG 4.01Å; P1178-K1275 HydrophobicContact CG-CD 4.31Å; P1178-K1275 HydrophobicContact CG-CG 3.87Å
1179	V	73.9	Confident	58.2	Low	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.7	179.1	-178.4	0	0	0	0	109.8	L1116 R1117 I1118 F1175 I1274	L1116-V1179 HydrophobicContact CD1-CG1 3.45Å; L1116-V1179 VanDerWaalsContact CD1-CG1 3.45Å; L1116-V1179 HydrophobicContact CD2-CG1 4.46Å; L1116-V1179 HydrophobicContact CG-CG1 3.82Å; R1117-V1179 WeakPolarHBondContact O-CG1 3.4Å; I1118-V1179 HydrophobicContact CG1-CG1 3.95Å; F1175-V1179 HydrophobicContact CB-CG2 4.12Å; F1175-V1179 HydrophobicContact CD1-CG2 3.71Å; F1175-V1179 HydrophobicContact CD2-CB 4.35Å; F1175-V1179 HydrophobicContact CD2-CG2 3.51Å; F1175-V1179 HydrophobicContact CE1-CG2 3.83Å; F1175-V1179 HydrophobicContact CE2-CB 4.31Å; F1175-V1179 HydrophobicContact CE2-CG2 3.65Å; F1175-V1179 HydrophobicContact CG-CG2 3.53Å; F1175-V1179 HydrophobicContact CZ-CG2 3.79Å; V1179-I1274 PolarHBondContact N-O 3.29Å; V1179-I1274 VanDerWaalsContact N-O 3.08Å; V1179-I1274 PolarHBondContact O-N 3.35Å
1180	E	74.7	Confident	57.3	Low	61 Å²	61	79.4 Å²	79.4	29%	0.285	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.4	-176.3	-66.3	170.2	166.6	0	0	110.3	L1116 R1117 L1271	L1116-E1180 CarbonylContact C-O 3.09Å; L1116-E1180 WeakPolarHBondContact CA-O 3.43Å; R1117-E1180 HydrophobicContact CB-CB 4.22Å; R1117-E1180 WeakPolarHBondContact CD-OE2 3.33Å; R1117-E1180 IonicContact CZ-OE2 3.54Å; R1117-E1180 PolarHBondContact N-O 3.08Å; R1117-E1180 IonicContact NE-OE2 2.97Å; R1117-E1180 IonicContact NH1-OE1 2.93Å; R1117-E1180 PolarHBondContact NH1-OE1 3.44Å; R1117-E1180 IonicContact NH1-OE2 3.23Å; R1117-E1180 PolarHBondContact NH1-OE2 3.44Å; R1117-E1180 PolarHBondContact O-N 2.73Å; E1180-L1271 HydrophobicContact CB-CD1 4.25Å
1181	L	74.7	Confident	56.4	Low	3 Å²	3	84.5 Å²	84.5	2%	0.016	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	175.4	177.4	62	0	0	0	110	V1114 C1115 L1116 P1164 V1166 S1272 I1274 I1283	V1114-L1181 HydrophobicContact CG1-CD1 4.13Å; C1115-L1181 CarbonylContact O-C 3.53Å; C1115-L1181 WeakPolarHBondContact O-CA 3.24Å; L1116-L1181 HydrophobicContact CD1-CB 4.19Å; L1116-L1181 HydrophobicContact CD1-CD1 4.2Å; P1164-L1181 HydrophobicContact CG-CD1 4.19Å; P1164-L1181 HydrophobicContact CG-CD2 4.19Å; V1166-L1181 HydrophobicContact CG2-CD1 4.23Å; V1166-L1181 HydrophobicContact CG2-CD2 4.18Å; L1181-S1272 PolarHBondContact N-O 3.46Å; L1181-S1272 PolarHBondContact O-N 2.91Å; L1181-I1274 HydrophobicContact CB-CD1 4.18Å; L1181-I1283 HydrophobicContact CD2-CD1 3.87Å
1182	T	71.2	Confident	55.8	Low	44 Å²	44	80.5 Å²	80.5	27%	0.27	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.7	177.8	-54.4	0	0	0	0	110.2	V1114 C1115 I1270	V1114-T1182 WeakPolarHBondContact CA-O 3.26Å; C1115-T1182 PolarHBondContact N-O 3.36Å; C1115-T1182 PolarHBondContact O-N 2.92Å; T1182-I1270 WeakPolarHBondContact CA-O 3.49Å
1183	V	65.6	Low	54.8	Low	18 Å²	18	83 Å²	83	11%	0.109	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.5	174.4	-63.8	0	0	0	0	111.4	P1164 L1209 G1269 I1270	P1164-V1183 HydrophobicContact CG-CG1 3.44Å; P1164-V1183 VanDerWaalsContact CG-CG1 3.44Å; V1183-L1209 HydrophobicContact CG2-CD1 4.46Å; V1183-G1269 CarbonylContact O-C 3.57Å; V1183-G1269 WeakPolarHBondContact O-CA 3.38Å; V1183-I1270 HydrophobicContact CG2-CB 3.78Å; V1183-I1270 HydrophobicContact CG2-CD1 4.44Å; V1183-I1270 HydrophobicContact CG2-CG1 4.29Å; V1183-I1270 PolarHBondContact N-O 3.27Å; V1183-I1270 PolarHBondContact O-N 2.9Å
1184	P	55.9	Low	53.6	Low	24 Å²	24	90 Å²	90	16%	0.156	47%	0.474	C	S	.	.			trans	-62.1	143.6	178.6	24.4	-33.9	0	0	0	112.9	H1112 K1113 Y1186	H1112-P1184 WeakPolarHBondContact O-CD 3.39Å; H1112-P1184 WeakPolarHBondContact O-CG 3.49Å; K1113-P1184 HydrophobicContact CB-CB 4.12Å; K1113-P1184 HydrophobicContact CB-CG 4.35Å; K1113-P1184 HydrophobicContact CD-CB 4.3Å; P1184-Y1186 HydrophobicContact CB-CE2 4.02Å; P1184-Y1186 HydrophobicContact CG-CE2 3.75Å
1185	R	46.3	Very low	52.1	Low	161 Å²	161	96.4 Å²	96.4	61%	0.608	50%	0.501	S	S	*	.			trans	-88.7	137	161.2	-70.2	177.5	-173.9	-109.5	1.9	109	Q1268 G1269 I1270	R1185-Q1268 WeakPolarHBondContact CD-O 3.36Å; R1185-G1269 PolarHBondContact NE-O 3.43Å; R1185-I1270 HydrophobicContact CG-CD1 4.35Å; R1185-I1270 HydrophobicContact CG-CG1 3.52Å
