A0A3Q0KDL4_SCHMA Loading...

Putative clathrin coat associated protein ap-50

AlphaFold DB , UniProt , Accession A0A3Q0KDL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,369 aa.

						>A0A3Q0KDL4_SCHMA|A0A3Q0KDL4
MSYDIDDSLYSRQRCVLGENAMIRMCKSKVFLHGLGGVGIEIAKSLILAGVGELIIQDQSLCCEQDLGTQFCVDQCSVKASKTRAEASLDRLTALNPYVRITLKTGNVTDIRCPLSDPANKTILKPLVDEGSSTKVDCLVLTKCSLQQATLLDLFCRAHDIKFIYTDIYGVFGNLFCDFGSDFTVLTQDDEPCREFFIGKIEKINDEELLITVLGNHRHHLENNDVIRFTELKNVPMLNEREFPIRVKSPSELIITTSIKDIQFPYSDGGFVLQVKKPQVHTFETMLEQIKDPKLMCVDFSKPEEGNLLHLTYLTLMRFNVETGRYPKPWDENDWNLFRDQLFTIQKLQMVNPIEINESLVKRLTFASQGQLAPLCAIFGGIAAQEAMKAITFTFTPINQWLYIHCASIVPLEINTKSNEFQNYLSSRYADLVQCIGVSNLQKIHNLSVFMVGCGAIGCELLKNLALLGVATAGSNDDDLHSANNVTDSNQHQYGQQENNKQFTYTTALDTSLMSHENDDVEDDHQTLSHSEVDSQQFIHSNSSYPEDKLTDNSETNVKSIISHQVSISQRQSIKSVQSESINSMFNMSCPNITVTDPDHIEKSNLNRQFLFQSCHIGLSKSQIACDTVKRINPSISVRAMGDKFWPNTEKSIFTDEFLLQATKCSNYKQGITSSSFSSSHKHGIVLAALDCVPTRRYLDSRCVTLHLPLIESGTLGTKGHVQVILPDITESYNSQMDDNNDIDGNGNIDSQVNTIPYCTLKSFPTLPIHCIEWAREKFASQFTLKPMKLQTFLQVWNFQQNDSMNSYHGEQTLQKQTHQLISDLIFLMDLCNENTPTNSTTTTTTTTDNNNSSNVIVTSKIYANDKILMKNWIERMNLLQDQLSPNIGRFLCSRPSTWNECLYLARDKFQHYFNHKARQLLHSFPIDTKLSDGSPFWQFPKRPPKSIEYSITDPLHQTFVISYARLLAAQLSIQVPQSCFSISNSLSSSTSPLDFSTLLNYGSTELVNYLQEVFVNYIPPIFTPSNKHIVTDENEPKPQQTITSTSPSLPKDNDHTIMSMKRIIFSNPSLNDDDGDDDSTIKEICLNESFLKMCTNILESLGKPEKFKVISSCQSVTFEKDDDNLAHVDFVTSAANLRATMYSLPITARHVVKRIAGRIVPAIATTTATVAGLVCLELLKYVINNNQYDVNGGHVGSFASEEEISTMTATTTTINDPEQRLIQLKSRNSFLNLALPILLFSEPGLCRQIRLPNGKYFSLWDRWIIRPCKSIDKYRLTDFIDQIKNDFNLVVSLITQGNRMVYMHHFPMHKSRFNEIFINLLNYSPMDSHIDLMVAYESDHMKMNNDHSHGNNDDDGGCIQGPTIRFQL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	73.4	Confident	223 Å²	223	65.3 Å²	65.3	100%	1.099	34%	0.338	S	S	*	.				0	124.5	0	-70.9	178.2	178	0	0	106.7	Y3	M1-Y3 PolarHBondContact O-N 3.46Å
2	S	41.4	Very low	74.9	Confident	89 Å²	89	61 Å²	61	62%	0.622	31%	0.314	S	S	*	.			trans	-62.5	134.7	168.1	64.3	0	0	0	0	107.5	D4	S2-D4 WeakPolarHBondContact CB-OD2 3.22Å; S2-D4 PolarHBondContact O-N 3.35Å; S2-D4 PolarHBondContact OG-OD2 2.65Å
3	Y	61.5	Low	76.3	Confident	133 Å²	133	56.3 Å²	56.3	52%	0.522	29%	0.29	S	S	.	.			trans	-80.4	31.9	176.7	-64.9	-78.8	0	0	0	110.6	M1 I5 K27	M1-Y3 PolarHBondContact O-N 3.46Å; Y3-I5 PolarHBondContact O-N 3.02Å; Y3-K27 HydrophobicContact CD1-CD 4.41Å; Y3-K27 HydrophobicContact CD1-CG 3.93Å; Y3-K27 HydrophobicContact CE1-CD 4.14Å; Y3-K27 HydrophobicContact CE1-CG 3.56Å
4	D	71.4	Confident	77.3	Confident	132 Å²	132	54.1 Å²	54.1	71%	0.706	28%	0.276	S	S	*	.			trans	-73.5	123.8	-178.3	-64.4	-34.2	0	0	0	108.5	S2 D6	S2-D4 WeakPolarHBondContact CB-OD2 3.22Å; S2-D4 PolarHBondContact O-N 3.35Å; S2-D4 PolarHBondContact OG-OD2 2.65Å; D4-D6 PolarHBondContact O-N 3.5Å
5	I	81.5	Confident	77.9	Confident	30 Å²	30	52.3 Å²	52.3	15%	0.154	27%	0.27	C	S	.	.			trans	-74.6	123.7	178.6	-62.9	163.2	0	0	0	108.4	Y3 D7 Y10 E19 M22 I23	Y3-I5 PolarHBondContact O-N 3.02Å; I5-D7 PolarHBondContact O-N 3.46Å; I5-Y10 HydrophobicContact CG2-CD2 3.97Å; I5-Y10 HydrophobicContact CG2-CG 4.37Å; I5-E19 HydrophobicContact CD1-CG 4.15Å; I5-M22 HydrophobicContact CD1-CB 3.48Å; I5-M22 VanDerWaalsContact CD1-CB 3.48Å; I5-M22 HydrophobicContact CD1-CE 4.48Å; I5-M22 HydrophobicContact CD1-CG 4.38Å; I5-M22 HydrophobicContact CD1-SD 4.14Å; I5-M22 HydrophobicContact CG1-CB 4.24Å; I5-M22 HydrophobicContact CG1-CE 4.48Å; I5-M22 HydrophobicContact CG2-CE 3.55Å; I5-M22 HydrophobicContact CG2-SD 4.03Å; I5-I23 HydrophobicContact CD1-CG1 4.16Å
6	D	85.5	Confident	78.7	Confident	30 Å²	30	49.9 Å²	49.9	16%	0.16	26%	0.258	C	S	.	.			trans	-66.6	93.3	170.7	-176.5	-1.3	0	0	0	110.3	D4 S8 L9 Y10 Y98 K603	D4-D6 PolarHBondContact O-N 3.5Å; D6-S8 PolarHBondContact O-N 2.94Å; D6-S8 WeakPolarHBondContact OD1-CB 3.45Å; D6-S8 PolarHBondContact OD1-N 3.43Å; D6-S8 PolarHBondContact OD1-OG 2.92Å; D6-S8 PolarHBondContact OD2-OG 3.16Å; D6-L9 HydrophobicContact CB-CB 4.35Å; D6-L9 PolarHBondContact O-N 3.26Å; D6-L9 VanDerWaalsContact O-N 3.14Å; D6-Y10 HydrophobicContact CB-CD2 4.42Å; D6-Y10 WeakPolarHBondContact O-CD2 3.32Å; D6-Y10 PolarHBondContact O-N 3.33Å; D6-Y98 HydrophobicContact CB-CE2 4.2Å; D6-Y98 PolarHBondContact OD2-OH 3.44Å; D6-K603 IonicContact OD1-NZ 2.68Å; D6-K603 WeakPolarHBondContact OD2-CE 3.26Å; D6-K603 IonicContact OD2-NZ 2.66Å; D6-K603 PolarHBondContact OD2-NZ 3.39Å
7	D	81.9	Confident	79.5	Confident	24 Å²	24	47.7 Å²	47.7	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-29.6	180	-169.1	72.4	0	0	0	112.2	I5 L9 S11 R14 K1154	I5-D7 PolarHBondContact O-N 3.46Å; D7-L9 VanDerWaalsContact C-N 3.26Å; D7-L9 PolarHBondContact O-N 3.1Å; D7-S11 VanDerWaalsContact O-CA 3.32Å; D7-S11 WeakPolarHBondContact O-CA 3.36Å; D7-S11 WeakPolarHBondContact O-CB 3.31Å; D7-S11 PolarHBondContact O-N 2.67Å; D7-S11 PolarHBondContact O-OG 3.3Å; D7-R14 IonicContact OD1-NH1 3.79Å; D7-K1154 WeakPolarHBondContact OD2-CD 3.03Å; D7-K1154 WeakPolarHBondContact OD2-CE 3.39Å; D7-K1154 IonicContact OD2-NZ 3.1Å; D7-K1154 PolarHBondContact OD2-NZ 3.41Å
8	S	83.3	Confident	79.9	Confident	23 Å²	23	46.7 Å²	46.7	16%	0.161	25%	0.25	C	C	.	.	H	α-helix	trans	-68	-27.4	179.3	72.7	0	0	0	0	112.7	D6 K603 S604	D6-S8 PolarHBondContact O-N 2.94Å; D6-S8 WeakPolarHBondContact OD1-CB 3.45Å; D6-S8 PolarHBondContact OD1-N 3.43Å; D6-S8 PolarHBondContact OD1-OG 2.92Å; D6-S8 PolarHBondContact OD2-OG 3.16Å; S8-K603 VanDerWaalsContact OG-CD 3.3Å; S8-K603 WeakPolarHBondContact OG-CD 3.47Å; S8-K603 WeakPolarHBondContact OG-CE 3.39Å; S8-K603 PolarHBondContact OG-NZ 2.74Å; S8-S604 VanDerWaalsContact O-CA 3.26Å; S8-S604 WeakPolarHBondContact O-CA 3.23Å; S8-S604 PolarHBondContact O-N 2.68Å
9	L	89.5	Confident	80.3	Confident	17 Å²	17	48.6 Å²	48.6	9%	0.089	26%	0.257	C	S	.	.	H	α-helix	trans	-90.8	-49.4	173.8	179.8	60.8	0	0	0	111.9	D6 D7 Y98 L606 N607	D6-L9 HydrophobicContact CB-CB 4.35Å; D6-L9 PolarHBondContact O-N 3.26Å; D6-L9 VanDerWaalsContact O-N 3.14Å; D7-L9 VanDerWaalsContact C-N 3.26Å; D7-L9 PolarHBondContact O-N 3.1Å; L9-Y98 HydrophobicContact CD2-CD2 3.95Å; L9-Y98 HydrophobicContact CD2-CE2 3.9Å; L9-L606 HydrophobicContact CD1-CB 3.87Å; L9-N607 HydrophobicContact CD1-CB 4.14Å; L9-N607 HydrophobicContact CG-CB 4.44Å; L9-N607 WeakPolarHBondContact O-CB 3.46Å
10	Y	91.1	Very high	80.9	Confident	14 Å²	14	51.8 Å²	51.8	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-96.8	3.1	-169.1	-62.7	-73.2	0	0	0	115.4	I5 D6 R12 Q13 R14 M22 A49 G50 N96 Y98 N607	I5-Y10 HydrophobicContact CG2-CD2 3.97Å; I5-Y10 HydrophobicContact CG2-CG 4.37Å; D6-Y10 HydrophobicContact CB-CD2 4.42Å; D6-Y10 WeakPolarHBondContact O-CD2 3.32Å; D6-Y10 PolarHBondContact O-N 3.33Å; Y10-R12 VanDerWaalsContact C-N 3.28Å; Y10-R12 PolarHBondContact O-N 2.94Å; Y10-Q13 PolarHBondContact O-N 3.02Å; Y10-R14 WeakPolarHBondContact O-CB 3.42Å; Y10-R14 PolarHBondContact O-N 3.4Å; Y10-M22 VanDerWaalsContact CB-CE 3.43Å; Y10-M22 HydrophobicContact CD1-CE 3.74Å; Y10-M22 HydrophobicContact CD2-CE 3.96Å; Y10-M22 HydrophobicContact CE1-CE 4.44Å; Y10-M22 HydrophobicContact CG-CE 3.45Å; Y10-M22 VanDerWaalsContact CG-CE 3.45Å; Y10-A49 WeakPolarHBondContact CE1-O 3.09Å; Y10-G50 WeakPolarHBondContact OH-CA 3.26Å; Y10-N96 PolarHBondContact OH-ND2 3.41Å; Y10-Y98 HydrophobicContact CE2-CD2 4.34Å; Y10-N607 WeakPolarHBondContact CD1-ND2 3.39Å
11	S	85.7	Confident	81.5	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-42.3	-47.5	-176.4	41.8	0	0	0	0	114.8	D7 C15	D7-S11 VanDerWaalsContact O-CA 3.32Å; D7-S11 WeakPolarHBondContact O-CA 3.36Å; D7-S11 WeakPolarHBondContact O-CB 3.31Å; D7-S11 PolarHBondContact O-N 2.67Å; D7-S11 PolarHBondContact O-OG 3.3Å; S11-C15 PolarHBondContact O-N 2.68Å; S11-C15 PolarHBondContact O-SG 3.45Å
12	R	90.6	Very high	84.3	Confident	14 Å²	14	39.1 Å²	39.1	5%	0.053	21%	0.211	C	C	.	.	H	α-helix	trans	-70.9	-39.6	-177.7	-75.7	66.1	169	163.8	-1.6	112	Y10 C15 E602 S604 D1122 I1160 A1163	Y10-R12 VanDerWaalsContact C-N 3.28Å; Y10-R12 PolarHBondContact O-N 2.94Å; R12-C15 WeakPolarHBondContact O-CB 3.4Å; R12-C15 PolarHBondContact O-N 3.14Å; R12-E602 IonicContact NH2-OE2 2.79Å; R12-S604 PolarHBondContact NH1-OG 2.83Å; R12-S604 PolarHBondContact NH2-OG 3.04Å; R12-S604 VanDerWaalsContact NH2-OG 3.11Å; R12-D1122 IonicContact CZ-OD1 3.58Å; R12-D1122 VanDerWaalsContact CZ-OD1 3.29Å; R12-D1122 IonicContact CZ-OD2 2.8Å; R12-D1122 IonicContact NH1-OD1 3.67Å; R12-D1122 PolarHBondContact NH1-OD1 3.27Å; R12-D1122 IonicContact NH1-OD2 3.87Å; R12-D1122 IonicContact NH2-OD1 2.96Å; R12-D1122 PolarHBondContact NH2-OD1 3.25Å; R12-D1122 IonicContact NH2-OD2 3.76Å; R12-D1122 PolarHBondContact NH2-OD2 3.38Å; R12-I1160 HydrophobicContact CG-CG2 3.78Å; R12-A1163 CarbonylContact C-O 3.49Å; R12-A1163 HydrophobicContact CB-CB 4.32Å; R12-A1163 PolarHBondContact O-N 3.01Å
13	Q	93	Very high	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.7	-35.7	178.2	-174.5	179.8	-72.1	0	0	112.3	Y10 C15 V16 L17 A49 N607 A1163 I1164	Y10-Q13 PolarHBondContact O-N 3.02Å; Q13-C15 PolarHBondContact O-N 2.87Å; Q13-V16 WeakPolarHBondContact O-CA 3.45Å; Q13-V16 WeakPolarHBondContact O-CB 3.3Å; Q13-V16 PolarHBondContact O-N 3.14Å; Q13-L17 HydrophobicContact CG-CD1 3.78Å; Q13-L17 HydrophobicContact CG-CG 4.31Å; Q13-L17 PolarHBondContact O-N 2.92Å; Q13-A49 PolarHBondContact NE2-O 3.39Å; Q13-N607 PolarHBondContact OE1-ND2 3.4Å; Q13-A1163 PolarHBondContact N-O 3.41Å; Q13-I1164 HydrophobicContact CG-CD1 4.2Å; Q13-I1164 HydrophobicContact CG-CG1 4.27Å
14	R	90.4	Very high	88.4	Confident	26 Å²	26	34.2 Å²	34.2	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-33.9	173.6	-173.9	178.6	178.9	152.5	6.4	111.2	D7 Y10 V16 G18 E19 M22 H1151	D7-R14 IonicContact OD1-NH1 3.79Å; Y10-R14 WeakPolarHBondContact O-CB 3.42Å; Y10-R14 PolarHBondContact O-N 3.4Å; R14-V16 PolarHBondContact O-N 2.92Å; R14-G18 VanDerWaalsContact O-CA 3.29Å; R14-G18 WeakPolarHBondContact O-CA 3.12Å; R14-G18 PolarHBondContact O-N 2.81Å; R14-E19 IonicContact CZ-OE1 3.7Å; R14-E19 IonicContact CZ-OE2 2.74Å; R14-E19 IonicContact NH2-OE1 3.75Å; R14-E19 PolarHBondContact NH2-OE1 2.94Å; R14-E19 IonicContact NH2-OE2 3.94Å; R14-E19 PolarHBondContact NH2-OE2 2.81Å; R14-M22 HydrophobicContact CB-SD 3.71Å; R14-M22 HydrophobicContact CG-SD 4.08Å; R14-H1151 PolarHBondContact NE-CD2 3.49Å; R14-H1151 PolarHBondContact NH2-CE1 3.38Å; R14-H1151 VanDerWaalsContact NH2-CE1 3.26Å; R14-H1151 PolarHBondContact NH2-ND1 2.98Å
15	C	86.9	Confident	89.6	Confident	27 Å²	27	28 Å²	28	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-68.3	-20.7	174.3	-61.4	0	0	0	0	113.7	S11 R12 Q13 R1155 P1162	S11-C15 PolarHBondContact O-N 2.68Å; S11-C15 PolarHBondContact O-SG 3.45Å; R12-C15 WeakPolarHBondContact O-CB 3.4Å; R12-C15 PolarHBondContact O-N 3.14Å; Q13-C15 PolarHBondContact O-N 2.87Å; C15-R1155 HydrophobicContact CB-CG 4.38Å; C15-R1155 WeakPolarHBondContact SG-CD 3.36Å; C15-R1155 WeakPolarHBondContact SG-CG 3.49Å; C15-P1162 HydrophobicContact CB-CB 3.86Å; C15-P1162 HydrophobicContact CB-CG 3.75Å
16	V	90.7	Very high	90.2	Very high	13 Å²	13	28.6 Å²	28.6	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-88.6	-56.5	177.2	-175.5	0	0	0	0	110.7	Q13 R14 F395 T718 P1162	Q13-V16 WeakPolarHBondContact O-CA 3.45Å; Q13-V16 WeakPolarHBondContact O-CB 3.3Å; Q13-V16 PolarHBondContact O-N 3.14Å; R14-V16 PolarHBondContact O-N 2.92Å; V16-F395 HydrophobicContact CG1-CE2 4.21Å; V16-F395 HydrophobicContact CG1-CZ 4.13Å; V16-F395 WeakPolarHBondContact O-CZ 3.33Å; V16-T718 HydrophobicContact CG1-CG2 3.64Å; V16-P1162 HydrophobicContact CG2-CB 3.53Å
17	L	91.4	Very high	90.6	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.068	17%	0.169	C	C	.	.	H	α-helix	trans	-87.3	-28.1	-170.3	-60.2	173.1	0	0	0	113.4	Q13 A21 M22 M25 M388 F395 I1164	Q13-L17 HydrophobicContact CG-CD1 3.78Å; Q13-L17 HydrophobicContact CG-CG 4.31Å; Q13-L17 PolarHBondContact O-N 2.92Å; L17-A21 HydrophobicContact CB-CB 3.97Å; L17-A21 VanDerWaalsContact O-CB 3.23Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-M22 HydrophobicContact CB-CG 4.3Å; L17-M22 HydrophobicContact CD1-CG 4.29Å; L17-M25 HydrophobicContact CD1-CE 3.92Å; L17-M388 HydrophobicContact CD1-CE 3.39Å; L17-M388 HydrophobicContact CD2-CE 4.08Å; L17-M388 HydrophobicContact CG-CE 4.32Å; L17-F395 HydrophobicContact CD2-CD2 4.45Å; L17-F395 HydrophobicContact CD2-CE2 3.67Å; L17-F395 HydrophobicContact CD2-CZ 4.26Å; L17-I1164 HydrophobicContact CD1-CD1 4.46Å
18	G	88.3	Confident	91.3	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	17%	0.166	S	C	.	.			trans	77.1	163.4	-167.4	0	0	0	0	0	113.6	R14 M22	R14-G18 VanDerWaalsContact O-CA 3.29Å; R14-G18 WeakPolarHBondContact O-CA 3.12Å; R14-G18 PolarHBondContact O-N 2.81Å; G18-M22 WeakPolarHBondContact O-CG 3.47Å; G18-M22 PolarHBondContact O-N 3.02Å
19	E	87.6	Confident	92	Very high	84 Å²	84	33.1 Å²	33.1	39%	0.393	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-44.9	-174.3	175.9	160.3	-139.1	0	0	113.2	I5 R14 A21 M22 I23 H1151	I5-E19 HydrophobicContact CD1-CG 4.15Å; R14-E19 IonicContact CZ-OE1 3.7Å; R14-E19 IonicContact CZ-OE2 2.74Å; R14-E19 IonicContact NH2-OE1 3.75Å; R14-E19 PolarHBondContact NH2-OE1 2.94Å; R14-E19 IonicContact NH2-OE2 3.94Å; R14-E19 PolarHBondContact NH2-OE2 2.81Å; E19-A21 PolarHBondContact O-N 3.42Å; E19-M22 PolarHBondContact O-N 2.77Å; E19-I23 HydrophobicContact CG-CD1 3.81Å; E19-I23 HydrophobicContact CG-CG1 4.49Å; E19-I23 WeakPolarHBondContact O-CG1 3.43Å; E19-I23 PolarHBondContact O-N 3.49Å; E19-H1151 IonicContact OE2-CE1 3.29Å
20	N	90.7	Very high	92.4	Very high	112 Å²	112	32.3 Å²	32.3	60%	0.599	17%	0.165	S	C	*	.	H	α-helix	trans	-63.5	-39.6	-177.8	-70.9	-36.3	0	0	0	112.9	R24	N20-R24 PolarHBondContact O-N 3.17Å; N20-R24 VanDerWaalsContact O-N 3.16Å
21	A	94	Very high	92.8	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-42.1	176.9	0	0	0	0	0	110.9	L17 E19 R24 M25 T392 T394	L17-A21 HydrophobicContact CB-CB 3.97Å; L17-A21 VanDerWaalsContact O-CB 3.23Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; E19-A21 PolarHBondContact O-N 3.42Å; A21-R24 PolarHBondContact O-N 3.11Å; A21-M25 WeakPolarHBondContact O-CB 3.39Å; A21-M25 PolarHBondContact O-N 3.01Å; A21-T392 HydrophobicContact CB-CG2 4.29Å; A21-T392 VanDerWaalsContact O-CG2 3.26Å; A21-T392 WeakPolarHBondContact O-CG2 3.47Å; A21-T394 HydrophobicContact CB-CG2 4.34Å; A21-T394 WeakPolarHBondContact CB-OG1 3.46Å
22	M	93.9	Very high	93.4	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.034	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-41.6	175.9	-74.1	-166	73.5	0	0	113.1	I5 Y10 R14 L17 G18 E19 R24 M25 C26	I5-M22 HydrophobicContact CD1-CB 3.48Å; I5-M22 VanDerWaalsContact CD1-CB 3.48Å; I5-M22 HydrophobicContact CD1-CE 4.48Å; I5-M22 HydrophobicContact CD1-CG 4.38Å; I5-M22 HydrophobicContact CD1-SD 4.14Å; I5-M22 HydrophobicContact CG1-CB 4.24Å; I5-M22 HydrophobicContact CG1-CE 4.48Å; I5-M22 HydrophobicContact CG2-CE 3.55Å; I5-M22 HydrophobicContact CG2-SD 4.03Å; Y10-M22 VanDerWaalsContact CB-CE 3.43Å; Y10-M22 HydrophobicContact CD1-CE 3.74Å; Y10-M22 HydrophobicContact CD2-CE 3.96Å; Y10-M22 HydrophobicContact CE1-CE 4.44Å; Y10-M22 HydrophobicContact CG-CE 3.45Å; Y10-M22 VanDerWaalsContact CG-CE 3.45Å; R14-M22 HydrophobicContact CB-SD 3.71Å; R14-M22 HydrophobicContact CG-SD 4.08Å; L17-M22 HydrophobicContact CB-CG 4.3Å; L17-M22 HydrophobicContact CD1-CG 4.29Å; G18-M22 WeakPolarHBondContact O-CG 3.47Å; G18-M22 PolarHBondContact O-N 3.02Å; E19-M22 PolarHBondContact O-N 2.77Å; M22-R24 VanDerWaalsContact C-N 3.29Å; M22-R24 PolarHBondContact O-N 2.94Å; M22-M25 HydrophobicContact CG-CE 4.31Å; M22-M25 PolarHBondContact O-N 2.91Å; M22-C26 PolarHBondContact O-N 3.2Å
23	I	93.9	Very high	93.7	Very high	45 Å²	45	31.5 Å²	31.5	23%	0.231	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-36.2	175.7	-68.6	167.6	0	0	0	111.5	I5 E19 C26 K27	I5-I23 HydrophobicContact CD1-CG1 4.16Å; E19-I23 HydrophobicContact CG-CD1 3.81Å; E19-I23 HydrophobicContact CG-CG1 4.49Å; E19-I23 WeakPolarHBondContact O-CG1 3.43Å; E19-I23 PolarHBondContact O-N 3.49Å; I23-C26 PolarHBondContact O-SG 3.46Å; I23-K27 WeakPolarHBondContact O-CG 3.43Å
24	R	95.2	Very high	93.9	Very high	73 Å²	73	31.5 Å²	31.5	28%	0.275	16%	0.163	S	C	.	.	H	α-helix	trans	-67.1	-49.9	173.6	-74	-172	-71.8	-91	3.5	110.6	N20 A21 M22 C26 K27 S28 T392 T394	N20-R24 PolarHBondContact O-N 3.17Å; N20-R24 VanDerWaalsContact O-N 3.16Å; A21-R24 PolarHBondContact O-N 3.11Å; M22-R24 VanDerWaalsContact C-N 3.29Å; M22-R24 PolarHBondContact O-N 2.94Å; R24-C26 VanDerWaalsContact C-N 3.35Å; R24-C26 PolarHBondContact O-N 3.43Å; R24-K27 WeakPolarHBondContact O-CB 3.3Å; R24-K27 PolarHBondContact O-N 3.02Å; R24-S28 PolarHBondContact O-N 2.91Å; R24-S28 PolarHBondContact O-OG 3.47Å; R24-T392 VanDerWaalsContact CZ-O 3.3Å; R24-T392 PolarHBondContact NE-O 2.94Å; R24-T392 PolarHBondContact NH2-O 3.16Å; R24-T394 PolarHBondContact NH2-OG1 3.5Å
25	M	95.9	Very high	94.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-56.4	-43.9	-179.9	-176.3	168.6	57.4	0	0	113.2	L17 A21 M22 K27 S28 A49 V51 G52 M388 I391 T392	L17-M25 HydrophobicContact CD1-CE 3.92Å; A21-M25 WeakPolarHBondContact O-CB 3.39Å; A21-M25 PolarHBondContact O-N 3.01Å; M22-M25 HydrophobicContact CG-CE 4.31Å; M22-M25 PolarHBondContact O-N 2.91Å; M25-K27 PolarHBondContact O-N 3.11Å; M25-K27 VanDerWaalsContact O-N 3.16Å; M25-S28 PolarHBondContact O-N 2.79Å; M25-S28 VanDerWaalsContact O-N 3.1Å; M25-A49 HydrophobicContact CE-CB 4.33Å; M25-A49 WeakPolarHBondContact CE-O 3.35Å; M25-A49 HydrophobicContact SD-CB 3.88Å; M25-V51 HydrophobicContact CG-CG1 3.99Å; M25-V51 WeakPolarHBondContact O-CA 3.36Å; M25-V51 HydrophobicContact SD-CG1 4.45Å; M25-G52 PolarHBondContact O-N 3.23Å; M25-M388 HydrophobicContact CE-CE 4.31Å; M25-M388 HydrophobicContact SD-CE 3.65Å; M25-M388 HydrophobicContact SD-CG 4.1Å; M25-M388 HydrophobicContact SD-SD 4.46Å; M25-I391 HydrophobicContact CG-CD1 4.07Å; M25-T392 HydrophobicContact CB-CG2 3.79Å
26	C	94.3	Very high	94.6	Very high	42 Å²	42	29.1 Å²	29.1	28%	0.284	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.6	-179.9	76.6	0	0	0	0	113.6	M22 I23 R24 G52	M22-C26 PolarHBondContact O-N 3.2Å; I23-C26 PolarHBondContact O-SG 3.46Å; R24-C26 VanDerWaalsContact C-N 3.35Å; R24-C26 PolarHBondContact O-N 3.43Å; C26-G52 WeakPolarHBondContact O-CA 3.11Å
27	K	94.6	Very high	94.9	Very high	111 Å²	111	28.5 Å²	28.5	48%	0.483	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.1	174.9	-68	175.3	-174.7	-179.9	0	112.8	Y3 I23 R24 M25	Y3-K27 HydrophobicContact CD1-CD 4.41Å; Y3-K27 HydrophobicContact CD1-CG 3.93Å; Y3-K27 HydrophobicContact CE1-CD 4.14Å; Y3-K27 HydrophobicContact CE1-CG 3.56Å; I23-K27 WeakPolarHBondContact O-CG 3.43Å; R24-K27 WeakPolarHBondContact O-CB 3.3Å; R24-K27 PolarHBondContact O-N 3.02Å; M25-K27 PolarHBondContact O-N 3.11Å; M25-K27 VanDerWaalsContact O-N 3.16Å
28	S	96.9	Very high	95.2	Very high	9 Å²	9	28 Å²	28	6%	0.063	15%	0.145	C	C	.	.			trans	-85.2	151.1	-173	-62.2	0	0	0	0	113.4	R24 M25 G52 E53 D137	R24-S28 PolarHBondContact O-N 2.91Å; R24-S28 PolarHBondContact O-OG 3.47Å; M25-S28 PolarHBondContact O-N 2.79Å; M25-S28 VanDerWaalsContact O-N 3.1Å; S28-G52 WeakPolarHBondContact O-CA 3.46Å; S28-G52 PolarHBondContact O-N 2.9Å; S28-G52 VanDerWaalsContact O-N 3.13Å; S28-E53 PolarHBondContact O-N 3.01Å; S28-E53 VanDerWaalsContact O-N 3.09Å; S28-D137 WeakPolarHBondContact CA-OD2 3.43Å; S28-D137 WeakPolarHBondContact CB-OD2 3.47Å
29	K	97.3	Very high	95.7	Very high	53 Å²	53	26.7 Å²	26.7	23%	0.23	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.5	174.6	-56.2	-173	177.4	-175.5	0	110.2	E53 D137 C138	K29-E53 WeakPolarHBondContact CA-O 3.2Å; K29-E53 HydrophobicContact CB-CB 4.49Å; K29-E53 WeakPolarHBondContact CD-OE2 3.27Å; K29-E53 WeakPolarHBondContact CE-OE2 3.45Å; K29-E53 HydrophobicContact CG-CB 4.13Å; K29-E53 IonicContact NZ-OE2 3.26Å; K29-D137 PolarHBondContact N-OD2 2.87Å; K29-D137 PolarHBondContact O-N 2.99Å; K29-C138 PolarHBondContact O-N 2.73Å
30	V	98.5	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132	176.6	-175.8	0	0	0	0	109.4	L46 V51 E53 L54 I55 C138 V140 I391	V30-L46 HydrophobicContact CB-CD1 4.37Å; V30-L46 HydrophobicContact CG1-CD1 3.83Å; V30-V51 HydrophobicContact CG2-CG1 4.31Å; V30-E53 PolarHBondContact N-O 3.38Å; V30-L54 HydrophobicContact CB-CD1 4.11Å; V30-L54 HydrophobicContact CG1-CD1 4.24Å; V30-I55 PolarHBondContact O-N 3.49Å; V30-C138 WeakPolarHBondContact CA-O 3.49Å; V30-C138 HydrophobicContact CG1-CB 4.38Å; V30-C138 HydrophobicContact CG2-CB 4.43Å; V30-V140 HydrophobicContact CG1-CG2 3.99Å; V30-I391 HydrophobicContact CG2-CD1 4.06Å; V30-I391 HydrophobicContact CG2-CG2 4.33Å
31	F	98.3	Very high	96.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.3	172.7	-166	-72.9	0	0	0	109.6	H33 I55 Q57 K104 V108 P126 L127 V136 C138 L139 V140	F31-H33 HydrophobicContact CE1-CB 4.26Å; F31-I55 HydrophobicContact CD2-CB 3.78Å; F31-I55 HydrophobicContact CD2-CD1 4.17Å; F31-I55 HydrophobicContact CD2-CG2 3.51Å; F31-I55 HydrophobicContact CE2-CB 4.32Å; F31-I55 HydrophobicContact CE2-CG2 3.53Å; F31-I55 HydrophobicContact CG-CB 4.31Å; F31-I55 HydrophobicContact CG-CG2 4.36Å; F31-I55 HydrophobicContact CZ-CG2 4.38Å; F31-Q57 HydrophobicContact CE1-CB 3.98Å; F31-Q57 HydrophobicContact CZ-CB 3.91Å; F31-K104 HydrophobicContact CE2-CG 4.42Å; F31-V108 HydrophobicContact CE1-CG1 4.06Å; F31-V108 HydrophobicContact CE1-CG2 4.01Å; F31-V108 HydrophobicContact CE2-CG1 4.35Å; F31-V108 HydrophobicContact CZ-CG1 3.69Å; F31-V108 HydrophobicContact CZ-CG2 4.46Å; F31-P126 HydrophobicContact CE2-CB 3.79Å; F31-L127 HydrophobicContact CB-CD2 3.93Å; F31-L127 HydrophobicContact CD1-CD2 4.02Å; F31-L127 HydrophobicContact CD2-CD2 3.62Å; F31-L127 HydrophobicContact CE1-CD2 4.46Å; F31-L127 HydrophobicContact CE2-CD2 4.1Å; F31-L127 HydrophobicContact CG-CD2 3.58Å; F31-L127 HydrophobicContact CZ-CD2 4.5Å; F31-V136 HydrophobicContact CB-CB 4.4Å; F31-V136 HydrophobicContact CB-CG1 4.16Å; F31-V136 HydrophobicContact CB-CG2 4.3Å; F31-V136 HydrophobicContact CD2-CG1 4.48Å; F31-C138 PolarHBondContact N-O 3.47Å; F31-L139 HydrophobicContact CB-CD1 3.95Å; F31-L139 HydrophobicContact CD1-CD1 3.47Å; F31-L139 VanDerWaalsContact CD1-CD1 3.47Å; F31-L139 HydrophobicContact CE1-CD1 4.33Å; F31-L139 HydrophobicContact CG-CD1 4.01Å; F31-V140 PolarHBondContact O-N 3.46Å
32	L	98.4	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.8	177.8	174.9	62.6	0	0	0	110.2	L35 G39 I42 A43 L54 I55 Q57 V140 T142	L32-L35 HydrophobicContact CD2-CD2 3.88Å; L32-G39 WeakPolarHBondContact CD2-O 3.49Å; L32-I42 HydrophobicContact CD1-CB 4.34Å; L32-I42 HydrophobicContact CD1-CD1 4.26Å; L32-I42 HydrophobicContact CD1-CG2 4.08Å; L32-I42 HydrophobicContact CD2-CB 4.24Å; L32-I42 HydrophobicContact CD2-CG2 4.17Å; L32-A43 HydrophobicContact CD2-CB 3.75Å; L32-L54 HydrophobicContact CB-CD1 4.14Å; L32-I55 PolarHBondContact N-O 3.35Å; L32-Q57 PolarHBondContact O-N 3.16Å; L32-V140 WeakPolarHBondContact CA-O 3.23Å; L32-V140 HydrophobicContact CD1-CB 3.95Å; L32-V140 HydrophobicContact CD1-CG1 3.9Å; L32-T142 HydrophobicContact CD1-CG2 4.37Å
33	H	97.9	Very high	97	Very high	13 Å²	13	17 Å²	17	6%	0.06	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.5	172.2	178	82.8	0	0	0	110.8	F31 Q57 N107 V108 T109 V140 L141 T142	F31-H33 HydrophobicContact CE1-CB 4.26Å; H33-Q57 PolarHBondContact ND1-OE1 3.31Å; H33-N107 PolarHBondContact CE1-OD1 3.15Å; H33-N107 PolarHBondContact ND1-OD1 3.29Å; H33-V108 HydrophobicContact CB-CG2 4.41Å; H33-T109 VanDerWaalsContact CE1-CG2 3.45Å; H33-T109 WeakPolarHBondContact CE1-CG2 3.34Å; H33-T109 WeakPolarHBondContact NE2-CG2 3.48Å; H33-V140 PolarHBondContact N-O 3.04Å; H33-L141 HydrophobicContact CB-CD2 3.57Å; H33-T142 PolarHBondContact CD2-O 3.22Å; H33-T142 VanDerWaalsContact CD2-O 3.27Å; H33-T142 PolarHBondContact O-N 2.94Å; H33-T142 PolarHBondContact O-OG1 3.11Å
34	G	96.4	Very high	97.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.01	7%	0.07	C	C	.	.			trans	84	124.3	-177.3	0	0	0	0	0	112.4	G39 Q57 T142	G34-G39 WeakPolarHBondContact O-CA 3.22Å; G34-Q57 PolarHBondContact N-O 3.5Å; G34-T142 VanDerWaalsContact CA-OG1 3.31Å; G34-T142 WeakPolarHBondContact CA-OG1 3.47Å; G34-T142 PolarHBondContact O-OG1 3.38Å; G34-T142 VanDerWaalsContact O-OG1 3.04Å
35	L	96.5	Very high	97.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.			trans	-124.1	34.4	179.8	-79.7	178.9	0	0	0	111.6	L32 I40 A43 I56 D58 Q70 R84 A85	L32-L35 HydrophobicContact CD2-CD2 3.88Å; L35-I40 HydrophobicContact CD2-CD1 4.46Å; L35-A43 HydrophobicContact CD2-CB 3.94Å; L35-I56 HydrophobicContact CD1-CB 3.89Å; L35-I56 HydrophobicContact CD1-CD1 3.92Å; L35-I56 HydrophobicContact CD1-CG1 4.41Å; L35-I56 HydrophobicContact CD1-CG2 4.25Å; L35-D58 HydrophobicContact CB-CB 3.89Å; L35-D58 HydrophobicContact CG-CB 4.41Å; L35-D58 PolarHBondContact N-OD2 3.31Å; L35-Q70 WeakPolarHBondContact O-CG 3.49Å; L35-Q70 PolarHBondContact O-NE2 3.22Å; L35-R84 HydrophobicContact CB-CB 4.36Å; L35-A85 HydrophobicContact CD1-CB 3.84Å
36	G	96.2	Very high	97.5	Very high	3 Å²	3	11.3 Å²	11.3	3%	0.031	6%	0.057	C	C	.	.	S	Bend	trans	-67.8	-163.3	161.4	0	0	0	0	0	111.8	V38 G39 I40	G36-V38 PolarHBondContact O-N 3.45Å; G36-G39 PolarHBondContact O-N 3.23Å; G36-I40 PolarHBondContact O-N 3.14Å
37	G	96.8	Very high	97.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.4	-43.7	-175.5	0	0	0	0	0	115.1	I40 E41 T69 C376	G37-I40 VanDerWaalsContact O-CG2 3.32Å; G37-I40 WeakPolarHBondContact O-CG2 3.42Å; G37-E41 WeakPolarHBondContact O-CG 3.38Å; G37-T69 WeakPolarHBondContact CA-O 3.26Å; G37-C376 VanDerWaalsContact C-SG 3.58Å; G37-C376 WeakPolarHBondContact O-CB 3.31Å
38	V	98.4	Very high	97.8	Very high	3 Å²	3	4.1 Å²	4.1	2%	0.018	2%	0.021	C	C	.	.	H	α-helix	trans	-69	-47	176.4	-179.4	0	0	0	0	110.8	G36 I40 E41 I42 T142 T166 I168 C376 F379	G36-V38 PolarHBondContact O-N 3.45Å; V38-I40 PolarHBondContact O-N 3.4Å; V38-E41 PolarHBondContact O-N 3.27Å; V38-I42 HydrophobicContact CG1-CD1 3.95Å; V38-I42 HydrophobicContact CG1-CG1 4.48Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 3.32Å; V38-I42 VanDerWaalsContact O-N 3.12Å; V38-T142 HydrophobicContact CB-CG2 4.44Å; V38-T142 HydrophobicContact CG1-CG2 4.06Å; V38-T166 HydrophobicContact CG1-CG2 3.92Å; V38-I168 HydrophobicContact CG2-CB 4.41Å; V38-I168 HydrophobicContact CG2-CD1 4.46Å; V38-I168 HydrophobicContact CG2-CG1 3.98Å; V38-I168 HydrophobicContact CG2-CG2 3.81Å; V38-C376 HydrophobicContact CG2-CB 4.42Å; V38-F379 HydrophobicContact CG1-CB 4.28Å