1186	Y	41.5	Very low	50.4	Low	127 Å²	127	99.3 Å²	99.3	50%	0.498	52%	0.523	S	S	.	.			trans	-112.1	118.5	170	-65	-79.4	0	0	0	109.5	L1161 P1184	L1161-Y1186 HydrophobicContact CB-CE2 4.37Å; L1161-Y1186 VanDerWaalsContact CD1-OH 3.26Å; L1161-Y1186 WeakPolarHBondContact CD1-OH 3.48Å; P1184-Y1186 HydrophobicContact CB-CE2 4.02Å; P1184-Y1186 HydrophobicContact CG-CE2 3.75Å
1187	P	35.3	Very low	48.3	Very low	109 Å²	109	102.5 Å²	102.5	71%	0.708	54%	0.539	S	S	*	.			trans	-70.7	140.6	167.4	-12.7	28.5	0	0	0	110.3	E1189	P1187-E1189 PolarHBondContact O-N 3.13Å
1188	L	33.7	Very low	46.4	Very low	145 Å²	145	103.4 Å²	103.4	76%	0.759	55%	0.552	S	S	*	*			trans	-74.8	112.5	159.6	-87.2	87.3	0	0	0	108.3	S1190 W1207	L1188-S1190 PolarHBondContact O-N 3.44Å; L1188-W1207 HydrophobicContact CD1-CH2 4.44Å
1189	E	31.2	Very low	44.8	Very low	191 Å²	191	108.2 Å²	108.2	89%	0.893	57%	0.568	S	S	*	*			trans	-80.4	93.5	172.1	-71	-177.3	175.5	0	0	110.3	P1187	P1187-E1189 PolarHBondContact O-N 3.13Å
1190	S	31.4	Very low	42.8	Very low	106 Å²	106	114.3 Å²	114.3	74%	0.741	60%	0.6	S	S	*	*			trans	-154.1	73.3	155.6	42.8	0	0	0	0	110.9	L1188	L1188-S1190 PolarHBondContact O-N 3.44Å
1191	E	28.8	Very low	40.9	Very low	199 Å²	199	116.9 Å²	116.9	93%	0.93	62%	0.616	S	S	*	*			trans	-77.8	123.9	160.4	-71.6	-173.2	166.1	0	0	109.9
1192	S	33.7	Very low	39.1	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	65%	0.649	S	S	*	*			trans	-154.9	101.3	142.7	63.8	0	0	0	0	111
1193	S	31.5	Very low	37.4	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	67%	0.666	S	S	*	*			trans	49.2	127.9	152.2	55.3	0	0	0	0	120.2
1194	D	36.1	Very low	36	Very low	156 Å²	156	133 Å²	133	83%	0.834	69%	0.687	S	S	*	*			trans	68	83.9	152.2	-52.3	-21.4	0	0	0	117.8
1195	E	34.1	Very low	35	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	72%	0.716	S	S	*	*	S	Bend		-170.4	108.6	121.2	-107.3	-176.9	-155.9	0	0	114.1
1196	S	35.2	Very low	34.4	Very low	75 Å²	75	140 Å²	140	52%	0.524	72%	0.721	S	S	.	*			trans	55.9	107	158.3	64.6	0	0	0	0	119.7	T1198	S1196-T1198 PolarHBondContact O-N 3.1Å
1197	E	31.3	Very low	34	Very low	189 Å²	189	139.6 Å²	139.6	88%	0.883	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	8.3	177.8	-63.6	176.3	120.5	0	0	116.5
1198	T	38.1	Very low	34	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	0.1	-174.6	53.3	0	0	0	0	115.1	S1196	S1196-T1198 PolarHBondContact O-N 3.1Å
1199	K	36.4	Very low	34.2	Very low	154 Å²	154	132.2 Å²	132.2	67%	0.67	68%	0.675	S	S	*	*	S	Bend	trans	-101.4	-19.6	173.5	-86.8	178.7	177.3	171.1	0	114.7
1200	L	33.2	Very low	34.4	Very low	128 Å²	128	124.9 Å²	124.9	67%	0.67	64%	0.644	S	S	*	*	S	Bend	trans	-71.8	-37.2	-171.3	-156.5	69.1	0	0	0	112.9	K1202 H1203 L1204	L1200-K1202 VanDerWaalsContact C-N 3.26Å; L1200-K1202 PolarHBondContact O-N 3.2Å; L1200-H1203 PolarHBondContact O-N 3.34Å; L1200-L1204 PolarHBondContact O-N 2.95Å
1201	D	33.7	Very low	34.6	Very low	115 Å²	115	120.5 Å²	120.5	62%	0.615	61%	0.613	S	S	*	*	H	α-helix	trans	-60	-32.7	179.1	-75	-25.6	0	0	0	113.3	H1203 L1204 E1205	D1201-H1203 PolarHBondContact O-N 2.91Å; D1201-L1204 PolarHBondContact O-N 3.23Å; D1201-L1204 VanDerWaalsContact O-N 3.14Å; D1201-E1205 PolarHBondContact O-N 3.18Å
1202	K	36.9	Very low	34.9	Very low	165 Å²	165	113.9 Å²	113.9	72%	0.717	58%	0.583	S	S	*	*	H	α-helix	trans	-70.9	-15.5	177.6	-71.3	-170	174.6	-173.3	0	114.2	L1200	L1200-K1202 VanDerWaalsContact C-N 3.26Å; L1200-K1202 PolarHBondContact O-N 3.2Å
1203	H	36.1	Very low	34.9	Very low	134 Å²	134	110.8 Å²	110.8	62%	0.62	56%	0.557	S	S	*	*	H	α-helix	trans	-92	-17.4	172.4	-106.3	-93.5	0	0	0	112.6	L1200 D1201	L1200-H1203 PolarHBondContact O-N 3.34Å; D1201-H1203 PolarHBondContact O-N 2.91Å
1204	L	35.3	Very low	35.1	Very low	106 Å²	106	108.7 Å²	108.7	56%	0.555	55%	0.546	S	S	*	.	H	α-helix	trans	-80.6	-26.8	177.3	-78.4	159.6	0	0	0	112.9	L1200 D1201 K1206	L1200-L1204 PolarHBondContact O-N 2.95Å; D1201-L1204 PolarHBondContact O-N 3.23Å; D1201-L1204 VanDerWaalsContact O-N 3.14Å; L1204-K1206 PolarHBondContact O-N 2.84Å
1205	E	35	Very low	34.7	Very low	163 Å²	163	103.6 Å²	103.6	76%	0.762	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.4	171.3	-68.2	-176	144.8	0	0	114	D1201	D1201-E1205 PolarHBondContact O-N 3.18Å
1206	K	34	Very low	34.5	Very low	167 Å²	167	97.5 Å²	97.5	73%	0.726	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.4	-172.5	-145	179.9	-177.4	-174.8	0	115	L1204 N1208	L1204-K1206 PolarHBondContact O-N 2.84Å; K1206-N1208 PolarHBondContact O-N 3.08Å
1207	W	33.3	Very low	34.3	Very low	119 Å²	119	98.9 Å²	98.9	45%	0.451	50%	0.503	S	S	.	.			trans	-91.2	85.9	179.3	-62.2	79.7	0	0	0	110.5	L1188 L1245 F1286	L1188-W1207 HydrophobicContact CD1-CH2 4.44Å; W1207-L1245 WeakPolarHBondContact O-CD1 3.3Å; W1207-F1286 HydrophobicContact CE3-CD1 4.24Å; W1207-F1286 AromaticContact CE3-CE1 3.49Å; W1207-F1286 HydrophobicContact CE3-CE1 3.49Å; W1207-F1286 VanDerWaalsContact CE3-CE1 3.49Å; W1207-F1286 HydrophobicContact CE3-CZ 4.08Å; W1207-F1286 AromaticContact CZ3-CD1 3.85Å; W1207-F1286 HydrophobicContact CZ3-CD1 3.85Å; W1207-F1286 AromaticContact CZ3-CE1 3.42Å; W1207-F1286 HydrophobicContact CZ3-CE1 3.42Å; W1207-F1286 VanDerWaalsContact CZ3-CE1 3.42Å; W1207-F1286 HydrophobicContact CZ3-CZ 4.42Å
1208	N	35	Very low	34.1	Very low	91 Å²	91	94.8 Å²	94.8	49%	0.487	50%	0.496	S	S	.	.			trans	-90.2	117.7	170.2	-74.5	11.2	0	0	0	109.5	K1206 S1210 E1242	K1206-N1208 PolarHBondContact O-N 3.08Å; N1208-S1210 PolarHBondContact O-N 2.9Å; N1208-E1242 PolarHBondContact ND2-OE1 3.49Å
1209	L	37.4	Very low	33.7	Very low	9 Å²	9	91 Å²	91	5%	0.047	47%	0.472	C	S	.	.			trans	-85.9	92.5	172.3	-165.8	155.7	0	0	0	108.3	V1183 L1211 L1245 I1270 I1283 F1286	V1183-L1209 HydrophobicContact CG2-CD1 4.46Å; L1209-L1211 HydrophobicContact CD2-CD1 3.52Å; L1209-L1211 HydrophobicContact CD2-CG 4.49Å; L1209-L1211 PolarHBondContact O-N 3.2Å; L1209-L1211 VanDerWaalsContact O-N 3.16Å; L1209-L1245 HydrophobicContact CB-CD2 3.62Å; L1209-L1245 HydrophobicContact CB-CG 4.18Å; L1209-L1245 HydrophobicContact CD1-CD2 4.1Å; L1209-L1245 HydrophobicContact CG-CD2 4.46Å; L1209-I1270 HydrophobicContact CD1-CB 4.37Å; L1209-I1270 HydrophobicContact CD1-CD1 4.22Å; L1209-I1270 HydrophobicContact CD1-CG2 3.79Å; L1209-I1283 HydrophobicContact CD2-CD1 4.21Å; L1209-I1283 HydrophobicContact CD2-CG1 4.28Å; L1209-I1283 HydrophobicContact CD2-CG2 3.92Å; L1209-I1283 HydrophobicContact CG-CG2 4.27Å; L1209-F1286 HydrophobicContact CD1-CE2 4.02Å; L1209-F1286 HydrophobicContact CG-CE2 4.15Å
1210	S	35.1	Very low	33.3	Very low	36 Å²	36	88.2 Å²	88.2	25%	0.252	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	104.7	-174.9	-59	0	0	0	0	111.1	N1208 L1212 D1284	N1208-S1210 PolarHBondContact O-N 2.9Å; S1210-L1212 PolarHBondContact O-N 3.22Å; S1210-D1284 PolarHBondContact O-N 3.5Å
1211	L	35.8	Very low	33	Very low	15 Å²	15	84.8 Å²	84.8	8%	0.079	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.3	165.3	-88.9	96	0	0	0	109.8	L1209 H1213 I1243 I1274 I1281 I1283	L1209-L1211 HydrophobicContact CD2-CD1 3.52Å; L1209-L1211 HydrophobicContact CD2-CG 4.49Å; L1209-L1211 PolarHBondContact O-N 3.2Å; L1209-L1211 VanDerWaalsContact O-N 3.16Å; L1211-H1213 PolarHBondContact O-N 2.67Å; L1211-I1243 HydrophobicContact CB-CG1 4.31Å; L1211-I1243 HydrophobicContact CD1-CB 4.11Å; L1211-I1243 HydrophobicContact CD1-CD1 4.24Å; L1211-I1243 HydrophobicContact CD1-CG1 4.23Å; L1211-I1243 HydrophobicContact CD2-CD1 3.81Å; L1211-I1243 HydrophobicContact CD2-CG1 4.44Å; L1211-I1243 HydrophobicContact CG-CD1 4.42Å; L1211-I1274 HydrophobicContact CD2-CG1 3.99Å; L1211-I1281 HydrophobicContact CD2-CD1 3.91Å; L1211-I1281 HydrophobicContact CD2-CG1 4.2Å; L1211-I1281 HydrophobicContact CD2-CG2 3.58Å; L1211-I1281 HydrophobicContact CG-CG2 4Å; L1211-I1283 HydrophobicContact CG-CG1 4.4Å
1212	L	35.8	Very low	32.8	Very low	59 Å²	59	84.6 Å²	84.6	31%	0.309	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	104.9	166.2	-161.6	91.6	0	0	0	108.5	S1210 W1240 L1282	S1210-L1212 PolarHBondContact O-N 3.22Å; L1212-W1240 HydrophobicContact CD1-CE3 4.27Å; L1212-W1240 HydrophobicContact CD1-CH2 4.47Å; L1212-W1240 HydrophobicContact CD1-CZ3 3.62Å; L1212-W1240 HydrophobicContact CG-CZ3 4.49Å; L1212-L1282 WeakPolarHBondContact CA-O 3.21Å; L1212-L1282 HydrophobicContact CB-CB 3.97Å; L1212-L1282 WeakPolarHBondContact CB-O 3.47Å; L1212-L1282 HydrophobicContact CD2-CB 3.92Å; L1212-L1282 HydrophobicContact CD2-CD2 3.96Å; L1212-L1282 PolarHBondContact N-O 3.27Å; L1212-L1282 PolarHBondContact O-N 3.23Å