39	G	98.2	Very high	97.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-59.4	-42.3	-177.8	0	0	0	0	0	113.4	L32 G34 G36 E41 I42 A43	L32-G39 WeakPolarHBondContact CD2-O 3.49Å; G34-G39 WeakPolarHBondContact O-CA 3.22Å; G36-G39 PolarHBondContact O-N 3.23Å; G39-E41 VanDerWaalsContact C-N 3.31Å; G39-E41 PolarHBondContact O-N 2.8Å; G39-I42 PolarHBondContact O-N 3.18Å; G39-A43 PolarHBondContact O-N 2.87Å
40	I	98	Very high	97.7	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-66.4	-34.2	179.5	-165.8	65.1	0	0	0	112.6	L35 G36 G37 V38 A43 K44 Q70 F71 C72 L92	L35-I40 HydrophobicContact CD2-CD1 4.46Å; G36-I40 PolarHBondContact O-N 3.14Å; G37-I40 VanDerWaalsContact O-CG2 3.32Å; G37-I40 WeakPolarHBondContact O-CG2 3.42Å; V38-I40 PolarHBondContact O-N 3.4Å; I40-A43 PolarHBondContact O-N 3.26Å; I40-K44 VanDerWaalsContact O-CB 3.31Å; I40-K44 WeakPolarHBondContact O-CB 3.34Å; I40-K44 PolarHBondContact O-N 3.21Å; I40-Q70 HydrophobicContact CB-CG 3.92Å; I40-Q70 HydrophobicContact CG1-CG 4.35Å; I40-Q70 HydrophobicContact CG2-CB 4.47Å; I40-Q70 HydrophobicContact CG2-CG 3.75Å; I40-F71 HydrophobicContact CB-CE1 4.45Å; I40-F71 HydrophobicContact CG1-CE1 3.94Å; I40-F71 HydrophobicContact CG1-CE2 4.12Å; I40-F71 HydrophobicContact CG1-CZ 3.71Å; I40-F71 HydrophobicContact CG2-CD1 4.15Å; I40-F71 HydrophobicContact CG2-CE1 3.79Å; I40-F71 HydrophobicContact CG2-CZ 4.41Å; I40-C72 HydrophobicContact CD1-CB 4.08Å; I40-C72 HydrophobicContact CG1-CB 4.39Å; I40-L92 HydrophobicContact CD1-CD1 4.05Å; I40-L92 HydrophobicContact CD1-CD2 3.82Å; I40-L92 HydrophobicContact CD1-CG 4.19Å
41	E	98.6	Very high	97.6	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.005	1%	0.011	C	C	.	.	H	α-helix	trans	-67.7	-37.7	175.8	-71.6	-71.1	168.1	0	0	111.9	G37 V38 G39 K44 S45 F71 C376 K463	G37-E41 WeakPolarHBondContact O-CG 3.38Å; V38-E41 PolarHBondContact O-N 3.27Å; G39-E41 VanDerWaalsContact C-N 3.31Å; G39-E41 PolarHBondContact O-N 2.8Å; E41-K44 IonicContact OE2-NZ 3.89Å; E41-K44 PolarHBondContact OE2-NZ 3.43Å; E41-S45 WeakPolarHBondContact O-CB 3.36Å; E41-S45 PolarHBondContact O-N 3.1Å; E41-S45 VanDerWaalsContact O-N 3.13Å; E41-S45 PolarHBondContact O-OG 2.97Å; E41-F71 HydrophobicContact CG-CE1 4.39Å; E41-F71 WeakPolarHBondContact OE1-CE1 3.47Å; E41-C376 HydrophobicContact CG-CB 4.36Å; E41-K463 WeakPolarHBondContact OE1-CD 3.34Å; E41-K463 WeakPolarHBondContact OE1-CE 3.32Å; E41-K463 IonicContact OE1-NZ 2.69Å; E41-K463 PolarHBondContact OE1-NZ 2.94Å; E41-K463 IonicContact OE2-NZ 3.98Å
42	I	98.8	Very high	97.5	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.1	-51.4	172.7	-61.8	170.8	0	0	0	109.9	L32 V38 G39 K44 S45 L46 V140 T142 T166 A383 A384	L32-I42 HydrophobicContact CD1-CB 4.34Å; L32-I42 HydrophobicContact CD1-CD1 4.26Å; L32-I42 HydrophobicContact CD1-CG2 4.08Å; L32-I42 HydrophobicContact CD2-CB 4.24Å; L32-I42 HydrophobicContact CD2-CG2 4.17Å; V38-I42 HydrophobicContact CG1-CD1 3.95Å; V38-I42 HydrophobicContact CG1-CG1 4.48Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 3.32Å; V38-I42 VanDerWaalsContact O-N 3.12Å; G39-I42 PolarHBondContact O-N 3.18Å; I42-K44 PolarHBondContact O-N 3.37Å; I42-S45 PolarHBondContact O-N 3.2Å; I42-L46 HydrophobicContact CG2-CD1 3.76Å; I42-L46 HydrophobicContact CG2-CG 4.25Å; I42-L46 WeakPolarHBondContact O-CG 3.02Å; I42-L46 PolarHBondContact O-N 3.08Å; I42-V140 HydrophobicContact CD1-CG1 3.85Å; I42-V140 HydrophobicContact CG2-CG1 4.34Å; I42-T142 HydrophobicContact CD1-CG2 3.77Å; I42-T166 HydrophobicContact CD1-CG2 3.85Å; I42-A383 HydrophobicContact CD1-CB 3.75Å; I42-A383 HydrophobicContact CG1-CB 3.99Å; I42-A384 HydrophobicContact CG2-CB 4.41Å
43	A	98.6	Very high	97.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-56.5	-51	-179.1	0	0	0	0	0	111.5	L32 L35 G39 I40 S45 L46 I47 L54 L92	L32-A43 HydrophobicContact CD2-CB 3.75Å; L35-A43 HydrophobicContact CD2-CB 3.94Å; G39-A43 PolarHBondContact O-N 2.87Å; I40-A43 PolarHBondContact O-N 3.26Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.45Å; A43-L46 PolarHBondContact O-N 2.82Å; A43-I47 WeakPolarHBondContact O-CB 3.36Å; A43-I47 WeakPolarHBondContact O-CD1 3.46Å; A43-I47 VanDerWaalsContact O-CG1 3.22Å; A43-I47 WeakPolarHBondContact O-CG1 3.29Å; A43-I47 PolarHBondContact O-N 3.47Å; A43-L54 HydrophobicContact CB-CD2 3.93Å; A43-L92 HydrophobicContact CB-CD1 4.15Å; A43-L92 HydrophobicContact CB-CD2 4.18Å
44	K	98.4	Very high	97.5	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-53.6	-49.8	176.4	177.3	-147.7	69.6	-173.8	0	111.3	I40 E41 I42 I47 L48 F71 L95 E460 F610	I40-K44 VanDerWaalsContact O-CB 3.31Å; I40-K44 WeakPolarHBondContact O-CB 3.34Å; I40-K44 PolarHBondContact O-N 3.21Å; E41-K44 IonicContact OE2-NZ 3.89Å; E41-K44 PolarHBondContact OE2-NZ 3.43Å; I42-K44 PolarHBondContact O-N 3.37Å; K44-I47 PolarHBondContact O-N 2.79Å; K44-L48 HydrophobicContact CD-CD1 4.43Å; K44-L48 HydrophobicContact CG-CD1 3.93Å; K44-L48 WeakPolarHBondContact O-CB 3.44Å; K44-L48 WeakPolarHBondContact O-CG 3.15Å; K44-L48 PolarHBondContact O-N 3.3Å; K44-F71 HydrophobicContact CB-CZ 3.9Å; K44-F71 HydrophobicContact CD-CE1 4.45Å; K44-F71 HydrophobicContact CD-CZ 3.85Å; K44-F71 HydrophobicContact CG-CZ 4.07Å; K44-L95 HydrophobicContact CB-CD1 4.26Å; K44-L95 HydrophobicContact CG-CD1 3.98Å; K44-E460 WeakPolarHBondContact CE-OE1 3.47Å; K44-E460 VanDerWaalsContact NZ-CD 3.27Å; K44-E460 IonicContact NZ-OE1 2.64Å; K44-E460 PolarHBondContact NZ-OE1 2.84Å; K44-E460 IonicContact NZ-OE2 2.83Å; K44-E460 PolarHBondContact NZ-OE2 3.12Å; K44-F610 HydrophobicContact CD-CB 4.39Å; K44-F610 HydrophobicContact CD-CD1 3.94Å; K44-F610 HydrophobicContact CD-CD2 4.15Å; K44-F610 HydrophobicContact CD-CE1 4.26Å; K44-F610 HydrophobicContact CD-CE2 4.45Å; K44-F610 HydrophobicContact CD-CG 3.89Å; K44-F610 HydrophobicContact CG-CB 4.39Å; K44-F610 HydrophobicContact CG-CD2 4.4Å; K44-F610 HydrophobicContact CG-CG 4.29Å
45	S	98.3	Very high	97.5	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.007	2%	0.022	C	C	.	.	H	α-helix	trans	-67.2	-40.7	-175.7	-57.6	0	0	0	0	112.4	E41 I42 A43 A49 A384	E41-S45 WeakPolarHBondContact O-CB 3.36Å; E41-S45 PolarHBondContact O-N 3.1Å; E41-S45 VanDerWaalsContact O-N 3.13Å; E41-S45 PolarHBondContact O-OG 2.97Å; I42-S45 PolarHBondContact O-N 3.2Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.45Å; S45-A49 VanDerWaalsContact O-CB 3.29Å; S45-A49 WeakPolarHBondContact O-CB 3.28Å; S45-A49 PolarHBondContact O-N 2.78Å; S45-A384 VanDerWaalsContact CB-CB 3.41Å
46	L	98.4	Very high	97.6	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-68.4	-39.4	176.8	-68.9	177.7	0	0	0	112.9	V30 I42 A43 A49 G50 V51 L54 A384 A387 M388	V30-L46 HydrophobicContact CB-CD1 4.37Å; V30-L46 HydrophobicContact CG1-CD1 3.83Å; I42-L46 HydrophobicContact CG2-CD1 3.76Å; I42-L46 HydrophobicContact CG2-CG 4.25Å; I42-L46 WeakPolarHBondContact O-CG 3.02Å; I42-L46 PolarHBondContact O-N 3.08Å; A43-L46 PolarHBondContact O-N 2.82Å; L46-A49 PolarHBondContact O-N 3.13Å; L46-G50 PolarHBondContact O-N 3.03Å; L46-G50 VanDerWaalsContact O-N 3.12Å; L46-V51 HydrophobicContact CB-CG1 4.1Å; L46-V51 HydrophobicContact CB-CG2 4.27Å; L46-V51 HydrophobicContact CD2-CG1 4.03Å; L46-V51 PolarHBondContact O-N 2.94Å; L46-L54 HydrophobicContact CD1-CD1 3.91Å; L46-A384 HydrophobicContact CD2-CB 4.16Å; L46-A384 HydrophobicContact CG-CB 4.14Å; L46-A387 HydrophobicContact CD1-CB 4.5Å; L46-A387 HydrophobicContact CD2-CB 3.99Å; L46-M388 HydrophobicContact CD2-CG 4.08Å
47	I	98	Very high	97.6	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65.8	-47	177	-69.2	160.6	0	0	0	110.3	A43 K44 A49 G50 L54 L92 L95 N96 V99 I101	A43-I47 WeakPolarHBondContact O-CB 3.36Å; A43-I47 WeakPolarHBondContact O-CD1 3.46Å; A43-I47 VanDerWaalsContact O-CG1 3.22Å; A43-I47 WeakPolarHBondContact O-CG1 3.29Å; A43-I47 PolarHBondContact O-N 3.47Å; K44-I47 PolarHBondContact O-N 2.79Å; I47-A49 PolarHBondContact O-N 3.38Å; I47-G50 PolarHBondContact O-N 3.48Å; I47-G50 VanDerWaalsContact O-N 3.12Å; I47-L54 HydrophobicContact CD1-CD2 3.85Å; I47-L54 HydrophobicContact CG1-CD2 3.74Å; I47-L92 HydrophobicContact CD1-CB 3.72Å; I47-L92 HydrophobicContact CD1-CD1 4.36Å; I47-L92 HydrophobicContact CD1-CD2 3.77Å; I47-L92 HydrophobicContact CD1-CG 4.15Å; I47-L95 HydrophobicContact CG2-CB 3.8Å; I47-N96 HydrophobicContact CG2-CB 3.58Å; I47-N96 WeakPolarHBondContact O-CB 3.24Å; I47-N96 PolarHBondContact O-ND2 2.83Å; I47-V99 HydrophobicContact CG1-CG1 4.18Å; I47-V99 HydrophobicContact CG2-CB 4.33Å; I47-V99 HydrophobicContact CG2-CG2 4.33Å; I47-V99 WeakPolarHBondContact O-CG2 3.33Å; I47-I101 HydrophobicContact CD1-CD1 3.57Å; I47-I101 HydrophobicContact CD1-CG1 4.38Å; I47-I101 HydrophobicContact CG1-CD1 4.12Å
48	L	97.3	Very high	97.5	Very high	3 Å²	3	3.2 Å²	3.2	2%	0.016	2%	0.023	C	C	.	.	H	α-helix	trans	-61	-36.8	175.8	-72.2	174.2	0	0	0	112	K44 G50 L95 L606 N607 F610 A1165	K44-L48 HydrophobicContact CD-CD1 4.43Å; K44-L48 HydrophobicContact CG-CD1 3.93Å; K44-L48 WeakPolarHBondContact O-CB 3.44Å; K44-L48 WeakPolarHBondContact O-CG 3.15Å; K44-L48 PolarHBondContact O-N 3.3Å; L48-G50 VanDerWaalsContact C-N 3.28Å; L48-G50 PolarHBondContact O-N 3.12Å; L48-L95 HydrophobicContact CD2-CB 4.29Å; L48-L606 VanDerWaalsContact CD2-O 3.32Å; L48-L606 WeakPolarHBondContact CD2-O 3.46Å; L48-N607 WeakPolarHBondContact CB-O 3.47Å; L48-N607 PolarHBondContact O-ND2 3.08Å; L48-F610 HydrophobicContact CD1-CB 3.83Å; L48-F610 HydrophobicContact CD2-CB 4.48Å; L48-A1165 HydrophobicContact CB-CB 4.29Å; L48-A1165 HydrophobicContact CD1-CB 3.94Å
49	A	96.1	Very high	97.3	Very high	2 Å²	2	6.9 Å²	6.9	2%	0.017	4%	0.039	C	C	.	.	H	α-helix	trans	-65.1	-29.8	176.3	0	0	0	0	0	113.3	Y10 Q13 M25 S45 L46 I47 M388	Y10-A49 WeakPolarHBondContact CE1-O 3.09Å; Q13-A49 PolarHBondContact NE2-O 3.39Å; M25-A49 HydrophobicContact CE-CB 4.33Å; M25-A49 WeakPolarHBondContact CE-O 3.35Å; M25-A49 HydrophobicContact SD-CB 3.88Å; S45-A49 VanDerWaalsContact O-CB 3.29Å; S45-A49 WeakPolarHBondContact O-CB 3.28Å; S45-A49 PolarHBondContact O-N 2.78Å; L46-A49 PolarHBondContact O-N 3.13Å; I47-A49 PolarHBondContact O-N 3.38Å; A49-M388 HydrophobicContact CB-CE 3.82Å; A49-M388 HydrophobicContact CB-SD 3.66Å
50	G	96	Very high	97.2	Very high	6 Å²	6	9.4 Å²	9.4	6%	0.062	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	43.2	178.5	0	0	0	0	0	113.7	Y10 L46 I47 L48	Y10-G50 WeakPolarHBondContact OH-CA 3.26Å; L46-G50 PolarHBondContact O-N 3.03Å; L46-G50 VanDerWaalsContact O-N 3.12Å; I47-G50 PolarHBondContact O-N 3.48Å; I47-G50 VanDerWaalsContact O-N 3.12Å; L48-G50 VanDerWaalsContact C-N 3.28Å; L48-G50 PolarHBondContact O-N 3.12Å
51	V	96.9	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.			trans	-61.2	146.4	167.3	-59.6	0	0	0	0	110.7	M25 V30 L46 L54 V99 I391	M25-V51 HydrophobicContact CG-CG1 3.99Å; M25-V51 WeakPolarHBondContact O-CA 3.36Å; M25-V51 HydrophobicContact SD-CG1 4.45Å; V30-V51 HydrophobicContact CG2-CG1 4.31Å; L46-V51 HydrophobicContact CB-CG1 4.1Å; L46-V51 HydrophobicContact CB-CG2 4.27Å; L46-V51 HydrophobicContact CD2-CG1 4.03Å; L46-V51 PolarHBondContact O-N 2.94Å; V51-L54 HydrophobicContact CG2-CB 4.11Å; V51-V99 HydrophobicContact CG2-CG1 3.89Å; V51-V99 WeakPolarHBondContact O-CG1 3.04Å; V51-V99 VanDerWaalsContact O-CG2 3.29Å; V51-V99 WeakPolarHBondContact O-CG2 3.44Å; V51-I391 HydrophobicContact CG1-CD1 4.07Å
52	G	95.8	Very high	97.1	Very high	18 Å²	18	14.6 Å²	14.6	19%	0.186	9%	0.085	C	C	.	.	S	Bend	trans	-61.9	-48	-177.3	0	0	0	0	0	113.4	M25 C26 S28 R100	M25-G52 PolarHBondContact O-N 3.23Å; C26-G52 WeakPolarHBondContact O-CA 3.11Å; S28-G52 WeakPolarHBondContact O-CA 3.46Å; S28-G52 PolarHBondContact O-N 2.9Å; S28-G52 VanDerWaalsContact O-N 3.13Å; G52-R100 PolarHBondContact O-N 2.68Å
53	E	97.4	Very high	96.9	Very high	15 Å²	15	16.3 Å²	16.3	7%	0.07	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.5	173.2	178.1	174.1	-145.9	0	0	111	S28 K29 V30 I55 R100 T102	S28-E53 PolarHBondContact O-N 3.01Å; S28-E53 VanDerWaalsContact O-N 3.09Å; K29-E53 WeakPolarHBondContact CA-O 3.2Å; K29-E53 HydrophobicContact CB-CB 4.49Å; K29-E53 WeakPolarHBondContact CD-OE2 3.27Å; K29-E53 WeakPolarHBondContact CE-OE2 3.45Å; K29-E53 HydrophobicContact CG-CB 4.13Å; K29-E53 IonicContact NZ-OE2 3.26Å; V30-E53 PolarHBondContact N-O 3.38Å; E53-I55 HydrophobicContact CG-CG1 4.03Å; E53-R100 CarbonylContact C-O 3.54Å; E53-R100 VanDerWaalsContact CA-O 3.23Å; E53-R100 WeakPolarHBondContact CA-O 2.91Å; E53-R100 HydrophobicContact CB-CB 4.29Å; E53-R100 HydrophobicContact CG-CB 4.31Å; E53-R100 HydrophobicContact CG-CG 4.31Å; E53-R100 IonicContact OE1-CZ 3.68Å; E53-R100 IonicContact OE1-NE 2.75Å; E53-R100 PolarHBondContact OE1-NE 3.25Å; E53-R100 IonicContact OE1-NH2 3.02Å; E53-R100 IonicContact OE2-CZ 2.86Å; E53-R100 IonicContact OE2-NE 2.75Å; E53-R100 PolarHBondContact OE2-NE 3.39Å; E53-R100 IonicContact OE2-NH2 3.94Å; E53-R100 PolarHBondContact OE2-NH2 3.26Å; E53-T102 PolarHBondContact OE1-OG1 2.9Å
54	L	98.2	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.7	167.8	-176.5	66.7	0	0	0	109.3	V30 L32 A43 L46 I47 V51 I56 V99 R100 I101 T102	V30-L54 HydrophobicContact CB-CD1 4.11Å; V30-L54 HydrophobicContact CG1-CD1 4.24Å; L32-L54 HydrophobicContact CB-CD1 4.14Å; A43-L54 HydrophobicContact CB-CD2 3.93Å; L46-L54 HydrophobicContact CD1-CD1 3.91Å; I47-L54 HydrophobicContact CD1-CD2 3.85Å; I47-L54 HydrophobicContact CG1-CD2 3.74Å; V51-L54 HydrophobicContact CG2-CB 4.11Å; L54-I56 HydrophobicContact CD2-CG2 3.93Å; L54-I56 HydrophobicContact CG-CG2 3.92Å; L54-V99 HydrophobicContact CB-CG1 4.37Å; L54-R100 PolarHBondContact N-O 3.16Å; L54-I101 WeakPolarHBondContact O-CA 3.32Å; L54-T102 PolarHBondContact O-N 3.39Å
55	I	97.5	Very high	96.4	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.046	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119	172.6	-54.6	176.4	0	0	0	107.7	V30 F31 L32 E53 T102 K104 V136	V30-I55 PolarHBondContact O-N 3.49Å; F31-I55 HydrophobicContact CD2-CB 3.78Å; F31-I55 HydrophobicContact CD2-CD1 4.17Å; F31-I55 HydrophobicContact CD2-CG2 3.51Å; F31-I55 HydrophobicContact CE2-CB 4.32Å; F31-I55 HydrophobicContact CE2-CG2 3.53Å; F31-I55 HydrophobicContact CG-CB 4.31Å; F31-I55 HydrophobicContact CG-CG2 4.36Å; F31-I55 HydrophobicContact CZ-CG2 4.38Å; L32-I55 PolarHBondContact N-O 3.35Å; E53-I55 HydrophobicContact CG-CG1 4.03Å; I55-T102 CarbonylContact C-O 3.59Å; I55-T102 WeakPolarHBondContact CA-O 3.39Å; I55-K104 HydrophobicContact CG2-CB 4.26Å; I55-K104 HydrophobicContact CG2-CG 3.44Å; I55-K104 VanDerWaalsContact CG2-CG 3.44Å; I55-V136 HydrophobicContact CD1-CG1 3.88Å
56	I	97.4	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.6	179	58.3	170.4	0	0	0	111.3	L35 L54 A85 L89 L92 I101 T102 L103 K104	L35-I56 HydrophobicContact CD1-CB 3.89Å; L35-I56 HydrophobicContact CD1-CD1 3.92Å; L35-I56 HydrophobicContact CD1-CG1 4.41Å; L35-I56 HydrophobicContact CD1-CG2 4.25Å; L54-I56 HydrophobicContact CD2-CG2 3.93Å; L54-I56 HydrophobicContact CG-CG2 3.92Å; I56-A85 HydrophobicContact CD1-CB 4.47Å; I56-L89 HydrophobicContact CD1-CD1 4.43Å; I56-L92 HydrophobicContact CD1-CD1 4.38Å; I56-I101 HydrophobicContact CD1-CG2 3.91Å; I56-I101 HydrophobicContact CG1-CG2 4.07Å; I56-T102 PolarHBondContact N-O 3.35Å; I56-L103 HydrophobicContact CD1-CD1 4.25Å; I56-L103 HydrophobicContact CG1-CD1 4.18Å; I56-K104 PolarHBondContact O-N 3.33Å
57	Q	96.2	Very high	96.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	116.2	177.2	166.8	164.9	85.3	0	0	111.4	F31 L32 H33 G34 K104 G106	F31-Q57 HydrophobicContact CE1-CB 3.98Å; F31-Q57 HydrophobicContact CZ-CB 3.91Å; L32-Q57 PolarHBondContact O-N 3.16Å; H33-Q57 PolarHBondContact ND1-OE1 3.31Å; G34-Q57 PolarHBondContact N-O 3.5Å; Q57-K104 PolarHBondContact NE2-O 2.96Å; Q57-G106 PolarHBondContact NE2-O 3.02Å
58	D	95.9	Very high	96	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.043	13%	0.129	C	C	.	.			trans	-158.7	115.5	165	-166.9	-18	0	0	0	109.1	L35 S60 R84 A85	L35-D58 HydrophobicContact CB-CB 3.89Å; L35-D58 HydrophobicContact CG-CB 4.41Å; L35-D58 PolarHBondContact N-OD2 3.31Å; D58-S60 WeakPolarHBondContact OD1-CB 3.24Å; D58-S60 PolarHBondContact OD1-N 3.33Å; D58-S60 PolarHBondContact OD1-OG 3.02Å; D58-R84 HydrophobicContact CB-CB 4.35Å; D58-R84 WeakPolarHBondContact OD2-CD 3.39Å; D58-R84 IonicContact OD2-NH1 3.03Å; D58-A85 HydrophobicContact CB-CB 4.18Å; D58-A85 VanDerWaalsContact O-CB 3.25Å; D58-A85 WeakPolarHBondContact O-CB 3.43Å
59	Q	94.4	Very high	96	Very high	80 Å²	80	22.7 Å²	22.7	37%	0.374	13%	0.129	S	C	.	.			trans	-96.4	3.9	178.3	-66	-64	-64.1	0	0	112.5	L61 T105	Q59-L61 PolarHBondContact O-N 3.48Å; Q59-T105 WeakPolarHBondContact CG-O 3.49Å
60	S	95.2	Very high	95.9	Very high	53 Å²	53	22.6 Å²	22.6	37%	0.371	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-65.6	133.7	174.8	-46.4	0	0	0	0	109.3	D58 T83 R84	D58-S60 WeakPolarHBondContact OD1-CB 3.24Å; D58-S60 PolarHBondContact OD1-N 3.33Å; D58-S60 PolarHBondContact OD1-OG 3.02Å; S60-T83 CarbonylContact O-C 3.57Å; S60-T83 VanDerWaalsContact O-CA 3.27Å; S60-T83 WeakPolarHBondContact O-CA 3.36Å; S60-R84 PolarHBondContact O-N 3.38Å
61	L	97	Very high	95.9	Very high	103 Å²	103	22.8 Å²	22.8	54%	0.539	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-67.5	142.8	174	-59.7	-179.2	0	0	0	110	Q59 C63 S81 T83	Q59-L61 PolarHBondContact O-N 3.48Å; L61-C63 PolarHBondContact O-N 3.22Å; L61-S81 WeakPolarHBondContact CD2-O 3.13Å; L61-T83 HydrophobicContact CD2-CG2 4.34Å
62	C	96.7	Very high	95.8	Very high	8 Å²	8	23 Å²	23	5%	0.054	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-61	130.2	171.1	-62.2	0	0	0	0	109.5	D66 V73 V78 K82 A87	C62-D66 WeakPolarHBondContact CA-OD2 3.46Å; C62-V73 HydrophobicContact CB-CG1 3.95Å; C62-V78 HydrophobicContact CB-CG2 3.98Å; C62-K82 PolarHBondContact N-O 3.48Å; C62-K82 PolarHBondContact SG-O 2.66Å; C62-A87 VanDerWaalsContact SG-CB 3.53Å
63	C	95	Very high	95.8	Very high	36 Å²	36	22.3 Å²	22.3	24%	0.243	12%	0.121	C	C	.	.			trans	-120.4	168.8	174	62.8	0	0	0	0	111.4	L61 Q65 D66	L61-C63 PolarHBondContact O-N 3.22Å; C63-Q65 VanDerWaalsContact CB-OE1 3.32Å; C63-Q65 PolarHBondContact O-N 2.89Å; C63-Q65 PolarHBondContact SG-OE1 2.83Å; C63-D66 PolarHBondContact N-OD2 3.2Å; C63-D66 WeakPolarHBondContact O-CB 3.39Å; C63-D66 PolarHBondContact O-N 3.04Å; C63-D66 VanDerWaalsContact O-N 3.12Å; C63-D66 VanDerWaalsContact SG-CG 3.54Å; C63-D66 PolarHBondContact SG-OD2 3.19Å; C63-D66 VanDerWaalsContact SG-OD2 3.36Å
64	E	94.1	Very high	95.6	Very high	55 Å²	55	23.7 Å²	23.7	26%	0.257	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-55.6	-38.7	177.4	-70.5	-65	142.6	0	0	111.6	D66 L67 Q75 R428	E64-D66 VanDerWaalsContact C-N 3.25Å; E64-D66 PolarHBondContact O-N 3.18Å; E64-L67 VanDerWaalsContact O-CB 3.3Å; E64-L67 WeakPolarHBondContact O-CB 3.43Å; E64-L67 PolarHBondContact O-N 3.34Å; E64-L67 VanDerWaalsContact O-N 3.12Å; E64-L67 WeakPolarHBondContact OE2-CD1 3.49Å; E64-Q75 PolarHBondContact OE1-NE2 2.82Å; E64-R428 VanDerWaalsContact O-CA 3.27Å; E64-R428 WeakPolarHBondContact O-CA 3.25Å
65	Q	93.5	Very high	95.3	Very high	61 Å²	61	27.3 Å²	27.3	29%	0.285	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-61.7	-32.3	-179.6	-59.8	93.1	-2.2	0	0	112.9	C63 L67 G68 L425 A430	C63-Q65 VanDerWaalsContact CB-OE1 3.32Å; C63-Q65 PolarHBondContact O-N 2.89Å; C63-Q65 PolarHBondContact SG-OE1 2.83Å; Q65-L67 PolarHBondContact O-N 3.4Å; Q65-G68 PolarHBondContact O-N 3.01Å; Q65-L425 PolarHBondContact NE2-O 2.8Å; Q65-A430 HydrophobicContact CB-CB 4.47Å; Q65-A430 HydrophobicContact CG-CB 3.47Å; Q65-A430 VanDerWaalsContact CG-CB 3.47Å
66	D	95.6	Very high	95.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.027	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.5	178.6	-66.3	-36.6	0	0	0	112	C62 C63 E64 G68 T69 Q70 V73 R84	C62-D66 WeakPolarHBondContact CA-OD2 3.46Å; C63-D66 PolarHBondContact N-OD2 3.2Å; C63-D66 WeakPolarHBondContact O-CB 3.39Å; C63-D66 PolarHBondContact O-N 3.04Å; C63-D66 VanDerWaalsContact O-N 3.12Å; C63-D66 VanDerWaalsContact SG-CG 3.54Å; C63-D66 PolarHBondContact SG-OD2 3.19Å; C63-D66 VanDerWaalsContact SG-OD2 3.36Å; E64-D66 VanDerWaalsContact C-N 3.25Å; E64-D66 PolarHBondContact O-N 3.18Å; D66-G68 PolarHBondContact O-N 3.36Å; D66-G68 VanDerWaalsContact O-N 3.17Å; D66-T69 PolarHBondContact O-N 3.46Å; D66-T69 VanDerWaalsContact O-N 3.14Å; D66-Q70 HydrophobicContact CB-CB 4.29Å; D66-Q70 WeakPolarHBondContact O-CA 3.32Å; D66-Q70 WeakPolarHBondContact O-CB 3.42Å; D66-Q70 PolarHBondContact O-N 3.09Å; D66-V73 HydrophobicContact CB-CB 4.41Å; D66-V73 HydrophobicContact CB-CG1 4.25Å; D66-V73 HydrophobicContact CB-CG2 4.26Å; D66-R84 VanDerWaalsContact CG-NH2 3.31Å; D66-R84 IonicContact OD1-CZ 3.6Å; D66-R84 IonicContact OD1-NE 3.55Å; D66-R84 PolarHBondContact OD1-NE 3.41Å; D66-R84 VanDerWaalsContact OD1-NE 3.1Å; D66-R84 IonicContact OD1-NH2 3.99Å; D66-R84 PolarHBondContact OD1-NH2 3.23Å; D66-R84 IonicContact OD2-CZ 3.82Å; D66-R84 IonicContact OD2-NE 3.61Å; D66-R84 PolarHBondContact OD2-NE 2.88Å; D66-R84 IonicContact OD2-NH2 3.78Å; D66-R84 PolarHBondContact OD2-NH2 2.81Å
67	L	95.6	Very high	95.1	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.9	176.2	-61.4	167.8	0	0	0	112.2	E64 Q65 V73 V78 R428	E64-L67 VanDerWaalsContact O-CB 3.3Å; E64-L67 WeakPolarHBondContact O-CB 3.43Å; E64-L67 PolarHBondContact O-N 3.34Å; E64-L67 VanDerWaalsContact O-N 3.12Å; E64-L67 WeakPolarHBondContact OE2-CD1 3.49Å; Q65-L67 PolarHBondContact O-N 3.4Å; L67-V73 HydrophobicContact CD2-CB 4.46Å; L67-V73 HydrophobicContact CD2-CG1 3.9Å; L67-V73 WeakPolarHBondContact CD2-O 3.26Å; L67-V73 HydrophobicContact CG-CG1 4.48Å; L67-V78 HydrophobicContact CD1-CG2 4.47Å; L67-V78 HydrophobicContact CG-CG2 4.41Å; L67-R428 HydrophobicContact CB-CB 3.59Å; L67-R428 HydrophobicContact CD1-CB 4.38Å; L67-R428 PolarHBondContact O-NH2 2.87Å
68	G	95.1	Very high	95	Very high	8 Å²	8	32.7 Å²	32.7	8%	0.082	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-83	-14.3	178.1	0	0	0	0	0	114.8	Q65 D66 R428 L467	Q65-G68 PolarHBondContact O-N 3.01Å; D66-G68 PolarHBondContact O-N 3.36Å; D66-G68 VanDerWaalsContact O-N 3.17Å; G68-R428 WeakPolarHBondContact CA-O 3.47Å; G68-R428 PolarHBondContact N-O 3.4Å; G68-L467 WeakPolarHBondContact O-CB 3.46Å
69	T	95.9	Very high	95	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-15.4	-172.9	58.7	0	0	0	0	114.2	G37 D66 Q371 D431	G37-T69 WeakPolarHBondContact CA-O 3.26Å; D66-T69 PolarHBondContact O-N 3.46Å; D66-T69 VanDerWaalsContact O-N 3.14Å; T69-Q371 HydrophobicContact CG2-CB 3.84Å; T69-D431 HydrophobicContact CG2-CB 4.49Å
70	Q	95.8	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.			trans	-122.7	100.9	-172.5	-145.7	-71.1	30	0	0	109.9	L35 I40 D66 C72 V73 S88	L35-Q70 WeakPolarHBondContact O-CG 3.49Å; L35-Q70 PolarHBondContact O-NE2 3.22Å; I40-Q70 HydrophobicContact CB-CG 3.92Å; I40-Q70 HydrophobicContact CG1-CG 4.35Å; I40-Q70 HydrophobicContact CG2-CB 4.47Å; I40-Q70 HydrophobicContact CG2-CG 3.75Å; D66-Q70 HydrophobicContact CB-CB 4.29Å; D66-Q70 WeakPolarHBondContact O-CA 3.32Å; D66-Q70 WeakPolarHBondContact O-CB 3.42Å; D66-Q70 PolarHBondContact O-N 3.09Å; Q70-C72 VanDerWaalsContact C-N 3.28Å; Q70-C72 PolarHBondContact O-N 3.5Å; Q70-C72 VanDerWaalsContact OE1-CA 3.27Å; Q70-C72 VanDerWaalsContact OE1-CB 3.24Å; Q70-V73 HydrophobicContact CB-CB 4.49Å; Q70-V73 HydrophobicContact CB-CG2 4.13Å; Q70-V73 HydrophobicContact CG-CG2 4.09Å; Q70-V73 PolarHBondContact O-N 3.18Å; Q70-S88 PolarHBondContact NE2-OG 2.81Å
71	F	95.5	Very high	95	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.039	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.2	-171.6	58.5	-97.2	0	0	0	115.8	I40 E41 K44 R91 K463 L467 F610 I632	I40-F71 HydrophobicContact CB-CE1 4.45Å; I40-F71 HydrophobicContact CG1-CE1 3.94Å; I40-F71 HydrophobicContact CG1-CE2 4.12Å; I40-F71 HydrophobicContact CG1-CZ 3.71Å; I40-F71 HydrophobicContact CG2-CD1 4.15Å; I40-F71 HydrophobicContact CG2-CE1 3.79Å; I40-F71 HydrophobicContact CG2-CZ 4.41Å; E41-F71 HydrophobicContact CG-CE1 4.39Å; E41-F71 WeakPolarHBondContact OE1-CE1 3.47Å; K44-F71 HydrophobicContact CB-CZ 3.9Å; K44-F71 HydrophobicContact CD-CE1 4.45Å; K44-F71 HydrophobicContact CD-CZ 3.85Å; K44-F71 HydrophobicContact CG-CZ 4.07Å; F71-R91 PolarHBondContact O-NH1 3.27Å; F71-R91 VanDerWaalsContact O-NH1 3.13Å; F71-K463 HydrophobicContact CB-CG 4.1Å; F71-K463 HydrophobicContact CD1-CD 3.71Å; F71-K463 HydrophobicContact CD1-CG 4.12Å; F71-K463 HydrophobicContact CE1-CD 4.14Å; F71-K463 HydrophobicContact CG-CD 4.26Å; F71-K463 HydrophobicContact CG-CG 4.21Å; F71-L467 HydrophobicContact CB-CD2 4.5Å; F71-F610 AromaticContact CD2-CE2 3.89Å; F71-F610 HydrophobicContact CD2-CE2 3.89Å; F71-F610 HydrophobicContact CE2-CD2 4.33Å; F71-F610 AromaticContact CE2-CE2 3.79Å; F71-F610 HydrophobicContact CE2-CE2 3.79Å; F71-F610 HydrophobicContact CZ-CE2 4.34Å; F71-I632 HydrophobicContact CB-CD1 4.07Å; F71-I632 HydrophobicContact CB-CG1 4.32Å; F71-I632 HydrophobicContact CB-CG2 4.1Å
72	C	94.9	Very high	95	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.034	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-22.5	172.9	-73.8	0	0	0	0	113.3	I40 Q70 R91	I40-C72 HydrophobicContact CD1-CB 4.08Å; I40-C72 HydrophobicContact CG1-CB 4.39Å; Q70-C72 VanDerWaalsContact C-N 3.28Å; Q70-C72 PolarHBondContact O-N 3.5Å; Q70-C72 VanDerWaalsContact OE1-CA 3.27Å; Q70-C72 VanDerWaalsContact OE1-CB 3.24Å; C72-R91 HydrophobicContact CB-CB 4.48Å; C72-R91 WeakPolarHBondContact O-CD 3.1Å; C72-R91 PolarHBondContact O-NE 2.73Å; C72-R91 PolarHBondContact O-NH1 3.42Å
73	V	95	Very high	94.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	22%	0.221	C	C	.	.			trans	-75.3	139.4	176	177.6	0	0	0	0	109.7	C62 D66 L67 Q70 V78	C62-V73 HydrophobicContact CB-CG1 3.95Å; D66-V73 HydrophobicContact CB-CB 4.41Å; D66-V73 HydrophobicContact CB-CG1 4.25Å; D66-V73 HydrophobicContact CB-CG2 4.26Å; L67-V73 HydrophobicContact CD2-CB 4.46Å; L67-V73 HydrophobicContact CD2-CG1 3.9Å; L67-V73 WeakPolarHBondContact CD2-O 3.26Å; L67-V73 HydrophobicContact CG-CG1 4.48Å; Q70-V73 HydrophobicContact CB-CB 4.49Å; Q70-V73 HydrophobicContact CB-CG2 4.13Å; Q70-V73 HydrophobicContact CG-CG2 4.09Å; Q70-V73 PolarHBondContact O-N 3.18Å; V73-V78 HydrophobicContact CG1-CG2 3.91Å
74	D	93.4	Very high	95	Very high	44 Å²	44	39.6 Å²	39.6	24%	0.235	22%	0.215	C	C	.	.			trans	-130.5	168.8	173.1	59.3	29.3	0	0	0	111.4	C76 S77 V78 R91	D74-C76 PolarHBondContact O-N 2.84Å; D74-C76 WeakPolarHBondContact OD1-CB 3.16Å; D74-C76 PolarHBondContact OD1-N 2.71Å; D74-S77 WeakPolarHBondContact O-CB 3.26Å; D74-S77 PolarHBondContact O-N 3.47Å; D74-S77 WeakPolarHBondContact OD1-CB 3.17Å; D74-S77 PolarHBondContact OD1-N 3.07Å; D74-S77 PolarHBondContact OD1-OG 3.49Å; D74-V78 PolarHBondContact O-N 3.27Å; D74-V78 VanDerWaalsContact O-N 3.16Å; D74-R91 IonicContact OD2-CZ 3.39Å; D74-R91 IonicContact OD2-NH2 2.64Å; D74-R91 PolarHBondContact OD2-NH2 2.78Å