1213	H	33.6	Very low	32.4	Very low	43 Å²	43	81.8 Å²	81.8	20%	0.199	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.9	170.3	-171.1	-130.5	0	0	0	109.3	L1211 S1215 S1277 H1278	L1211-H1213 PolarHBondContact O-N 2.67Å; H1213-S1215 VanDerWaalsContact CE1-CB 3.43Å; H1213-S1215 WeakPolarHBondContact CE1-CB 3.47Å; H1213-S1215 PolarHBondContact CE1-OG 2.79Å; H1213-S1215 WeakPolarHBondContact ND1-CB 3.05Å; H1213-S1215 PolarHBondContact ND1-OG 3.29Å; H1213-S1215 PolarHBondContact O-N 2.94Å; H1213-S1277 VanDerWaalsContact NE2-CA 3.32Å; H1213-S1277 WeakPolarHBondContact NE2-CA 3.47Å; H1213-H1278 PolarHBondContact NE2-N 2.88Å; H1213-H1278 VanDerWaalsContact NE2-N 3.12Å; H1213-H1278 PolarHBondContact NE2-O 3.43Å
1214	A	35.2	Very low	32	Very low	59 Å²	59	82.7 Å²	82.7	49%	0.488	47%	0.47	S	S	.	.			trans	-74.3	36.2	174.8	0	0	0	0	0	113.8	A1216 S1280	A1214-A1216 PolarHBondContact O-N 3.1Å; A1214-S1280 VanDerWaalsContact CB-O 3.29Å; A1214-S1280 WeakPolarHBondContact CB-O 3.43Å; A1214-S1280 PolarHBondContact N-O 3.06Å
1215	S	28	Very low	31.9	Very low	49 Å²	49	85 Å²	85	34%	0.343	48%	0.484	S	S	.	.			trans	-80.8	102.4	163.3	60.7	0	0	0	0	109.5	H1213	H1213-S1215 VanDerWaalsContact CE1-CB 3.43Å; H1213-S1215 WeakPolarHBondContact CE1-CB 3.47Å; H1213-S1215 PolarHBondContact CE1-OG 2.79Å; H1213-S1215 WeakPolarHBondContact ND1-CB 3.05Å; H1213-S1215 PolarHBondContact ND1-OG 3.29Å; H1213-S1215 PolarHBondContact O-N 2.94Å
1216	A	29.7	Very low	31.6	Very low	53 Å²	53	85.2 Å²	85.2	44%	0.438	49%	0.49	S	S	.	.			trans	160.9	66.5	138.9	0	0	0	0	0	111.4	A1214 T1238	A1214-A1216 PolarHBondContact O-N 3.1Å; A1216-T1238 HydrophobicContact CB-CG2 3.93Å; A1216-T1238 WeakPolarHBondContact CB-OG1 3.26Å
1217	I	31.2	Very low	31.4	Very low	104 Å²	104	81.8 Å²	81.8	53%	0.533	49%	0.487	S	S	.	.			trans	-134.9	72.5	136.3	-40.1	173.4	0	0	0	108.8	Q531	Q531-I1217 HydrophobicContact CB-CD1 3.91Å; Q531-I1217 HydrophobicContact CG-CD1 4.36Å; Q531-I1217 HydrophobicContact CG-CG2 4.24Å; Q531-I1217 VanDerWaalsContact OE1-CG2 3.29Å
1218	S	27.1	Very low	31.2	Very low	104 Å²	104	84.1 Å²	84.1	73%	0.727	51%	0.508	S	S	*	.			trans	-67.6	127.8	171.3	-57.5	0	0	0	0	110.7
1219	T	29.9	Very low	31	Very low	38 Å²	38	85.3 Å²	85.3	23%	0.233	52%	0.52	C	S	.	.				-165.9	87.6	113.4	20	0	0	0	0	110.2	Y545 S546	Y545-T1219 PolarHBondContact O-OG1 2.78Å; S546-T1219 WeakPolarHBondContact CA-OG1 3.3Å; S546-T1219 WeakPolarHBondContact CB-O 3.46Å; S546-T1219 VanDerWaalsContact CB-OG1 3.23Å; S546-T1219 WeakPolarHBondContact CB-OG1 3.49Å; S546-T1219 PolarHBondContact N-O 2.61Å; S546-T1219 PolarHBondContact N-OG1 3.17Å; S546-T1219 VanDerWaalsContact N-OG1 3.07Å; S546-T1219 PolarHBondContact OG-O 3.28Å
1220	S	28.6	Very low	30.6	Very low	95 Å²	95	96.9 Å²	96.9	66%	0.664	56%	0.563	S	S	*	*			trans	29.4	131.5	132.6	56.9	0	0	0	0	120
1221	T	26.7	Very low	30.3	Very low	57 Å²	57	100.8 Å²	100.8	35%	0.35	59%	0.586	S	S	.	*			trans	-153.1	138.3	161.1	51.6	0	0	0	0	108.9	S581 I582	S581-T1221 VanDerWaalsContact CB-CG2 3.45Å; S581-T1221 WeakPolarHBondContact CB-OG1 3.42Å; S581-T1221 VanDerWaalsContact OG-CB 3.24Å; S581-T1221 WeakPolarHBondContact OG-CB 3.25Å; S581-T1221 VanDerWaalsContact OG-CG2 3.24Å; S581-T1221 WeakPolarHBondContact OG-CG2 3.4Å; S581-T1221 PolarHBondContact OG-OG1 3.21Å; I582-T1221 WeakPolarHBondContact O-CG2 3.29Å
1222	S	28.6	Very low	29.9	Very low	110 Å²	110	105.7 Å²	105.7	77%	0.769	62%	0.621	S	S	*	*	S	Bend	trans	67	130.1	-166.6	-135.8	0	0	0	0	112.9
1223	T	29.1	Very low	29.6	Very low	107 Å²	107	114.5 Å²	114.5	66%	0.656	65%	0.65	S	S	*	*			cis	-158.7	145.4	-17.7	3.2	0	0	0	0	105.9
1224	D	28.4	Very low	29.3	Very low	152 Å²	152	116.6 Å²	116.6	81%	0.813	67%	0.67	S	S	*	*			trans	41	94.6	155.2	-47.1	-32.2	0	0	0	119.9
1225	D	32.1	Very low	29	Very low	155 Å²	155	121.2 Å²	121.2	83%	0.829	69%	0.686	S	S	*	*				-156.9	123.9	127.5	-151.5	-11.6	0	0	0	110.8
1226	D	28.7	Very low	29.1	Very low	168 Å²	168	124.8 Å²	124.8	90%	0.898	70%	0.698	S	S	*	*			trans	-124.5	66.8	-164.8	-133.6	-8.1	0	0	0	111.1
1227	S	29.6	Very low	29.2	Very low	95 Å²	95	128 Å²	128	66%	0.664	71%	0.713	S	S	*	*			trans	-154.9	103.5	163.9	59.6	0	0	0	0	114.1
1228	L	30.2	Very low	29.1	Very low	168 Å²	168	126.7 Å²	126.7	88%	0.88	71%	0.711	S	S	*	*			trans	172.3	143.8	142	-94	167.2	0	0	0	110.6
1229	P	30.8	Very low	29.3	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	71%	0.71	S	S	*	*			trans	-78	129.9	-173.5	-10	26.5	0	0	0	112.9	T1231	P1229-T1231 PolarHBondContact O-N 2.85Å
1230	R	28.2	Very low	29.5	Very low	252 Å²	252	135.5 Å²	135.5	95%	0.951	73%	0.728	S	S	*	*			trans	-73.3	104.9	173.8	-68.5	-174.7	-178.7	-163.6	1	111.5
1231	T	29.7	Very low	29.7	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	73%	0.728	S	S	*	*			trans	-91.8	136.2	160.9	46.2	0	0	0	0	110.7	P1229	P1229-T1231 PolarHBondContact O-N 2.85Å
1232	S	27.2	Very low	30	Very low	117 Å²	117	140.7 Å²	140.7	82%	0.818	74%	0.738	S	S	*	*			trans	31.5	96.6	161.3	56.1	0	0	0	0	118.2
1233	R	28.1	Very low	30.4	Very low	245 Å²	245	137.5 Å²	137.5	93%	0.925	71%	0.712	S	S	*	*			trans	-120.8	124.7	151	-77.4	-170.5	173.9	-175.8	-1.7	109.7
1234	S	28.8	Very low	30.8	Very low	87 Å²	87	137.7 Å²	137.7	61%	0.608	72%	0.715	S	S	*	*			trans	-71.3	152.3	176.8	40.7	0	0	0	0	111.2	E1236	S1234-E1236 PolarHBondContact O-N 2.96Å
1235	N	29.4	Very low	31.3	Very low	156 Å²	156	133.4 Å²	133.4	83%	0.834	69%	0.692	S	S	*	*			trans	-76.4	61.4	164.3	-75.1	-11.4	0	0	0	110
1236	E	29.9	Very low	31.6	Very low	124 Å²	124	129.4 Å²	129.4	58%	0.579	68%	0.676	S	S	*	*			trans	-85.8	137.9	163.5	-74	-173.7	-179.3	0	0	109.3	S1234	S1234-E1236 PolarHBondContact O-N 2.96Å
1237	P	30.9	Very low	31.8	Very low	119 Å²	119	125.2 Å²	125.2	77%	0.773	67%	0.665	S	S	*	*			trans	-59.6	147	170.2	27.8	-34.3	0	0	0	109.6	K1239	P1237-K1239 PolarHBondContact O-N 3.38Å
1238	T	29.3	Very low	31.7	Very low	77 Å²	77	128.5 Å²	128.5	47%	0.472	67%	0.667	S	S	.	*			trans	-52.5	116	-168.6	-18.8	0	0	0	0	111.8	A1216 W1240	A1216-T1238 HydrophobicContact CB-CG2 3.93Å; A1216-T1238 WeakPolarHBondContact CB-OG1 3.26Å; T1238-W1240 PolarHBondContact O-N 3.5Å; T1238-W1240 VanDerWaalsContact O-N 3.1Å
1239	K	31.1	Very low	31.5	Very low	163 Å²	163	126.2 Å²	126.2	71%	0.709	66%	0.663	S	S	*	*			trans	-70.4	109.6	-177.7	-160.4	169.6	-171.1	167.7	0	109.2	P1237 H1241	P1237-K1239 PolarHBondContact O-N 3.38Å; K1239-H1241 PolarHBondContact O-N 2.74Å
1240	W	33.5	Very low	31.2	Very low	164 Å²	164	127.5 Å²	127.5	62%	0.621	66%	0.659	S	S	*	*			trans	-54.8	131.2	-179.3	-51.9	95	0	0	0	111.3	I1082 L1212 T1238	I1082-W1240 HydrophobicContact CG2-CH2 3.67Å; I1082-W1240 HydrophobicContact CG2-CZ2 3.41Å; I1082-W1240 VanDerWaalsContact CG2-CZ2 3.41Å; I1082-W1240 HydrophobicContact CG2-CZ3 4.44Å; L1212-W1240 HydrophobicContact CD1-CE3 4.27Å; L1212-W1240 HydrophobicContact CD1-CH2 4.47Å; L1212-W1240 HydrophobicContact CD1-CZ3 3.62Å; L1212-W1240 HydrophobicContact CG-CZ3 4.49Å; T1238-W1240 PolarHBondContact O-N 3.5Å; T1238-W1240 VanDerWaalsContact O-N 3.1Å
1241	H	33.3	Very low	31.1	Very low	143 Å²	143	121 Å²	121	66%	0.662	65%	0.653	S	S	*	*			trans	-102.6	95.4	175.1	-79.9	-71.7	0	0	0	110.2	K1239 I1243	K1239-H1241 PolarHBondContact O-N 2.74Å; H1241-I1243 PolarHBondContact O-N 3.25Å
1242	E	33.3	Very low	30.8	Very low	119 Å²	119	120 Å²	120	56%	0.556	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-63.8	128.5	161.3	-69.8	-175.5	132.5	0	0	109	N1208 P1244	N1208-E1242 PolarHBondContact ND2-OE1 3.49Å; E1242-P1244 WeakPolarHBondContact O-CD 3.38Å
1243	I	37.9	Very low	30.9	Very low	42 Å²	42	121.2 Å²	121.2	22%	0.215	65%	0.653	C	S	.	*	P	Polyproline II helix	trans	-85.1	118.6	167.1	-57.4	-164.4	0	0	0	107.5	L1211 H1241 L1245	L1211-I1243 HydrophobicContact CB-CG1 4.31Å; L1211-I1243 HydrophobicContact CD1-CB 4.11Å; L1211-I1243 HydrophobicContact CD1-CD1 4.24Å; L1211-I1243 HydrophobicContact CD1-CG1 4.23Å; L1211-I1243 HydrophobicContact CD2-CD1 3.81Å; L1211-I1243 HydrophobicContact CD2-CG1 4.44Å; L1211-I1243 HydrophobicContact CG-CD1 4.42Å; H1241-I1243 PolarHBondContact O-N 3.25Å; I1243-L1245 PolarHBondContact O-N 3.45Å
1244	P	36.9	Very low	30.9	Very low	112 Å²	112	118.5 Å²	118.5	73%	0.727	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-63.1	130.3	177.9	25.5	-33.3	0	0	0	110.2	E1242 S1246	E1242-P1244 WeakPolarHBondContact O-CD 3.38Å; P1244-S1246 PolarHBondContact O-N 2.89Å
1245	L	38.2	Very low	30.7	Very low	62 Å²	62	121.2 Å²	121.2	33%	0.325	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-54.3	138.6	172.7	-77.2	-178.3	0	0	0	110.5	W1207 L1209 I1243 A1247 I1270	W1207-L1245 WeakPolarHBondContact O-CD1 3.3Å; L1209-L1245 HydrophobicContact CB-CD2 3.62Å; L1209-L1245 HydrophobicContact CB-CG 4.18Å; L1209-L1245 HydrophobicContact CD1-CD2 4.1Å; L1209-L1245 HydrophobicContact CG-CD2 4.46Å; I1243-L1245 PolarHBondContact O-N 3.45Å; L1245-A1247 PolarHBondContact O-N 3.5Å; L1245-I1270 HydrophobicContact CD2-CG2 3.51Å