75	Q	92.4	Very high	95.1	Very high	76 Å²	76	37 Å²	37	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-58.2	-33.5	-178.8	-162.7	71	30.6	0	0	112.5	E64 S77 V78 K79	E64-Q75 PolarHBondContact OE1-NE2 2.82Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; Q75-V78 PolarHBondContact O-N 2.8Å; Q75-K79 HydrophobicContact CG-CD 4.18Å; Q75-K79 WeakPolarHBondContact O-CB 3.22Å; Q75-K79 VanDerWaalsContact O-CG 3.29Å; Q75-K79 WeakPolarHBondContact O-CG 3.44Å; Q75-K79 PolarHBondContact O-N 3.04Å
76	C	94.6	Very high	95.2	Very high	94 Å²	94	38.2 Å²	38.2	64%	0.635	21%	0.209	S	C	*	.	H	α-helix	trans	-64.7	-40.2	177.2	-66.4	0	0	0	0	111.2	D74 K79 A80	D74-C76 PolarHBondContact O-N 2.84Å; D74-C76 WeakPolarHBondContact OD1-CB 3.16Å; D74-C76 PolarHBondContact OD1-N 2.71Å; C76-K79 PolarHBondContact O-N 3.12Å; C76-A80 WeakPolarHBondContact O-CB 3.29Å; C76-A80 PolarHBondContact O-N 3.37Å
77	S	94.9	Very high	95.2	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-67.9	-38.6	178.5	-56.5	0	0	0	0	112.3	D74 Q75 S81 K82	D74-S77 WeakPolarHBondContact O-CB 3.26Å; D74-S77 PolarHBondContact O-N 3.47Å; D74-S77 WeakPolarHBondContact OD1-CB 3.17Å; D74-S77 PolarHBondContact OD1-N 3.07Å; D74-S77 PolarHBondContact OD1-OG 3.49Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; S77-S81 PolarHBondContact O-N 2.93Å; S77-K82 PolarHBondContact O-N 3.31Å; S77-K82 VanDerWaalsContact O-N 3.1Å
78	V	94.8	Very high	95.3	Very high	21 Å²	21	38.1 Å²	38.1	13%	0.127	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-50.4	172.5	179.3	0	0	0	0	110.5	C62 L67 V73 D74 Q75 A80 S81	C62-V78 HydrophobicContact CB-CG2 3.98Å; L67-V78 HydrophobicContact CD1-CG2 4.47Å; L67-V78 HydrophobicContact CG-CG2 4.41Å; V73-V78 HydrophobicContact CG1-CG2 3.91Å; D74-V78 PolarHBondContact O-N 3.27Å; D74-V78 VanDerWaalsContact O-N 3.16Å; Q75-V78 PolarHBondContact O-N 2.8Å; V78-A80 VanDerWaalsContact C-N 3.3Å; V78-A80 PolarHBondContact O-N 3.32Å; V78-S81 PolarHBondContact O-N 3.44Å; V78-S81 VanDerWaalsContact O-N 3.08Å
79	K	94.7	Very high	95.3	Very high	161 Å²	161	40.1 Å²	40.1	70%	0.7	22%	0.218	S	C	*	.	H	α-helix	trans	-63.1	-33.5	179.2	-73.8	174	178	175.7	0	113.4	Q75 C76 S81	Q75-K79 HydrophobicContact CG-CD 4.18Å; Q75-K79 WeakPolarHBondContact O-CB 3.22Å; Q75-K79 VanDerWaalsContact O-CG 3.29Å; Q75-K79 WeakPolarHBondContact O-CG 3.44Å; Q75-K79 PolarHBondContact O-N 3.04Å; C76-K79 PolarHBondContact O-N 3.12Å; K79-S81 VanDerWaalsContact C-N 3.25Å; K79-S81 PolarHBondContact O-N 3.26Å
80	A	95.7	Very high	95.1	Very high	62 Å²	62	45.9 Å²	45.9	51%	0.512	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.1	177.8	0	0	0	0	0	113.4	C76 V78 K82	C76-A80 WeakPolarHBondContact O-CB 3.29Å; C76-A80 PolarHBondContact O-N 3.37Å; V78-A80 VanDerWaalsContact C-N 3.3Å; V78-A80 PolarHBondContact O-N 3.32Å; A80-K82 HydrophobicContact CB-CG 4.17Å; A80-K82 PolarHBondContact O-N 2.81Å
81	S	94.6	Very high	95	Very high	77 Å²	77	49.7 Å²	49.7	54%	0.538	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	39.6	-176.2	-58.5	0	0	0	0	112.7	L61 S77 V78 K79	L61-S81 WeakPolarHBondContact CD2-O 3.13Å; S77-S81 PolarHBondContact O-N 2.93Å; V78-S81 PolarHBondContact O-N 3.44Å; V78-S81 VanDerWaalsContact O-N 3.08Å; K79-S81 VanDerWaalsContact C-N 3.25Å; K79-S81 PolarHBondContact O-N 3.26Å
82	K	96.3	Very high	95	Very high	89 Å²	89	49.2 Å²	49.2	39%	0.387	26%	0.262	S	S	.	.			trans	-70.4	147.7	173.8	-71.9	-171.8	175.9	-174.1	0	109.8	C62 S77 A80 E86 A87	C62-K82 PolarHBondContact N-O 3.48Å; C62-K82 PolarHBondContact SG-O 2.66Å; S77-K82 PolarHBondContact O-N 3.31Å; S77-K82 VanDerWaalsContact O-N 3.1Å; A80-K82 HydrophobicContact CB-CG 4.17Å; A80-K82 PolarHBondContact O-N 2.81Å; K82-E86 HydrophobicContact CB-CB 4.47Å; K82-A87 HydrophobicContact CB-CB 4.23Å
83	T	96.6	Very high	95	Very high	9 Å²	9	52 Å²	52	6%	0.055	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-66.6	153.3	165.2	64.1	0	0	0	0	110.1	S60 L61 A85 E86 A87	S60-T83 CarbonylContact O-C 3.57Å; S60-T83 VanDerWaalsContact O-CA 3.27Å; S60-T83 WeakPolarHBondContact O-CA 3.36Å; L61-T83 HydrophobicContact CD2-CG2 4.34Å; T83-A85 PolarHBondContact O-N 3.06Å; T83-E86 WeakPolarHBondContact CB-OE2 3.32Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.3Å; T83-E86 PolarHBondContact N-OE2 2.99Å; T83-E86 PolarHBondContact O-N 2.62Å; T83-E86 WeakPolarHBondContact OG1-CB 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.29Å; T83-E86 PolarHBondContact OG1-N 3.02Å; T83-E86 PolarHBondContact OG1-OE2 3.01Å; T83-A87 WeakPolarHBondContact O-CB 3.24Å; T83-A87 PolarHBondContact O-N 3.26Å
84	R	97	Very high	94.9	Very high	35 Å²	35	54.2 Å²	54.2	13%	0.132	30%	0.297	C	S	.	.	H	α-helix	trans	-56.1	-36.3	177.6	-70.6	173.7	-175.2	166.5	-3.7	112.5	L35 D58 S60 D66 S88	L35-R84 HydrophobicContact CB-CB 4.36Å; D58-R84 HydrophobicContact CB-CB 4.35Å; D58-R84 WeakPolarHBondContact OD2-CD 3.39Å; D58-R84 IonicContact OD2-NH1 3.03Å; S60-R84 PolarHBondContact O-N 3.38Å; D66-R84 VanDerWaalsContact CG-NH2 3.31Å; D66-R84 IonicContact OD1-CZ 3.6Å; D66-R84 IonicContact OD1-NE 3.55Å; D66-R84 PolarHBondContact OD1-NE 3.41Å; D66-R84 VanDerWaalsContact OD1-NE 3.1Å; D66-R84 IonicContact OD1-NH2 3.99Å; D66-R84 PolarHBondContact OD1-NH2 3.23Å; D66-R84 IonicContact OD2-CZ 3.82Å; D66-R84 IonicContact OD2-NE 3.61Å; D66-R84 PolarHBondContact OD2-NE 2.88Å; D66-R84 IonicContact OD2-NH2 3.78Å; D66-R84 PolarHBondContact OD2-NH2 2.81Å; R84-S88 WeakPolarHBondContact O-CB 3.31Å; R84-S88 PolarHBondContact O-N 2.84Å; R84-S88 VanDerWaalsContact O-N 3.15Å; R84-S88 PolarHBondContact O-OG 3.27Å
85	A	95.8	Very high	94.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.9	-42.8	178.6	0	0	0	0	0	112.4	L35 I56 D58 T83 S88 L89 L103	L35-A85 HydrophobicContact CD1-CB 3.84Å; I56-A85 HydrophobicContact CD1-CB 4.47Å; D58-A85 HydrophobicContact CB-CB 4.18Å; D58-A85 VanDerWaalsContact O-CB 3.25Å; D58-A85 WeakPolarHBondContact O-CB 3.43Å; T83-A85 PolarHBondContact O-N 3.06Å; A85-S88 PolarHBondContact O-N 3.5Å; A85-L89 PolarHBondContact O-N 2.91Å; A85-L103 HydrophobicContact CB-CD1 3.31Å
86	E	95.6	Very high	95	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-40.6	173.4	-71.7	163.8	152.9	0	0	112.3	K82 T83 S88 L103	K82-E86 HydrophobicContact CB-CB 4.47Å; T83-E86 WeakPolarHBondContact CB-OE2 3.32Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.3Å; T83-E86 PolarHBondContact N-OE2 2.99Å; T83-E86 PolarHBondContact O-N 2.62Å; T83-E86 WeakPolarHBondContact OG1-CB 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.29Å; T83-E86 PolarHBondContact OG1-N 3.02Å; T83-E86 PolarHBondContact OG1-OE2 3.01Å; E86-S88 PolarHBondContact O-N 3.32Å; E86-L103 HydrophobicContact CG-CD2 4.11Å
87	A	95.8	Very high	94.8	Very high	10 Å²	10	50.8 Å²	50.8	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-28.4	178.6	0	0	0	0	0	112.9	C62 K82 T83	C62-A87 VanDerWaalsContact SG-CB 3.53Å; K82-A87 HydrophobicContact CB-CB 4.23Å; T83-A87 WeakPolarHBondContact O-CB 3.24Å; T83-A87 PolarHBondContact O-N 3.26Å
88	S	96.3	Very high	94.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-90.3	-20.6	-175.9	-56.6	0	0	0	0	114	Q70 R84 A85 E86 D90 R91 L92	Q70-S88 PolarHBondContact NE2-OG 2.81Å; R84-S88 WeakPolarHBondContact O-CB 3.31Å; R84-S88 PolarHBondContact O-N 2.84Å; R84-S88 VanDerWaalsContact O-N 3.15Å; R84-S88 PolarHBondContact O-OG 3.27Å; A85-S88 PolarHBondContact O-N 3.5Å; E86-S88 PolarHBondContact O-N 3.32Å; S88-D90 PolarHBondContact O-N 2.84Å; S88-R91 PolarHBondContact O-N 2.85Å; S88-L92 WeakPolarHBondContact O-CB 3.37Å; S88-L92 VanDerWaalsContact O-CG 3.29Å; S88-L92 WeakPolarHBondContact O-CG 3.46Å; S88-L92 PolarHBondContact O-N 2.83Å
89	L	95	Very high	94.8	Very high	49 Å²	49	56.4 Å²	56.4	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-55.7	-51.5	-166.3	-177.3	62	0	0	0	113.7	I56 A85 R91 L92 T93 I101	I56-L89 HydrophobicContact CD1-CD1 4.43Å; A85-L89 PolarHBondContact O-N 2.91Å; L89-R91 PolarHBondContact O-N 3.44Å; L89-L92 PolarHBondContact O-N 3.1Å; L89-T93 WeakPolarHBondContact O-CB 3.42Å; L89-T93 PolarHBondContact O-N 3.22Å; L89-T93 PolarHBondContact O-OG1 2.96Å; L89-I101 HydrophobicContact CD1-CB 4.35Å; L89-I101 HydrophobicContact CD1-CG2 3.81Å
90	D	92.9	Very high	94.9	Very high	124 Å²	124	55.1 Å²	55.1	66%	0.663	29%	0.291	S	S	*	.	H	α-helix	trans	-64.6	-44.1	-176.2	-65.1	-22.4	0	0	0	111.6	S88 T93 A94	S88-D90 PolarHBondContact O-N 2.84Å; D90-T93 PolarHBondContact O-N 3.11Å; D90-A94 WeakPolarHBondContact O-CB 3.37Å; D90-A94 PolarHBondContact O-N 3.08Å; D90-A94 VanDerWaalsContact O-N 3.08Å
91	R	93.3	Very high	95	Very high	79 Å²	79	53.4 Å²	53.4	30%	0.298	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-41.2	-179.6	-66	-176.8	-175.4	-163.8	6.8	111.4	F71 C72 D74 S88 L89 A94	F71-R91 PolarHBondContact O-NH1 3.27Å; F71-R91 VanDerWaalsContact O-NH1 3.13Å; C72-R91 HydrophobicContact CB-CB 4.48Å; C72-R91 WeakPolarHBondContact O-CD 3.1Å; C72-R91 PolarHBondContact O-NE 2.73Å; C72-R91 PolarHBondContact O-NH1 3.42Å; D74-R91 IonicContact OD2-CZ 3.39Å; D74-R91 IonicContact OD2-NH2 2.64Å; D74-R91 PolarHBondContact OD2-NH2 2.78Å; S88-R91 PolarHBondContact O-N 2.85Å; L89-R91 PolarHBondContact O-N 3.44Å; R91-A94 PolarHBondContact O-N 2.87Å
92	L	95.5	Very high	95	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-41.6	176.4	-71.9	178.8	0	0	0	111.7	I40 A43 I47 I56 S88 L89 A94 L95 I101	I40-L92 HydrophobicContact CD1-CD1 4.05Å; I40-L92 HydrophobicContact CD1-CD2 3.82Å; I40-L92 HydrophobicContact CD1-CG 4.19Å; A43-L92 HydrophobicContact CB-CD1 4.15Å; A43-L92 HydrophobicContact CB-CD2 4.18Å; I47-L92 HydrophobicContact CD1-CB 3.72Å; I47-L92 HydrophobicContact CD1-CD1 4.36Å; I47-L92 HydrophobicContact CD1-CD2 3.77Å; I47-L92 HydrophobicContact CD1-CG 4.15Å; I56-L92 HydrophobicContact CD1-CD1 4.38Å; S88-L92 WeakPolarHBondContact O-CB 3.37Å; S88-L92 VanDerWaalsContact O-CG 3.29Å; S88-L92 WeakPolarHBondContact O-CG 3.46Å; S88-L92 PolarHBondContact O-N 2.83Å; L89-L92 PolarHBondContact O-N 3.1Å; L92-A94 VanDerWaalsContact C-N 3.28Å; L92-A94 PolarHBondContact O-N 2.92Å; L92-L95 HydrophobicContact CD2-CD1 4.06Å; L92-L95 WeakPolarHBondContact O-CB 3.23Å; L92-L95 PolarHBondContact O-N 3.15Å; L92-L95 VanDerWaalsContact O-N 3.17Å; L92-I101 VanDerWaalsContact C-CD1 3.49Å; L92-I101 HydrophobicContact CB-CD1 3.78Å
93	T	94.6	Very high	95	Very high	64 Å²	64	49.7 Å²	49.7	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-37.4	178	-56.7	0	0	0	0	111.5	L89 D90 L95	L89-T93 WeakPolarHBondContact O-CB 3.42Å; L89-T93 PolarHBondContact O-N 3.22Å; L89-T93 PolarHBondContact O-OG1 2.96Å; D90-T93 PolarHBondContact O-N 3.11Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.96Å
94	A	93.1	Very high	94.8	Very high	50 Å²	50	53.2 Å²	53.2	41%	0.413	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.5	178.5	0	0	0	0	0	114.3	D90 R91 L92	D90-A94 WeakPolarHBondContact O-CB 3.37Å; D90-A94 PolarHBondContact O-N 3.08Å; D90-A94 VanDerWaalsContact O-N 3.08Å; R91-A94 PolarHBondContact O-N 2.87Å; L92-A94 VanDerWaalsContact C-N 3.28Å; L92-A94 PolarHBondContact O-N 2.92Å
95	L	94.3	Very high	94.3	Very high	31 Å²	31	56.3 Å²	56.3	16%	0.162	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-38.6	179.2	-66.9	179.3	0	0	0	112.2	K44 I47 L48 L92 T93 F610	K44-L95 HydrophobicContact CB-CD1 4.26Å; K44-L95 HydrophobicContact CG-CD1 3.98Å; I47-L95 HydrophobicContact CG2-CB 3.8Å; L48-L95 HydrophobicContact CD2-CB 4.29Å; L92-L95 HydrophobicContact CD2-CD1 4.06Å; L92-L95 WeakPolarHBondContact O-CB 3.23Å; L92-L95 PolarHBondContact O-N 3.15Å; L92-L95 VanDerWaalsContact O-N 3.17Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.96Å; L95-F610 HydrophobicContact CD2-CB 4.05Å; L95-F610 HydrophobicContact CD2-CD2 4.44Å
96	N	94.1	Very high	93.8	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.312	C	S	.	.			trans	-156.3	106.7	-178.1	-167.4	-13.4	0	0	0	112.3	Y10 I47 Y98 V99	Y10-N96 PolarHBondContact OH-ND2 3.41Å; I47-N96 HydrophobicContact CG2-CB 3.58Å; I47-N96 WeakPolarHBondContact O-CB 3.24Å; I47-N96 PolarHBondContact O-ND2 2.83Å; N96-Y98 PolarHBondContact O-N 3Å; N96-Y98 VanDerWaalsContact O-N 3.14Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.5Å; N96-Y98 WeakPolarHBondContact OD1-CD2 3.29Å; N96-Y98 PolarHBondContact OD1-N 2.97Å; N96-Y98 VanDerWaalsContact OD1-N 3.15Å; N96-V99 HydrophobicContact CB-CG2 4.14Å; N96-V99 PolarHBondContact O-N 2.8Å
97	P	90.8	Very high	93.6	Very high	106 Å²	106	56.3 Å²	56.3	69%	0.688	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-11.5	-177.9	28.9	-35.6	0	0	0	114	V99	P97-V99 VanDerWaalsContact C-N 3.32Å
98	Y	93	Very high	93.5	Very high	138 Å²	138	55.8 Å²	55.8	54%	0.541	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.5	176.6	-64.8	-69.1	0	0	0	113.6	D6 L9 Y10 N96	D6-Y98 HydrophobicContact CB-CE2 4.2Å; D6-Y98 PolarHBondContact OD2-OH 3.44Å; L9-Y98 HydrophobicContact CD2-CD2 3.95Å; L9-Y98 HydrophobicContact CD2-CE2 3.9Å; Y10-Y98 HydrophobicContact CE2-CD2 4.34Å; N96-Y98 PolarHBondContact O-N 3Å; N96-Y98 VanDerWaalsContact O-N 3.14Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.5Å; N96-Y98 WeakPolarHBondContact OD1-CD2 3.29Å; N96-Y98 PolarHBondContact OD1-N 2.97Å; N96-Y98 VanDerWaalsContact OD1-N 3.15Å
99	V	96.2	Very high	93.4	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	30%	0.302	C	S	.	.	S	Bend	trans	-98.5	122.9	-176.3	179.3	0	0	0	0	110	I47 V51 L54 N96 P97 I101	I47-V99 HydrophobicContact CG1-CG1 4.18Å; I47-V99 HydrophobicContact CG2-CB 4.33Å; I47-V99 HydrophobicContact CG2-CG2 4.33Å; I47-V99 WeakPolarHBondContact O-CG2 3.33Å; V51-V99 HydrophobicContact CG2-CG1 3.89Å; V51-V99 WeakPolarHBondContact O-CG1 3.04Å; V51-V99 VanDerWaalsContact O-CG2 3.29Å; V51-V99 WeakPolarHBondContact O-CG2 3.44Å; L54-V99 HydrophobicContact CB-CG1 4.37Å; N96-V99 HydrophobicContact CB-CG2 4.14Å; N96-V99 PolarHBondContact O-N 2.8Å; P97-V99 VanDerWaalsContact C-N 3.32Å; V99-I101 HydrophobicContact CG1-CG1 4.32Å; V99-I101 PolarHBondContact O-N 2.9Å
100	R	96.8	Very high	93.3	Very high	134 Å²	134	58.5 Å²	58.5	51%	0.506	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123	170.9	-179.2	170.9	65.4	-127.6	-7	109.3	G52 E53 L54	G52-R100 PolarHBondContact O-N 2.68Å; E53-R100 CarbonylContact C-O 3.54Å; E53-R100 VanDerWaalsContact CA-O 3.23Å; E53-R100 WeakPolarHBondContact CA-O 2.91Å; E53-R100 HydrophobicContact CB-CB 4.29Å; E53-R100 HydrophobicContact CG-CB 4.31Å; E53-R100 HydrophobicContact CG-CG 4.31Å; E53-R100 IonicContact OE1-CZ 3.68Å; E53-R100 IonicContact OE1-NE 2.75Å; E53-R100 PolarHBondContact OE1-NE 3.25Å; E53-R100 IonicContact OE1-NH2 3.02Å; E53-R100 IonicContact OE2-CZ 2.86Å; E53-R100 IonicContact OE2-NE 2.75Å; E53-R100 PolarHBondContact OE2-NE 3.39Å; E53-R100 IonicContact OE2-NH2 3.94Å; E53-R100 PolarHBondContact OE2-NH2 3.26Å; L54-R100 PolarHBondContact N-O 3.16Å
101	I	97	Very high	93.4	Very high	25 Å²	25	53.1 Å²	53.1	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.6	174.9	-53.2	-179.8	0	0	0	108.9	I47 L54 I56 L89 L92 V99	I47-I101 HydrophobicContact CD1-CD1 3.57Å; I47-I101 HydrophobicContact CD1-CG1 4.38Å; I47-I101 HydrophobicContact CG1-CD1 4.12Å; L54-I101 WeakPolarHBondContact O-CA 3.32Å; I56-I101 HydrophobicContact CD1-CG2 3.91Å; I56-I101 HydrophobicContact CG1-CG2 4.07Å; L89-I101 HydrophobicContact CD1-CB 4.35Å; L89-I101 HydrophobicContact CD1-CG2 3.81Å; L92-I101 VanDerWaalsContact C-CD1 3.49Å; L92-I101 HydrophobicContact CB-CD1 3.78Å; V99-I101 HydrophobicContact CG1-CG1 4.32Å; V99-I101 PolarHBondContact O-N 2.9Å
102	T	95.3	Very high	93.5	Very high	33 Å²	33	55.8 Å²	55.8	20%	0.202	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.8	-177.9	-63.1	0	0	0	0	109.9	E53 L54 I55 I56	E53-T102 PolarHBondContact OE1-OG1 2.9Å; L54-T102 PolarHBondContact O-N 3.39Å; I55-T102 CarbonylContact C-O 3.59Å; I55-T102 WeakPolarHBondContact CA-O 3.39Å; I56-T102 PolarHBondContact N-O 3.35Å
103	L	95.2	Very high	93.1	Very high	55 Å²	55	60.7 Å²	60.7	29%	0.288	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.3	173.9	-173.4	76.6	0	0	0	110.6	I56 A85 E86	I56-L103 HydrophobicContact CD1-CD1 4.25Å; I56-L103 HydrophobicContact CG1-CD1 4.18Å; A85-L103 HydrophobicContact CB-CD1 3.31Å; E86-L103 HydrophobicContact CG-CD2 4.11Å
104	K	93.6	Very high	93	Very high	83 Å²	83	61.3 Å²	61.3	36%	0.361	33%	0.334	S	S	.	.			trans	-122.7	131.7	172	-68.7	-65.2	-175.9	-174.3	0	112.3	F31 I55 I56 Q57	F31-K104 HydrophobicContact CE2-CG 4.42Å; I55-K104 HydrophobicContact CG2-CB 4.26Å; I55-K104 HydrophobicContact CG2-CG 3.44Å; I55-K104 VanDerWaalsContact CG2-CG 3.44Å; I56-K104 PolarHBondContact O-N 3.33Å; Q57-K104 PolarHBondContact NE2-O 2.96Å
105	T	87.1	Confident	92.8	Very high	100 Å²	100	61.7 Å²	61.7	61%	0.613	33%	0.328	S	S	*	.			trans	-90	-37.6	-177.7	52	0	0	0	0	113.8	Q59 N107	Q59-T105 WeakPolarHBondContact CG-O 3.49Å; T105-N107 PolarHBondContact O-N 3.33Å
106	G	84.2	Confident	92.6	Very high	45 Å²	45	65 Å²	65	46%	0.464	35%	0.354	S	S	.	.	S	Bend	trans	-78	117.7	-176.5	0	0	0	0	0	113.1	Q57	Q57-G106 PolarHBondContact NE2-O 3.02Å
107	N	90.6	Very high	92.6	Very high	43 Å²	43	66.8 Å²	66.8	23%	0.23	36%	0.364	C	S	.	.			trans	-77.8	118	-164.8	-170.6	-1.3	0	0	0	114.3	H33 T105 T109 D110 I123	H33-N107 PolarHBondContact CE1-OD1 3.15Å; H33-N107 PolarHBondContact ND1-OD1 3.29Å; T105-N107 PolarHBondContact O-N 3.33Å; N107-T109 PolarHBondContact ND2-OG1 3.35Å; N107-T109 PolarHBondContact O-N 3.03Å; N107-T109 PolarHBondContact OD1-N 3.14Å; N107-T109 PolarHBondContact OD1-OG1 2.62Å; N107-D110 WeakPolarHBondContact O-CB 3.26Å; N107-D110 PolarHBondContact O-N 2.91Å; N107-D110 VanDerWaalsContact O-N 3.08Å; N107-I123 WeakPolarHBondContact O-CG2 3.26Å
108	V	94.5	Very high	92.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-66.2	-20.7	178.8	-58.3	0	0	0	0	113.1	F31 H33 D110 I111 L124 L127	F31-V108 HydrophobicContact CE1-CG1 4.06Å; F31-V108 HydrophobicContact CE1-CG2 4.01Å; F31-V108 HydrophobicContact CE2-CG1 4.35Å; F31-V108 HydrophobicContact CZ-CG1 3.69Å; F31-V108 HydrophobicContact CZ-CG2 4.46Å; H33-V108 HydrophobicContact CB-CG2 4.41Å; V108-D110 PolarHBondContact O-N 2.78Å; V108-I111 PolarHBondContact O-N 3.19Å; V108-L124 HydrophobicContact CB-CD2 4.38Å; V108-L127 HydrophobicContact CG1-CD1 4.42Å; V108-L127 HydrophobicContact CG1-CD2 4.37Å; V108-L127 HydrophobicContact CG1-CG 4.19Å
109	T	93.6	Very high	92.7	Very high	10 Å²	10	61.3 Å²	61.3	6%	0.061	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-77	-7.2	175.5	67.2	0	0	0	0	113.2	H33 N107 I111 C144 Q148 L152	H33-T109 VanDerWaalsContact CE1-CG2 3.45Å; H33-T109 WeakPolarHBondContact CE1-CG2 3.34Å; H33-T109 WeakPolarHBondContact NE2-CG2 3.48Å; N107-T109 PolarHBondContact ND2-OG1 3.35Å; N107-T109 PolarHBondContact O-N 3.03Å; N107-T109 PolarHBondContact OD1-N 3.14Å; N107-T109 PolarHBondContact OD1-OG1 2.62Å; T109-I111 PolarHBondContact O-N 3.21Å; T109-I111 VanDerWaalsContact O-N 3.07Å; T109-C144 HydrophobicContact CG2-CB 4.22Å; T109-Q148 VanDerWaalsContact O-CD 3.29Å; T109-Q148 WeakPolarHBondContact O-CG 3.45Å; T109-Q148 PolarHBondContact O-NE2 2.89Å; T109-L152 HydrophobicContact CG2-CD1 4.46Å
110	D	94.5	Very high	92.6	Very high	95 Å²	95	61.1 Å²	61.1	51%	0.508	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-70.9	2	172.1	-64.7	-13.8	0	0	0	112.5	N107 V108 R112 I123	N107-D110 WeakPolarHBondContact O-CB 3.26Å; N107-D110 PolarHBondContact O-N 2.91Å; N107-D110 VanDerWaalsContact O-N 3.08Å; V108-D110 PolarHBondContact O-N 2.78Å; D110-R112 PolarHBondContact O-N 2.89Å; D110-I123 HydrophobicContact CB-CD1 4.27Å; D110-I123 HydrophobicContact CB-CG1 4.47Å; D110-I123 HydrophobicContact CB-CG2 4.37Å; D110-I123 WeakPolarHBondContact O-CD1 3.22Å
111	I	95	Very high	92.3	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.062	35%	0.352	C	S	.	.			trans	-46.6	133.7	175.2	-166.9	171.4	0	0	0	111.7	V108 T109 L115 L124 Q148 L151 L152	V108-I111 PolarHBondContact O-N 3.19Å; T109-I111 PolarHBondContact O-N 3.21Å; T109-I111 VanDerWaalsContact O-N 3.07Å; I111-L115 HydrophobicContact CD1-CD1 3.76Å; I111-L115 HydrophobicContact CG1-CD1 4.48Å; I111-L124 HydrophobicContact CD1-CD1 3.89Å; I111-L124 HydrophobicContact CD1-CD2 4.18Å; I111-L124 HydrophobicContact CG1-CD1 4.4Å; I111-Q148 HydrophobicContact CG2-CB 4.21Å; I111-Q148 HydrophobicContact CG2-CG 4.2Å; I111-L151 HydrophobicContact CD1-CB 3.85Å; I111-L151 HydrophobicContact CG1-CB 4.45Å; I111-L151 HydrophobicContact CG2-CB 4.41Å; I111-L151 HydrophobicContact CG2-CD1 4.46Å; I111-L152 HydrophobicContact CD1-CD2 3.88Å; I111-L152 HydrophobicContact CD1-CG 4.04Å; I111-L152 HydrophobicContact CG2-CD1 4.49Å; I111-L152 HydrophobicContact CG2-CG 4.23Å
112	R	93.7	Very high	92	Very high	134 Å²	134	66 Å²	66	51%	0.506	38%	0.379	S	S	.	.			trans	-104.6	148.6	-176.8	-60.4	-178.6	-177.2	176	-0.3	111	D110 P114 D117 N120	D110-R112 PolarHBondContact O-N 2.89Å; R112-P114 CarbonylContact O-C 3.52Å; R112-D117 HydrophobicContact CB-CB 3.95Å; R112-D117 WeakPolarHBondContact CB-OD2 3.49Å; R112-D117 WeakPolarHBondContact CD-OD2 3.35Å; R112-N120 PolarHBondContact N-OD1 2.86Å; R112-N120 PolarHBondContact O-ND2 3.07Å
113	C	88.9	Confident	91.9	Very high	103 Å²	103	65.7 Å²	65.7	70%	0.696	38%	0.376	S	S	*	.	S	Bend	trans	-97.6	133.7	171	-172.2	0	0	0	0	109.6	L151	C113-L151 HydrophobicContact CB-CD1 3.91Å
114	P	92.1	Very high	91.9	Very high	77 Å²	77	63.3 Å²	63.3	50%	0.5	36%	0.364	S	S	.	.	S	Bend	cis	-73.1	161.6	0.1	32.6	-36.5	0	0	0	112.5	R112 S116 D117 N120	R112-P114 CarbonylContact O-C 3.52Å; P114-S116 WeakPolarHBondContact CG-OG 3.25Å; P114-S116 PolarHBondContact O-N 3.38Å; P114-D117 WeakPolarHBondContact O-CB 3.35Å; P114-D117 PolarHBondContact O-N 3.49Å; P114-N120 PolarHBondContact O-ND2 2.95Å
115	L	89.1	Confident	91.8	Very high	58 Å²	58	64.7 Å²	64.7	30%	0.304	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.4	178.6	-175.5	61.9	0	0	0	113.1	I111 D117 N120 L124 L154 F155	I111-L115 HydrophobicContact CD1-CD1 3.76Å; I111-L115 HydrophobicContact CG1-CD1 4.48Å; L115-D117 PolarHBondContact O-N 2.95Å; L115-N120 PolarHBondContact O-ND2 3.44Å; L115-L124 HydrophobicContact CD1-CD1 4.47Å; L115-L154 HydrophobicContact CD2-CB 4.45Å; L115-F155 HydrophobicContact CD1-CB 3.93Å; L115-F155 HydrophobicContact CD1-CD2 4.12Å; L115-F155 HydrophobicContact CD1-CG 4.46Å; L115-F155 HydrophobicContact CD2-CB 4.18Å
116	S	90	Very high	92.1	Very high	100 Å²	100	61.6 Å²	61.6	70%	0.699	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-0.3	176.2	61.6	0	0	0	0	115.5	P114 P118	P114-S116 WeakPolarHBondContact CG-OG 3.25Å; P114-S116 PolarHBondContact O-N 3.38Å; S116-P118 WeakPolarHBondContact O-CD 3.36Å
117	D	93.6	Very high	92.6	Very high	42 Å²	42	59.5 Å²	59.5	23%	0.225	33%	0.33	C	S	.	.			trans	-55.9	125	175.4	-172.4	-44.5	0	0	0	110.1	R112 P114 L115 A119 N120	R112-D117 HydrophobicContact CB-CB 3.95Å; R112-D117 WeakPolarHBondContact CB-OD2 3.49Å; R112-D117 WeakPolarHBondContact CD-OD2 3.35Å; P114-D117 WeakPolarHBondContact O-CB 3.35Å; P114-D117 PolarHBondContact O-N 3.49Å; L115-D117 PolarHBondContact O-N 2.95Å; D117-A119 PolarHBondContact O-N 3.13Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-A119 VanDerWaalsContact OD1-CB 3.23Å; D117-A119 WeakPolarHBondContact OD1-CB 3.39Å; D117-A119 PolarHBondContact OD1-N 3.16Å; D117-N120 VanDerWaalsContact O-CB 3.27Å; D117-N120 WeakPolarHBondContact O-CB 3.45Å; D117-N120 PolarHBondContact O-N 3.34Å
118	P	92.5	Very high	92.7	Very high	104 Å²	104	58.8 Å²	58.8	68%	0.675	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.2	-179.7	-26.6	34.6	0	0	0	114.5	S116 N120 K121	S116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-N120 PolarHBondContact O-N 3.31Å; P118-K121 WeakPolarHBondContact O-CB 3.37Å; P118-K121 PolarHBondContact O-N 3.29Å
119	A	93.5	Very high	92.3	Very high	25 Å²	25	61.1 Å²	61.1	21%	0.207	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-28.4	177.2	0	0	0	0	0	112.5	D117 K121 T122 I123	D117-A119 PolarHBondContact O-N 3.13Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-A119 VanDerWaalsContact OD1-CB 3.23Å; D117-A119 WeakPolarHBondContact OD1-CB 3.39Å; D117-A119 PolarHBondContact OD1-N 3.16Å; A119-K121 PolarHBondContact O-N 3.03Å; A119-T122 PolarHBondContact O-N 3.1Å; A119-I123 HydrophobicContact CB-CD1 4.26Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 2.96Å; A119-I123 VanDerWaalsContact O-N 3.09Å
120	N	93.3	Very high	91.4	Very high	6 Å²	6	67.8 Å²	67.8	3%	0.032	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-28.9	179.6	-68.6	-20.1	0	0	0	112	R112 P114 L115 D117 P118 T122 I123 L124	R112-N120 PolarHBondContact N-OD1 2.86Å; R112-N120 PolarHBondContact O-ND2 3.07Å; P114-N120 PolarHBondContact O-ND2 2.95Å; L115-N120 PolarHBondContact O-ND2 3.44Å; D117-N120 VanDerWaalsContact O-CB 3.27Å; D117-N120 WeakPolarHBondContact O-CB 3.45Å; D117-N120 PolarHBondContact O-N 3.34Å; P118-N120 PolarHBondContact O-N 3.31Å; N120-T122 VanDerWaalsContact C-N 3.28Å; N120-T122 PolarHBondContact O-N 3.15Å; N120-I123 PolarHBondContact O-N 3.13Å; N120-L124 HydrophobicContact CB-CD1 4.13Å; N120-L124 VanDerWaalsContact O-CB 3.25Å; N120-L124 WeakPolarHBondContact O-CB 3.35Å; N120-L124 VanDerWaalsContact O-CG 3.26Å; N120-L124 WeakPolarHBondContact O-CG 3.43Å; N120-L124 PolarHBondContact O-N 3.19Å
121	K	90.2	Very high	90.6	Very high	147 Å²	147	66.9 Å²	66.9	64%	0.639	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-39.3	174.4	-66.3	-169.5	173.8	-160.2	0	112.3	P118 A119 K125	P118-K121 WeakPolarHBondContact O-CB 3.37Å; P118-K121 PolarHBondContact O-N 3.29Å; A119-K121 PolarHBondContact O-N 3.03Å; K121-K125 PolarHBondContact O-N 2.77Å
122	T	91.8	Very high	89.5	Confident	113 Å²	113	68.5 Å²	68.5	69%	0.693	40%	0.395	S	S	*	.	H	α-helix	trans	-76.5	-43.5	177.6	-54.8	0	0	0	0	111.2	A119 N120 L124 K125	A119-T122 PolarHBondContact O-N 3.1Å; N120-T122 VanDerWaalsContact C-N 3.28Å; N120-T122 PolarHBondContact O-N 3.15Å; T122-L124 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 3.36Å; T122-K125 WeakPolarHBondContact O-CB 3.38Å; T122-K125 PolarHBondContact O-N 2.94Å
123	I	93.8	Very high	88.6	Confident	27 Å²	27	67.8 Å²	67.8	14%	0.138	41%	0.411	C	S	.	.	H	α-helix	trans	-63	-41.1	-178.7	-67.1	160	0	0	0	111.4	N107 D110 A119 N120 P126	N107-I123 WeakPolarHBondContact O-CG2 3.26Å; D110-I123 HydrophobicContact CB-CD1 4.27Å; D110-I123 HydrophobicContact CB-CG1 4.47Å; D110-I123 HydrophobicContact CB-CG2 4.37Å; D110-I123 WeakPolarHBondContact O-CD1 3.22Å; A119-I123 HydrophobicContact CB-CD1 4.26Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 2.96Å; A119-I123 VanDerWaalsContact O-N 3.09Å; N120-I123 PolarHBondContact O-N 3.13Å; I123-P126 WeakPolarHBondContact O-CD 3.41Å