1246	S	38.2	Very low	30.8	Very low	71 Å²	71	121.9 Å²	121.9	50%	0.497	65%	0.653	S	S	.	*			trans	-73.7	54.2	177	59.4	0	0	0	0	112.5	P1244 K1248 L1271	P1244-S1246 PolarHBondContact O-N 2.89Å; S1246-K1248 VanDerWaalsContact C-N 3.25Å; S1246-K1248 PolarHBondContact O-N 3.01Å; S1246-L1271 PolarHBondContact OG-O 3.45Å
1247	A	32.6	Very low	30.8	Very low	80 Å²	80	121.7 Å²	121.7	66%	0.661	66%	0.661	S	S	*	*			trans	-77.2	67.9	179.6	0	0	0	0	0	111.9	L1245	L1245-A1247 PolarHBondContact O-N 3.5Å
1248	K	29	Very low	30.9	Very low	164 Å²	164	122.7 Å²	122.7	71%	0.713	66%	0.66	S	S	*	*			trans	-174.3	101.2	155.3	-102	146.7	-169.8	168.6	0	112	S1246 Q1250	S1246-K1248 VanDerWaalsContact C-N 3.25Å; S1246-K1248 PolarHBondContact O-N 3.01Å; K1248-Q1250 HydrophobicContact CB-CG 4.08Å; K1248-Q1250 HydrophobicContact CD-CG 4.41Å; K1248-Q1250 HydrophobicContact CG-CG 4.02Å; K1248-Q1250 PolarHBondContact O-N 3.47Å
1249	C	24	Very low	30.8	Very low	119 Å²	119	124.2 Å²	124.2	80%	0.804	67%	0.673	S	S	*	*			trans	-68.1	84.4	143.8	-82.7	0	0	0	0	108.1	S1251	C1249-S1251 PolarHBondContact O-N 2.97Å
1250	Q	25.2	Very low	30.8	Very low	144 Å²	144	125.9 Å²	125.9	67%	0.673	68%	0.684	S	S	*	*			trans	-74.8	74	167.2	-92.4	177.8	-16.3	0	0	109.9	K1248 S1252	K1248-Q1250 HydrophobicContact CB-CG 4.08Å; K1248-Q1250 HydrophobicContact CD-CG 4.41Å; K1248-Q1250 HydrophobicContact CG-CG 4.02Å; K1248-Q1250 PolarHBondContact O-N 3.47Å; Q1250-S1252 PolarHBondContact O-N 3.26Å
1251	S	25.4	Very low	30.4	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	70%	0.699	S	S	*	*			trans	-75.7	73.9	158.7	59.6	0	0	0	0	109.1	C1249	C1249-S1251 PolarHBondContact O-N 2.97Å
1252	S	24.8	Very low	30.2	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	71%	0.709	S	S	*	*			trans	-113.8	55	171.6	62.7	0	0	0	0	110.9	Q1250	Q1250-S1252 PolarHBondContact O-N 3.26Å
1253	V	28.3	Very low	29.9	Very low	143 Å²	143	134.6 Å²	134.6	87%	0.867	73%	0.725	S	S	*	*			trans	-95	126.2	154.7	-179.8	0	0	0	0	106.4
1254	K	28.5	Very low	29.4	Very low	187 Å²	187	141.4 Å²	141.4	81%	0.813	76%	0.755	S	S	*	*			trans	-62.3	152	-174.1	-66.5	169.7	179.1	174.5	0	111.2
1255	N	25.6	Very low	29	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	75%	0.752	S	S	*	*			trans	-2.8	138	144	-42.1	-16.8	0	0	0	114.4
1256	E	30.6	Very low	28.9	Very low	169 Å²	169	145.4 Å²	145.4	79%	0.79	78%	0.776	S	S	*	*				-157.3	146.3	52.2	-80.6	-179.6	160	0	0	114.8
1257	T	31.1	Very low	28.9	Very low	120 Å²	120	147.1 Å²	147.1	74%	0.736	78%	0.78	S	S	*	*			trans	71.7	131.7	150	57.8	0	0	0	0	122.7
1258	N	31	Very low	29.8	Very low	141 Å²	141	150.7 Å²	150.7	75%	0.754	78%	0.783	S	S	*	*			trans	82.8	81.8	147.4	-62.3	-20.3	0	0	0	121.2
1259	S	28.6	Very low	30.7	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	76%	0.758	S	S	*	*				67.2	80.3	114.4	-57.2	0	0	0	0	119.9
1260	Q	30.6	Very low	32.1	Very low	198 Å²	198	138.8 Å²	138.8	93%	0.925	72%	0.724	S	S	*	*			trans	-151.8	136.2	134.5	-111.8	170.9	22.3	0	0	111.3	Q1262	Q1260-Q1262 PolarHBondContact O-N 2.72Å
1261	K	26.1	Very low	33.4	Very low	218 Å²	218	135.1 Å²	135.1	95%	0.948	71%	0.708	S	S	*	*			trans	-72.5	117.7	-176.7	-70.6	175.6	175	177.2	0	111
1262	Q	27.6	Very low	34.9	Very low	183 Å²	183	130 Å²	130	86%	0.855	67%	0.673	S	S	*	*			trans	-116.8	136.5	156.5	-72.9	-169.6	-5.6	0	0	109.8	Q1260 H1264	Q1260-Q1262 PolarHBondContact O-N 2.72Å; Q1262-H1264 PolarHBondContact O-N 3.4Å
1263	K	26.7	Very low	36.4	Very low	208 Å²	208	128 Å²	128	90%	0.904	66%	0.656	S	S	*	*			trans	-69	125.5	173	-78.8	-179.9	169.6	-176.7	0	108.8	N1265	K1263-N1265 PolarHBondContact O-N 2.88Å
1264	H	28.4	Very low	37.7	Very low	184 Å²	184	121.3 Å²	121.3	85%	0.852	62%	0.615	S	S	*	*			trans	-60.6	125.9	164.6	-87.4	-94.7	0	0	0	109.3	Q1262	Q1262-H1264 PolarHBondContact O-N 3.4Å
1265	N	29.4	Very low	38.8	Very low	121 Å²	121	118.5 Å²	118.5	65%	0.647	60%	0.603	S	S	*	*			trans	-94.9	98.8	-176.1	-162.3	1.4	0	0	0	108.6	K1263 N1267	K1263-N1265 PolarHBondContact O-N 2.88Å; N1265-N1267 PolarHBondContact O-N 2.99Å; N1265-N1267 PolarHBondContact OD1-ND2 2.97Å
1266	T	36.2	Very low	39.9	Very low	137 Å²	137	118.6 Å²	118.6	84%	0.84	60%	0.604	S	S	*	*			trans	-71	28.3	-173.8	44.8	0	0	0	0	114.6
1267	N	37.9	Very low	40.6	Very low	108 Å²	108	111.1 Å²	111.1	58%	0.578	57%	0.57	S	S	*	*			trans	-107.1	11.1	-170.1	-84.3	-62.3	0	0	0	114.6	N1265	N1265-N1267 PolarHBondContact O-N 2.99Å; N1265-N1267 PolarHBondContact OD1-ND2 2.97Å