124	L	94.6	Very high	88.3	Confident	5 Å²	5	66 Å²	66	3%	0.026	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.6	-174.1	-54.9	174.9	0	0	0	113.4	V108 I111 L115 N120 T122 P126 L127 V128 L152 F155	V108-L124 HydrophobicContact CB-CD2 4.38Å; I111-L124 HydrophobicContact CD1-CD1 3.89Å; I111-L124 HydrophobicContact CD1-CD2 4.18Å; I111-L124 HydrophobicContact CG1-CD1 4.4Å; L115-L124 HydrophobicContact CD1-CD1 4.47Å; N120-L124 HydrophobicContact CB-CD1 4.13Å; N120-L124 VanDerWaalsContact O-CB 3.25Å; N120-L124 WeakPolarHBondContact O-CB 3.35Å; N120-L124 VanDerWaalsContact O-CG 3.26Å; N120-L124 WeakPolarHBondContact O-CG 3.43Å; N120-L124 PolarHBondContact O-N 3.19Å; T122-L124 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 3.36Å; L124-P126 VanDerWaalsContact O-N 3.16Å; L124-L127 HydrophobicContact CD2-CD1 4.02Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 3.02Å; L124-V128 PolarHBondContact O-N 3.33Å; L124-V128 VanDerWaalsContact O-N 3.14Å; L124-L152 HydrophobicContact CD2-CD2 3.58Å; L124-F155 HydrophobicContact CB-CE1 4.16Å; L124-F155 HydrophobicContact CB-CE2 4.24Å; L124-F155 HydrophobicContact CB-CZ 3.85Å; L124-F155 HydrophobicContact CD1-CB 4.47Å; L124-F155 HydrophobicContact CD1-CD1 4.06Å; L124-F155 HydrophobicContact CD1-CD2 3.44Å; L124-F155 VanDerWaalsContact CD1-CD2 3.44Å; L124-F155 HydrophobicContact CD1-CE1 4.14Å; L124-F155 HydrophobicContact CD1-CE2 3.51Å; L124-F155 HydrophobicContact CD1-CG 3.72Å; L124-F155 HydrophobicContact CD1-CZ 3.88Å; L124-F155 HydrophobicContact CG-CZ 4.47Å
125	K	91.9	Very high	88.4	Confident	113 Å²	113	65.8 Å²	65.8	49%	0.491	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-36.8	171.6	-170.9	178.5	-179.4	-178.6	0	113.6	K121 T122 L127 V128 D129	K121-K125 PolarHBondContact O-N 2.77Å; T122-K125 WeakPolarHBondContact O-CB 3.38Å; T122-K125 PolarHBondContact O-N 2.94Å; K125-L127 PolarHBondContact O-N 3.17Å; K125-V128 WeakPolarHBondContact CA-O 3.23Å; K125-V128 CarbonylContact O-C 3.35Å; K125-V128 VanDerWaalsContact O-C 3.31Å; K125-D129 VanDerWaalsContact CE-CG 3.45Å; K125-D129 WeakPolarHBondContact CE-OD1 3.29Å; K125-D129 VanDerWaalsContact CE-OD2 3.25Å; K125-D129 WeakPolarHBondContact CE-OD2 3.35Å; K125-D129 HydrophobicContact CG-CB 4.37Å; K125-D129 IonicContact NZ-OD2 3.35Å
126	P	92.6	Very high	88.7	Confident	34 Å²	34	63.1 Å²	63.1	22%	0.221	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.2	175.3	-23.7	35.8	0	0	0	114.9	F31 I123 L124	F31-P126 HydrophobicContact CE2-CB 3.79Å; I123-P126 WeakPolarHBondContact O-CD 3.41Å; L124-P126 VanDerWaalsContact O-N 3.16Å
127	L	94.8	Very high	89.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-41.2	177.9	-56.4	179.9	0	0	0	111.7	F31 V108 L124 K125 K135 V136 L139 L152 F155 I161	F31-L127 HydrophobicContact CB-CD2 3.93Å; F31-L127 HydrophobicContact CD1-CD2 4.02Å; F31-L127 HydrophobicContact CD2-CD2 3.62Å; F31-L127 HydrophobicContact CE1-CD2 4.46Å; F31-L127 HydrophobicContact CE2-CD2 4.1Å; F31-L127 HydrophobicContact CG-CD2 3.58Å; F31-L127 HydrophobicContact CZ-CD2 4.5Å; V108-L127 HydrophobicContact CG1-CD1 4.42Å; V108-L127 HydrophobicContact CG1-CD2 4.37Å; V108-L127 HydrophobicContact CG1-CG 4.19Å; L124-L127 HydrophobicContact CD2-CD1 4.02Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 3.02Å; K125-L127 PolarHBondContact O-N 3.17Å; L127-K135 CarbonylContact O-C 3.48Å; L127-K135 VanDerWaalsContact O-CA 3.26Å; L127-K135 WeakPolarHBondContact O-CA 3.46Å; L127-V136 HydrophobicContact CB-CG2 4.18Å; L127-V136 HydrophobicContact CD2-CG2 3.91Å; L127-V136 PolarHBondContact O-N 3.09Å; L127-L139 HydrophobicContact CD1-CD2 3.98Å; L127-L139 HydrophobicContact CD2-CD1 3.92Å; L127-L152 HydrophobicContact CD1-CD2 4.26Å; L127-F155 HydrophobicContact CB-CE1 4.25Å; L127-F155 HydrophobicContact CD1-CD1 4.33Å; L127-F155 HydrophobicContact CD1-CE1 4.18Å; L127-I161 HydrophobicContact CB-CD1 4.34Å
128	V	93.3	Very high	89.3	Confident	27 Å²	27	58.9 Å²	58.9	16%	0.164	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	112.5	178.8	-177.6	0	0	0	0	108.5	L124 K125 K135 F155 H159 I161	L124-V128 PolarHBondContact O-N 3.33Å; L124-V128 VanDerWaalsContact O-N 3.14Å; K125-V128 WeakPolarHBondContact CA-O 3.23Å; K125-V128 CarbonylContact O-C 3.35Å; K125-V128 VanDerWaalsContact O-C 3.31Å; V128-K135 HydrophobicContact CG2-CB 4.1Å; V128-F155 HydrophobicContact CB-CZ 4.4Å; V128-F155 HydrophobicContact CG2-CE1 4.05Å; V128-F155 HydrophobicContact CG2-CZ 4.02Å; V128-H159 HydrophobicContact CG2-CB 4.15Å; V128-I161 HydrophobicContact CG2-CD1 3.66Å
129	D	84.8	Confident	89.6	Confident	50 Å²	50	54 Å²	54	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	96.6	170.8	-170.8	-8.4	0	0	0	109.2	K125 G131 S132 S133 T134	K125-D129 VanDerWaalsContact CE-CG 3.45Å; K125-D129 WeakPolarHBondContact CE-OD1 3.29Å; K125-D129 VanDerWaalsContact CE-OD2 3.25Å; K125-D129 WeakPolarHBondContact CE-OD2 3.35Å; K125-D129 HydrophobicContact CG-CB 4.37Å; K125-D129 IonicContact NZ-OD2 3.35Å; D129-G131 PolarHBondContact O-N 2.75Å; D129-G131 PolarHBondContact OD1-N 3.08Å; D129-G131 VanDerWaalsContact OD1-N 3.12Å; D129-S132 WeakPolarHBondContact CB-OG 3.33Å; D129-S132 PolarHBondContact O-N 3.39Å; D129-S132 PolarHBondContact O-OG 2.77Å; D129-S133 PolarHBondContact O-N 3.19Å; D129-T134 PolarHBondContact N-O 3.46Å; D129-T134 VanDerWaalsContact N-O 3.15Å
130	E	76	Confident	89.9	Confident	149 Å²	149	52.8 Å²	52.8	70%	0.696	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-27	178.9	-66.5	-178.5	176.5	0	0	112.4
131	G	76.3	Confident	90.1	Very high	76 Å²	76	52.5 Å²	52.5	78%	0.784	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-19.3	178.6	0	0	0	0	0	115.1	D129	D129-G131 PolarHBondContact O-N 2.75Å; D129-G131 PolarHBondContact OD1-N 3.08Å; D129-G131 VanDerWaalsContact OD1-N 3.12Å
132	S	72.9	Confident	90.5	Very high	47 Å²	47	45.5 Å²	45.5	33%	0.329	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-3.1	-175.2	74.8	0	0	0	0	114.2	D129 T134	D129-S132 WeakPolarHBondContact CB-OG 3.33Å; D129-S132 PolarHBondContact O-N 3.39Å; D129-S132 PolarHBondContact O-OG 2.77Å; S132-T134 WeakPolarHBondContact O-CG2 3.45Å; S132-T134 PolarHBondContact O-N 3.05Å; S132-T134 WeakPolarHBondContact OG-CB 3.43Å; S132-T134 PolarHBondContact OG-N 2.66Å; S132-T134 PolarHBondContact OG-OG1 2.77Å
133	S	74.2	Confident	90.4	Very high	119 Å²	119	44.4 Å²	44.4	83%	0.832	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	5.9	-167.3	70	0	0	0	0	114.9	D129	D129-S133 PolarHBondContact O-N 3.19Å
134	T	83.8	Confident	90.3	Very high	66 Å²	66	43.4 Å²	43.4	41%	0.405	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.7	179	71.7	0	0	0	0	111	D129 S132	D129-T134 PolarHBondContact N-O 3.46Å; D129-T134 VanDerWaalsContact N-O 3.15Å; S132-T134 WeakPolarHBondContact O-CG2 3.45Å; S132-T134 PolarHBondContact O-N 3.05Å; S132-T134 WeakPolarHBondContact OG-CB 3.43Å; S132-T134 PolarHBondContact OG-N 2.66Å; S132-T134 PolarHBondContact OG-OG1 2.77Å
135	K	92.9	Very high	90.3	Very high	71 Å²	71	45 Å²	45	31%	0.309	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	163.7	170.2	62.5	170.3	178.2	167.8	0	109.9	L127 V128 H159 D160 I161	L127-K135 CarbonylContact O-C 3.48Å; L127-K135 VanDerWaalsContact O-CA 3.26Å; L127-K135 WeakPolarHBondContact O-CA 3.46Å; V128-K135 HydrophobicContact CG2-CB 4.1Å; K135-H159 PolarHBondContact NZ-O 2.89Å; K135-D160 PolarHBondContact NZ-O 3.13Å; K135-D160 IonicContact NZ-OD2 2.97Å; K135-D160 PolarHBondContact NZ-OD2 3.09Å; K135-I161 HydrophobicContact CD-CG1 4.23Å
136	V	96.8	Very high	90.4	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	25%	0.246	C	C	.	.			trans	-77.6	149.3	164.6	-58.4	0	0	0	0	109.7	F31 I55 L127 I161	F31-V136 HydrophobicContact CB-CB 4.4Å; F31-V136 HydrophobicContact CB-CG1 4.16Å; F31-V136 HydrophobicContact CB-CG2 4.3Å; F31-V136 HydrophobicContact CD2-CG1 4.48Å; I55-V136 HydrophobicContact CD1-CG1 3.88Å; L127-V136 HydrophobicContact CB-CG2 4.18Å; L127-V136 HydrophobicContact CD2-CG2 3.91Å; L127-V136 PolarHBondContact O-N 3.09Å; V136-I161 HydrophobicContact CG2-CD1 4.05Å; V136-I161 HydrophobicContact CG2-CG2 3.96Å
137	D	97.6	Very high	90.4	Very high	53 Å²	53	45.2 Å²	45.2	28%	0.283	26%	0.263	S	S	.	.	S	Bend	trans	-85.1	-34.4	179.9	-60.5	-68.1	0	0	0	111.5	S28 K29 K162 I391	S28-D137 WeakPolarHBondContact CA-OD2 3.43Å; S28-D137 WeakPolarHBondContact CB-OD2 3.47Å; K29-D137 PolarHBondContact N-OD2 2.87Å; K29-D137 PolarHBondContact O-N 2.99Å; D137-K162 WeakPolarHBondContact O-CD 3.35Å; D137-K162 PolarHBondContact O-N 2.84Å; D137-I391 HydrophobicContact CB-CG2 3.89Å
138	C	98.5	Very high	90.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.2	179.6	-178.3	0	0	0	0	111.4	K29 V30 F31 K162 I391	K29-C138 PolarHBondContact O-N 2.73Å; V30-C138 WeakPolarHBondContact CA-O 3.49Å; V30-C138 HydrophobicContact CG1-CB 4.38Å; V30-C138 HydrophobicContact CG2-CB 4.43Å; F31-C138 PolarHBondContact N-O 3.47Å; C138-K162 CarbonylContact C-O 3.55Å; C138-K162 VanDerWaalsContact CA-O 3.23Å; C138-K162 WeakPolarHBondContact CA-O 3.27Å; C138-K162 HydrophobicContact CB-CB 4.25Å; C138-K162 PolarHBondContact SG-O 3.45Å; C138-K162 VanDerWaalsContact SG-O 3.37Å; C138-I391 HydrophobicContact CB-CG2 3.82Å
139	L	98.6	Very high	90.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.6	169.2	175.9	61.3	0	0	0	109.3	F31 L127 L141 L152 I161 K162 F163 I164	F31-L139 HydrophobicContact CB-CD1 3.95Å; F31-L139 HydrophobicContact CD1-CD1 3.47Å; F31-L139 VanDerWaalsContact CD1-CD1 3.47Å; F31-L139 HydrophobicContact CE1-CD1 4.33Å; F31-L139 HydrophobicContact CG-CD1 4.01Å; L127-L139 HydrophobicContact CD1-CD2 3.98Å; L127-L139 HydrophobicContact CD2-CD1 3.92Å; L139-L141 HydrophobicContact CD1-CD2 3.7Å; L139-L141 HydrophobicContact CD1-CG 4.4Å; L139-L141 HydrophobicContact CD2-CD1 4.43Å; L139-L141 HydrophobicContact CD2-CD2 3.98Å; L139-L141 HydrophobicContact CD2-CG 4.17Å; L139-L141 HydrophobicContact CG-CD2 3.85Å; L139-L141 HydrophobicContact CG-CG 4.04Å; L139-L152 HydrophobicContact CD2-CB 4.27Å; L139-L152 HydrophobicContact CD2-CD2 4.31Å; L139-I161 HydrophobicContact CB-CG2 4.16Å; L139-K162 PolarHBondContact N-O 3.44Å; L139-F163 HydrophobicContact CD2-CD2 4.15Å; L139-F163 HydrophobicContact CD2-CE2 4.18Å; L139-F163 HydrophobicContact CG-CD2 4.45Å; L139-I164 PolarHBondContact O-N 2.98Å
140	V	98.7	Very high	91.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.8	173.1	-171.1	0	0	0	0	108.8	V30 F31 L32 H33 I42 I164 A387	V30-V140 HydrophobicContact CG1-CG2 3.99Å; F31-V140 PolarHBondContact O-N 3.46Å; L32-V140 WeakPolarHBondContact CA-O 3.23Å; L32-V140 HydrophobicContact CD1-CB 3.95Å; L32-V140 HydrophobicContact CD1-CG1 3.9Å; H33-V140 PolarHBondContact N-O 3.04Å; I42-V140 HydrophobicContact CD1-CG1 3.85Å; I42-V140 HydrophobicContact CG2-CG1 4.34Å; V140-I164 CarbonylContact C-O 3.54Å; V140-I164 WeakPolarHBondContact CA-O 3.41Å; V140-I164 HydrophobicContact CG1-CB 4.26Å; V140-I164 HydrophobicContact CG1-CG2 4.21Å; V140-I164 HydrophobicContact CG2-CB 4.29Å; V140-I164 HydrophobicContact CG2-CD1 4.34Å; V140-A387 HydrophobicContact CG2-CB 4.11Å
141	L	98.2	Very high	92.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.7	179.3	-63	-173.2	0	0	0	111.1	H33 L139 C144 A149 L152 F163 I164 Y165 T166	H33-L141 HydrophobicContact CB-CD2 3.57Å; L139-L141 HydrophobicContact CD1-CD2 3.7Å; L139-L141 HydrophobicContact CD1-CG 4.4Å; L139-L141 HydrophobicContact CD2-CD1 4.43Å; L139-L141 HydrophobicContact CD2-CD2 3.98Å; L139-L141 HydrophobicContact CD2-CG 4.17Å; L139-L141 HydrophobicContact CG-CD2 3.85Å; L139-L141 HydrophobicContact CG-CG 4.04Å; L141-C144 HydrophobicContact CB-CB 4.31Å; L141-C144 HydrophobicContact CD1-CB 4.43Å; L141-A149 HydrophobicContact CD1-CB 4.35Å; L141-L152 HydrophobicContact CD1-CB 3.99Å; L141-L152 HydrophobicContact CD1-CD1 3.49Å; L141-L152 VanDerWaalsContact CD1-CD1 3.49Å; L141-L152 HydrophobicContact CD1-CG 4.37Å; L141-L152 HydrophobicContact CD2-CD1 4.18Å; L141-L152 HydrophobicContact CG-CD1 4.5Å; L141-F163 HydrophobicContact CD1-CE2 3.47Å; L141-F163 VanDerWaalsContact CD1-CE2 3.47Å; L141-F163 HydrophobicContact CD1-CZ 3.67Å; L141-F163 HydrophobicContact CG-CE2 3.95Å; L141-F163 HydrophobicContact CG-CZ 4.31Å; L141-I164 PolarHBondContact N-O 3.26Å; L141-Y165 HydrophobicContact CB-CD2 4.03Å; L141-Y165 WeakPolarHBondContact O-CA 3.36Å; L141-T166 PolarHBondContact O-N 2.56Å
142	T	97.6	Very high	93.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.195	C	C	.	.			trans	-123.1	160.1	164.2	72.7	0	0	0	0	109.1	L32 H33 G34 V38 I42 C144 T166	L32-T142 HydrophobicContact CD1-CG2 4.37Å; H33-T142 PolarHBondContact CD2-O 3.22Å; H33-T142 VanDerWaalsContact CD2-O 3.27Å; H33-T142 PolarHBondContact O-N 2.94Å; H33-T142 PolarHBondContact O-OG1 3.11Å; G34-T142 VanDerWaalsContact CA-OG1 3.31Å; G34-T142 WeakPolarHBondContact CA-OG1 3.47Å; G34-T142 PolarHBondContact O-OG1 3.38Å; G34-T142 VanDerWaalsContact O-OG1 3.04Å; V38-T142 HydrophobicContact CB-CG2 4.44Å; V38-T142 HydrophobicContact CG1-CG2 4.06Å; I42-T142 HydrophobicContact CD1-CG2 3.77Å; T142-C144 PolarHBondContact O-N 3.11Å; T142-C144 VanDerWaalsContact O-N 3.08Å; T142-T166 WeakPolarHBondContact CA-O 3.47Å; T142-T166 HydrophobicContact CG2-CG2 4.08Å
143	K	90.7	Very high	94.3	Very high	90 Å²	90	33.1 Å²	33.1	39%	0.391	18%	0.179	S	C	.	.	S	Bend	trans	54.2	32.3	176.7	-63.6	-71.9	168	-157.2	0	115	D167 Q371	K143-D167 WeakPolarHBondContact CA-OD2 3.36Å; K143-D167 VanDerWaalsContact CD-OD2 3.28Å; K143-D167 WeakPolarHBondContact CD-OD2 3.29Å; K143-D167 WeakPolarHBondContact CE-OD1 3.4Å; K143-D167 PolarHBondContact N-OD2 3.48Å; K143-D167 IonicContact NZ-OD1 2.78Å; K143-D167 PolarHBondContact NZ-OD1 3.4Å; K143-D167 IonicContact NZ-OD2 2.77Å; K143-Q371 VanDerWaalsContact CE-NE2 3.29Å
144	C	92.7	Very high	95.4	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.034	15%	0.154	C	C	.	.			trans	-113.1	142	-178.4	-177.7	0	0	0	0	111	T109 L141 T142 Q148 Y165	T109-C144 HydrophobicContact CG2-CB 4.22Å; L141-C144 HydrophobicContact CB-CB 4.31Å; L141-C144 HydrophobicContact CD1-CB 4.43Å; T142-C144 PolarHBondContact O-N 3.11Å; T142-C144 VanDerWaalsContact O-N 3.08Å; C144-Q148 VanDerWaalsContact SG-CB 3.5Å; C144-Y165 HydrophobicContact CB-CE2 4.13Å; C144-Y165 WeakPolarHBondContact O-CE2 3.15Å; C144-Y165 PolarHBondContact O-OH 3.18Å
145	S	93	Very high	96	Very high	39 Å²	39	28.1 Å²	28.1	27%	0.273	14%	0.139	S	C	.	.			trans	-68.4	150.1	176.9	73.8	0	0	0	0	111.4	Q147 Q148 A149	S145-Q147 PolarHBondContact O-N 3.38Å; S145-Q148 PolarHBondContact O-N 2.96Å; S145-Q148 WeakPolarHBondContact OG-CB 3.47Å; S145-Q148 WeakPolarHBondContact OG-CG 3.3Å; S145-Q148 PolarHBondContact OG-N 3.29Å; S145-Q148 PolarHBondContact OG-OE1 3.47Å; S145-A149 WeakPolarHBondContact O-CB 3.45Å; S145-A149 PolarHBondContact O-N 2.73Å
146	L	93.8	Very high	96.2	Very high	26 Å²	26	24.8 Å²	24.8	14%	0.136	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-36.2	179.7	-174.5	62.1	0	0	0	112.8	T150 M286 I290 Y313 L314 M317	L146-T150 WeakPolarHBondContact O-CB 3.33Å; L146-T150 PolarHBondContact O-N 2.87Å; L146-T150 PolarHBondContact O-OG1 2.9Å; L146-M286 HydrophobicContact CD1-CG 4.49Å; L146-M286 HydrophobicContact CD1-SD 3.82Å; L146-I290 HydrophobicContact CD1-CD1 3.79Å; L146-I290 HydrophobicContact CD1-CG1 4.21Å; L146-I290 HydrophobicContact CD2-CD1 4.04Å; L146-I290 HydrophobicContact CD2-CG1 4.42Å; L146-I290 HydrophobicContact CG-CD1 3.93Å; L146-Y313 HydrophobicContact CD1-CE1 4.19Å; L146-L314 HydrophobicContact CD2-CD2 3.85Å; L146-M317 HydrophobicContact CB-CB 4.37Å; L146-M317 HydrophobicContact CB-CG 4.11Å; L146-M317 HydrophobicContact CB-SD 4.48Å; L146-M317 HydrophobicContact CD2-CB 4.27Å; L146-M317 HydrophobicContact CD2-CG 4.25Å
147	Q	92.9	Very high	96.1	Very high	126 Å²	126	28 Å²	28	59%	0.589	14%	0.137	S	C	*	.	H	α-helix	trans	-66.4	-48.4	178.7	-66.2	170.7	-6	0	0	111.7	S145 T150 L151	S145-Q147 PolarHBondContact O-N 3.38Å; Q147-T150 PolarHBondContact O-N 3.3Å; Q147-L151 WeakPolarHBondContact O-CG 3.38Å; Q147-L151 PolarHBondContact O-N 3.4Å; Q147-L151 VanDerWaalsContact O-N 3.14Å
148	Q	94.8	Very high	95.9	Very high	55 Å²	55	29 Å²	29	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-65.8	-43.5	177.5	-71.6	159.4	-34.7	0	0	111.1	T109 I111 C144 S145 T150 L151 L152	T109-Q148 VanDerWaalsContact O-CD 3.29Å; T109-Q148 WeakPolarHBondContact O-CG 3.45Å; T109-Q148 PolarHBondContact O-NE2 2.89Å; I111-Q148 HydrophobicContact CG2-CB 4.21Å; I111-Q148 HydrophobicContact CG2-CG 4.2Å; C144-Q148 VanDerWaalsContact SG-CB 3.5Å; S145-Q148 PolarHBondContact O-N 2.96Å; S145-Q148 WeakPolarHBondContact OG-CB 3.47Å; S145-Q148 WeakPolarHBondContact OG-CG 3.3Å; S145-Q148 PolarHBondContact OG-N 3.29Å; S145-Q148 PolarHBondContact OG-OE1 3.47Å; Q148-T150 VanDerWaalsContact C-N 3.31Å; Q148-T150 PolarHBondContact O-N 2.82Å; Q148-L151 PolarHBondContact O-N 3.43Å; Q148-L152 WeakPolarHBondContact O-CB 3.44Å; Q148-L152 WeakPolarHBondContact O-CG 3.21Å; Q148-L152 PolarHBondContact O-N 3.35Å
149	A	96.8	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-43.2	176.2	0	0	0	0	0	111.4	L141 S145 L151 L152 D153 F163 Y165 M286	L141-A149 HydrophobicContact CD1-CB 4.35Å; S145-A149 WeakPolarHBondContact O-CB 3.45Å; S145-A149 PolarHBondContact O-N 2.73Å; A149-L151 PolarHBondContact O-N 2.91Å; A149-L152 PolarHBondContact O-N 3.12Å; A149-D153 VanDerWaalsContact O-CB 3.28Å; A149-D153 WeakPolarHBondContact O-CB 3.43Å; A149-D153 PolarHBondContact O-N 3.48Å; A149-F163 HydrophobicContact CB-CZ 4.35Å; A149-F163 WeakPolarHBondContact O-CZ 3.32Å; A149-Y165 HydrophobicContact CB-CD2 3.68Å; A149-Y165 HydrophobicContact CB-CE2 3.85Å; A149-Y165 HydrophobicContact CB-CG 4.33Å; A149-M286 HydrophobicContact CB-CE 4.22Å; A149-M286 HydrophobicContact CB-SD 3.81Å
150	T	96.6	Very high	95.5	Very high	16 Å²	16	36.4 Å²	36.4	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-40.2	176.6	-56.1	0	0	0	0	112.2	L146 Q147 Q148 L154 L287	L146-T150 WeakPolarHBondContact O-CB 3.33Å; L146-T150 PolarHBondContact O-N 2.87Å; L146-T150 PolarHBondContact O-OG1 2.9Å; Q147-T150 PolarHBondContact O-N 3.3Å; Q148-T150 VanDerWaalsContact C-N 3.31Å; Q148-T150 PolarHBondContact O-N 2.82Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.21Å; T150-L154 VanDerWaalsContact O-N 3.16Å; T150-L287 HydrophobicContact CG2-CB 3.8Å; T150-L287 HydrophobicContact CG2-CD1 4.17Å
151	L	96.5	Very high	95.4	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-68.9	-39.7	176.9	-69.1	170	0	0	0	112.3	I111 C113 Q147 Q148 A149 F155	I111-L151 HydrophobicContact CD1-CB 3.85Å; I111-L151 HydrophobicContact CG1-CB 4.45Å; I111-L151 HydrophobicContact CG2-CB 4.41Å; I111-L151 HydrophobicContact CG2-CD1 4.46Å; C113-L151 HydrophobicContact CB-CD1 3.91Å; Q147-L151 WeakPolarHBondContact O-CG 3.38Å; Q147-L151 PolarHBondContact O-N 3.4Å; Q147-L151 VanDerWaalsContact O-N 3.14Å; Q148-L151 PolarHBondContact O-N 3.43Å; A149-L151 PolarHBondContact O-N 2.91Å; L151-F155 PolarHBondContact O-N 3Å
152	L	97.5	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.6	-37.9	177.6	-76	164.2	0	0	0	111.7	T109 I111 L124 L127 L139 L141 Q148 A149 F155 C156 F163	T109-L152 HydrophobicContact CG2-CD1 4.46Å; I111-L152 HydrophobicContact CD1-CD2 3.88Å; I111-L152 HydrophobicContact CD1-CG 4.04Å; I111-L152 HydrophobicContact CG2-CD1 4.49Å; I111-L152 HydrophobicContact CG2-CG 4.23Å; L124-L152 HydrophobicContact CD2-CD2 3.58Å; L127-L152 HydrophobicContact CD1-CD2 4.26Å; L139-L152 HydrophobicContact CD2-CB 4.27Å; L139-L152 HydrophobicContact CD2-CD2 4.31Å; L141-L152 HydrophobicContact CD1-CB 3.99Å; L141-L152 HydrophobicContact CD1-CD1 3.49Å; L141-L152 VanDerWaalsContact CD1-CD1 3.49Å; L141-L152 HydrophobicContact CD1-CG 4.37Å; L141-L152 HydrophobicContact CD2-CD1 4.18Å; L141-L152 HydrophobicContact CG-CD1 4.5Å; Q148-L152 WeakPolarHBondContact O-CB 3.44Å; Q148-L152 WeakPolarHBondContact O-CG 3.21Å; Q148-L152 PolarHBondContact O-N 3.35Å; A149-L152 PolarHBondContact O-N 3.12Å; L152-F155 WeakPolarHBondContact O-CB 3.28Å; L152-F155 PolarHBondContact O-N 3.39Å; L152-C156 WeakPolarHBondContact O-CB 3.3Å; L152-C156 PolarHBondContact O-N 3.38Å; L152-C156 PolarHBondContact O-SG 3.09Å; L152-F163 HydrophobicContact CB-CE2 4.01Å
153	D	97.9	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-52.5	171.9	178.4	64.7	0	0	0	111.2	A149 F155 C156 R157 F163 D178 T285 M286	A149-D153 VanDerWaalsContact O-CB 3.28Å; A149-D153 WeakPolarHBondContact O-CB 3.43Å; A149-D153 PolarHBondContact O-N 3.48Å; D153-F155 VanDerWaalsContact C-N 3.29Å; D153-F155 PolarHBondContact O-N 3.48Å; D153-C156 WeakPolarHBondContact O-CB 3.45Å; D153-C156 PolarHBondContact O-N 3.1Å; D153-C156 VanDerWaalsContact O-N 3.1Å; D153-R157 WeakPolarHBondContact O-CB 3.44Å; D153-R157 PolarHBondContact O-N 3.05Å; D153-F163 HydrophobicContact CB-CD1 3.95Å; D153-F163 HydrophobicContact CB-CD2 4.33Å; D153-F163 HydrophobicContact CB-CE1 3.85Å; D153-F163 HydrophobicContact CB-CE2 4.21Å; D153-F163 HydrophobicContact CB-CG 4.19Å; D153-F163 HydrophobicContact CB-CZ 3.96Å; D153-F163 VanDerWaalsContact OD1-CD1 3.26Å; D153-F163 WeakPolarHBondContact OD1-CD1 3.46Å; D153-D178 VanDerWaalsContact OD1-CB 3.26Å; D153-D178 WeakPolarHBondContact OD1-CB 2.98Å; D153-T285 WeakPolarHBondContact OD2-CA 3.4Å; D153-T285 WeakPolarHBondContact OD2-CB 3.37Å; D153-M286 HydrophobicContact CB-CB 4.15Å; D153-M286 WeakPolarHBondContact OD2-CB 3.46Å; D153-M286 PolarHBondContact OD2-N 3.36Å
154	L	97	Very high	95.9	Very high	57 Å²	57	33.1 Å²	33.1	30%	0.298	18%	0.176	S	C	.	.	H	α-helix	trans	-58.6	-39.4	175.6	-69.5	172.3	0	0	0	112.7	L115 T150 A158 T285	L115-L154 HydrophobicContact CD2-CB 4.45Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.21Å; T150-L154 VanDerWaalsContact O-N 3.16Å; L154-A158 PolarHBondContact O-N 3.47Å; L154-A158 VanDerWaalsContact O-N 3.14Å; L154-T285 HydrophobicContact CD2-CG2 4.04Å
155	F	96.2	Very high	96.2	Very high	22 Å²	22	32.9 Å²	32.9	10%	0.096	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-45.3	174.5	178.5	-95.3	0	0	0	112.1	L115 L124 L127 V128 L151 L152 D153 R157 A158 H159 I161	L115-F155 HydrophobicContact CD1-CB 3.93Å; L115-F155 HydrophobicContact CD1-CD2 4.12Å; L115-F155 HydrophobicContact CD1-CG 4.46Å; L115-F155 HydrophobicContact CD2-CB 4.18Å; L124-F155 HydrophobicContact CB-CE1 4.16Å; L124-F155 HydrophobicContact CB-CE2 4.24Å; L124-F155 HydrophobicContact CB-CZ 3.85Å; L124-F155 HydrophobicContact CD1-CB 4.47Å; L124-F155 HydrophobicContact CD1-CD1 4.06Å; L124-F155 HydrophobicContact CD1-CD2 3.44Å; L124-F155 VanDerWaalsContact CD1-CD2 3.44Å; L124-F155 HydrophobicContact CD1-CE1 4.14Å; L124-F155 HydrophobicContact CD1-CE2 3.51Å; L124-F155 HydrophobicContact CD1-CG 3.72Å; L124-F155 HydrophobicContact CD1-CZ 3.88Å; L124-F155 HydrophobicContact CG-CZ 4.47Å; L127-F155 HydrophobicContact CB-CE1 4.25Å; L127-F155 HydrophobicContact CD1-CD1 4.33Å; L127-F155 HydrophobicContact CD1-CE1 4.18Å; V128-F155 HydrophobicContact CB-CZ 4.4Å; V128-F155 HydrophobicContact CG2-CE1 4.05Å; V128-F155 HydrophobicContact CG2-CZ 4.02Å; L151-F155 PolarHBondContact O-N 3Å; L152-F155 WeakPolarHBondContact O-CB 3.28Å; L152-F155 PolarHBondContact O-N 3.39Å; D153-F155 VanDerWaalsContact C-N 3.29Å; D153-F155 PolarHBondContact O-N 3.48Å; F155-R157 VanDerWaalsContact C-N 3.35Å; F155-A158 PolarHBondContact O-N 2.79Å; F155-H159 AromaticContact CD2-CE1 3.62Å; F155-H159 AromaticContact CD2-ND1 3.75Å; F155-H159 AromaticContact CE1-ND1 3.93Å; F155-H159 AromaticContact CE2-CE1 3.18Å; F155-H159 WeakPolarHBondContact CE2-CE1 3.27Å; F155-H159 AromaticContact CE2-ND1 3.55Å; F155-H159 AromaticContact CE2-NE2 3.95Å; F155-H159 AromaticContact CZ-CE1 3.58Å; F155-H159 AromaticContact CZ-ND1 3.64Å; F155-H159 PolarHBondContact O-N 2.96Å; F155-H159 PolarHBondContact O-ND1 3.4Å; F155-I161 HydrophobicContact CE1-CD1 4.45Å
156	C	97	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-44.5	178.6	-72.4	0	0	0	0	110.9	L152 D153 A158 H159 D160 I161 F163	L152-C156 WeakPolarHBondContact O-CB 3.3Å; L152-C156 PolarHBondContact O-N 3.38Å; L152-C156 PolarHBondContact O-SG 3.09Å; D153-C156 WeakPolarHBondContact O-CB 3.45Å; D153-C156 PolarHBondContact O-N 3.1Å; D153-C156 VanDerWaalsContact O-N 3.1Å; C156-A158 VanDerWaalsContact C-N 3.3Å; C156-A158 PolarHBondContact O-N 2.95Å; C156-H159 CarbonylContact O-C 3.55Å; C156-H159 PolarHBondContact O-N 2.73Å; C156-H159 VanDerWaalsContact O-N 3.08Å; C156-D160 PolarHBondContact O-N 2.91Å; C156-I161 CarbonylContact C-O 3.52Å; C156-I161 HydrophobicContact CB-CB 3.89Å; C156-I161 HydrophobicContact CB-CG2 4.29Å; C156-I161 WeakPolarHBondContact CB-O 3.49Å; C156-I161 PolarHBondContact O-N 2.78Å; C156-F163 HydrophobicContact CB-CB 4.16Å; C156-F163 HydrophobicContact CB-CD2 4.33Å
157	R	95	Very high	96.6	Very high	71 Å²	71	30 Å²	30	27%	0.268	16%	0.156	S	C	.	.	H	α-helix	trans	-55	-43.8	173.9	-169	69.9	171	-135.8	-6.7	112.1	D153 F155 H159 D178 G180 S181 F283 T285	D153-R157 WeakPolarHBondContact O-CB 3.44Å; D153-R157 PolarHBondContact O-N 3.05Å; F155-R157 VanDerWaalsContact C-N 3.35Å; R157-H159 VanDerWaalsContact C-N 3.28Å; R157-H159 PolarHBondContact O-N 3.36Å; R157-D178 IonicContact CZ-OD1 2.79Å; R157-D178 IonicContact CZ-OD2 3.87Å; R157-D178 VanDerWaalsContact NH1-CG 3.28Å; R157-D178 IonicContact NH1-OD1 2.84Å; R157-D178 PolarHBondContact NH1-OD1 3.12Å; R157-D178 IonicContact NH1-OD2 3.04Å; R157-D178 PolarHBondContact NH1-OD2 3.35Å; R157-D178 VanDerWaalsContact NH1-OD2 3.09Å; R157-G180 VanDerWaalsContact CZ-C 3.44Å; R157-G180 VanDerWaalsContact NH1-C 3.29Å; R157-S181 VanDerWaalsContact CZ-N 3.27Å; R157-S181 VanDerWaalsContact NH2-CA 3.33Å; R157-F283 VanDerWaalsContact CZ-O 3.31Å; R157-F283 PolarHBondContact NH1-O 3.09Å; R157-F283 PolarHBondContact NH2-O 3.31Å; R157-T285 HydrophobicContact CG-CG2 4.35Å
158	A	94	Very high	96.8	Very high	75 Å²	75	24 Å²	24	62%	0.62	13%	0.128	S	C	*	.	H	α-helix	trans	-68.7	-22.2	179.5	0	0	0	0	0	114.2	L154 F155 C156	L154-A158 PolarHBondContact O-N 3.47Å; L154-A158 VanDerWaalsContact O-N 3.14Å; F155-A158 PolarHBondContact O-N 2.79Å; C156-A158 VanDerWaalsContact C-N 3.3Å; C156-A158 PolarHBondContact O-N 2.95Å