1268	Q	50	Low	41.3	Very low	154 Å²	154	110.4 Å²	110.4	72%	0.72	56%	0.558	S	S	*	*			trans	-80.8	126.5	177.8	-71.6	-179.6	-24.4	0	0	111	R1185	R1185-Q1268 WeakPolarHBondContact CD-O 3.36Å
1269	G	49.4	Very low	42.1	Very low	19 Å²	19	104.8 Å²	104.8	20%	0.196	53%	0.528	C	S	.	.			trans	-68	-170.3	-179.6	0	0	0	0	0	114.5	V1183 R1185	V1183-G1269 CarbonylContact O-C 3.57Å; V1183-G1269 WeakPolarHBondContact O-CA 3.38Å; R1185-G1269 PolarHBondContact NE-O 3.43Å
1270	I	52.5	Low	42.5	Very low	15 Å²	15	101.5 Å²	101.5	8%	0.077	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.7	164.3	-47	179.6	0	0	0	107.2	T1182 V1183 R1185 L1209 L1245 F1286	T1182-I1270 WeakPolarHBondContact CA-O 3.49Å; V1183-I1270 HydrophobicContact CG2-CB 3.78Å; V1183-I1270 HydrophobicContact CG2-CD1 4.44Å; V1183-I1270 HydrophobicContact CG2-CG1 4.29Å; V1183-I1270 PolarHBondContact N-O 3.27Å; V1183-I1270 PolarHBondContact O-N 2.9Å; R1185-I1270 HydrophobicContact CG-CD1 4.35Å; R1185-I1270 HydrophobicContact CG-CG1 3.52Å; L1209-I1270 HydrophobicContact CD1-CB 4.37Å; L1209-I1270 HydrophobicContact CD1-CD1 4.22Å; L1209-I1270 HydrophobicContact CD1-CG2 3.79Å; L1245-I1270 HydrophobicContact CD2-CG2 3.51Å; I1270-F1286 HydrophobicContact CD1-CE1 4.26Å; I1270-F1286 HydrophobicContact CD1-CE2 4.24Å; I1270-F1286 HydrophobicContact CD1-CZ 3.51Å
1271	L	51.8	Low	42.9	Very low	66 Å²	66	92.3 Å²	92.3	35%	0.346	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.1	176.3	-176.9	73.3	0	0	0	109.3	E1180 S1246	E1180-L1271 HydrophobicContact CB-CD1 4.25Å; S1246-L1271 PolarHBondContact OG-O 3.45Å
1272	S	57.4	Low	43.4	Very low	10 Å²	10	84.3 Å²	84.3	7%	0.07	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.9	169.5	-170.2	0	0	0	0	110.4	L1181	L1181-S1272 PolarHBondContact N-O 3.46Å; L1181-S1272 PolarHBondContact O-N 2.91Å
1273	V	56	Low	43.8	Very low	52 Å²	52	75.9 Å²	75.9	32%	0.315	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.7	179.1	178.4	0	0	0	0	107.9	P1178 K1275	P1178-V1273 HydrophobicContact CB-CG1 3.65Å; V1273-K1275 HydrophobicContact CG1-CG 4.42Å
1274	I	56.1	Low	44	Very low	4 Å²	4	68.7 Å²	68.7	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.9	-174.9	-63.4	155.8	0	0	0	108.4	P1178 V1179 L1181 L1211 S1277 I1281	P1178-I1274 CarbonylContact C-O 3.52Å; P1178-I1274 WeakPolarHBondContact CA-O 3.46Å; P1178-I1274 WeakPolarHBondContact CB-O 3.26Å; V1179-I1274 PolarHBondContact N-O 3.29Å; V1179-I1274 VanDerWaalsContact N-O 3.08Å; V1179-I1274 PolarHBondContact O-N 3.35Å; L1181-I1274 HydrophobicContact CB-CD1 4.18Å; L1211-I1274 HydrophobicContact CD2-CG1 3.99Å; I1274-S1277 WeakPolarHBondContact CG2-OG 3.45Å; I1274-I1281 HydrophobicContact CB-CD1 4.37Å; I1274-I1281 HydrophobicContact CD1-CD1 3.58Å; I1274-I1281 HydrophobicContact CG1-CD1 3.83Å; I1274-I1281 HydrophobicContact CG2-CD1 3.61Å
1275	K	51.2	Low	44.2	Very low	128 Å²	128	66.5 Å²	66.5	56%	0.557	35%	0.351	S	S	*	.			trans	-114.9	152.9	176.4	-57.6	-165	175.2	-176.6	0	110.8	P1178 V1273 S1277	P1178-K1275 HydrophobicContact CB-CG 4.01Å; P1178-K1275 HydrophobicContact CG-CD 4.31Å; P1178-K1275 HydrophobicContact CG-CG 3.87Å; V1273-K1275 HydrophobicContact CG1-CG 4.42Å; K1275-S1277 PolarHBondContact O-N 3.21Å; K1275-S1277 PolarHBondContact O-OG 3.24Å
1276	D	48.7	Very low	44.2	Very low	147 Å²	147	67.1 Å²	67.1	79%	0.786	35%	0.348	S	S	*	.	S	Bend	trans	49.5	38.8	163.2	-45.9	-38.9	0	0	0	114.8
1277	S	45.7	Very low	44.6	Very low	11 Å²	11	63.6 Å²	63.6	8%	0.077	32%	0.324	C	S	.	.			trans	-112.8	125.9	-168.7	-62.4	0	0	0	0	112.9	H1213 I1274 K1275	H1213-S1277 VanDerWaalsContact NE2-CA 3.32Å; H1213-S1277 WeakPolarHBondContact NE2-CA 3.47Å; I1274-S1277 WeakPolarHBondContact CG2-OG 3.45Å; K1275-S1277 PolarHBondContact O-N 3.21Å; K1275-S1277 PolarHBondContact O-OG 3.24Å
1278	H	46.2	Very low	45	Very low	106 Å²	106	61.3 Å²	61.3	49%	0.491	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-88.4	120.6	164.8	-68.9	-72.1	0	0	0	108.6	T1174 H1213 S1280	T1174-H1278 PolarHBondContact OG1-CE1 3.39Å; T1174-H1278 PolarHBondContact OG1-ND1 3.45Å; T1174-H1278 VanDerWaalsContact OG1-ND1 3.12Å; H1213-H1278 PolarHBondContact NE2-N 2.88Å; H1213-H1278 VanDerWaalsContact NE2-N 3.12Å; H1213-H1278 PolarHBondContact NE2-O 3.43Å; H1278-S1280 PolarHBondContact O-N 2.89Å
1279	I	46.8	Very low	44.7	Very low	22 Å²	22	56.1 Å²	56.1	11%	0.113	29%	0.288	C	S	.	.	S	Bend	trans	-81.6	113.4	-152.1	-59.2	118.4	0	0	0	114.2	V1166 C1168 L1173 F1175	V1166-I1279 WeakPolarHBondContact O-CG2 3.44Å; C1168-I1279 HydrophobicContact CB-CB 4.44Å; C1168-I1279 HydrophobicContact CB-CD1 3.9Å; C1168-I1279 HydrophobicContact CB-CG1 4.38Å; C1168-I1279 HydrophobicContact CB-CG2 4.16Å; L1173-I1279 HydrophobicContact CB-CD1 4.43Å; L1173-I1279 WeakPolarHBondContact O-CD1 3.49Å; F1175-I1279 HydrophobicContact CD2-CD1 3.53Å; F1175-I1279 HydrophobicContact CD2-CG1 3.94Å; F1175-I1279 HydrophobicContact CE2-CD1 3.46Å; F1175-I1279 VanDerWaalsContact CE2-CD1 3.46Å; F1175-I1279 HydrophobicContact CE2-CG1 3.79Å; F1175-I1279 HydrophobicContact CG-CD1 4.21Å; F1175-I1279 HydrophobicContact CZ-CD1 4.11Å
1280	S	37.1	Very low	44.4	Very low	41 Å²	41	58.3 Å²	58.3	29%	0.287	29%	0.293	S	S	.	.				-145.2	125.3	115.6	-65.6	0	0	0	0	108.2	A1214 H1278	A1214-S1280 VanDerWaalsContact CB-O 3.29Å; A1214-S1280 WeakPolarHBondContact CB-O 3.43Å; A1214-S1280 PolarHBondContact N-O 3.06Å; H1278-S1280 PolarHBondContact O-N 2.89Å
1281	I	40.8	Very low	43.9	Very low	4 Å²	4	61 Å²	61	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110	178.4	-68.4	165.2	0	0	0	107.9	M1165 L1211 I1274 I1283	M1165-I1281 WeakPolarHBondContact CG-O 3.19Å; L1211-I1281 HydrophobicContact CD2-CD1 3.91Å; L1211-I1281 HydrophobicContact CD2-CG1 4.2Å; L1211-I1281 HydrophobicContact CD2-CG2 3.58Å; L1211-I1281 HydrophobicContact CG-CG2 4Å; I1274-I1281 HydrophobicContact CB-CD1 4.37Å; I1274-I1281 HydrophobicContact CD1-CD1 3.58Å; I1274-I1281 HydrophobicContact CG1-CD1 3.83Å; I1274-I1281 HydrophobicContact CG2-CD1 3.61Å; I1281-I1283 HydrophobicContact CG2-CG1 4.1Å
1282	L	36.3	Very low	43.4	Very low	50 Å²	50	60.7 Å²	60.7	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.3	158.9	-170.5	80.9	0	0	0	106.4	L1212 D1284	L1212-L1282 WeakPolarHBondContact CA-O 3.21Å; L1212-L1282 HydrophobicContact CB-CB 3.97Å; L1212-L1282 WeakPolarHBondContact CB-O 3.47Å; L1212-L1282 HydrophobicContact CD2-CB 3.92Å; L1212-L1282 HydrophobicContact CD2-CD2 3.96Å; L1212-L1282 PolarHBondContact N-O 3.27Å; L1212-L1282 PolarHBondContact O-N 3.23Å; L1282-D1284 HydrophobicContact CD2-CB 4.49Å
1283	I	35.1	Very low	42.4	Very low	7 Å²	7	64.3 Å²	64.3	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.9	163.2	-60.8	163.1	0	0	0	104.8	S1163 P1164 L1181 L1209 L1211 I1281	S1163-I1283 WeakPolarHBondContact CB-O 3.48Å; S1163-I1283 VanDerWaalsContact OG-C 3.31Å; S1163-I1283 PolarHBondContact OG-O 3.21Å; P1164-I1283 HydrophobicContact CG-CD1 4.28Å; L1181-I1283 HydrophobicContact CD2-CD1 3.87Å; L1209-I1283 HydrophobicContact CD2-CD1 4.21Å; L1209-I1283 HydrophobicContact CD2-CG1 4.28Å; L1209-I1283 HydrophobicContact CD2-CG2 3.92Å; L1209-I1283 HydrophobicContact CG-CG2 4.27Å; L1211-I1283 HydrophobicContact CG-CG1 4.4Å; I1281-I1283 HydrophobicContact CG2-CG1 4.1Å
1284	D	31.6	Very low	41.3	Very low	57 Å²	57	65.2 Å²	65.2	31%	0.305	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.8	172.1	-140.7	5	0	0	0	108.3	R1090 S1210 L1282	R1090-D1284 IonicContact NH1-OD1 3.92Å; R1090-D1284 PolarHBondContact NH1-OD1 3.18Å; R1090-D1284 IonicContact NH2-OD1 3.6Å; S1210-D1284 PolarHBondContact O-N 3.5Å; L1282-D1284 HydrophobicContact CD2-CB 4.49Å
1285	H	31.7	Very low	40.1	Very low	138 Å²	138	70.3 Å²	70.3	64%	0.639	35%	0.346	S	S	*	.			trans	70.1	92.4	-161.4	-56.8	-68.8	0	0	0	116.3
1286	F	30.1	Very low	39.1	Very low	133 Å²	133	65.1 Å²	65.1	58%	0.583	33%	0.327	S	S	*	.				-127.8	0	120.7	-94.8	-98.6	0	0	0	107.7	W1207 L1209 I1270	W1207-F1286 HydrophobicContact CE3-CD1 4.24Å; W1207-F1286 AromaticContact CE3-CE1 3.49Å; W1207-F1286 HydrophobicContact CE3-CE1 3.49Å; W1207-F1286 VanDerWaalsContact CE3-CE1 3.49Å; W1207-F1286 HydrophobicContact CE3-CZ 4.08Å; W1207-F1286 AromaticContact CZ3-CD1 3.85Å; W1207-F1286 HydrophobicContact CZ3-CD1 3.85Å; W1207-F1286 AromaticContact CZ3-CE1 3.42Å; W1207-F1286 HydrophobicContact CZ3-CE1 3.42Å; W1207-F1286 VanDerWaalsContact CZ3-CE1 3.42Å; W1207-F1286 HydrophobicContact CZ3-CZ 4.42Å; L1209-F1286 HydrophobicContact CD1-CE2 4.02Å; L1209-F1286 HydrophobicContact CG-CE2 4.15Å; I1270-F1286 HydrophobicContact CD1-CE1 4.26Å; I1270-F1286 HydrophobicContact CD1-CE2 4.24Å; I1270-F1286 HydrophobicContact CD1-CZ 3.51Å

Retrieved 1,286 of 1,286 residues in 725.5 ms (Link to these results)

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