159	H	93.8	Very high	96.9	Very high	64 Å²	64	21.6 Å²	21.6	30%	0.296	12%	0.116	S	C	.	.	H	α-helix	trans	-112.2	7.3	-177.1	-64.7	83.8	0	0	0	113.6	V128 K135 F155 C156 R157 I161	V128-H159 HydrophobicContact CG2-CB 4.15Å; K135-H159 PolarHBondContact NZ-O 2.89Å; F155-H159 AromaticContact CD2-CE1 3.62Å; F155-H159 AromaticContact CD2-ND1 3.75Å; F155-H159 AromaticContact CE1-ND1 3.93Å; F155-H159 AromaticContact CE2-CE1 3.18Å; F155-H159 WeakPolarHBondContact CE2-CE1 3.27Å; F155-H159 AromaticContact CE2-ND1 3.55Å; F155-H159 AromaticContact CE2-NE2 3.95Å; F155-H159 AromaticContact CZ-CE1 3.58Å; F155-H159 AromaticContact CZ-ND1 3.64Å; F155-H159 PolarHBondContact O-N 2.96Å; F155-H159 PolarHBondContact O-ND1 3.4Å; C156-H159 CarbonylContact O-C 3.55Å; C156-H159 PolarHBondContact O-N 2.73Å; C156-H159 VanDerWaalsContact O-N 3.08Å; R157-H159 VanDerWaalsContact C-N 3.28Å; R157-H159 PolarHBondContact O-N 3.36Å; H159-I161 VanDerWaalsContact C-N 3.28Å; H159-I161 HydrophobicContact CB-CD1 4.11Å; H159-I161 HydrophobicContact CB-CG1 4.09Å; H159-I161 PolarHBondContact O-N 2.92Å
160	D	94.9	Very high	96.8	Very high	90 Å²	90	21.6 Å²	21.6	48%	0.481	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	44.9	-175	176.6	51.4	0	0	0	112	K135 C156 K162	K135-D160 PolarHBondContact NZ-O 3.13Å; K135-D160 IonicContact NZ-OD2 2.97Å; K135-D160 PolarHBondContact NZ-OD2 3.09Å; C156-D160 PolarHBondContact O-N 2.91Å; D160-K162 PolarHBondContact O-NZ 3.16Å; D160-K162 IonicContact OD1-NZ 3.6Å; D160-K162 PolarHBondContact OD1-NZ 3.43Å; D160-K162 IonicContact OD2-NZ 3.83Å; D160-K162 PolarHBondContact OD2-NZ 2.95Å
161	I	97.6	Very high	96.8	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	11%	0.112	C	C	.	.			trans	-100.6	135.6	169.9	-58.4	176.2	0	0	0	107.3	L127 V128 K135 V136 L139 F155 C156 H159	L127-I161 HydrophobicContact CB-CD1 4.34Å; V128-I161 HydrophobicContact CG2-CD1 3.66Å; K135-I161 HydrophobicContact CD-CG1 4.23Å; V136-I161 HydrophobicContact CG2-CD1 4.05Å; V136-I161 HydrophobicContact CG2-CG2 3.96Å; L139-I161 HydrophobicContact CB-CG2 4.16Å; F155-I161 HydrophobicContact CE1-CD1 4.45Å; C156-I161 CarbonylContact C-O 3.52Å; C156-I161 HydrophobicContact CB-CB 3.89Å; C156-I161 HydrophobicContact CB-CG2 4.29Å; C156-I161 WeakPolarHBondContact CB-O 3.49Å; C156-I161 PolarHBondContact O-N 2.78Å; H159-I161 VanDerWaalsContact C-N 3.28Å; H159-I161 HydrophobicContact CB-CD1 4.11Å; H159-I161 HydrophobicContact CB-CG1 4.09Å; H159-I161 PolarHBondContact O-N 2.92Å
162	K	98.5	Very high	96.8	Very high	17 Å²	17	19.7 Å²	19.7	7%	0.074	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.4	-175.3	-70.2	45.9	167.2	172.5	0	107.8	D137 C138 L139 D160 F179 A390	D137-K162 WeakPolarHBondContact O-CD 3.35Å; D137-K162 PolarHBondContact O-N 2.84Å; C138-K162 CarbonylContact C-O 3.55Å; C138-K162 VanDerWaalsContact CA-O 3.23Å; C138-K162 WeakPolarHBondContact CA-O 3.27Å; C138-K162 HydrophobicContact CB-CB 4.25Å; C138-K162 PolarHBondContact SG-O 3.45Å; C138-K162 VanDerWaalsContact SG-O 3.37Å; L139-K162 PolarHBondContact N-O 3.44Å; D160-K162 PolarHBondContact O-NZ 3.16Å; D160-K162 IonicContact OD1-NZ 3.6Å; D160-K162 PolarHBondContact OD1-NZ 3.43Å; D160-K162 IonicContact OD2-NZ 3.83Å; D160-K162 PolarHBondContact OD2-NZ 2.95Å; K162-F179 HydrophobicContact CB-CD1 3.82Å; K162-F179 HydrophobicContact CB-CE1 4.37Å; K162-F179 HydrophobicContact CB-CG 4.49Å; K162-F179 HydrophobicContact CG-CB 4.26Å; K162-F179 HydrophobicContact CG-CD1 4.21Å; K162-F179 HydrophobicContact CG-CG 4.38Å; K162-A390 HydrophobicContact CB-CB 3.73Å; K162-A390 HydrophobicContact CG-CB 3.94Å
163	F	98.7	Very high	96.7	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.6	-168.6	-177.5	-93.9	0	0	0	111.8	L139 L141 A149 L152 D153 C156 F176 D178 M286	L139-F163 HydrophobicContact CD2-CD2 4.15Å; L139-F163 HydrophobicContact CD2-CE2 4.18Å; L139-F163 HydrophobicContact CG-CD2 4.45Å; L141-F163 HydrophobicContact CD1-CE2 3.47Å; L141-F163 VanDerWaalsContact CD1-CE2 3.47Å; L141-F163 HydrophobicContact CD1-CZ 3.67Å; L141-F163 HydrophobicContact CG-CE2 3.95Å; L141-F163 HydrophobicContact CG-CZ 4.31Å; A149-F163 HydrophobicContact CB-CZ 4.35Å; A149-F163 WeakPolarHBondContact O-CZ 3.32Å; L152-F163 HydrophobicContact CB-CE2 4.01Å; D153-F163 HydrophobicContact CB-CD1 3.95Å; D153-F163 HydrophobicContact CB-CD2 4.33Å; D153-F163 HydrophobicContact CB-CE1 3.85Å; D153-F163 HydrophobicContact CB-CE2 4.21Å; D153-F163 HydrophobicContact CB-CG 4.19Å; D153-F163 HydrophobicContact CB-CZ 3.96Å; D153-F163 VanDerWaalsContact OD1-CD1 3.26Å; D153-F163 WeakPolarHBondContact OD1-CD1 3.46Å; C156-F163 HydrophobicContact CB-CB 4.16Å; C156-F163 HydrophobicContact CB-CD2 4.33Å; F163-F176 HydrophobicContact CD1-CD1 4.11Å; F163-F176 HydrophobicContact CD1-CE1 4.14Å; F163-F176 HydrophobicContact CE1-CD1 4.05Å; F163-F176 HydrophobicContact CE1-CE1 4.31Å; F163-D178 HydrophobicContact CB-CB 4.39Å; F163-D178 PolarHBondContact N-O 3.49Å; F163-D178 PolarHBondContact O-N 3.34Å; F163-M286 HydrophobicContact CE1-CE 3.81Å; F163-M286 HydrophobicContact CZ-CE 4.41Å
164	I	98.8	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.1	173.9	-58.8	173.6	0	0	0	108.6	L139 V140 L141 F176 F179 A383 E386 A387	L139-I164 PolarHBondContact O-N 2.98Å; V140-I164 CarbonylContact C-O 3.54Å; V140-I164 WeakPolarHBondContact CA-O 3.41Å; V140-I164 HydrophobicContact CG1-CB 4.26Å; V140-I164 HydrophobicContact CG1-CG2 4.21Å; V140-I164 HydrophobicContact CG2-CB 4.29Å; V140-I164 HydrophobicContact CG2-CD1 4.34Å; L141-I164 PolarHBondContact N-O 3.26Å; I164-F176 WeakPolarHBondContact CA-O 3.45Å; I164-F179 HydrophobicContact CD1-CE1 4.13Å; I164-F179 HydrophobicContact CD1-CZ 4.19Å; I164-F179 HydrophobicContact CG1-CE1 3.75Å; I164-F179 HydrophobicContact CG1-CZ 4.21Å; I164-A383 HydrophobicContact CG2-CB 4.32Å; I164-E386 HydrophobicContact CD1-CB 3.78Å; I164-A387 VanDerWaalsContact CD1-CA 3.46Å; I164-A387 HydrophobicContact CD1-CB 3.78Å
165	Y	98.6	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.2	173.7	172.2	-95.1	0	0	0	109.9	L141 C144 A149 Y169 L175 F176 M286 Y313 W401	L141-Y165 HydrophobicContact CB-CD2 4.03Å; L141-Y165 WeakPolarHBondContact O-CA 3.36Å; C144-Y165 HydrophobicContact CB-CE2 4.13Å; C144-Y165 WeakPolarHBondContact O-CE2 3.15Å; C144-Y165 PolarHBondContact O-OH 3.18Å; A149-Y165 HydrophobicContact CB-CD2 3.68Å; A149-Y165 HydrophobicContact CB-CE2 3.85Å; A149-Y165 HydrophobicContact CB-CG 4.33Å; Y165-Y169 PolarHBondContact OH-OH 3.36Å; Y165-L175 CarbonylContact O-C 3.56Å; Y165-L175 WeakPolarHBondContact O-CA 3.48Å; Y165-F176 PolarHBondContact N-O 2.91Å; Y165-F176 PolarHBondContact O-N 3.1Å; Y165-M286 HydrophobicContact CD1-CE 3.97Å; Y165-M286 HydrophobicContact CG-CE 3.89Å; Y165-Y313 VanDerWaalsContact CE1-OH 3.25Å; Y165-Y313 WeakPolarHBondContact CE1-OH 3.37Å; Y165-Y313 PolarHBondContact OH-OH 3.41Å; Y165-W401 HydrophobicContact CD1-CH2 4.44Å; Y165-W401 HydrophobicContact CD1-CZ3 4.46Å
166	T	98.5	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.4	177.9	-176.6	0	0	0	0	111.6	V38 I42 L141 T142 N174 F379 A383	V38-T166 HydrophobicContact CG1-CG2 3.92Å; I42-T166 HydrophobicContact CD1-CG2 3.85Å; L141-T166 PolarHBondContact O-N 2.56Å; T142-T166 WeakPolarHBondContact CA-O 3.47Å; T142-T166 HydrophobicContact CG2-CG2 4.08Å; T166-N174 WeakPolarHBondContact CA-O 3.45Å; T166-N174 WeakPolarHBondContact CB-O 3.17Å; T166-N174 PolarHBondContact OG1-O 2.95Å; T166-F379 WeakPolarHBondContact OG1-CD1 3.33Å; T166-A383 HydrophobicContact CG2-CB 3.77Å
167	D	96.9	Very high	97	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	172.4	167.2	-148.5	-25.4	0	0	0	110.9	K143 Y169 G173 N174	K143-D167 WeakPolarHBondContact CA-OD2 3.36Å; K143-D167 VanDerWaalsContact CD-OD2 3.28Å; K143-D167 WeakPolarHBondContact CD-OD2 3.29Å; K143-D167 WeakPolarHBondContact CE-OD1 3.4Å; K143-D167 PolarHBondContact N-OD2 3.48Å; K143-D167 IonicContact NZ-OD1 2.78Å; K143-D167 PolarHBondContact NZ-OD1 3.4Å; K143-D167 IonicContact NZ-OD2 2.77Å; D167-Y169 HydrophobicContact CB-CE2 4.1Å; D167-G173 VanDerWaalsContact O-CA 3.23Å; D167-G173 WeakPolarHBondContact O-CA 3.42Å; D167-N174 PolarHBondContact N-O 3.08Å; D167-N174 PolarHBondContact N-OD1 3.46Å; D167-N174 VanDerWaalsContact N-OD1 3.13Å; D167-N174 PolarHBondContact O-N 3.13Å; D167-N174 PolarHBondContact O-OD1 3.25Å
168	I	97.2	Very high	97.2	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.7	173	71.1	167.6	0	0	0	110.8	V38 F172 Q371 L375 C376 F379	V38-I168 HydrophobicContact CG2-CB 4.41Å; V38-I168 HydrophobicContact CG2-CD1 4.46Å; V38-I168 HydrophobicContact CG2-CG1 3.98Å; V38-I168 HydrophobicContact CG2-CG2 3.81Å; I168-F172 WeakPolarHBondContact CA-O 3.41Å; I168-Q371 HydrophobicContact CD1-CB 3.87Å; I168-Q371 HydrophobicContact CD1-CG 4.13Å; I168-Q371 HydrophobicContact CG1-CB 4.4Å; I168-Q371 HydrophobicContact CG1-CG 4.1Å; I168-L375 HydrophobicContact CD1-CB 4.05Å; I168-L375 HydrophobicContact CG2-CB 4Å; I168-C376 WeakPolarHBondContact CD1-SG 3.5Å; I168-F379 HydrophobicContact CG2-CB 4.5Å; I168-F379 HydrophobicContact CG2-CD2 3.64Å; I168-F379 HydrophobicContact CG2-CE2 4.26Å; I168-F379 HydrophobicContact CG2-CG 4.29Å
169	Y	96	Very high	97.3	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.02	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	88.9	-179.1	-56.3	-81.1	0	0	0	108.1	Y165 D167 V171 F172 Y313 L316 M317 Y326	Y165-Y169 PolarHBondContact OH-OH 3.36Å; D167-Y169 HydrophobicContact CB-CE2 4.1Å; Y169-V171 PolarHBondContact O-N 3.28Å; Y169-V171 VanDerWaalsContact O-N 3.15Å; Y169-F172 HydrophobicContact CD2-CE2 4.49Å; Y169-F172 HydrophobicContact CD2-CZ 4.28Å; Y169-F172 HydrophobicContact CG-CZ 4.42Å; Y169-F172 PolarHBondContact N-O 3.31Å; Y169-F172 WeakPolarHBondContact O-CD1 3.47Å; Y169-F172 WeakPolarHBondContact O-CE1 3.44Å; Y169-F172 PolarHBondContact O-N 3.26Å; Y169-Y313 HydrophobicContact CD2-CD2 4.28Å; Y169-Y313 HydrophobicContact CD2-CE2 4.45Å; Y169-Y313 AromaticContact CE2-CD2 3.82Å; Y169-Y313 HydrophobicContact CE2-CD2 3.82Å; Y169-Y313 AromaticContact CE2-CE2 3.56Å; Y169-Y313 HydrophobicContact CE2-CE2 3.56Å; Y169-Y313 AromaticContact CZ-CE2 3.88Å; Y169-L316 HydrophobicContact CD1-CD2 3.7Å; Y169-L316 HydrophobicContact CD2-CD2 4.3Å; Y169-L316 HydrophobicContact CE1-CD2 4.47Å; Y169-L316 HydrophobicContact CG-CD2 3.6Å; Y169-M317 HydrophobicContact CD1-CE 4.24Å; Y169-M317 HydrophobicContact CE1-CE 3.54Å; Y169-M317 HydrophobicContact CE2-CE 4.22Å; Y169-Y326 HydrophobicContact CD1-CE1 4.38Å; Y169-Y326 HydrophobicContact CD1-CE2 4.47Å; Y169-Y326 HydrophobicContact CE1-CE1 4.24Å; Y169-Y326 HydrophobicContact CE1-CE2 4.36Å; Y169-Y326 AromaticContact CE1-CZ 3.78Å; Y169-Y326 WeakPolarHBondContact CE1-OH 3.17Å
170	G	95.2	Very high	97.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	67.5	-111.1	-173.4	0	0	0	0	0	112.7	A367 G370	G170-A367 WeakPolarHBondContact CA-O 3.42Å; G170-G370 WeakPolarHBondContact CA-O 3.4Å; G170-G370 PolarHBondContact N-O 3.13Å
171	V	96.7	Very high	97.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	12.2	-174.1	-55.4	0	0	0	0	113.6	Y169 L364 A367 L372 H405 C406 A407 I409 V410 C435	Y169-V171 PolarHBondContact O-N 3.28Å; Y169-V171 VanDerWaalsContact O-N 3.15Å; V171-L364 HydrophobicContact CG2-CD2 3.72Å; V171-A367 HydrophobicContact CG1-CB 3.9Å; V171-A367 HydrophobicContact CG2-CB 4.05Å; V171-L372 HydrophobicContact CB-CD1 4.14Å; V171-L372 HydrophobicContact CG1-CD1 3.84Å; V171-L372 HydrophobicContact CG1-CG 4.31Å; V171-H405 CarbonylContact O-C 3.2Å; V171-H405 VanDerWaalsContact O-CA 3.24Å; V171-H405 WeakPolarHBondContact O-CA 3.31Å; V171-C406 PolarHBondContact O-N 2.89Å; V171-A407 HydrophobicContact CG2-CB 4.36Å; V171-I409 HydrophobicContact CG1-CD1 4.24Å; V171-I409 HydrophobicContact CG1-CG1 4.18Å; V171-V410 HydrophobicContact CB-CG2 4.14Å; V171-V410 HydrophobicContact CG1-CG2 3.48Å; V171-V410 VanDerWaalsContact CG1-CG2 3.48Å; V171-V410 HydrophobicContact CG2-CG2 3.66Å; V171-C435 HydrophobicContact CG1-CB 3.84Å
172	F	96.3	Very high	97.1	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.9	169.9	79.7	-71.1	0	0	0	111.6	I168 Y169 T312 L316 L364 I404 H405	I168-F172 WeakPolarHBondContact CA-O 3.41Å; Y169-F172 HydrophobicContact CD2-CE2 4.49Å; Y169-F172 HydrophobicContact CD2-CZ 4.28Å; Y169-F172 HydrophobicContact CG-CZ 4.42Å; Y169-F172 PolarHBondContact N-O 3.31Å; Y169-F172 WeakPolarHBondContact O-CD1 3.47Å; Y169-F172 WeakPolarHBondContact O-CE1 3.44Å; Y169-F172 PolarHBondContact O-N 3.26Å; F172-T312 HydrophobicContact CZ-CG2 4.5Å; F172-L316 HydrophobicContact CE1-CD2 4.24Å; F172-L316 HydrophobicContact CZ-CD2 3.93Å; F172-L364 HydrophobicContact CB-CD2 3.81Å; F172-L364 HydrophobicContact CD1-CB 4.09Å; F172-L364 HydrophobicContact CD1-CD1 4.45Å; F172-L364 HydrophobicContact CD1-CD2 3.78Å; F172-L364 HydrophobicContact CD1-CG 4.31Å; F172-L364 HydrophobicContact CE1-CB 4.19Å; F172-L364 HydrophobicContact CG-CD1 4.43Å; F172-L364 HydrophobicContact CG-CD2 4Å; F172-I404 VanDerWaalsContact CA-O 3.31Å; F172-I404 WeakPolarHBondContact CA-O 3.28Å; F172-H405 HydrophobicContact CB-CB 3.49Å; F172-H405 VanDerWaalsContact CB-CB 3.49Å
173	G	97.1	Very high	97	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	172.6	175.7	0	0	0	0	0	112.6	D167 F379 I404	D167-G173 VanDerWaalsContact O-CA 3.23Å; D167-G173 WeakPolarHBondContact O-CA 3.42Å; G173-F379 VanDerWaalsContact CA-CE2 3.44Å; G173-F379 VanDerWaalsContact O-CZ 3.28Å; G173-F379 WeakPolarHBondContact O-CZ 3.49Å; G173-I404 PolarHBondContact N-O 2.65Å; G173-I404 PolarHBondContact O-N 2.97Å
174	N	97.7	Very high	97	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.8	179.6	67.7	14.4	0	0	0	112.2	T166 D167 Y313 F379 W401 L402 Y403	T166-N174 WeakPolarHBondContact CA-O 3.45Å; T166-N174 WeakPolarHBondContact CB-O 3.17Å; T166-N174 PolarHBondContact OG1-O 2.95Å; D167-N174 PolarHBondContact N-O 3.08Å; D167-N174 PolarHBondContact N-OD1 3.46Å; D167-N174 VanDerWaalsContact N-OD1 3.13Å; D167-N174 PolarHBondContact O-N 3.13Å; D167-N174 PolarHBondContact O-OD1 3.25Å; N174-Y313 VanDerWaalsContact ND2-CD2 3.34Å; N174-Y313 WeakPolarHBondContact ND2-CD2 3.33Å; N174-Y313 WeakPolarHBondContact ND2-CE2 3.35Å; N174-F379 WeakPolarHBondContact O-CD1 3.34Å; N174-F379 WeakPolarHBondContact O-CE1 3.48Å; N174-W401 HydrophobicContact CB-CE3 4.43Å; N174-W401 HydrophobicContact CB-CZ3 4.28Å; N174-L402 CarbonylContact C-O 3.39Å; N174-L402 VanDerWaalsContact CA-O 3.26Å; N174-L402 WeakPolarHBondContact CA-O 3.47Å; N174-Y403 HydrophobicContact CB-CD1 3.83Å; N174-Y403 HydrophobicContact CB-CE1 3.48Å; N174-Y403 VanDerWaalsContact CB-CE1 3.48Å
175	L	98.4	Very high	96.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	139.1	167.7	177.9	152.4	0	0	0	109.2	Y165 F379 I382 A383 E386 I398 W401 L402	Y165-L175 CarbonylContact O-C 3.56Å; Y165-L175 WeakPolarHBondContact O-CA 3.48Å; L175-F379 HydrophobicContact CB-CD1 3.98Å; L175-F379 HydrophobicContact CB-CE1 3.99Å; L175-I382 HydrophobicContact CD1-CB 4.29Å; L175-I382 HydrophobicContact CD1-CG2 3.75Å; L175-A383 HydrophobicContact CD1-CB 3.83Å; L175-E386 HydrophobicContact CD2-CG 4.42Å; L175-I398 HydrophobicContact CD2-CB 4.47Å; L175-I398 HydrophobicContact CD2-CD1 3.96Å; L175-I398 HydrophobicContact CD2-CG2 4.34Å; L175-W401 CarbonylContact O-C 3.51Å; L175-W401 VanDerWaalsContact O-CA 3.29Å; L175-W401 WeakPolarHBondContact O-CA 3.33Å; L175-L402 HydrophobicContact CB-CB 4.31Å; L175-L402 PolarHBondContact N-O 3.29Å; L175-L402 PolarHBondContact O-N 2.94Å
176	F	98.6	Very high	96.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.4	177.2	174.8	-99.7	0	0	0	110.3	F163 I164 Y165 D178 M286 Q289 Q400 W401	F163-F176 HydrophobicContact CD1-CD1 4.11Å; F163-F176 HydrophobicContact CD1-CE1 4.14Å; F163-F176 HydrophobicContact CE1-CD1 4.05Å; F163-F176 HydrophobicContact CE1-CE1 4.31Å; I164-F176 WeakPolarHBondContact CA-O 3.45Å; Y165-F176 PolarHBondContact N-O 2.91Å; Y165-F176 PolarHBondContact O-N 3.1Å; F176-D178 HydrophobicContact CE1-CB 3.87Å; F176-D178 HydrophobicContact CZ-CB 4.13Å; F176-M286 HydrophobicContact CB-CE 4.26Å; F176-M286 HydrophobicContact CD1-CB 4.43Å; F176-M286 HydrophobicContact CD1-CE 3.42Å; F176-M286 VanDerWaalsContact CD1-CE 3.42Å; F176-M286 HydrophobicContact CE1-CB 3.77Å; F176-M286 HydrophobicContact CE1-CE 3.95Å; F176-M286 HydrophobicContact CE1-CG 4.48Å; F176-M286 HydrophobicContact CG-CE 3.93Å; F176-M286 HydrophobicContact CZ-CB 3.95Å; F176-Q289 HydrophobicContact CE2-CB 3.77Å; F176-Q289 HydrophobicContact CE2-CG 3.92Å; F176-Q289 HydrophobicContact CZ-CB 4.4Å; F176-Q289 HydrophobicContact CZ-CG 4.47Å; F176-Q400 HydrophobicContact CD2-CB 4.17Å; F176-Q400 HydrophobicContact CE2-CB 3.97Å; F176-W401 HydrophobicContact CB-CD2 4Å; F176-W401 HydrophobicContact CB-CE3 3.77Å; F176-W401 HydrophobicContact CB-CH2 3.79Å; F176-W401 HydrophobicContact CB-CZ2 4.02Å; F176-W401 HydrophobicContact CB-CZ3 3.67Å; F176-W401 AromaticContact CD2-CD1 3.88Å; F176-W401 AromaticContact CD2-CD2 3.76Å; F176-W401 HydrophobicContact CD2-CD2 3.76Å; F176-W401 AromaticContact CD2-CE2 3.35Å; F176-W401 HydrophobicContact CD2-CE3 4.41Å; F176-W401 HydrophobicContact CD2-CG 4.08Å; F176-W401 HydrophobicContact CD2-CH2 4.32Å; F176-W401 AromaticContact CD2-CZ2 3.67Å; F176-W401 HydrophobicContact CD2-CZ2 3.67Å; F176-W401 AromaticContact CD2-NE1 3.48Å; F176-W401 HydrophobicContact CE2-CZ2 4.37Å; F176-W401 AromaticContact CE2-NE1 3.82Å; F176-W401 HydrophobicContact CG-CD2 4.31Å; F176-W401 HydrophobicContact CG-CH2 4.17Å; F176-W401 AromaticContact CG-CZ2 3.94Å; F176-W401 HydrophobicContact CG-CZ2 3.94Å; F176-W401 HydrophobicContact CG-CZ3 4.48Å
177	C	98.6	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.6	174.4	-64.1	0	0	0	0	111.4	F179 F283 Q400	C177-F179 HydrophobicContact CB-CE1 3.94Å; C177-F179 HydrophobicContact CB-CZ 3.97Å; C177-F283 HydrophobicContact CB-CE1 4.11Å; C177-F283 VanDerWaalsContact O-CD1 3.26Å; C177-F283 WeakPolarHBondContact O-CD1 3.38Å; C177-Q400 PolarHBondContact N-O 2.99Å; C177-Q400 PolarHBondContact O-NE2 2.78Å; C177-Q400 VanDerWaalsContact O-NE2 3.14Å
178	D	98.4	Very high	96.1	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	109.3	163.2	-180	0.3	0	0	0	109.5	D153 R157 F163 F176 G180 F283	D153-D178 VanDerWaalsContact OD1-CB 3.26Å; D153-D178 WeakPolarHBondContact OD1-CB 2.98Å; R157-D178 IonicContact CZ-OD1 2.79Å; R157-D178 IonicContact CZ-OD2 3.87Å; R157-D178 VanDerWaalsContact NH1-CG 3.28Å; R157-D178 IonicContact NH1-OD1 2.84Å; R157-D178 PolarHBondContact NH1-OD1 3.12Å; R157-D178 IonicContact NH1-OD2 3.04Å; R157-D178 PolarHBondContact NH1-OD2 3.35Å; R157-D178 VanDerWaalsContact NH1-OD2 3.09Å; F163-D178 HydrophobicContact CB-CB 4.39Å; F163-D178 PolarHBondContact N-O 3.49Å; F163-D178 PolarHBondContact O-N 3.34Å; F176-D178 HydrophobicContact CE1-CB 3.87Å; F176-D178 HydrophobicContact CZ-CB 4.13Å; D178-G180 PolarHBondContact OD1-N 2.77Å; D178-F283 WeakPolarHBondContact OD1-CB 3.08Å
179	F	98.1	Very high	95.8	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.022	12%	0.115	C	C	.	.			trans	-106.2	12.8	178.4	-57	-19.2	0	0	0	113.8	K162 I164 C177 F183 F283 E386 A390 P397	K162-F179 HydrophobicContact CB-CD1 3.82Å; K162-F179 HydrophobicContact CB-CE1 4.37Å; K162-F179 HydrophobicContact CB-CG 4.49Å; K162-F179 HydrophobicContact CG-CB 4.26Å; K162-F179 HydrophobicContact CG-CD1 4.21Å; K162-F179 HydrophobicContact CG-CG 4.38Å; I164-F179 HydrophobicContact CD1-CE1 4.13Å; I164-F179 HydrophobicContact CD1-CZ 4.19Å; I164-F179 HydrophobicContact CG1-CE1 3.75Å; I164-F179 HydrophobicContact CG1-CZ 4.21Å; C177-F179 HydrophobicContact CB-CE1 3.94Å; C177-F179 HydrophobicContact CB-CZ 3.97Å; F179-F183 HydrophobicContact CB-CB 4Å; F179-F183 HydrophobicContact CB-CD1 4.26Å; F179-F183 HydrophobicContact CB-CD2 3.58Å; F179-F183 HydrophobicContact CB-CE2 4.08Å; F179-F183 HydrophobicContact CB-CG 3.68Å; F179-F183 HydrophobicContact CD2-CD1 4.12Å; F179-F183 HydrophobicContact CD2-CD2 4.44Å; F179-F183 AromaticContact CD2-CE1 3.93Å; F179-F183 HydrophobicContact CD2-CE1 3.93Å; F179-F183 HydrophobicContact CD2-CE2 4.27Å; F179-F183 HydrophobicContact CD2-CG 4.37Å; F179-F183 HydrophobicContact CD2-CZ 4.02Å; F179-F183 HydrophobicContact CG-CD2 4.4Å; F179-F183 HydrophobicContact CG-CE2 4.46Å; F179-F283 HydrophobicContact CB-CD2 4.02Å; F179-F283 HydrophobicContact CB-CE2 3.77Å; F179-F283 HydrophobicContact CB-CZ 4.08Å; F179-F283 HydrophobicContact CD2-CE1 4.39Å; F179-F283 HydrophobicContact CD2-CE2 4.15Å; F179-F283 AromaticContact CD2-CZ 3.73Å; F179-F283 HydrophobicContact CD2-CZ 3.73Å; F179-F283 HydrophobicContact CE2-CZ 4.45Å; F179-F283 HydrophobicContact CG-CE1 4.46Å; F179-F283 HydrophobicContact CG-CE2 4.24Å; F179-F283 HydrophobicContact CG-CZ 4.04Å; F179-E386 HydrophobicContact CZ-CB 4.35Å; F179-A390 HydrophobicContact CD1-CB 4.1Å; F179-A390 HydrophobicContact CD2-CB 4.35Å; F179-A390 HydrophobicContact CE1-CB 3.76Å; F179-A390 HydrophobicContact CE2-CB 3.97Å; F179-A390 HydrophobicContact CG-CB 4.42Å; F179-A390 HydrophobicContact CZ-CB 3.7Å; F179-P397 HydrophobicContact CD2-CB 3.8Å; F179-P397 HydrophobicContact CD2-CG 4.15Å; F179-P397 HydrophobicContact CE2-CB 3.44Å; F179-P397 VanDerWaalsContact CE2-CB 3.44Å; F179-P397 HydrophobicContact CE2-CG 4.28Å
180	G	96.5	Very high	95.4	Very high	13 Å²	13	21.4 Å²	21.4	13%	0.134	12%	0.124	C	C	.	.			trans	103.5	174.2	178.7	0	0	0	0	0	114.5	R157 D178 D182 F283	R157-G180 VanDerWaalsContact CZ-C 3.44Å; R157-G180 VanDerWaalsContact NH1-C 3.29Å; D178-G180 PolarHBondContact OD1-N 2.77Å; G180-D182 VanDerWaalsContact C-N 3.31Å; G180-D182 PolarHBondContact O-N 2.84Å; G180-F283 WeakPolarHBondContact O-CB 3.31Å; G180-F283 WeakPolarHBondContact O-CD2 3.26Å; G180-F283 PolarHBondContact O-N 2.95Å; G180-F283 VanDerWaalsContact O-N 3.12Å
181	S	93.1	Very high	94.9	Very high	51 Å²	51	24.3 Å²	24.3	36%	0.357	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.7	-179	51.3	0	0	0	0	113.1	R157 T282	R157-S181 VanDerWaalsContact CZ-N 3.27Å; R157-S181 VanDerWaalsContact NH2-CA 3.33Å; S181-T282 VanDerWaalsContact O-CA 3.28Å; S181-T282 WeakPolarHBondContact O-CA 3.37Å; S181-T282 WeakPolarHBondContact O-CB 3.27Å; S181-T282 WeakPolarHBondContact O-CG2 3.42Å; S181-T282 PolarHBondContact O-OG1 3.07Å
182	D	91.9	Very high	94.1	Very high	115 Å²	115	27.5 Å²	27.5	62%	0.615	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.6	60.1	-170	-57.8	-69.5	0	0	0	110.8	G180 T184 V280	G180-D182 VanDerWaalsContact C-N 3.31Å; G180-D182 PolarHBondContact O-N 2.84Å; D182-T184 PolarHBondContact O-N 2.91Å; D182-V280 HydrophobicContact CB-CG1 4.33Å
183	F	96.8	Very high	93.5	Very high	5 Å²	5	30 Å²	30	2%	0.022	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.9	178.5	-175.1	-104	0	0	0	110.9	F179 V185 V280 H281 F283 F393 P397	F179-F183 HydrophobicContact CB-CB 4Å; F179-F183 HydrophobicContact CB-CD1 4.26Å; F179-F183 HydrophobicContact CB-CD2 3.58Å; F179-F183 HydrophobicContact CB-CE2 4.08Å; F179-F183 HydrophobicContact CB-CG 3.68Å; F179-F183 HydrophobicContact CD2-CD1 4.12Å; F179-F183 HydrophobicContact CD2-CD2 4.44Å; F179-F183 AromaticContact CD2-CE1 3.93Å; F179-F183 HydrophobicContact CD2-CE1 3.93Å; F179-F183 HydrophobicContact CD2-CE2 4.27Å; F179-F183 HydrophobicContact CD2-CG 4.37Å; F179-F183 HydrophobicContact CD2-CZ 4.02Å; F179-F183 HydrophobicContact CG-CD2 4.4Å; F179-F183 HydrophobicContact CG-CE2 4.46Å; F183-V185 HydrophobicContact CD1-CG2 3.87Å; F183-V185 HydrophobicContact CE1-CG2 3.72Å; F183-V185 PolarHBondContact O-N 3.33Å; F183-V280 WeakPolarHBondContact O-CA 3.24Å; F183-H281 PolarHBondContact N-O 2.52Å; F183-H281 PolarHBondContact O-N 3.18Å; F183-F283 HydrophobicContact CB-CD2 4.28Å; F183-F283 HydrophobicContact CB-CE2 3.98Å; F183-F283 HydrophobicContact CD1-CE2 4.3Å; F183-F283 HydrophobicContact CG-CE2 4.37Å; F183-F393 HydrophobicContact CD2-CD1 4.14Å; F183-F393 HydrophobicContact CD2-CE1 4.07Å; F183-F393 AromaticContact CE2-CD1 3.45Å; F183-F393 HydrophobicContact CE2-CD1 3.45Å; F183-F393 VanDerWaalsContact CE2-CD1 3.45Å; F183-F393 AromaticContact CE2-CE1 3.54Å; F183-F393 HydrophobicContact CE2-CE1 3.54Å; F183-F393 HydrophobicContact CE2-CG 4.46Å; F183-F393 AromaticContact CZ-CD1 3.75Å; F183-F393 HydrophobicContact CZ-CD1 3.75Å; F183-F393 HydrophobicContact CZ-CE1 4.29Å; F183-F393 HydrophobicContact CZ-CG 4.45Å; F183-P397 HydrophobicContact CD1-CG 4.26Å; F183-P397 HydrophobicContact CE1-CG 4.23Å
184	T	97	Very high	93	Very high	53 Å²	53	34 Å²	34	33%	0.325	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	106.9	-178.2	-58.1	0	0	0	0	111.4	D182 L186 P278 Q279	D182-T184 PolarHBondContact O-N 2.91Å; T184-L186 HydrophobicContact CG2-CD2 4.39Å; T184-P278 HydrophobicContact CG2-CB 3.6Å; T184-Q279 CarbonylContact C-O 3.31Å; T184-Q279 WeakPolarHBondContact CA-O 3.45Å
185	V	97	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	119.2	170.3	176.2	0	0	0	0	108.9	F183 T187 Q188 P278 Q279 H281 F395 P397	F183-V185 HydrophobicContact CD1-CG2 3.87Å; F183-V185 HydrophobicContact CE1-CG2 3.72Å; F183-V185 PolarHBondContact O-N 3.33Å; V185-T187 VanDerWaalsContact CG1-O 3.23Å; V185-T187 WeakPolarHBondContact CG1-O 3.29Å; V185-Q188 HydrophobicContact CG1-CG 4.48Å; V185-P278 CarbonylContact O-C 3.57Å; V185-P278 WeakPolarHBondContact O-CA 3.45Å; V185-Q279 PolarHBondContact N-O 2.82Å; V185-Q279 PolarHBondContact O-N 3.02Å; V185-H281 VanDerWaalsContact CG2-CD2 3.45Å; V185-H281 WeakPolarHBondContact CG2-CD2 3.33Å; V185-F395 WeakPolarHBondContact CG1-O 3.48Å; V185-P397 HydrophobicContact CG2-CG 4.42Å
186	L	94.4	Very high	91.9	Very high	63 Å²	63	38.6 Å²	38.6	33%	0.33	21%	0.212	S	C	.	.	S	Bend	trans	-79.7	-28.5	-177.9	-59.8	177.2	0	0	0	112.9	T184 P278 F393	T184-L186 HydrophobicContact CG2-CD2 4.39Å; L186-P278 HydrophobicContact CD2-CG 4.47Å; L186-F393 WeakPolarHBondContact CB-O 3.28Å; L186-F393 HydrophobicContact CD1-CB 3.9Å; L186-F393 HydrophobicContact CG-CB 3.8Å; L186-F393 PolarHBondContact N-O 3.35Å
187	T	91.2	Very high	91.3	Very high	51 Å²	51	40 Å²	40	31%	0.313	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-148.5	123.5	179.2	-56	0	0	0	0	107.6	V185 D189 K276 F395	V185-T187 VanDerWaalsContact CG1-O 3.23Å; V185-T187 WeakPolarHBondContact CG1-O 3.29Å; T187-D189 WeakPolarHBondContact CG2-O 3.41Å; T187-K276 HydrophobicContact CG2-CD 4.32Å; T187-F395 VanDerWaalsContact O-CA 3.24Å; T187-F395 WeakPolarHBondContact O-CA 3.26Å; T187-F395 PolarHBondContact O-N 2.94Å
188	Q	92	Very high	90.9	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	22%	0.219	C	C	.	.			trans	-80.8	-33.2	-166	-68	70.7	21.8	0	0	113.9	V185 K277 Q279 F395 T396 A1235	V185-Q188 HydrophobicContact CG1-CG 4.48Å; Q188-K277 PolarHBondContact NE2-O 2.99Å; Q188-Q279 VanDerWaalsContact CG-CD 3.47Å; Q188-Q279 HydrophobicContact CG-CG 4.21Å; Q188-Q279 VanDerWaalsContact CG-OE1 3.23Å; Q188-Q279 VanDerWaalsContact NE2-CG 3.28Å; Q188-F395 CarbonylContact O-C 3.48Å; Q188-F395 WeakPolarHBondContact O-CA 3.41Å; Q188-T396 PolarHBondContact O-N 2.91Å; Q188-T396 PolarHBondContact O-OG1 3.06Å; Q188-T396 VanDerWaalsContact O-OG1 3.13Å; Q188-A1235 VanDerWaalsContact O-O 3.08Å
189	D	91.5	Very high	90.4	Very high	36 Å²	36	41.7 Å²	41.7	19%	0.193	24%	0.235	C	C	.	.	S	Bend	trans	-144.8	178.5	-171.7	61	46.2	0	0	0	110.3	T187 E191 K276 F395 L1236	T187-D189 WeakPolarHBondContact CG2-O 3.41Å; D189-E191 WeakPolarHBondContact OD1-CB 3.33Å; D189-E191 PolarHBondContact OD1-N 3.38Å; D189-K276 IonicContact OD1-NZ 3.33Å; D189-K276 PolarHBondContact OD1-NZ 3.28Å; D189-K276 IonicContact OD2-NZ 3.55Å; D189-F395 VanDerWaalsContact C-CE1 3.49Å; D189-F395 WeakPolarHBondContact O-CE1 3.46Å; D189-L1236 HydrophobicContact CB-CD2 4.02Å; D189-L1236 HydrophobicContact CB-CG 4.27Å
190	D	86.6	Confident	89.9	Confident	40 Å²	40	46.1 Å²	46.1	21%	0.214	25%	0.254	C	S	.	.	S	Bend	trans	-94.2	9.3	177.7	63.9	-7.6	0	0	0	113.9	F395 T718 K719 A1235	D190-F395 HydrophobicContact CB-CE1 3.77Å; D190-F395 HydrophobicContact CB-CZ 3.87Å; D190-T718 PolarHBondContact OD2-N 2.64Å; D190-T718 PolarHBondContact OD2-OG1 3.39Å; D190-K719 WeakPolarHBondContact OD1-CE 3.43Å; D190-A1235 HydrophobicContact CB-CB 4.14Å
191	E	84.6	Confident	89.6	Confident	61 Å²	61	45.8 Å²	45.8	29%	0.285	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-74	141.4	178.5	-67.5	-71.5	129.1	0	0	111	D189 R194 K276 K719	D189-E191 WeakPolarHBondContact OD1-CB 3.33Å; D189-E191 PolarHBondContact OD1-N 3.38Å; E191-R194 IonicContact OE2-CZ 2.91Å; E191-R194 IonicContact OE2-NH1 3.06Å; E191-R194 IonicContact OE2-NH2 3.32Å; E191-R194 PolarHBondContact OE2-NH2 3.27Å; E191-K276 PolarHBondContact O-NZ 2.94Å; E191-K719 IonicContact OE1-NZ 3.82Å; E191-K719 PolarHBondContact OE1-NZ 2.61Å
192	P	80	Confident	89.4	Confident	67 Å²	67	46.8 Å²	46.8	44%	0.435	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-64.9	148.4	168.8	28	-33	0	0	0	110.6	R194	P192-R194 PolarHBondContact O-N 3Å
193	C	83.9	Confident	89.2	Confident	54 Å²	54	45 Å²	45	37%	0.365	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-57.4	132.5	170.9	-70.1	0	0	0	0	110.1	L273 Q274	C193-L273 HydrophobicContact CB-CD1 4.08Å; C193-Q274 HydrophobicContact CB-CB 4.22Å; C193-Q274 WeakPolarHBondContact CB-O 3.41Å; C193-Q274 PolarHBondContact SG-O 3.36Å; C193-Q274 VanDerWaalsContact SG-O 3.4Å
194	R	87	Confident	88.8	Confident	85 Å²	85	48.7 Å²	48.7	32%	0.321	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68.6	143.7	176.5	-55.2	-62.8	-178	-156.1	-13.9	110.6	E191 P192 H220 L221 Q274	E191-R194 IonicContact OE2-CZ 2.91Å; E191-R194 IonicContact OE2-NH1 3.06Å; E191-R194 IonicContact OE2-NH2 3.32Å; E191-R194 PolarHBondContact OE2-NH2 3.27Å; P192-R194 PolarHBondContact O-N 3Å; R194-H220 HydrophobicContact CG-CB 4.43Å; R194-L221 HydrophobicContact CB-CD2 3.78Å; R194-L221 HydrophobicContact CB-CG 4.4Å; R194-L221 HydrophobicContact CG-CD2 3.98Å; R194-Q274 HydrophobicContact CB-CB 4.25Å; R194-Q274 WeakPolarHBondContact O-CB 3.04Å; R194-Q274 PolarHBondContact O-N 3.1Å
195	E	85.4	Confident	88.3	Confident	82 Å²	82	49.3 Å²	49.3	38%	0.383	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.9	178.3	64.2	-179.1	-151.1	0	0	111.8	F271 V272 L273 L767	E195-F271 HydrophobicContact CB-CE1 4.09Å; E195-F271 HydrophobicContact CB-CE2 4.01Å; E195-F271 HydrophobicContact CB-CZ 3.46Å; E195-F271 VanDerWaalsContact CB-CZ 3.46Å; E195-F271 HydrophobicContact CG-CE2 4.31Å; E195-F271 HydrophobicContact CG-CZ 3.89Å; E195-F271 WeakPolarHBondContact OE2-CZ 3.35Å; E195-V272 VanDerWaalsContact CA-O 3.23Å; E195-V272 WeakPolarHBondContact CA-O 3.47Å; E195-L273 HydrophobicContact CB-CD1 4.28Å; E195-L767 WeakPolarHBondContact OE1-CD2 3.46Å
196	F	86.9	Confident	87.7	Confident	14 Å²	14	53.5 Å²	53.5	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	156.6	177.9	60.9	-91.5	0	0	0	113.2	I211 V213 H219 L221 L253 V272	F196-I211 HydrophobicContact CE2-CG2 4.38Å; F196-V213 HydrophobicContact CB-CG1 4.18Å; F196-V213 HydrophobicContact CD2-CB 4.34Å; F196-V213 HydrophobicContact CD2-CG1 4.1Å; F196-V213 HydrophobicContact CD2-CG2 3.81Å; F196-V213 HydrophobicContact CE2-CG2 3.93Å; F196-V213 HydrophobicContact CG-CG1 4.35Å; F196-V213 HydrophobicContact CG-CG2 4.28Å; F196-V213 HydrophobicContact CZ-CG2 4.5Å; F196-H219 HydrophobicContact CD1-CB 3.89Å; F196-H219 HydrophobicContact CE1-CB 3.66Å; F196-H219 HydrophobicContact CZ-CB 4.18Å; F196-L221 HydrophobicContact CE1-CD1 3.82Å; F196-L253 HydrophobicContact CE1-CD1 4.15Å; F196-L253 HydrophobicContact CZ-CD1 3.67Å; F196-V272 HydrophobicContact CD1-CB 4.15Å; F196-V272 HydrophobicContact CD1-CG1 4.27Å; F196-V272 HydrophobicContact CD2-CB 4.08Å; F196-V272 HydrophobicContact CD2-CG2 4.27Å; F196-V272 HydrophobicContact CE1-CB 3.75Å; F196-V272 HydrophobicContact CE1-CG1 3.52Å; F196-V272 HydrophobicContact CE1-CG2 4.43Å; F196-V272 HydrophobicContact CE2-CB 3.69Å; F196-V272 HydrophobicContact CE2-CG1 4.19Å; F196-V272 HydrophobicContact CE2-CG2 3.59Å; F196-V272 HydrophobicContact CG-CB 4.3Å; F196-V272 HydrophobicContact CZ-CB 3.51Å; F196-V272 HydrophobicContact CZ-CG1 3.47Å; F196-V272 VanDerWaalsContact CZ-CG1 3.47Å; F196-V272 HydrophobicContact CZ-CG2 3.68Å; F196-V272 PolarHBondContact N-O 2.86Å; F196-V272 VanDerWaalsContact N-O 3.09Å; F196-V272 PolarHBondContact O-N 3.38Å
197	F	87.6	Confident	87.3	Confident	28 Å²	28	56.3 Å²	56.3	12%	0.123	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.8	172.1	-66.3	-75.1	0	0	0	111.3	L214 F271 L767 F940 P941	F197-L214 HydrophobicContact CB-CB 3.94Å; F197-L214 HydrophobicContact CB-CD2 3.8Å; F197-L214 WeakPolarHBondContact O-CB 3.31Å; F197-L214 PolarHBondContact O-N 3.12Å; F197-F271 AromaticContact CD1-CD2 3.95Å; F197-F271 HydrophobicContact CD1-CD2 3.95Å; F197-F271 AromaticContact CE1-CD2 3.76Å; F197-F271 HydrophobicContact CE1-CD2 3.76Å; F197-F271 HydrophobicContact CE1-CE2 4.43Å; F197-F271 HydrophobicContact CG-CD2 4.49Å; F197-F271 HydrophobicContact CZ-CD2 4.15Å; F197-F271 HydrophobicContact CZ-CE2 4.38Å; F197-L767 HydrophobicContact CE2-CD2 4.42Å; F197-L767 HydrophobicContact CZ-CD2 4.23Å; F197-F940 AromaticContact CD1-CD1 3.65Å; F197-F940 HydrophobicContact CD1-CD1 3.65Å; F197-F940 HydrophobicContact CD1-CE1 4.28Å; F197-F940 AromaticContact CE1-CD1 3.6Å; F197-F940 HydrophobicContact CE1-CD1 3.6Å; F197-F940 AromaticContact CE1-CE1 3.93Å; F197-F940 HydrophobicContact CE1-CE1 3.93Å; F197-P941 HydrophobicContact CD2-CB 4.09Å; F197-P941 HydrophobicContact CE2-CB 4.04Å; F197-P941 HydrophobicContact CG-CB 4.36Å; F197-P941 HydrophobicContact CZ-CB 4.27Å
198	I	88.9	Confident	87.3	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.2	178.1	-58.7	172.9	0	0	0	109.4	I201 I211 F229 L232 Y266 G270 V272	I198-I201 HydrophobicContact CD1-CD1 4.2Å; I198-I201 HydrophobicContact CG2-CD1 4.26Å; I198-I201 HydrophobicContact CG2-CG1 3.69Å; I198-I211 HydrophobicContact CG1-CG2 4.37Å; I198-I211 HydrophobicContact CG2-CG2 4.28Å; I198-F229 HydrophobicContact CD1-CD1 3.63Å; I198-F229 HydrophobicContact CD1-CE1 3.71Å; I198-L232 HydrophobicContact CD1-CD2 3.81Å; I198-Y266 HydrophobicContact CG2-CE1 4.49Å; I198-G270 PolarHBondContact N-O 3.29Å; I198-V272 HydrophobicContact CD1-CG2 3.78Å; I198-V272 HydrophobicContact CG1-CG2 3.68Å
199	G	87.2	Confident	87.3	Confident	33 Å²	33	55 Å²	55	34%	0.34	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-43.8	170.7	0	0	0	0	0	112.4	T212	G199-T212 WeakPolarHBondContact CA-O 3.14Å; G199-T212 PolarHBondContact N-O 2.91Å
200	K	88	Confident	87.4	Confident	99 Å²	99	53.9 Å²	53.9	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	147.6	-178.9	-159.7	-179	-175.7	-169.9	0	111.4	E202 T212	K200-E202 HydrophobicContact CD-CG 3.63Å; K200-E202 VanDerWaalsContact CE-CG 3.46Å; K200-E202 VanDerWaalsContact CE-OE1 3.28Å; K200-E202 WeakPolarHBondContact CE-OE1 3.39Å; K200-E202 HydrophobicContact CG-CG 3.88Å; K200-E202 IonicContact NZ-OE1 3.04Å; K200-E202 PolarHBondContact NZ-OE1 3.32Å; K200-E202 IonicContact NZ-OE2 3.54Å; K200-E202 PolarHBondContact NZ-OE2 2.94Å; K200-T212 PolarHBondContact N-O 3.15Å; K200-T212 PolarHBondContact O-N 3.46Å
201	I	89.9	Confident	87.7	Confident	6 Å²	6	52 Å²	52	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.8	165	-53.1	-178.2	0	0	0	108.1	I198 L209 L210 L232 F264 Y266	I198-I201 HydrophobicContact CD1-CD1 4.2Å; I198-I201 HydrophobicContact CG2-CD1 4.26Å; I198-I201 HydrophobicContact CG2-CG1 3.69Å; I201-L209 HydrophobicContact CG2-CB 4.15Å; I201-L209 HydrophobicContact CG2-CD1 4.04Å; I201-L209 HydrophobicContact CG2-CD2 4.34Å; I201-L209 HydrophobicContact CG2-CG 4.4Å; I201-L210 CarbonylContact C-O 3.6Å; I201-L210 WeakPolarHBondContact CA-O 3.47Å; I201-L232 HydrophobicContact CD1-CD2 3.76Å; I201-F264 HydrophobicContact CB-CE1 4.36Å; I201-F264 HydrophobicContact CG2-CE1 3.92Å; I201-F264 HydrophobicContact CG2-CZ 4.1Å; I201-Y266 HydrophobicContact CB-CD2 4.27Å; I201-Y266 HydrophobicContact CB-CG 4.07Å; I201-Y266 HydrophobicContact CD1-CD2 3.82Å; I201-Y266 HydrophobicContact CD1-CE2 3.95Å; I201-Y266 HydrophobicContact CD1-CG 4.46Å; I201-Y266 HydrophobicContact CG1-CD2 4.01Å; I201-Y266 HydrophobicContact CG1-CE2 4.24Å; I201-Y266 HydrophobicContact CG1-CG 4.18Å
202	E	88.7	Confident	88.1	Confident	72 Å²	72	50.7 Å²	50.7	34%	0.336	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.1	178.8	-60.5	-176.1	98.3	0	0	111.2	K200 L209 L210	K200-E202 HydrophobicContact CD-CG 3.63Å; K200-E202 VanDerWaalsContact CE-CG 3.46Å; K200-E202 VanDerWaalsContact CE-OE1 3.28Å; K200-E202 WeakPolarHBondContact CE-OE1 3.39Å; K200-E202 HydrophobicContact CG-CG 3.88Å; K200-E202 IonicContact NZ-OE1 3.04Å; K200-E202 PolarHBondContact NZ-OE1 3.32Å; K200-E202 IonicContact NZ-OE2 3.54Å; K200-E202 PolarHBondContact NZ-OE2 2.94Å; E202-L209 CarbonylContact O-C 3.57Å; E202-L209 WeakPolarHBondContact O-CA 3.4Å; E202-L210 HydrophobicContact CB-CB 4.25Å; E202-L210 PolarHBondContact N-O 3.38Å; E202-L210 PolarHBondContact O-N 3.27Å
203	K	88.3	Confident	88.6	Confident	77 Å²	77	47.7 Å²	47.7	34%	0.335	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.3	173.2	-173.2	174.2	177.8	173.5	0	109.3	N205 D206 L209 I259 F264	K203-N205 WeakPolarHBondContact CE-O 3.17Å; K203-N205 WeakPolarHBondContact CG-O 3.37Å; K203-D206 WeakPolarHBondContact CE-OD1 3.47Å; K203-D206 IonicContact NZ-OD1 3.25Å; K203-D206 PolarHBondContact NZ-OD1 3.24Å; K203-L209 HydrophobicContact CB-CD2 4.18Å; K203-L209 HydrophobicContact CG-CD2 4.43Å; K203-I259 HydrophobicContact CD-CG2 4.27Å; K203-I259 PolarHBondContact NZ-O 3.17Å; K203-F264 HydrophobicContact CB-CD2 4.31Å; K203-F264 HydrophobicContact CB-CE2 4.31Å; K203-F264 HydrophobicContact CD-CD2 4.42Å
204	I	87.9	Confident	88.7	Confident	82 Å²	82	47.4 Å²	47.4	42%	0.421	24%	0.235	S	C	.	.	S	Bend	trans	-79.7	-47.1	174.3	-58.3	178	0	0	0	109.3	E208 L210 I254	I204-E208 HydrophobicContact CB-CB 4.14Å; I204-E208 HydrophobicContact CD1-CB 4.34Å; I204-E208 PolarHBondContact N-O 3.32Å; I204-L210 HydrophobicContact CD1-CB 3.96Å; I204-L210 HydrophobicContact CG1-CB 3.92Å; I204-I254 HydrophobicContact CD1-CD1 3.9Å; I204-I254 HydrophobicContact CD1-CG1 3.99Å; I204-I254 HydrophobicContact CD1-CG2 4.18Å
205	N	87.1	Confident	88.4	Confident	66 Å²	66	46 Å²	46	35%	0.353	25%	0.247	S	C	.	.	S	Bend	trans	-154.6	-172.1	177.1	57.1	51.5	0	0	0	109.3	K203 E207 E208	K203-N205 WeakPolarHBondContact CE-O 3.17Å; K203-N205 WeakPolarHBondContact CG-O 3.37Å; N205-E207 PolarHBondContact O-N 3.21Å; N205-E207 VanDerWaalsContact O-N 3.12Å; N205-E207 WeakPolarHBondContact OD1-CA 3.35Å; N205-E207 PolarHBondContact OD1-N 3.26Å; N205-E208 PolarHBondContact ND2-OE2 3.18Å; N205-E208 PolarHBondContact OD1-N 3.46Å
206	D	84	Confident	88.1	Confident	88 Å²	88	50.2 Å²	50.2	47%	0.471	27%	0.272	S	S	.	.	S	Bend	trans	-67.6	-6.3	-179.3	-72.4	-24.4	0	0	0	114.8	K203 I259	K203-D206 WeakPolarHBondContact CE-OD1 3.47Å; K203-D206 IonicContact NZ-OD1 3.25Å; K203-D206 PolarHBondContact NZ-OD1 3.24Å; D206-I259 PolarHBondContact O-N 3.33Å
207	E	86.8	Confident	87.7	Confident	122 Å²	122	55.9 Å²	55.9	57%	0.57	30%	0.298	S	S	*	.	S	Bend	trans	-126.2	-10.4	-174.1	-60.1	-174.7	171.8	0	0	114.2	N205 T256 T257	N205-E207 PolarHBondContact O-N 3.21Å; N205-E207 VanDerWaalsContact O-N 3.12Å; N205-E207 WeakPolarHBondContact OD1-CA 3.35Å; N205-E207 PolarHBondContact OD1-N 3.26Å; E207-T256 CarbonylContact O-C 3.56Å; E207-T256 WeakPolarHBondContact O-CA 3.4Å; E207-T256 WeakPolarHBondContact O-CG2 3.4Å; E207-T257 CarbonylContact C-O 3.43Å; E207-T257 VanDerWaalsContact CA-O 3.22Å; E207-T257 WeakPolarHBondContact CA-O 3.4Å; E207-T257 PolarHBondContact O-N 2.91Å
208	E	91.1	Very high	87.7	Confident	36 Å²	36	62 Å²	62	17%	0.168	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.6	-175	-67.8	-178.2	135.7	0	0	113.1	I204 N205 R246 I254 I255	I204-E208 HydrophobicContact CB-CB 4.14Å; I204-E208 HydrophobicContact CD1-CB 4.34Å; I204-E208 PolarHBondContact N-O 3.32Å; N205-E208 PolarHBondContact ND2-OE2 3.18Å; N205-E208 PolarHBondContact OD1-N 3.46Å; E208-R246 IonicContact OE1-CZ 3.67Å; E208-R246 IonicContact OE1-NH1 3.76Å; E208-R246 IonicContact OE1-NH2 2.89Å; E208-R246 PolarHBondContact OE1-NH2 2.89Å; E208-R246 IonicContact OE2-NH2 3.93Å; E208-I254 HydrophobicContact CB-CG2 4.11Å; E208-I254 HydrophobicContact CG-CG2 4.24Å; E208-I255 WeakPolarHBondContact CA-O 3.14Å
209	L	91.9	Very high	87.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.1	170.9	-61.2	177.9	0	0	0	111	I201 E202 K203 L238 I254 I255 T257 I259 F264	I201-L209 HydrophobicContact CG2-CB 4.15Å; I201-L209 HydrophobicContact CG2-CD1 4.04Å; I201-L209 HydrophobicContact CG2-CD2 4.34Å; I201-L209 HydrophobicContact CG2-CG 4.4Å; E202-L209 CarbonylContact O-C 3.57Å; E202-L209 WeakPolarHBondContact O-CA 3.4Å; K203-L209 HydrophobicContact CB-CD2 4.18Å; K203-L209 HydrophobicContact CG-CD2 4.43Å; L209-L238 HydrophobicContact CD1-CD1 3.92Å; L209-I254 VanDerWaalsContact O-CA 3.31Å; L209-I254 WeakPolarHBondContact O-CA 3.37Å; L209-I255 HydrophobicContact CB-CD1 4.28Å; L209-I255 HydrophobicContact CB-CG1 3.8Å; L209-I255 HydrophobicContact CD1-CD1 4.14Å; L209-I255 HydrophobicContact CG-CG1 4.5Å; L209-I255 PolarHBondContact N-O 3.38Å; L209-I255 PolarHBondContact O-N 2.83Å; L209-T257 HydrophobicContact CD1-CG2 4.3Å; L209-I259 HydrophobicContact CD1-CD1 4.29Å; L209-I259 HydrophobicContact CD1-CG1 4.28Å; L209-I259 HydrophobicContact CD2-CD1 3.57Å; L209-I259 HydrophobicContact CD2-CG1 4.09Å; L209-I259 HydrophobicContact CD2-CG2 4.21Å; L209-I259 HydrophobicContact CG-CD1 3.53Å; L209-I259 HydrophobicContact CG-CG1 4.04Å; L209-F264 HydrophobicContact CD1-CZ 4.3Å; L209-F264 HydrophobicContact CD2-CE1 4.32Å; L209-F264 HydrophobicContact CD2-CE2 3.9Å; L209-F264 HydrophobicContact CD2-CZ 3.42Å; L209-F264 VanDerWaalsContact CD2-CZ 3.42Å
210	L	93.6	Very high	87.6	Confident	13 Å²	13	66.5 Å²	66.5	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.8	167.6	-177.3	66.7	0	0	0	109.3	I201 E202 I204 K248 E252 I254	I201-L210 CarbonylContact C-O 3.6Å; I201-L210 WeakPolarHBondContact CA-O 3.47Å; E202-L210 HydrophobicContact CB-CB 4.25Å; E202-L210 PolarHBondContact N-O 3.38Å; E202-L210 PolarHBondContact O-N 3.27Å; I204-L210 HydrophobicContact CD1-CB 3.96Å; I204-L210 HydrophobicContact CG1-CB 3.92Å; L210-K248 HydrophobicContact CD1-CD 3.58Å; L210-E252 HydrophobicContact CD1-CB 4.09Å; L210-I254 HydrophobicContact CD1-CG1 4.07Å
211	I	93.4	Very high	87.7	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	176.3	-52.5	159.2	0	0	0	107.3	F196 I198 I227 F229 E252 L253 I255	F196-I211 HydrophobicContact CE2-CG2 4.38Å; I198-I211 HydrophobicContact CG1-CG2 4.37Å; I198-I211 HydrophobicContact CG2-CG2 4.28Å; I211-I227 HydrophobicContact CD1-CD1 3.69Å; I211-F229 HydrophobicContact CD1-CE1 3.98Å; I211-F229 HydrophobicContact CD1-CZ 3.54Å; I211-F229 HydrophobicContact CG1-CZ 4.23Å; I211-E252 CarbonylContact O-C 3.56Å; I211-E252 VanDerWaalsContact O-CA 3.3Å; I211-E252 WeakPolarHBondContact O-CA 3.09Å; I211-L253 HydrophobicContact CB-CB 4.4Å; I211-L253 HydrophobicContact CD1-CB 4.5Å; I211-L253 PolarHBondContact N-O 3.43Å; I211-L253 PolarHBondContact O-N 3.03Å; I211-I255 HydrophobicContact CD1-CB 4.49Å; I211-I255 HydrophobicContact CD1-CD1 4.22Å; I211-I255 HydrophobicContact CD1-CG1 4.09Å; I211-I255 HydrophobicContact CD1-CG2 3.71Å
212	T	92.9	Very high	87.9	Confident	33 Å²	33	69.2 Å²	69.2	20%	0.202	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.4	174.8	-51.5	0	0	0	0	109.3	G199 K200 E252	G199-T212 WeakPolarHBondContact CA-O 3.14Å; G199-T212 PolarHBondContact N-O 2.91Å; K200-T212 PolarHBondContact N-O 3.15Å; K200-T212 PolarHBondContact O-N 3.46Å; T212-E252 HydrophobicContact CG2-CG 4.4Å
213	V	90.3	Very high	88.2	Confident	4 Å²	4	70.2 Å²	70.2	2%	0.024	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	143.2	174.5	-177.4	0	0	0	0	109.8	F196 H217 H219 S251	F196-V213 HydrophobicContact CB-CG1 4.18Å; F196-V213 HydrophobicContact CD2-CB 4.34Å; F196-V213 HydrophobicContact CD2-CG1 4.1Å; F196-V213 HydrophobicContact CD2-CG2 3.81Å; F196-V213 HydrophobicContact CE2-CG2 3.93Å; F196-V213 HydrophobicContact CG-CG1 4.35Å; F196-V213 HydrophobicContact CG-CG2 4.28Å; F196-V213 HydrophobicContact CZ-CG2 4.5Å; V213-H217 HydrophobicContact CG1-CB 3.79Å; V213-H219 HydrophobicContact CG2-CB 3.89Å; V213-S251 WeakPolarHBondContact CG2-O 3.45Å; V213-S251 PolarHBondContact N-O 2.88Å
214	L	86.5	Confident	88.4	Confident	49 Å²	49	72.9 Å²	72.9	26%	0.257	37%	0.372	S	S	.	.	S	Bend	trans	-67.2	132.6	178.4	-174.8	67	0	0	0	111.4	F197 H217 P941	F197-L214 HydrophobicContact CB-CB 3.94Å; F197-L214 HydrophobicContact CB-CD2 3.8Å; F197-L214 WeakPolarHBondContact O-CB 3.31Å; F197-L214 PolarHBondContact O-N 3.12Å; L214-H217 PolarHBondContact O-CD2 3.17Å; L214-P941 HydrophobicContact CD2-CG 4.44Å
215	G	80.7	Confident	88.6	Confident	56 Å²	56	70.8 Å²	70.8	58%	0.577	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-144.6	175.8	0	0	0	0	0	113.7
216	N	78.7	Confident	89	Confident	169 Å²	169	68.6 Å²	68.6	90%	0.904	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	16.8	-179.8	-65.9	-15.6	0	0	0	112.8
217	H	78	Confident	89.5	Confident	133 Å²	133	64.4 Å²	64.4	62%	0.616	33%	0.329	S	S	*	.			trans	-79.1	156.5	-178	-59.3	-62	0	0	0	111.8	V213 L214	V213-H217 HydrophobicContact CG1-CB 3.79Å; L214-H217 PolarHBondContact O-CD2 3.17Å
218	R	86.8	Confident	89.9	Confident	158 Å²	158	62 Å²	62	60%	0.596	31%	0.314	S	S	*	.			trans	-106.5	151.1	174.8	-64.3	-179.5	178.8	-171	1.7	110.2	H220 P250	R218-H220 PolarHBondContact O-CD2 3.04Å; R218-P250 CarbonylContact C-O 3.55Å; R218-P250 WeakPolarHBondContact CA-O 3.43Å; R218-P250 HydrophobicContact CB-CB 4.48Å; R218-P250 WeakPolarHBondContact CB-O 3.32Å; R218-P250 HydrophobicContact CG-CB 3.93Å
219	H	88.4	Confident	89.9	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.032	31%	0.306	C	S	.	.			trans	-81.1	-25.9	178	55.2	77.6	0	0	0	113.5	F196 V213 L221 S249 P250 L253	F196-H219 HydrophobicContact CD1-CB 3.89Å; F196-H219 HydrophobicContact CE1-CB 3.66Å; F196-H219 HydrophobicContact CZ-CB 4.18Å; V213-H219 HydrophobicContact CG2-CB 3.89Å; H219-L221 HydrophobicContact CB-CD1 4.43Å; H219-L221 HydrophobicContact CB-CG 4.39Å; H219-L221 PolarHBondContact CE1-O 3.45Å; H219-L221 VanDerWaalsContact CE1-O 3.3Å; H219-L221 PolarHBondContact ND1-N 3.29Å; H219-L221 PolarHBondContact ND1-O 3.41Å; H219-L221 PolarHBondContact O-N 3.3Å; H219-S249 PolarHBondContact NE2-O 3.17Å; H219-P250 PolarHBondContact CD2-O 3.11Å; H219-P250 PolarHBondContact N-O 3.15Å; H219-P250 VanDerWaalsContact NE2-C 3.3Å; H219-P250 PolarHBondContact NE2-O 2.89Å; H219-L253 HydrophobicContact CB-CD1 4.09Å; H219-L253 VanDerWaalsContact CE1-CD2 3.46Å; H219-L253 WeakPolarHBondContact CE1-CD2 3.22Å; H219-L253 WeakPolarHBondContact NE2-CD2 3.41Å
220	H	86.6	Confident	89.7	Confident	125 Å²	125	61.8 Å²	61.8	58%	0.579	32%	0.315	S	S	*	.			trans	55.5	17	-177.2	-57.6	-80.3	0	0	0	116	R194 R218	R194-H220 HydrophobicContact CG-CB 4.43Å; R218-H220 PolarHBondContact O-CD2 3.04Å
221	L	91.2	Very high	89.2	Confident	10 Å²	10	65 Å²	65	5%	0.052	33%	0.33	C	S	.	.			trans	-87.2	157.5	170.6	-60.8	173.1	0	0	0	112.7	R194 F196 H219 D225 I227 I245 V247 L253 Q274	R194-L221 HydrophobicContact CB-CD2 3.78Å; R194-L221 HydrophobicContact CB-CG 4.4Å; R194-L221 HydrophobicContact CG-CD2 3.98Å; F196-L221 HydrophobicContact CE1-CD1 3.82Å; H219-L221 HydrophobicContact CB-CD1 4.43Å; H219-L221 HydrophobicContact CB-CG 4.39Å; H219-L221 PolarHBondContact CE1-O 3.45Å; H219-L221 VanDerWaalsContact CE1-O 3.3Å; H219-L221 PolarHBondContact ND1-N 3.29Å; H219-L221 PolarHBondContact ND1-O 3.41Å; H219-L221 PolarHBondContact O-N 3.3Å; L221-D225 WeakPolarHBondContact CA-OD2 3.4Å; L221-D225 HydrophobicContact CB-CB 4.28Å; L221-D225 HydrophobicContact CD2-CB 4.16Å; L221-D225 WeakPolarHBondContact CD2-OD2 3.05Å; L221-I227 HydrophobicContact CD1-CG2 3.42Å; L221-I227 VanDerWaalsContact CD1-CG2 3.42Å; L221-I245 HydrophobicContact CB-CD1 3.74Å; L221-I245 HydrophobicContact CD1-CD1 4.22Å; L221-V247 WeakPolarHBondContact O-CG2 3.49Å; L221-L253 HydrophobicContact CD1-CD1 3.82Å; L221-Q274 HydrophobicContact CD2-CB 3.84Å; L221-Q274 HydrophobicContact CD2-CG 3.57Å
222	E	92.8	Very high	88.8	Confident	151 Å²	151	65.1 Å²	65.1	71%	0.706	33%	0.331	S	S	*	.			trans	-111.4	167	177.7	-62.3	-174.9	176.9	0	0	112.4	N224 D225 I245	E222-N224 PolarHBondContact O-N 2.9Å; E222-D225 PolarHBondContact N-OD2 3.44Å; E222-D225 WeakPolarHBondContact O-CB 3.05Å; E222-D225 PolarHBondContact O-N 3.45Å; E222-D225 VanDerWaalsContact O-N 3.16Å; E222-I245 WeakPolarHBondContact O-CD1 3.45Å
223	N	94.9	Very high	88.2	Confident	94 Å²	94	69.1 Å²	69.1	50%	0.503	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.8	176.1	-75.1	-42.1	0	0	0	111.2	D225 V247	N223-D225 PolarHBondContact O-N 3.49Å; N223-V247 PolarHBondContact OD1-N 3.28Å
224	N	92.2	Very high	87.6	Confident	133 Å²	133	73.3 Å²	73.3	71%	0.711	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	2.5	-176.3	-46.7	-60.4	0	0	0	116	E222 I245	E222-N224 PolarHBondContact O-N 2.9Å; N224-I245 PolarHBondContact N-O 3.28Å
225	D	93.3	Very high	87.3	Confident	37 Å²	37	71 Å²	71	20%	0.198	36%	0.355	C	S	.	.			trans	-55	147.1	163.5	-91.1	-37.1	0	0	0	110.2	L221 E222 N223 P244 I245 Q274	L221-D225 WeakPolarHBondContact CA-OD2 3.4Å; L221-D225 HydrophobicContact CB-CB 4.28Å; L221-D225 HydrophobicContact CD2-CB 4.16Å; L221-D225 WeakPolarHBondContact CD2-OD2 3.05Å; E222-D225 PolarHBondContact N-OD2 3.44Å; E222-D225 WeakPolarHBondContact O-CB 3.05Å; E222-D225 PolarHBondContact O-N 3.45Å; E222-D225 VanDerWaalsContact O-N 3.16Å; N223-D225 PolarHBondContact O-N 3.49Å; D225-P244 CarbonylContact O-C 3.48Å; D225-P244 WeakPolarHBondContact O-CA 3.24Å; D225-I245 HydrophobicContact CB-CD1 4.17Å; D225-I245 HydrophobicContact CB-CG1 3.82Å; D225-I245 WeakPolarHBondContact O-CG1 3.39Å; D225-I245 PolarHBondContact O-N 3.32Å; D225-Q274 VanDerWaalsContact CG-NE2 3.32Å; D225-Q274 PolarHBondContact OD1-NE2 2.79Å; D225-Q274 PolarHBondContact OD2-NE2 3.49Å
226	V	94.9	Very high	87.3	Confident	21 Å²	21	71.9 Å²	71.9	13%	0.127	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.8	178	-179.2	0	0	0	0	108.9	E242 F243 Q274 V275 K277	V226-E242 HydrophobicContact CG1-CB 3.69Å; V226-E242 HydrophobicContact CG1-CG 4.28Å; V226-F243 WeakPolarHBondContact CA-O 3.31Å; V226-Q274 CarbonylContact O-C 3.59Å; V226-Q274 WeakPolarHBondContact O-CA 3.43Å; V226-V275 HydrophobicContact CB-CB 4.47Å; V226-V275 HydrophobicContact CG1-CB 4.27Å; V226-V275 PolarHBondContact O-N 3.5Å; V226-K277 HydrophobicContact CB-CG 4.27Å; V226-K277 HydrophobicContact CG2-CG 3.83Å
227	I	95.2	Very high	87.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.1	176.1	66.4	168.9	0	0	0	111.4	I211 L221 F229 E242 F243 I245 I255 V272 L273	I211-I227 HydrophobicContact CD1-CD1 3.69Å; L221-I227 HydrophobicContact CD1-CG2 3.42Å; L221-I227 VanDerWaalsContact CD1-CG2 3.42Å; I227-F229 HydrophobicContact CD1-CE1 4.12Å; I227-F229 HydrophobicContact CD1-CZ 3.92Å; I227-E242 CarbonylContact O-C 3.56Å; I227-E242 VanDerWaalsContact O-CA 3.26Å; I227-E242 WeakPolarHBondContact O-CA 3.34Å; I227-F243 HydrophobicContact CG1-CB 4.23Å; I227-F243 PolarHBondContact N-O 3.09Å; I227-F243 PolarHBondContact O-N 2.84Å; I227-I245 HydrophobicContact CB-CG2 4.23Å; I227-I245 HydrophobicContact CD1-CG2 3.63Å; I227-I245 HydrophobicContact CG1-CG2 3.58Å; I227-I245 HydrophobicContact CG2-CG2 3.73Å; I227-I255 HydrophobicContact CD1-CG2 4.04Å; I227-I255 HydrophobicContact CG1-CG2 4.46Å; I227-V272 HydrophobicContact CB-CG1 3.63Å; I227-V272 HydrophobicContact CD1-CG1 3.98Å; I227-V272 HydrophobicContact CG1-CG1 4.36Å; I227-V272 HydrophobicContact CG2-CG1 3.76Å; I227-L273 CarbonylContact C-O 3.55Å; I227-L273 WeakPolarHBondContact CA-O 3.34Å
228	R	94.8	Very high	88.1	Confident	71 Å²	71	62.3 Å²	62.3	27%	0.268	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.6	170.4	-173.3	-174.7	-61	164.7	4.1	109.8	E240 R241 E242 V272 L273 V275	R228-E240 WeakPolarHBondContact CD-OE2 3.22Å; R228-R241 WeakPolarHBondContact CA-O 3.38Å; R228-E242 HydrophobicContact CB-CG 4.37Å; R228-E242 IonicContact CZ-OE1 3.92Å; R228-E242 IonicContact NE-OE1 3.71Å; R228-E242 IonicContact NH2-OE1 2.75Å; R228-E242 PolarHBondContact NH2-OE1 2.95Å; R228-V272 WeakPolarHBondContact O-CA 3.48Å; R228-L273 PolarHBondContact N-O 3.41Å; R228-L273 PolarHBondContact O-N 3.48Å; R228-V275 HydrophobicContact CB-CG2 3.81Å
229	F	91.4	Very high	88.2	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	147.6	173.3	-60.5	-69.9	0	0	0	112	I198 I211 I227 L232 L238 N239 E240 F243 I255 F271 V272	I198-F229 HydrophobicContact CD1-CD1 3.63Å; I198-F229 HydrophobicContact CD1-CE1 3.71Å; I211-F229 HydrophobicContact CD1-CE1 3.98Å; I211-F229 HydrophobicContact CD1-CZ 3.54Å; I211-F229 HydrophobicContact CG1-CZ 4.23Å; I227-F229 HydrophobicContact CD1-CE1 4.12Å; I227-F229 HydrophobicContact CD1-CZ 3.92Å; F229-L232 HydrophobicContact CB-CD1 3.46Å; F229-L232 VanDerWaalsContact CB-CD1 3.46Å; F229-L232 HydrophobicContact CB-CG 4.12Å; F229-L232 HydrophobicContact CD1-CD1 4.01Å; F229-L232 HydrophobicContact CD2-CD1 4.07Å; F229-L232 HydrophobicContact CG-CD1 3.6Å; F229-L238 HydrophobicContact CD2-CB 4.08Å; F229-N239 WeakPolarHBondContact O-CA 3.34Å; F229-E240 PolarHBondContact O-N 3.34Å; F229-F243 AromaticContact CD2-CD2 3.76Å; F229-F243 HydrophobicContact CD2-CD2 3.76Å; F229-F243 AromaticContact CD2-CE2 3.57Å; F229-F243 HydrophobicContact CD2-CE2 3.57Å; F229-F243 AromaticContact CE2-CD2 3.54Å; F229-F243 HydrophobicContact CE2-CD2 3.54Å; F229-F243 AromaticContact CE2-CE2 3.65Å; F229-F243 HydrophobicContact CE2-CE2 3.65Å; F229-F243 HydrophobicContact CE2-CG 4.36Å; F229-I255 HydrophobicContact CE2-CD1 3.63Å; F229-I255 HydrophobicContact CZ-CD1 3.78Å; F229-F271 CarbonylContact C-O 3.59Å; F229-F271 WeakPolarHBondContact CA-O 3.31Å; F229-V272 HydrophobicContact CD1-CG2 3.65Å; F229-V272 HydrophobicContact CE1-CG2 3.63Å
230	T	86.5	Confident	88.2	Confident	31 Å²	31	61.9 Å²	61.9	19%	0.19	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.1	168.3	61.8	0	0	0	0	109.5	L232 N239 E240 G270 F271	T230-L232 VanDerWaalsContact C-N 3.28Å; T230-L232 PolarHBondContact O-N 3.41Å; T230-N239 VanDerWaalsContact C-OD1 3.27Å; T230-N239 WeakPolarHBondContact CA-OD1 3.41Å; T230-E240 WeakPolarHBondContact CG2-OE1 3.44Å; T230-G270 WeakPolarHBondContact O-CA 3.42Å; T230-F271 PolarHBondContact N-O 2.84Å; T230-F271 PolarHBondContact O-N 2.97Å; T230-F271 PolarHBondContact OG1-O 2.94Å
231	E	84.6	Confident	88.4	Confident	81 Å²	81	61.9 Å²	61.9	38%	0.379	30%	0.303	S	S	.	.			trans	61.3	22.4	173	-53.4	-177.6	156.1	0	0	116.8	K233 N239 F940 R943	E231-K233 PolarHBondContact O-N 3.32Å; E231-N239 PolarHBondContact N-OD1 3.39Å; E231-F940 HydrophobicContact CB-CZ 4.45Å; E231-F940 WeakPolarHBondContact OE2-CE1 3.33Å; E231-F940 WeakPolarHBondContact OE2-CZ 3.44Å; E231-R943 VanDerWaalsContact CD-NH1 3.32Å; E231-R943 IonicContact OE1-CZ 3.55Å; E231-R943 IonicContact OE1-NH1 3.39Å; E231-R943 PolarHBondContact OE1-NH1 3.28Å; E231-R943 IonicContact OE1-NH2 3.91Å; E231-R943 PolarHBondContact OE1-NH2 3.21Å; E231-R943 IonicContact OE2-CZ 2.69Å; E231-R943 IonicContact OE2-NH1 2.66Å; E231-R943 PolarHBondContact OE2-NH1 3.05Å; E231-R943 IonicContact OE2-NH2 3.05Å; E231-R943 PolarHBondContact OE2-NH2 3.02Å
232	L	85	Confident	88.6	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	32%	0.317	C	S	.	.			trans	-68.2	117.4	166.9	-63.2	168.4	0	0	0	109.8	I198 I201 F229 T230 V235 L238 N239 Y266 G269	I198-L232 HydrophobicContact CD1-CD2 3.81Å; I201-L232 HydrophobicContact CD1-CD2 3.76Å; F229-L232 HydrophobicContact CB-CD1 3.46Å; F229-L232 VanDerWaalsContact CB-CD1 3.46Å; F229-L232 HydrophobicContact CB-CG 4.12Å; F229-L232 HydrophobicContact CD1-CD1 4.01Å; F229-L232 HydrophobicContact CD2-CD1 4.07Å; F229-L232 HydrophobicContact CG-CD1 3.6Å; T230-L232 VanDerWaalsContact C-N 3.28Å; T230-L232 PolarHBondContact O-N 3.41Å; L232-V235 HydrophobicContact CB-CG2 3.9Å; L232-V235 HydrophobicContact CD1-CG2 3.98Å; L232-V235 HydrophobicContact CD2-CG2 4.26Å; L232-V235 HydrophobicContact CG-CG2 4.29Å; L232-L238 HydrophobicContact CD1-CB 3.7Å; L232-L238 HydrophobicContact CD1-CD1 4.4Å; L232-N239 WeakPolarHBondContact CB-OD1 3.42Å; L232-N239 WeakPolarHBondContact CG-OD1 3.42Å; L232-N239 PolarHBondContact N-ND2 2.91Å; L232-N239 PolarHBondContact N-OD1 2.83Å; L232-N239 PolarHBondContact O-ND2 3.5Å; L232-Y266 HydrophobicContact CD2-CD2 4.45Å; L232-Y266 HydrophobicContact CD2-CE2 3.74Å; L232-G269 WeakPolarHBondContact CD2-O 3.44Å
233	K	79	Confident	88.6	Confident	116 Å²	116	57.9 Å²	57.9	50%	0.504	28%	0.284	S	S	.	.	S	Bend	trans	-76.8	-52.5	-175.6	-66	177.4	-174.1	160.5	0	113.5	E231 D268	E231-K233 PolarHBondContact O-N 3.32Å; K233-D268 IonicContact NZ-OD2 3.69Å; K233-D268 PolarHBondContact NZ-OD2 2.84Å
234	N	77.4	Confident	88.6	Confident	92 Å²	92	57.2 Å²	57.2	49%	0.492	29%	0.285	S	S	.	.	S	Bend	trans	-92.1	-10.8	-171.8	-74.3	17.3	0	0	0	114.1	S267	N234-S267 WeakPolarHBondContact ND2-CB 3.21Å; N234-S267 PolarHBondContact ND2-OG 3.04Å; N234-S267 PolarHBondContact OD1-OG 3.16Å
235	V	80.4	Confident	88.7	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.252	C	S	.	.			trans	-127.4	53	175.5	-63.6	0	0	0	0	110.7	L232 M237 L238 I262	L232-V235 HydrophobicContact CB-CG2 3.9Å; L232-V235 HydrophobicContact CD1-CG2 3.98Å; L232-V235 HydrophobicContact CD2-CG2 4.26Å; L232-V235 HydrophobicContact CG-CG2 4.29Å; V235-M237 PolarHBondContact O-N 2.98Å; V235-L238 HydrophobicContact CB-CD1 4.27Å; V235-L238 HydrophobicContact CG2-CD1 4.06Å; V235-L238 PolarHBondContact O-N 2.88Å; V235-I262 HydrophobicContact CB-CG2 4.17Å; V235-I262 HydrophobicContact CG1-CG2 3.33Å
236	P	82.2	Confident	88.9	Confident	74 Å²	74	55.2 Å²	55.2	48%	0.481	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21	-169.2	28.6	-36.4	0	0	0	113.1	L238 N239	P236-L238 PolarHBondContact O-N 3.33Å; P236-N239 WeakPolarHBondContact O-CB 3.39Å; P236-N239 PolarHBondContact O-N 3.2Å
237	M	84.6	Confident	88.9	Confident	101 Å²	101	56.3 Å²	56.3	50%	0.498	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-63.6	-14.5	175.2	68.2	-172.6	84	0	0	114.6	V235 R241 I262	V235-M237 PolarHBondContact O-N 2.98Å; M237-R241 WeakPolarHBondContact O-CD 3.49Å; M237-I262 HydrophobicContact CE-CG1 4.29Å; M237-I262 HydrophobicContact CG-CD1 4.12Å; M237-I262 HydrophobicContact SD-CD1 3.66Å; M237-I262 HydrophobicContact SD-CG1 3.63Å
238	L	88.1	Confident	88.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-89.4	-19.1	172.9	-61.3	-178.4	0	0	0	112.6	L209 F229 L232 V235 P236 R241 F243 T257 I262	L209-L238 HydrophobicContact CD1-CD1 3.92Å; F229-L238 HydrophobicContact CD2-CB 4.08Å; L232-L238 HydrophobicContact CD1-CB 3.7Å; L232-L238 HydrophobicContact CD1-CD1 4.4Å; V235-L238 HydrophobicContact CB-CD1 4.27Å; V235-L238 HydrophobicContact CG2-CD1 4.06Å; V235-L238 PolarHBondContact O-N 2.88Å; P236-L238 PolarHBondContact O-N 3.33Å; L238-R241 PolarHBondContact O-N 3.02Å; L238-F243 HydrophobicContact CD2-CE1 4.37Å; L238-F243 HydrophobicContact CD2-CZ 3.78Å; L238-T257 HydrophobicContact CD2-CG2 4.39Å; L238-I262 HydrophobicContact CD2-CD1 4.17Å; L238-I262 HydrophobicContact CG-CD1 4.37Å
239	N	89.1	Confident	88.9	Confident	34 Å²	34	59.6 Å²	59.6	18%	0.182	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-62.6	146.3	177.8	-68.2	-37.4	0	0	0	110.7	F229 T230 E231 L232 P236 R241	F229-N239 WeakPolarHBondContact O-CA 3.34Å; T230-N239 VanDerWaalsContact C-OD1 3.27Å; T230-N239 WeakPolarHBondContact CA-OD1 3.41Å; E231-N239 PolarHBondContact N-OD1 3.39Å; L232-N239 WeakPolarHBondContact CB-OD1 3.42Å; L232-N239 WeakPolarHBondContact CG-OD1 3.42Å; L232-N239 PolarHBondContact N-ND2 2.91Å; L232-N239 PolarHBondContact N-OD1 2.83Å; L232-N239 PolarHBondContact O-ND2 3.5Å; P236-N239 WeakPolarHBondContact O-CB 3.39Å; P236-N239 PolarHBondContact O-N 3.2Å; N239-R241 PolarHBondContact O-N 3.04Å
240	E	88.3	Confident	89	Confident	121 Å²	121	63 Å²	63	57%	0.565	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	2.2	-179.2	-53.6	-54.1	143	0	0	115.7	R228 F229 T230	R228-E240 WeakPolarHBondContact CD-OE2 3.22Å; F229-E240 PolarHBondContact O-N 3.34Å; T230-E240 WeakPolarHBondContact CG2-OE1 3.44Å
241	R	91.3	Very high	89.3	Confident	126 Å²	126	63.7 Å²	63.7	48%	0.475	32%	0.32	S	S	.	.			trans	-91.4	149.4	171	-65.1	-178	67.5	-169.6	-1.5	110.4	R228 M237 L238 N239 F243	R228-R241 WeakPolarHBondContact CA-O 3.38Å; M237-R241 WeakPolarHBondContact O-CD 3.49Å; L238-R241 PolarHBondContact O-N 3.02Å; N239-R241 PolarHBondContact O-N 3.04Å; R241-F243 HydrophobicContact CB-CE2 3.52Å; R241-F243 HydrophobicContact CB-CZ 3.59Å; R241-F243 WeakPolarHBondContact O-CD2 3.44Å; R241-F243 WeakPolarHBondContact O-CE2 3.16Å
242	E	93.8	Very high	89.8	Confident	72 Å²	72	61.8 Å²	61.8	34%	0.336	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.7	-177.3	-68.8	172	164	0	0	110.6	V226 I227 R228 V275 K277	V226-E242 HydrophobicContact CG1-CB 3.69Å; V226-E242 HydrophobicContact CG1-CG 4.28Å; I227-E242 CarbonylContact O-C 3.56Å; I227-E242 VanDerWaalsContact O-CA 3.26Å; I227-E242 WeakPolarHBondContact O-CA 3.34Å; R228-E242 HydrophobicContact CB-CG 4.37Å; R228-E242 IonicContact CZ-OE1 3.92Å; R228-E242 IonicContact NE-OE1 3.71Å; R228-E242 IonicContact NH2-OE1 2.75Å; R228-E242 PolarHBondContact NH2-OE1 2.95Å; E242-V275 HydrophobicContact CG-CG2 4.34Å; E242-K277 VanDerWaalsContact CD-NZ 3.26Å; E242-K277 IonicContact OE1-NZ 3.61Å; E242-K277 PolarHBondContact OE1-NZ 3.26Å; E242-K277 VanDerWaalsContact OE2-CE 3.32Å; E242-K277 WeakPolarHBondContact OE2-CE 3.46Å; E242-K277 IonicContact OE2-NZ 3.3Å; E242-K277 PolarHBondContact OE2-NZ 2.85Å
243	F	94.1	Very high	90.3	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.022	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.1	-175.2	-58	-87.6	0	0	0	109.9	V226 I227 F229 L238 R241 I255 T257	V226-F243 WeakPolarHBondContact CA-O 3.31Å; I227-F243 HydrophobicContact CG1-CB 4.23Å; I227-F243 PolarHBondContact N-O 3.09Å; I227-F243 PolarHBondContact O-N 2.84Å; F229-F243 AromaticContact CD2-CD2 3.76Å; F229-F243 HydrophobicContact CD2-CD2 3.76Å; F229-F243 AromaticContact CD2-CE2 3.57Å; F229-F243 HydrophobicContact CD2-CE2 3.57Å; F229-F243 AromaticContact CE2-CD2 3.54Å; F229-F243 HydrophobicContact CE2-CD2 3.54Å; F229-F243 AromaticContact CE2-CE2 3.65Å; F229-F243 HydrophobicContact CE2-CE2 3.65Å; F229-F243 HydrophobicContact CE2-CG 4.36Å; L238-F243 HydrophobicContact CD2-CE1 4.37Å; L238-F243 HydrophobicContact CD2-CZ 3.78Å; R241-F243 HydrophobicContact CB-CE2 3.52Å; R241-F243 HydrophobicContact CB-CZ 3.59Å; R241-F243 WeakPolarHBondContact O-CD2 3.44Å; R241-F243 WeakPolarHBondContact O-CE2 3.16Å; F243-I255 HydrophobicContact CB-CB 4.07Å; F243-I255 HydrophobicContact CB-CD1 4.44Å; F243-I255 HydrophobicContact CB-CG2 3.7Å; F243-I255 HydrophobicContact CD1-CD1 4.06Å; F243-I255 HydrophobicContact CD2-CD1 4.42Å; F243-I255 HydrophobicContact CE1-CD1 4.45Å; F243-I255 HydrophobicContact CG-CB 4.48Å; F243-I255 HydrophobicContact CG-CD1 4.04Å; F243-I255 HydrophobicContact CG-CG2 4.44Å; F243-T257 HydrophobicContact CE1-CG2 4.28Å
244	P	95.1	Very high	91.1	Very high	80 Å²	80	56.8 Å²	56.8	52%	0.519	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.4	164.9	29.9	-33	0	0	0	109.2	D225	D225-P244 CarbonylContact O-C 3.48Å; D225-P244 WeakPolarHBondContact O-CA 3.24Å
245	I	94.4	Very high	91.9	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	153.8	-177	62.8	132.8	0	0	0	112.8	L221 E222 N224 D225 I227 V247 L253 I254 I255	L221-I245 HydrophobicContact CB-CD1 3.74Å; L221-I245 HydrophobicContact CD1-CD1 4.22Å; E222-I245 WeakPolarHBondContact O-CD1 3.45Å; N224-I245 PolarHBondContact N-O 3.28Å; D225-I245 HydrophobicContact CB-CD1 4.17Å; D225-I245 HydrophobicContact CB-CG1 3.82Å; D225-I245 WeakPolarHBondContact O-CG1 3.39Å; D225-I245 PolarHBondContact O-N 3.32Å; I227-I245 HydrophobicContact CB-CG2 4.23Å; I227-I245 HydrophobicContact CD1-CG2 3.63Å; I227-I245 HydrophobicContact CG1-CG2 3.58Å; I227-I245 HydrophobicContact CG2-CG2 3.73Å; I245-V247 HydrophobicContact CD1-CG2 3.78Å; I245-L253 HydrophobicContact CD1-CD1 4.24Å; I245-L253 HydrophobicContact CD1-CD2 3.43Å; I245-L253 VanDerWaalsContact CD1-CD2 3.43Å; I245-L253 HydrophobicContact CD1-CG 4.35Å; I245-I254 WeakPolarHBondContact CA-O 3.39Å; I245-I255 HydrophobicContact CG2-CG2 3.94Å
246	R	96.6	Very high	92.3	Very high	123 Å²	123	56.6 Å²	56.6	46%	0.464	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	160.9	-178.4	176.6	65.8	-161.5	-7	108.7	E208 I254	E208-R246 IonicContact OE1-CZ 3.67Å; E208-R246 IonicContact OE1-NH1 3.76Å; E208-R246 IonicContact OE1-NH2 2.89Å; E208-R246 PolarHBondContact OE1-NH2 2.89Å; E208-R246 IonicContact OE2-NH2 3.93Å; R246-I254 HydrophobicContact CB-CB 4.4Å; R246-I254 PolarHBondContact N-O 3.22Å; R246-I254 PolarHBondContact O-N 3.23Å
247	V	95.5	Very high	92.5	Very high	43 Å²	43	53.9 Å²	53.9	26%	0.261	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	126.7	177.3	179.8	0	0	0	0	109.3	L221 N223 I245 L253	L221-V247 WeakPolarHBondContact O-CG2 3.49Å; N223-V247 PolarHBondContact OD1-N 3.28Å; I245-V247 HydrophobicContact CD1-CG2 3.78Å; V247-L253 HydrophobicContact CB-CD2 4.29Å; V247-L253 HydrophobicContact CG1-CD2 4.5Å; V247-L253 HydrophobicContact CG2-CD2 3.86Å
248	K	95.4	Very high	92.1	Very high	111 Å²	111	53.4 Å²	53.4	48%	0.483	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-41.8	175.1	-178.1	-171.6	170.1	-142.7	0	111.3	L210 E252 I254	L210-K248 HydrophobicContact CD1-CD 3.58Å; K248-E252 HydrophobicContact CB-CB 4.18Å; K248-E252 HydrophobicContact CD-CB 4.26Å; K248-E252 WeakPolarHBondContact CD-OE2 3.41Å; K248-E252 VanDerWaalsContact CE-OE2 3.31Å; K248-E252 WeakPolarHBondContact CE-OE2 3.38Å; K248-E252 PolarHBondContact N-O 3.05Å; K248-E252 VanDerWaalsContact NZ-CD 3.32Å; K248-E252 IonicContact NZ-OE1 3.21Å; K248-E252 PolarHBondContact NZ-OE1 2.91Å; K248-E252 IonicContact NZ-OE2 2.64Å; K248-E252 PolarHBondContact NZ-OE2 3.36Å; K248-I254 HydrophobicContact CB-CD1 4.34Å; K248-I254 HydrophobicContact CB-CG1 4.4Å; K248-I254 HydrophobicContact CD-CD1 4.32Å
249	S	94.8	Very high	91.3	Very high	30 Å²	30	53.3 Å²	53.3	21%	0.21	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	167.9	174.3	72.5	0	0	0	0	108.6	H219 S251 E252	H219-S249 PolarHBondContact NE2-O 3.17Å; S249-S251 PolarHBondContact O-N 2.96Å; S249-E252 PolarHBondContact N-O 2.85Å; S249-E252 PolarHBondContact O-N 2.69Å; S249-E252 WeakPolarHBondContact OG-CB 3.32Å; S249-E252 WeakPolarHBondContact OG-CG 3.17Å; S249-E252 PolarHBondContact OG-N 3.47Å; S249-E252 PolarHBondContact OG-OE2 2.79Å
250	P	92	Very high	90.2	Very high	73 Å²	73	58.6 Å²	58.6	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.1	180	-27.4	35.9	0	0	0	116.2	R218 H219	R218-P250 CarbonylContact C-O 3.55Å; R218-P250 WeakPolarHBondContact CA-O 3.43Å; R218-P250 HydrophobicContact CB-CB 4.48Å; R218-P250 WeakPolarHBondContact CB-O 3.32Å; R218-P250 HydrophobicContact CG-CB 3.93Å; H219-P250 PolarHBondContact CD2-O 3.11Å; H219-P250 PolarHBondContact N-O 3.15Å; H219-P250 VanDerWaalsContact NE2-C 3.3Å; H219-P250 PolarHBondContact NE2-O 2.89Å
251	S	93.2	Very high	88.9	Confident	44 Å²	44	60 Å²	60	31%	0.308	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	3.3	178.8	59.1	0	0	0	0	113.7	V213 S249	V213-S251 WeakPolarHBondContact CG2-O 3.45Å; V213-S251 PolarHBondContact N-O 2.88Å; S249-S251 PolarHBondContact O-N 2.96Å
252	E	95.3	Very high	87.7	Confident	42 Å²	42	55 Å²	55	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.3	-176.1	-63.4	-179	129.7	0	0	112.7	L210 I211 T212 K248 S249	L210-E252 HydrophobicContact CD1-CB 4.09Å; I211-E252 CarbonylContact O-C 3.56Å; I211-E252 VanDerWaalsContact O-CA 3.3Å; I211-E252 WeakPolarHBondContact O-CA 3.09Å; T212-E252 HydrophobicContact CG2-CG 4.4Å; K248-E252 HydrophobicContact CB-CB 4.18Å; K248-E252 HydrophobicContact CD-CB 4.26Å; K248-E252 WeakPolarHBondContact CD-OE2 3.41Å; K248-E252 VanDerWaalsContact CE-OE2 3.31Å; K248-E252 WeakPolarHBondContact CE-OE2 3.38Å; K248-E252 PolarHBondContact N-O 3.05Å; K248-E252 VanDerWaalsContact NZ-CD 3.32Å; K248-E252 IonicContact NZ-OE1 3.21Å; K248-E252 PolarHBondContact NZ-OE1 2.91Å; K248-E252 IonicContact NZ-OE2 2.64Å; K248-E252 PolarHBondContact NZ-OE2 3.36Å; S249-E252 PolarHBondContact N-O 2.85Å; S249-E252 PolarHBondContact O-N 2.69Å; S249-E252 WeakPolarHBondContact OG-CB 3.32Å; S249-E252 WeakPolarHBondContact OG-CG 3.17Å; S249-E252 PolarHBondContact OG-N 3.47Å; S249-E252 PolarHBondContact OG-OE2 2.79Å
253	L	95.5	Very high	86.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.4	-179.4	-59	171.8	0	0	0	110.5	F196 I211 H219 L221 I245 V247	F196-L253 HydrophobicContact CE1-CD1 4.15Å; F196-L253 HydrophobicContact CZ-CD1 3.67Å; I211-L253 HydrophobicContact CB-CB 4.4Å; I211-L253 HydrophobicContact CD1-CB 4.5Å; I211-L253 PolarHBondContact N-O 3.43Å; I211-L253 PolarHBondContact O-N 3.03Å; H219-L253 HydrophobicContact CB-CD1 4.09Å; H219-L253 VanDerWaalsContact CE1-CD2 3.46Å; H219-L253 WeakPolarHBondContact CE1-CD2 3.22Å; H219-L253 WeakPolarHBondContact NE2-CD2 3.41Å; L221-L253 HydrophobicContact CD1-CD1 3.82Å; I245-L253 HydrophobicContact CD1-CD1 4.24Å; I245-L253 HydrophobicContact CD1-CD2 3.43Å; I245-L253 VanDerWaalsContact CD1-CD2 3.43Å; I245-L253 HydrophobicContact CD1-CG 4.35Å; V247-L253 HydrophobicContact CB-CD2 4.29Å; V247-L253 HydrophobicContact CG1-CD2 4.5Å; V247-L253 HydrophobicContact CG2-CD2 3.86Å
254	I	95.3	Very high	85	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.072	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.8	173.1	-59	173.7	0	0	0	108.9	I204 E208 L209 L210 I245 R246 K248	I204-I254 HydrophobicContact CD1-CD1 3.9Å; I204-I254 HydrophobicContact CD1-CG1 3.99Å; I204-I254 HydrophobicContact CD1-CG2 4.18Å; E208-I254 HydrophobicContact CB-CG2 4.11Å; E208-I254 HydrophobicContact CG-CG2 4.24Å; L209-I254 VanDerWaalsContact O-CA 3.31Å; L209-I254 WeakPolarHBondContact O-CA 3.37Å; L210-I254 HydrophobicContact CD1-CG1 4.07Å; I245-I254 WeakPolarHBondContact CA-O 3.39Å; R246-I254 HydrophobicContact CB-CB 4.4Å; R246-I254 PolarHBondContact N-O 3.22Å; R246-I254 PolarHBondContact O-N 3.23Å; K248-I254 HydrophobicContact CB-CD1 4.34Å; K248-I254 HydrophobicContact CB-CG1 4.4Å; K248-I254 HydrophobicContact CD-CD1 4.32Å
255	I	94	Very high	83.7	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.2	167.5	59.5	168.6	0	0	0	110.1	E208 L209 I211 I227 F229 F243 I245	E208-I255 WeakPolarHBondContact CA-O 3.14Å; L209-I255 HydrophobicContact CB-CD1 4.28Å; L209-I255 HydrophobicContact CB-CG1 3.8Å; L209-I255 HydrophobicContact CD1-CD1 4.14Å; L209-I255 HydrophobicContact CG-CG1 4.5Å; L209-I255 PolarHBondContact N-O 3.38Å; L209-I255 PolarHBondContact O-N 2.83Å; I211-I255 HydrophobicContact CD1-CB 4.49Å; I211-I255 HydrophobicContact CD1-CD1 4.22Å; I211-I255 HydrophobicContact CD1-CG1 4.09Å; I211-I255 HydrophobicContact CD1-CG2 3.71Å; I227-I255 HydrophobicContact CD1-CG2 4.04Å; I227-I255 HydrophobicContact CG1-CG2 4.46Å; F229-I255 HydrophobicContact CE2-CD1 3.63Å; F229-I255 HydrophobicContact CZ-CD1 3.78Å; F243-I255 HydrophobicContact CB-CB 4.07Å; F243-I255 HydrophobicContact CB-CD1 4.44Å; F243-I255 HydrophobicContact CB-CG2 3.7Å; F243-I255 HydrophobicContact CD1-CD1 4.06Å; F243-I255 HydrophobicContact CD2-CD1 4.42Å; F243-I255 HydrophobicContact CE1-CD1 4.45Å; F243-I255 HydrophobicContact CG-CB 4.48Å; F243-I255 HydrophobicContact CG-CD1 4.04Å; F243-I255 HydrophobicContact CG-CG2 4.44Å; I245-I255 HydrophobicContact CG2-CG2 3.94Å
256	T	90.4	Very high	82.6	Confident	89 Å²	89	64.9 Å²	64.9	55%	0.546	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121	174.3	-53.2	0	0	0	0	109.5	E207	E207-T256 CarbonylContact O-C 3.56Å; E207-T256 WeakPolarHBondContact O-CA 3.4Å; E207-T256 WeakPolarHBondContact O-CG2 3.4Å
257	T	85.1	Confident	81.2	Confident	17 Å²	17	62.2 Å²	62.2	10%	0.104	34%	0.342	C	S	.	.			trans	-157.3	151.4	175	-160	0	0	0	0	110.5	E207 L209 L238 F243 I259	E207-T257 CarbonylContact C-O 3.43Å; E207-T257 VanDerWaalsContact CA-O 3.22Å; E207-T257 WeakPolarHBondContact CA-O 3.4Å; E207-T257 PolarHBondContact O-N 2.91Å; L209-T257 HydrophobicContact CD1-CG2 4.3Å; L238-T257 HydrophobicContact CD2-CG2 4.39Å; F243-T257 HydrophobicContact CE1-CG2 4.28Å; T257-I259 HydrophobicContact CG2-CD1 4.01Å; T257-I259 HydrophobicContact CG2-CG1 3.55Å; T257-I259 WeakPolarHBondContact O-CD1 3.47Å; T257-I259 WeakPolarHBondContact O-CG1 3.33Å; T257-I259 PolarHBondContact O-N 2.93Å
258	S	76.5	Confident	79.9	Confident	90 Å²	90	61.7 Å²	61.7	63%	0.629	34%	0.338	S	S	*	.			trans	-73.2	117.7	177.1	179.9	0	0	0	0	110.2
259	I	71.3	Confident	78.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.315	C	S	.	.			trans	-120.5	33	-170.3	-50.1	133.8	0	0	0	110.6	K203 D206 L209 T257 D261 I262 F264	K203-I259 HydrophobicContact CD-CG2 4.27Å; K203-I259 PolarHBondContact NZ-O 3.17Å; D206-I259 PolarHBondContact O-N 3.33Å; L209-I259 HydrophobicContact CD1-CD1 4.29Å; L209-I259 HydrophobicContact CD1-CG1 4.28Å; L209-I259 HydrophobicContact CD2-CD1 3.57Å; L209-I259 HydrophobicContact CD2-CG1 4.09Å; L209-I259 HydrophobicContact CD2-CG2 4.21Å; L209-I259 HydrophobicContact CG-CD1 3.53Å; L209-I259 HydrophobicContact CG-CG1 4.04Å; T257-I259 HydrophobicContact CG2-CD1 4.01Å; T257-I259 HydrophobicContact CG2-CG1 3.55Å; T257-I259 WeakPolarHBondContact O-CD1 3.47Å; T257-I259 WeakPolarHBondContact O-CG1 3.33Å; T257-I259 PolarHBondContact O-N 2.93Å; I259-D261 VanDerWaalsContact C-N 3.26Å; I259-D261 PolarHBondContact O-N 3.49Å; I259-I262 HydrophobicContact CG2-CB 3.69Å; I259-I262 HydrophobicContact CG2-CD1 3.98Å; I259-I262 HydrophobicContact CG2-CG1 3.84Å; I259-F264 HydrophobicContact CG2-CD2 4.42Å; I259-F264 HydrophobicContact CG2-CE2 3.65Å
260	K	65.2	Low	78.2	Confident	144 Å²	144	55 Å²	55	63%	0.626	31%	0.306	S	S	*	.	S	Bend	trans	-66.3	-30.1	-176.4	-65.8	-171.4	179.9	-179.2	0	112.8
261	D	62.3	Low	77.9	Confident	152 Å²	152	52.9 Å²	52.9	81%	0.813	29%	0.289	S	S	*	.	S	Bend	trans	-113.6	6.5	-170.7	-54.8	-44.8	0	0	0	114.7	I259	I259-D261 VanDerWaalsContact C-N 3.26Å; I259-D261 PolarHBondContact O-N 3.49Å
262	I	66.6	Low	77.7	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.097	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-89.1	118.5	-178	-49.9	-164.3	0	0	0	110.2	V235 M237 L238 I259 F264	V235-I262 HydrophobicContact CB-CG2 4.17Å; V235-I262 HydrophobicContact CG1-CG2 3.33Å; M237-I262 HydrophobicContact CE-CG1 4.29Å; M237-I262 HydrophobicContact CG-CD1 4.12Å; M237-I262 HydrophobicContact SD-CD1 3.66Å; M237-I262 HydrophobicContact SD-CG1 3.63Å; L238-I262 HydrophobicContact CD2-CD1 4.17Å; L238-I262 HydrophobicContact CG-CD1 4.37Å; I259-I262 HydrophobicContact CG2-CB 3.69Å; I259-I262 HydrophobicContact CG2-CD1 3.98Å; I259-I262 HydrophobicContact CG2-CG1 3.84Å; I262-F264 HydrophobicContact CB-CE2 4.16Å; I262-F264 HydrophobicContact CG2-CD2 4.25Å; I262-F264 HydrophobicContact CG2-CE2 3.85Å; I262-F264 PolarHBondContact O-N 3.37Å
263	Q	63.2	Low	77.5	Confident	175 Å²	175	51.5 Å²	51.5	82%	0.818	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-73.2	117.2	174.5	-76	-178.1	-10.2	0	0	111.1
264	F	68.2	Low	77.3	Confident	59 Å²	59	52.3 Å²	52.3	26%	0.259	28%	0.283	S	S	.	.	S	Bend	trans	-100.7	155.7	170.1	-84.5	-89.8	0	0	0	110.2	I201 K203 L209 I259 I262	I201-F264 HydrophobicContact CB-CE1 4.36Å; I201-F264 HydrophobicContact CG2-CE1 3.92Å; I201-F264 HydrophobicContact CG2-CZ 4.1Å; K203-F264 HydrophobicContact CB-CD2 4.31Å; K203-F264 HydrophobicContact CB-CE2 4.31Å; K203-F264 HydrophobicContact CD-CD2 4.42Å; L209-F264 HydrophobicContact CD1-CZ 4.3Å; L209-F264 HydrophobicContact CD2-CE1 4.32Å; L209-F264 HydrophobicContact CD2-CE2 3.9Å; L209-F264 HydrophobicContact CD2-CZ 3.42Å; L209-F264 VanDerWaalsContact CD2-CZ 3.42Å; I259-F264 HydrophobicContact CG2-CD2 4.42Å; I259-F264 HydrophobicContact CG2-CE2 3.65Å; I262-F264 HydrophobicContact CB-CE2 4.16Å; I262-F264 HydrophobicContact CG2-CD2 4.25Å; I262-F264 HydrophobicContact CG2-CE2 3.85Å; I262-F264 PolarHBondContact O-N 3.37Å
265	P	66.5	Low	77.2	Confident	110 Å²	110	52.7 Å²	52.7	71%	0.714	29%	0.286	S	S	*	.	S	Bend	cis	-84.2	151.8	12.3	32.8	-35	0	0	0	114.5	S267	P265-S267 PolarHBondContact O-N 3.04Å
266	Y	71.5	Confident	76.9	Confident	26 Å²	26	54.4 Å²	54.4	10%	0.102	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-54.9	129.3	162.3	166.9	-95.1	0	0	0	109.5	I198 I201 L232 G269	I198-Y266 HydrophobicContact CG2-CE1 4.49Å; I201-Y266 HydrophobicContact CB-CD2 4.27Å; I201-Y266 HydrophobicContact CB-CG 4.07Å; I201-Y266 HydrophobicContact CD1-CD2 3.82Å; I201-Y266 HydrophobicContact CD1-CE2 3.95Å; I201-Y266 HydrophobicContact CD1-CG 4.46Å; I201-Y266 HydrophobicContact CG1-CD2 4.01Å; I201-Y266 HydrophobicContact CG1-CE2 4.24Å; I201-Y266 HydrophobicContact CG1-CG 4.18Å; L232-Y266 HydrophobicContact CD2-CD2 4.45Å; L232-Y266 HydrophobicContact CD2-CE2 3.74Å; Y266-G269 WeakPolarHBondContact CE2-O 3.45Å; Y266-G269 PolarHBondContact OH-N 3.35Å; Y266-G269 PolarHBondContact OH-O 3.36Å
267	S	66.9	Low	76.9	Confident	68 Å²	68	54.3 Å²	54.3	48%	0.476	29%	0.285	S	S	.	.			trans	-93.1	-46.1	-172.7	61.7	0	0	0	0	114	N234 P265	N234-S267 WeakPolarHBondContact ND2-CB 3.21Å; N234-S267 PolarHBondContact ND2-OG 3.04Å; N234-S267 PolarHBondContact OD1-OG 3.16Å; P265-S267 PolarHBondContact O-N 3.04Å
268	D	69.7	Low	77.3	Confident	32 Å²	32	57 Å²	57	17%	0.171	30%	0.303	C	S	.	.	S	Bend	trans	178	156.3	-172.3	174.3	41.2	0	0	0	110.6	K233	K233-D268 IonicContact NZ-OD2 3.69Å; K233-D268 PolarHBondContact NZ-OD2 2.84Å
269	G	71.6	Confident	78.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.			trans	78.6	146.1	167	0	0	0	0	0	115.6	L232 Y266	L232-G269 WeakPolarHBondContact CD2-O 3.44Å; Y266-G269 WeakPolarHBondContact CE2-O 3.45Å; Y266-G269 PolarHBondContact OH-N 3.35Å; Y266-G269 PolarHBondContact OH-O 3.36Å
270	G	82.1	Confident	79.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.01	32%	0.32	C	S	.	.			trans	147.8	135.4	-179.1	0	0	0	0	0	111.9	I198 T230	I198-G270 PolarHBondContact N-O 3.29Å; T230-G270 WeakPolarHBondContact O-CA 3.42Å
271	F	85	Confident	80.7	Confident	28 Å²	28	56.2 Å²	56.2	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.7	-179.8	178.8	-97.4	0	0	0	109	E195 F197 F229 T230 L273 L767	E195-F271 HydrophobicContact CB-CE1 4.09Å; E195-F271 HydrophobicContact CB-CE2 4.01Å; E195-F271 HydrophobicContact CB-CZ 3.46Å; E195-F271 VanDerWaalsContact CB-CZ 3.46Å; E195-F271 HydrophobicContact CG-CE2 4.31Å; E195-F271 HydrophobicContact CG-CZ 3.89Å; E195-F271 WeakPolarHBondContact OE2-CZ 3.35Å; F197-F271 AromaticContact CD1-CD2 3.95Å; F197-F271 HydrophobicContact CD1-CD2 3.95Å; F197-F271 AromaticContact CE1-CD2 3.76Å; F197-F271 HydrophobicContact CE1-CD2 3.76Å; F197-F271 HydrophobicContact CE1-CE2 4.43Å; F197-F271 HydrophobicContact CG-CD2 4.49Å; F197-F271 HydrophobicContact CZ-CD2 4.15Å; F197-F271 HydrophobicContact CZ-CE2 4.38Å; F229-F271 CarbonylContact C-O 3.59Å; F229-F271 WeakPolarHBondContact CA-O 3.31Å; T230-F271 PolarHBondContact N-O 2.84Å; T230-F271 PolarHBondContact O-N 2.97Å; T230-F271 PolarHBondContact OG1-O 2.94Å; F271-L273 HydrophobicContact CE1-CB 4.39Å; F271-L767 HydrophobicContact CE2-CD2 3.92Å; F271-L767 HydrophobicContact CZ-CD2 4.28Å
272	V	90.4	Very high	82.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.7	179.2	176.3	0	0	0	0	109.3	E195 F196 I198 I227 R228 F229	E195-V272 VanDerWaalsContact CA-O 3.23Å; E195-V272 WeakPolarHBondContact CA-O 3.47Å; F196-V272 HydrophobicContact CD1-CB 4.15Å; F196-V272 HydrophobicContact CD1-CG1 4.27Å; F196-V272 HydrophobicContact CD2-CB 4.08Å; F196-V272 HydrophobicContact CD2-CG2 4.27Å; F196-V272 HydrophobicContact CE1-CB 3.75Å; F196-V272 HydrophobicContact CE1-CG1 3.52Å; F196-V272 HydrophobicContact CE1-CG2 4.43Å; F196-V272 HydrophobicContact CE2-CB 3.69Å; F196-V272 HydrophobicContact CE2-CG1 4.19Å; F196-V272 HydrophobicContact CE2-CG2 3.59Å; F196-V272 HydrophobicContact CG-CB 4.3Å; F196-V272 HydrophobicContact CZ-CB 3.51Å; F196-V272 HydrophobicContact CZ-CG1 3.47Å; F196-V272 VanDerWaalsContact CZ-CG1 3.47Å; F196-V272 HydrophobicContact CZ-CG2 3.68Å; F196-V272 PolarHBondContact N-O 2.86Å; F196-V272 VanDerWaalsContact N-O 3.09Å; F196-V272 PolarHBondContact O-N 3.38Å; I198-V272 HydrophobicContact CD1-CG2 3.78Å; I198-V272 HydrophobicContact CG1-CG2 3.68Å; I227-V272 HydrophobicContact CB-CG1 3.63Å; I227-V272 HydrophobicContact CD1-CG1 3.98Å; I227-V272 HydrophobicContact CG1-CG1 4.36Å; I227-V272 HydrophobicContact CG2-CG1 3.76Å; R228-V272 WeakPolarHBondContact O-CA 3.48Å; F229-V272 HydrophobicContact CD1-CG2 3.65Å; F229-V272 HydrophobicContact CE1-CG2 3.63Å
273	L	89.7	Confident	83.8	Confident	56 Å²	56	52.2 Å²	52.2	29%	0.293	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131	171.4	-179	67.9	0	0	0	109.8	C193 E195 I227 R228 F271	C193-L273 HydrophobicContact CB-CD1 4.08Å; E195-L273 HydrophobicContact CB-CD1 4.28Å; I227-L273 CarbonylContact C-O 3.55Å; I227-L273 WeakPolarHBondContact CA-O 3.34Å; R228-L273 PolarHBondContact N-O 3.41Å; R228-L273 PolarHBondContact O-N 3.48Å; F271-L273 HydrophobicContact CE1-CB 4.39Å
274	Q	92.7	Very high	85.4	Confident	18 Å²	18	48 Å²	48	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.8	169.1	-168.9	-173.1	15.1	0	0	110.5	C193 R194 L221 D225 V226	C193-Q274 HydrophobicContact CB-CB 4.22Å; C193-Q274 WeakPolarHBondContact CB-O 3.41Å; C193-Q274 PolarHBondContact SG-O 3.36Å; C193-Q274 VanDerWaalsContact SG-O 3.4Å; R194-Q274 HydrophobicContact CB-CB 4.25Å; R194-Q274 WeakPolarHBondContact O-CB 3.04Å; R194-Q274 PolarHBondContact O-N 3.1Å; L221-Q274 HydrophobicContact CD2-CB 3.84Å; L221-Q274 HydrophobicContact CD2-CG 3.57Å; D225-Q274 VanDerWaalsContact CG-NE2 3.32Å; D225-Q274 PolarHBondContact OD1-NE2 2.79Å; D225-Q274 PolarHBondContact OD2-NE2 3.49Å; V226-Q274 CarbonylContact O-C 3.59Å; V226-Q274 WeakPolarHBondContact O-CA 3.43Å
275	V	91.5	Very high	86.8	Confident	21 Å²	21	45.9 Å²	45.9	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111	173.5	-178.3	0	0	0	0	108.8	V226 R228 E242 K277	V226-V275 HydrophobicContact CB-CB 4.47Å; V226-V275 HydrophobicContact CG1-CB 4.27Å; V226-V275 PolarHBondContact O-N 3.5Å; R228-V275 HydrophobicContact CB-CG2 3.81Å; E242-V275 HydrophobicContact CG-CG2 4.34Å; V275-K277 HydrophobicContact CG1-CD 4.26Å; V275-K277 PolarHBondContact O-N 3.02Å
276	K	89.3	Confident	88.2	Confident	38 Å²	38	40.6 Å²	40.6	17%	0.165	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-72.3	117.3	171.6	-66.5	-174	176.6	-178.3	0	109.5	T187 D189 E191	T187-K276 HydrophobicContact CG2-CD 4.32Å; D189-K276 IonicContact OD1-NZ 3.33Å; D189-K276 PolarHBondContact OD1-NZ 3.28Å; D189-K276 IonicContact OD2-NZ 3.55Å; E191-K276 PolarHBondContact O-NZ 2.94Å
277	K	90.3	Very high	89.3	Confident	87 Å²	87	43.4 Å²	43.4	38%	0.378	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-88.1	140.4	178.4	-69.2	-56.8	-166.9	175.6	0	110.4	Q188 V226 E242 V275	Q188-K277 PolarHBondContact NE2-O 2.99Å; V226-K277 HydrophobicContact CB-CG 4.27Å; V226-K277 HydrophobicContact CG2-CG 3.83Å; E242-K277 VanDerWaalsContact CD-NZ 3.26Å; E242-K277 IonicContact OE1-NZ 3.61Å; E242-K277 PolarHBondContact OE1-NZ 3.26Å; E242-K277 VanDerWaalsContact OE2-CE 3.32Å; E242-K277 WeakPolarHBondContact OE2-CE 3.46Å; E242-K277 IonicContact OE2-NZ 3.3Å; E242-K277 PolarHBondContact OE2-NZ 2.85Å; V275-K277 HydrophobicContact CG1-CD 4.26Å; V275-K277 PolarHBondContact O-N 3.02Å
278	P	93.1	Very high	90.6	Very high	74 Å²	74	44.8 Å²	44.8	48%	0.481	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-55.7	141.4	172.1	-24.1	33.5	0	0	0	111.6	T184 V185 L186	T184-P278 HydrophobicContact CG2-CB 3.6Å; V185-P278 CarbonylContact O-C 3.57Å; V185-P278 WeakPolarHBondContact O-CA 3.45Å; L186-P278 HydrophobicContact CD2-CG 4.47Å
279	Q	93	Very high	91.8	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.1	178.7	-78.2	176	4	0	0	110.1	T184 V185 Q188	T184-Q279 CarbonylContact C-O 3.31Å; T184-Q279 WeakPolarHBondContact CA-O 3.45Å; V185-Q279 PolarHBondContact N-O 2.82Å; V185-Q279 PolarHBondContact O-N 3.02Å; Q188-Q279 VanDerWaalsContact CG-CD 3.47Å; Q188-Q279 HydrophobicContact CG-CG 4.21Å; Q188-Q279 VanDerWaalsContact CG-OE1 3.23Å; Q188-Q279 VanDerWaalsContact NE2-CG 3.28Å
280	V	95.7	Very high	92.7	Very high	88 Å²	88	44.8 Å²	44.8	53%	0.533	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.5	176.1	-176.3	0	0	0	0	108.7	D182 F183	D182-V280 HydrophobicContact CB-CG1 4.33Å; F183-V280 WeakPolarHBondContact O-CA 3.24Å
281	H	95.3	Very high	92.9	Very high	34 Å²	34	51.2 Å²	51.2	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.2	173.8	-69.6	-98	0	0	0	109.6	F183 V185 F283	F183-H281 PolarHBondContact N-O 2.52Å; F183-H281 PolarHBondContact O-N 3.18Å; V185-H281 VanDerWaalsContact CG2-CD2 3.45Å; V185-H281 WeakPolarHBondContact CG2-CD2 3.33Å; H281-F283 HydrophobicContact CB-CE2 3.89Å
282	T	97	Very high	93	Very high	86 Å²	86	55.4 Å²	55.4	53%	0.528	28%	0.283	S	S	.	.			trans	-100.6	131	173.8	-57.7	0	0	0	0	109.7	S181 N399	S181-T282 VanDerWaalsContact O-CA 3.28Å; S181-T282 WeakPolarHBondContact O-CA 3.37Å; S181-T282 WeakPolarHBondContact O-CB 3.27Å; S181-T282 WeakPolarHBondContact O-CG2 3.42Å; S181-T282 PolarHBondContact O-OG1 3.07Å; T282-N399 PolarHBondContact O-ND2 3.19Å
283	F	97.7	Very high	93.1	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.288	C	S	.	.			trans	-110.9	140.8	173.5	-67.5	-100.9	0	0	0	109.7	R157 C177 D178 F179 G180 F183 H281 P397 I398 N399 Q400	R157-F283 VanDerWaalsContact CZ-O 3.31Å; R157-F283 PolarHBondContact NH1-O 3.09Å; R157-F283 PolarHBondContact NH2-O 3.31Å; C177-F283 HydrophobicContact CB-CE1 4.11Å; C177-F283 VanDerWaalsContact O-CD1 3.26Å; C177-F283 WeakPolarHBondContact O-CD1 3.38Å; D178-F283 WeakPolarHBondContact OD1-CB 3.08Å; F179-F283 HydrophobicContact CB-CD2 4.02Å; F179-F283 HydrophobicContact CB-CE2 3.77Å; F179-F283 HydrophobicContact CB-CZ 4.08Å; F179-F283 HydrophobicContact CD2-CE1 4.39Å; F179-F283 HydrophobicContact CD2-CE2 4.15Å; F179-F283 AromaticContact CD2-CZ 3.73Å; F179-F283 HydrophobicContact CD2-CZ 3.73Å; F179-F283 HydrophobicContact CE2-CZ 4.45Å; F179-F283 HydrophobicContact CG-CE1 4.46Å; F179-F283 HydrophobicContact CG-CE2 4.24Å; F179-F283 HydrophobicContact CG-CZ 4.04Å; G180-F283 WeakPolarHBondContact O-CB 3.31Å; G180-F283 WeakPolarHBondContact O-CD2 3.26Å; G180-F283 PolarHBondContact O-N 2.95Å; G180-F283 VanDerWaalsContact O-N 3.12Å; F183-F283 HydrophobicContact CB-CD2 4.28Å; F183-F283 HydrophobicContact CB-CE2 3.98Å; F183-F283 HydrophobicContact CD1-CE2 4.3Å; F183-F283 HydrophobicContact CG-CE2 4.37Å; H281-F283 HydrophobicContact CB-CE2 3.89Å; F283-P397 HydrophobicContact CE2-CG 4.15Å; F283-P397 HydrophobicContact CZ-CB 3.95Å; F283-P397 HydrophobicContact CZ-CG 3.52Å; F283-I398 WeakPolarHBondContact CE1-O 3.44Å; F283-N399 HydrophobicContact CE1-CB 4.15Å; F283-N399 HydrophobicContact CZ-CB 4.5Å; F283-Q400 HydrophobicContact CD1-CG 4.1Å
284	E	96.9	Very high	93.4	Very high	86 Å²	86	58.7 Å²	58.7	40%	0.402	30%	0.297	S	S	.	.			trans	-90.1	154.6	167	-64.9	-177.9	171	0	0	110.1	E288 Q289 Q400	E284-E288 HydrophobicContact CB-CB 4.11Å; E284-Q289 HydrophobicContact CB-CG 3.79Å; E284-Q289 PolarHBondContact OE2-NE2 3.48Å; E284-Q400 PolarHBondContact O-NE2 3.48Å
285	T	97.3	Very high	93.5	Very high	14 Å²	14	60 Å²	60	9%	0.086	31%	0.305	C	S	.	.			trans	-68.8	158.2	177.8	61.5	0	0	0	0	110.7	D153 L154 R157 L287 E288 Q289	D153-T285 WeakPolarHBondContact OD2-CA 3.4Å; D153-T285 WeakPolarHBondContact OD2-CB 3.37Å; L154-T285 HydrophobicContact CD2-CG2 4.04Å; R157-T285 HydrophobicContact CG-CG2 4.35Å; T285-L287 PolarHBondContact O-N 2.8Å; T285-L287 VanDerWaalsContact O-N 3.17Å; T285-E288 PolarHBondContact N-OE2 3.09Å; T285-E288 PolarHBondContact O-N 2.93Å; T285-E288 WeakPolarHBondContact OG1-CG 3.36Å; T285-E288 PolarHBondContact OG1-OE2 3.22Å; T285-Q289 PolarHBondContact O-N 2.98Å
286	M	96	Very high	93.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.9	-36	174.7	-178.2	172.8	-75.6	0	0	111.6	L146 A149 D153 F163 Y165 F176 E288 Q289 I290 W401	L146-M286 HydrophobicContact CD1-CG 4.49Å; L146-M286 HydrophobicContact CD1-SD 3.82Å; A149-M286 HydrophobicContact CB-CE 4.22Å; A149-M286 HydrophobicContact CB-SD 3.81Å; D153-M286 HydrophobicContact CB-CB 4.15Å; D153-M286 WeakPolarHBondContact OD2-CB 3.46Å; D153-M286 PolarHBondContact OD2-N 3.36Å; F163-M286 HydrophobicContact CE1-CE 3.81Å; F163-M286 HydrophobicContact CZ-CE 4.41Å; Y165-M286 HydrophobicContact CD1-CE 3.97Å; Y165-M286 HydrophobicContact CG-CE 3.89Å; F176-M286 HydrophobicContact CB-CE 4.26Å; F176-M286 HydrophobicContact CD1-CB 4.43Å; F176-M286 HydrophobicContact CD1-CE 3.42Å; F176-M286 VanDerWaalsContact CD1-CE 3.42Å; F176-M286 HydrophobicContact CE1-CB 3.77Å; F176-M286 HydrophobicContact CE1-CE 3.95Å; F176-M286 HydrophobicContact CE1-CG 4.48Å; F176-M286 HydrophobicContact CG-CE 3.93Å; F176-M286 HydrophobicContact CZ-CB 3.95Å; M286-E288 VanDerWaalsContact C-N 3.28Å; M286-E288 PolarHBondContact O-N 3.07Å; M286-Q289 PolarHBondContact O-N 3.19Å; M286-I290 HydrophobicContact CG-CD1 3.85Å; M286-I290 HydrophobicContact CG-CG1 4.16Å; M286-I290 WeakPolarHBondContact O-CD1 3.38Å; M286-I290 WeakPolarHBondContact O-CG1 3.31Å; M286-I290 PolarHBondContact O-N 2.84Å; M286-W401 HydrophobicContact CE-CH2 4.24Å; M286-W401 HydrophobicContact CE-CZ2 4.48Å; M286-W401 HydrophobicContact CG-CZ2 4.5Å
287	L	94.2	Very high	94	Very high	84 Å²	84	60.7 Å²	60.7	44%	0.44	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-35.4	178.9	-177.8	61.7	0	0	0	113	T150 T285	T150-L287 HydrophobicContact CG2-CB 3.8Å; T150-L287 HydrophobicContact CG2-CD1 4.17Å; T285-L287 PolarHBondContact O-N 2.8Å; T285-L287 VanDerWaalsContact O-N 3.17Å
288	E	94	Very high	94.2	Very high	97 Å²	97	57.6 Å²	57.6	45%	0.453	30%	0.299	S	S	.	.	H	α-helix	trans	-77.3	-47.5	176.6	-68.5	160.4	143.9	0	0	109.8	E284 T285 M286 I290 K291 D292	E284-E288 HydrophobicContact CB-CB 4.11Å; T285-E288 PolarHBondContact N-OE2 3.09Å; T285-E288 PolarHBondContact O-N 2.93Å; T285-E288 WeakPolarHBondContact OG1-CG 3.36Å; T285-E288 PolarHBondContact OG1-OE2 3.22Å; M286-E288 VanDerWaalsContact C-N 3.28Å; M286-E288 PolarHBondContact O-N 3.07Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 2.92Å; E288-K291 PolarHBondContact O-N 3.15Å; E288-D292 PolarHBondContact O-N 3.2Å
289	Q	94.6	Very high	94.2	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.023	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-15.8	-175.5	-75.2	-72.2	-57	0	0	115.3	F176 E284 T285 M286 D292 P293	F176-Q289 HydrophobicContact CE2-CB 3.77Å; F176-Q289 HydrophobicContact CE2-CG 3.92Å; F176-Q289 HydrophobicContact CZ-CB 4.4Å; F176-Q289 HydrophobicContact CZ-CG 4.47Å; E284-Q289 HydrophobicContact CB-CG 3.79Å; E284-Q289 PolarHBondContact OE2-NE2 3.48Å; T285-Q289 PolarHBondContact O-N 2.98Å; M286-Q289 PolarHBondContact O-N 3.19Å; Q289-D292 PolarHBondContact NE2-O 2.82Å; Q289-D292 VanDerWaalsContact NE2-O 3.1Å; Q289-P293 VanDerWaalsContact O-CA 3.32Å; Q289-P293 WeakPolarHBondContact O-CA 3.48Å; Q289-P293 WeakPolarHBondContact O-CB 3.46Å
290	I	91.2	Very high	94.3	Very high	28 Å²	28	57.4 Å²	57.4	14%	0.144	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.7	168.7	-75.9	161.3	0	0	0	111.5	L146 M286 E288 H310 L314	L146-I290 HydrophobicContact CD1-CD1 3.79Å; L146-I290 HydrophobicContact CD1-CG1 4.21Å; L146-I290 HydrophobicContact CD2-CD1 4.04Å; L146-I290 HydrophobicContact CD2-CG1 4.42Å; L146-I290 HydrophobicContact CG-CD1 3.93Å; M286-I290 HydrophobicContact CG-CD1 3.85Å; M286-I290 HydrophobicContact CG-CG1 4.16Å; M286-I290 WeakPolarHBondContact O-CD1 3.38Å; M286-I290 WeakPolarHBondContact O-CG1 3.31Å; M286-I290 PolarHBondContact O-N 2.84Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 2.92Å; I290-H310 PolarHBondContact O-NE2 3.04Å; I290-L314 HydrophobicContact CG2-CD1 4.36Å; I290-L314 HydrophobicContact CG2-CD2 3.92Å
291	K	85.4	Confident	94	Very high	136 Å²	136	57 Å²	57	59%	0.591	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-40.7	-176.2	-61.6	176	-174.2	169.6	0	112.4	E288	E288-K291 PolarHBondContact O-N 3.15Å
292	D	87.7	Confident	93.7	Very high	115 Å²	115	59.7 Å²	59.7	62%	0.615	30%	0.303	S	S	*	.	S	Bend	trans	-131.9	80.5	-178.8	-168.4	20.9	0	0	0	109.5	E288 Q289	E288-D292 PolarHBondContact O-N 3.2Å; Q289-D292 PolarHBondContact NE2-O 2.82Å; Q289-D292 VanDerWaalsContact NE2-O 3.1Å
293	P	92.8	Very high	93.4	Very high	16 Å²	16	59.4 Å²	59.4	10%	0.104	30%	0.303	C	S	.	.			trans	-75.6	132	-169.1	31.2	-36.8	0	0	0	111.8	Q289 L295	Q289-P293 VanDerWaalsContact O-CA 3.32Å; Q289-P293 WeakPolarHBondContact O-CA 3.48Å; Q289-P293 WeakPolarHBondContact O-CB 3.46Å; P293-L295 HydrophobicContact CB-CD2 3.85Å; P293-L295 HydrophobicContact CB-CG 4.21Å; P293-L295 HydrophobicContact CG-CD2 4.36Å; P293-L295 HydrophobicContact CG-CG 4.4Å; P293-L295 PolarHBondContact O-N 2.81Å
294	K	95.2	Very high	92.9	Very high	109 Å²	109	65.1 Å²	65.1	47%	0.474	33%	0.33	S	S	.	.			trans	-90.8	103.6	169.4	-166.1	175.2	172.5	-171.1	0	110.2	N399 Q400 W401	K294-N399 WeakPolarHBondContact CD-O 3.45Å; K294-N399 WeakPolarHBondContact CD-OD1 3.23Å; K294-N399 VanDerWaalsContact CE-O 3.3Å; K294-N399 WeakPolarHBondContact CE-O 3.44Å; K294-N399 WeakPolarHBondContact CG-O 3.26Å; K294-N399 PolarHBondContact NZ-OD1 3.45Å; K294-Q400 PolarHBondContact O-N 3Å; K294-Q400 VanDerWaalsContact O-N 3.1Å; K294-W401 PolarHBondContact O-N 2.89Å
295	L	94.7	Very high	92.7	Very high	47 Å²	47	62.7 Å²	62.7	25%	0.246	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-99.5	135.1	-170.3	-56.4	177.7	0	0	0	112.7	P293 N307 H310 W401 Y403	P293-L295 HydrophobicContact CB-CD2 3.85Å; P293-L295 HydrophobicContact CB-CG 4.21Å; P293-L295 HydrophobicContact CG-CD2 4.36Å; P293-L295 HydrophobicContact CG-CG 4.4Å; P293-L295 PolarHBondContact O-N 2.81Å; L295-N307 HydrophobicContact CD1-CB 4.36Å; L295-N307 VanDerWaalsContact CD1-N 3.35Å; L295-N307 VanDerWaalsContact CD1-OD1 3.29Å; L295-N307 WeakPolarHBondContact CD1-OD1 3.29Å; L295-H310 HydrophobicContact CD2-CB 4.41Å; L295-W401 HydrophobicContact CD2-CB 3.69Å; L295-W401 HydrophobicContact CD2-CG 4.4Å; L295-Y403 HydrophobicContact CD2-CD2 4Å; L295-Y403 HydrophobicContact CD2-CE2 3.82Å
296	M	95.6	Very high	92.5	Very high	31 Å²	31	62.9 Å²	62.9	15%	0.153	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-78.3	121	165.5	179.2	176.6	161.3	0	0	110	V298 I398 W401 L402 P1237 L1239	M296-V298 HydrophobicContact CE-CG1 4.46Å; M296-I398 HydrophobicContact SD-CD1 4.43Å; M296-I398 HydrophobicContact SD-CG1 4.27Å; M296-W401 PolarHBondContact N-O 2.78Å; M296-L402 HydrophobicContact CB-CD1 4.44Å; M296-L402 HydrophobicContact CE-CD1 4.5Å; M296-L402 HydrophobicContact CG-CD1 4.4Å; M296-L402 HydrophobicContact SD-CD1 4.05Å; M296-P1237 WeakPolarHBondContact CE-O 3.41Å; M296-P1237 HydrophobicContact SD-CB 4.13Å; M296-L1239 HydrophobicContact CE-CB 3.76Å
297	C	95.2	Very high	92.3	Very high	42 Å²	42	64.9 Å²	64.9	28%	0.284	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-79.9	124	176.4	-174.4	0	0	0	0	110.8	F300	C297-F300 HydrophobicContact CB-CE1 4.33Å
298	V	95.5	Very high	92.3	Very high	21 Å²	21	61.1 Å²	61.1	13%	0.127	31%	0.314	C	S	.	.	S	Bend	trans	-106.7	-17.5	179.4	-61.5	0	0	0	0	114.2	M296 L402 L1239 L1240 F1241	M296-V298 HydrophobicContact CE-CG1 4.46Å; V298-L402 HydrophobicContact CG1-CD1 3.53Å; V298-L1239 VanDerWaalsContact CA-O 3.3Å; V298-L1239 WeakPolarHBondContact CA-O 3.36Å; V298-L1239 HydrophobicContact CG1-CB 4.36Å; V298-L1239 HydrophobicContact CG1-CD2 4.15Å; V298-L1239 HydrophobicContact CG1-CG 4.3Å; V298-L1240 CarbonylContact O-C 3.49Å; V298-L1240 WeakPolarHBondContact O-CA 3.47Å; V298-F1241 HydrophobicContact CB-CD2 4.13Å; V298-F1241 HydrophobicContact CB-CE2 4.03Å; V298-F1241 HydrophobicContact CG2-CD2 4.03Å; V298-F1241 HydrophobicContact CG2-CE2 3.86Å; V298-F1241 PolarHBondContact O-N 2.88Å
299	D	93.9	Very high	92.4	Very high	16 Å²	16	56.8 Å²	56.8	9%	0.086	29%	0.294	C	S	.	.			trans	-136.8	101.6	176.8	-170.8	-19	0	0	0	109.2	S301 K302 R1228 F1241	D299-S301 VanDerWaalsContact CG-OG 3.24Å; D299-S301 PolarHBondContact O-N 3.15Å; D299-S301 VanDerWaalsContact OD1-CB 3.29Å; D299-S301 WeakPolarHBondContact OD1-CB 3.46Å; D299-S301 PolarHBondContact OD1-N 3.01Å; D299-S301 PolarHBondContact OD1-OG 3Å; D299-S301 PolarHBondContact OD2-OG 3.39Å; D299-K302 CarbonylContact O-C 3.51Å; D299-K302 VanDerWaalsContact O-C 3.28Å; D299-K302 PolarHBondContact O-N 3.25Å; D299-R1228 IonicContact OD2-NE 2.94Å; D299-R1228 IonicContact OD2-NH2 2.62Å; D299-F1241 HydrophobicContact CB-CB 4.45Å
300	F	93.4	Very high	92.4	Very high	149 Å²	149	56.7 Å²	56.7	65%	0.654	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.5	-179.9	-75.2	-71.1	0	0	0	113.6	C297 K302 L1240	C297-F300 HydrophobicContact CB-CE1 4.33Å; F300-K302 PolarHBondContact O-N 3.16Å; F300-L1240 HydrophobicContact CD2-CD2 3.77Å; F300-L1240 HydrophobicContact CE2-CD2 3.35Å; F300-L1240 HydrophobicContact CZ-CD2 4.39Å
301	S	90.8	Very high	92.6	Very high	81 Å²	81	55.3 Å²	55.3	57%	0.566	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	169.1	74	0	0	0	0	112.3	D299	D299-S301 VanDerWaalsContact CG-OG 3.24Å; D299-S301 PolarHBondContact O-N 3.15Å; D299-S301 VanDerWaalsContact OD1-CB 3.29Å; D299-S301 WeakPolarHBondContact OD1-CB 3.46Å; D299-S301 PolarHBondContact OD1-N 3.01Å; D299-S301 PolarHBondContact OD1-OG 3Å; D299-S301 PolarHBondContact OD2-OG 3.39Å
302	K	89.5	Confident	93.1	Very high	90 Å²	90	49 Å²	49	39%	0.391	26%	0.259	S	S	.	.			trans	-143.4	61.8	-178.1	-58.1	-178.5	-179.2	179.1	0	112.9	D299 F300 E304 E305	D299-K302 CarbonylContact O-C 3.51Å; D299-K302 VanDerWaalsContact O-C 3.28Å; D299-K302 PolarHBondContact O-N 3.25Å; F300-K302 PolarHBondContact O-N 3.16Å; K302-E304 PolarHBondContact O-N 2.86Å; K302-E304 VanDerWaalsContact O-N 3.11Å; K302-E305 HydrophobicContact CB-CB 4.08Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.37Å; K302-E305 IonicContact NZ-OE1 3.89Å; K302-E305 IonicContact NZ-OE2 3.78Å; K302-E305 PolarHBondContact NZ-OE2 2.64Å; K302-E305 WeakPolarHBondContact O-CB 3.38Å; K302-E305 PolarHBondContact O-N 3.49Å; K302-E305 VanDerWaalsContact O-N 3.11Å
303	P	89.4	Confident	93.5	Very high	79 Å²	79	43.5 Å²	43.5	51%	0.513	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.9	-173.1	25.2	-34.7	0	0	0	114
304	E	88.2	Confident	93.6	Very high	122 Å²	122	43.2 Å²	43.2	57%	0.57	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.8	-178.7	-60.3	-60.5	164.1	0	0	114.2	K302 G306 N307	K302-E304 PolarHBondContact O-N 2.86Å; K302-E304 VanDerWaalsContact O-N 3.11Å; E304-G306 PolarHBondContact O-N 3.23Å; E304-N307 WeakPolarHBondContact O-CB 3.25Å; E304-N307 PolarHBondContact O-N 3.37Å; E304-N307 VanDerWaalsContact O-N 3.1Å; E304-N307 PolarHBondContact OE2-ND2 2.89Å; E304-N307 VanDerWaalsContact OE2-ND2 3.09Å
305	E	92.1	Very high	93.6	Very high	34 Å²	34	38 Å²	38	16%	0.159	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-30.4	-175.3	-164.7	169.7	71.7	0	0	111.4	K302 N307 L308 L309 L360 H405	K302-E305 HydrophobicContact CB-CB 4.08Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.37Å; K302-E305 IonicContact NZ-OE1 3.89Å; K302-E305 IonicContact NZ-OE2 3.78Å; K302-E305 PolarHBondContact NZ-OE2 2.64Å; K302-E305 WeakPolarHBondContact O-CB 3.38Å; K302-E305 PolarHBondContact O-N 3.49Å; K302-E305 VanDerWaalsContact O-N 3.11Å; E305-N307 VanDerWaalsContact C-N 3.33Å; E305-N307 PolarHBondContact O-N 2.97Å; E305-L308 WeakPolarHBondContact O-CB 3.23Å; E305-L308 PolarHBondContact O-N 3.06Å; E305-L309 WeakPolarHBondContact O-CG 3.5Å; E305-L309 PolarHBondContact O-N 3.33Å; E305-L360 HydrophobicContact CG-CD2 3.86Å; E305-H405 IonicContact OE1-CE1 3.53Å; E305-H405 IonicContact OE1-NE2 3.29Å; E305-H405 PolarHBondContact OE1-NE2 3.41Å
306	G	93	Very high	93.7	Very high	18 Å²	18	35.9 Å²	35.9	19%	0.186	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-40.5	175.1	0	0	0	0	0	113.4	E304 L308 L309 H310	E304-G306 PolarHBondContact O-N 3.23Å; G306-L308 VanDerWaalsContact C-N 3.32Å; G306-L308 PolarHBondContact O-N 3.28Å; G306-L309 PolarHBondContact O-N 3.11Å; G306-H310 PolarHBondContact O-N 2.88Å
307	N	92.3	Very high	93.6	Very high	42 Å²	42	34.9 Å²	34.9	23%	0.225	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-41.3	177.8	-75.5	-50.4	0	0	0	110.6	L295 E304 E305 H310 L311 I354	L295-N307 HydrophobicContact CD1-CB 4.36Å; L295-N307 VanDerWaalsContact CD1-N 3.35Å; L295-N307 VanDerWaalsContact CD1-OD1 3.29Å; L295-N307 WeakPolarHBondContact CD1-OD1 3.29Å; E304-N307 WeakPolarHBondContact O-CB 3.25Å; E304-N307 PolarHBondContact O-N 3.37Å; E304-N307 VanDerWaalsContact O-N 3.1Å; E304-N307 PolarHBondContact OE2-ND2 2.89Å; E304-N307 VanDerWaalsContact OE2-ND2 3.09Å; E305-N307 VanDerWaalsContact C-N 3.33Å; E305-N307 PolarHBondContact O-N 2.97Å; N307-H310 PolarHBondContact O-N 2.94Å; N307-L311 WeakPolarHBondContact O-CB 3.37Å; N307-L311 PolarHBondContact O-N 2.78Å; N307-I354 HydrophobicContact CB-CD1 3.57Å; N307-I354 HydrophobicContact CB-CG1 4.06Å; N307-I354 WeakPolarHBondContact O-CD1 3.37Å
308	L	94.2	Very high	93.6	Very high	6 Å²	6	37 Å²	37	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-39.6	176.3	-178.5	60.8	0	0	0	112	E305 G306 L311 T312 I354 I356 N357 L360 V361	E305-L308 WeakPolarHBondContact O-CB 3.23Å; E305-L308 PolarHBondContact O-N 3.06Å; G306-L308 VanDerWaalsContact C-N 3.32Å; G306-L308 PolarHBondContact O-N 3.28Å; L308-L311 PolarHBondContact O-N 3.25Å; L308-T312 WeakPolarHBondContact O-CB 3.35Å; L308-T312 PolarHBondContact O-N 2.67Å; L308-T312 PolarHBondContact O-OG1 3.47Å; L308-I354 HydrophobicContact CB-CG2 4.29Å; L308-I356 HydrophobicContact CD1-CG2 4.35Å; L308-N357 HydrophobicContact CD2-CB 3.99Å; L308-L360 HydrophobicContact CD2-CD2 4.12Å; L308-V361 HydrophobicContact CD1-CG2 3.79Å; L308-V361 HydrophobicContact CD2-CG2 4.19Å; L308-V361 HydrophobicContact CG-CG2 4.09Å
309	L	95.8	Very high	93.6	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-40.3	176	-66.3	174.5	0	0	0	111.8	E305 G306 T312 Y313 L364 Y403 H405	E305-L309 WeakPolarHBondContact O-CG 3.5Å; E305-L309 PolarHBondContact O-N 3.33Å; G306-L309 PolarHBondContact O-N 3.11Å; L309-T312 PolarHBondContact O-N 3.29Å; L309-Y313 WeakPolarHBondContact O-CB 3.28Å; L309-Y313 PolarHBondContact O-N 3.3Å; L309-L364 HydrophobicContact CD2-CD1 3.48Å; L309-L364 VanDerWaalsContact CD2-CD1 3.48Å; L309-Y403 HydrophobicContact CB-CD1 3.99Å; L309-Y403 HydrophobicContact CB-CG 3.95Å; L309-H405 HydrophobicContact CD2-CB 4.49Å
310	H	94.9	Very high	93.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-48.9	174.1	-173.6	79.7	0	0	0	111.6	I290 L295 G306 N307 T312 Y313 L314 Y403	I290-H310 PolarHBondContact O-NE2 3.04Å; L295-H310 HydrophobicContact CD2-CB 4.41Å; G306-H310 PolarHBondContact O-N 2.88Å; N307-H310 PolarHBondContact O-N 2.94Å; H310-T312 VanDerWaalsContact C-N 3.32Å; H310-T312 PolarHBondContact O-N 3.44Å; H310-Y313 WeakPolarHBondContact O-CB 3.5Å; H310-Y313 PolarHBondContact O-N 2.82Å; H310-Y313 VanDerWaalsContact O-N 3.17Å; H310-L314 WeakPolarHBondContact O-CG 3.32Å; H310-L314 PolarHBondContact O-N 3.35Å; H310-Y403 HydrophobicContact CB-CE2 3.83Å; H310-Y403 AromaticContact ND1-CE2 3.74Å; H310-Y403 AromaticContact ND1-CZ 3.65Å; H310-Y403 PolarHBondContact ND1-OH 3.3Å
311	L	94.6	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-42.2	175.6	175.8	60.8	0	0	0	112.3	N307 L308 Y313 L314 T315 L342 I345 Q346 M350 I354	N307-L311 WeakPolarHBondContact O-CB 3.37Å; N307-L311 PolarHBondContact O-N 2.78Å; L308-L311 PolarHBondContact O-N 3.25Å; L311-Y313 VanDerWaalsContact C-N 3.33Å; L311-Y313 PolarHBondContact O-N 2.87Å; L311-L314 PolarHBondContact O-N 3.34Å; L311-T315 WeakPolarHBondContact O-CB 3.23Å; L311-T315 PolarHBondContact O-N 2.93Å; L311-T315 PolarHBondContact O-OG1 3.46Å; L311-L342 HydrophobicContact CD1-CD1 4.48Å; L311-L342 HydrophobicContact CD2-CD1 4.01Å; L311-L342 HydrophobicContact CD2-CG 4.36Å; L311-L342 HydrophobicContact CG-CD1 3.73Å; L311-I345 HydrophobicContact CD1-CB 4.01Å; L311-I345 HydrophobicContact CD1-CG2 3.49Å; L311-I345 VanDerWaalsContact CD1-CG2 3.49Å; L311-Q346 HydrophobicContact CD1-CB 4.34Å; L311-Q346 HydrophobicContact CD2-CB 3.88Å; L311-Q346 HydrophobicContact CD2-CG 4.28Å; L311-M350 HydrophobicContact CB-SD 3.81Å; L311-M350 HydrophobicContact CD1-CG 4.35Å; L311-M350 HydrophobicContact CD1-SD 3.85Å; L311-M350 HydrophobicContact CD2-SD 3.96Å; L311-M350 HydrophobicContact CG-SD 4.05Å; L311-I354 HydrophobicContact CB-CD1 4.33Å; L311-I354 HydrophobicContact CD2-CD1 4.24Å
312	T	96.1	Very high	93.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176.2	-59.7	0	0	0	0	110.8	F172 L308 L309 H310 T315 L316 F338 V361 L364	F172-T312 HydrophobicContact CZ-CG2 4.5Å; L308-T312 WeakPolarHBondContact O-CB 3.35Å; L308-T312 PolarHBondContact O-N 2.67Å; L308-T312 PolarHBondContact O-OG1 3.47Å; L309-T312 PolarHBondContact O-N 3.29Å; H310-T312 VanDerWaalsContact C-N 3.32Å; H310-T312 PolarHBondContact O-N 3.44Å; T312-T315 PolarHBondContact O-N 2.97Å; T312-L316 WeakPolarHBondContact O-CB 3.26Å; T312-L316 PolarHBondContact O-N 3.37Å; T312-F338 HydrophobicContact CG2-CE1 4.4Å; T312-F338 HydrophobicContact CG2-CZ 4.02Å; T312-V361 HydrophobicContact CG2-CG1 4.06Å; T312-L364 HydrophobicContact CG2-CB 4.26Å; T312-L364 HydrophobicContact CG2-CD1 4.08Å
313	Y	96	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-48.4	175.8	169	-109.9	0	0	0	112.4	L146 Y165 Y169 N174 L309 H310 L311 T315 L316 M317 W401 Y403	L146-Y313 HydrophobicContact CD1-CE1 4.19Å; Y165-Y313 VanDerWaalsContact CE1-OH 3.25Å; Y165-Y313 WeakPolarHBondContact CE1-OH 3.37Å; Y165-Y313 PolarHBondContact OH-OH 3.41Å; Y169-Y313 HydrophobicContact CD2-CD2 4.28Å; Y169-Y313 HydrophobicContact CD2-CE2 4.45Å; Y169-Y313 AromaticContact CE2-CD2 3.82Å; Y169-Y313 HydrophobicContact CE2-CD2 3.82Å; Y169-Y313 AromaticContact CE2-CE2 3.56Å; Y169-Y313 HydrophobicContact CE2-CE2 3.56Å; Y169-Y313 AromaticContact CZ-CE2 3.88Å; N174-Y313 VanDerWaalsContact ND2-CD2 3.34Å; N174-Y313 WeakPolarHBondContact ND2-CD2 3.33Å; N174-Y313 WeakPolarHBondContact ND2-CE2 3.35Å; L309-Y313 WeakPolarHBondContact O-CB 3.28Å; L309-Y313 PolarHBondContact O-N 3.3Å; H310-Y313 WeakPolarHBondContact O-CB 3.5Å; H310-Y313 PolarHBondContact O-N 2.82Å; H310-Y313 VanDerWaalsContact O-N 3.17Å; L311-Y313 VanDerWaalsContact C-N 3.33Å; L311-Y313 PolarHBondContact O-N 2.87Å; Y313-T315 VanDerWaalsContact C-N 3.25Å; Y313-T315 PolarHBondContact O-N 2.91Å; Y313-L316 WeakPolarHBondContact O-CB 3.15Å; Y313-L316 PolarHBondContact O-N 2.78Å; Y313-L316 VanDerWaalsContact O-N 3.12Å; Y313-M317 HydrophobicContact CD2-CE 4.05Å; Y313-M317 HydrophobicContact CD2-CG 4.12Å; Y313-M317 HydrophobicContact CE1-CG 4.15Å; Y313-M317 HydrophobicContact CE2-CE 3.6Å; Y313-M317 HydrophobicContact CE2-CG 3.55Å; Y313-M317 HydrophobicContact CE2-SD 3.67Å; Y313-M317 WeakPolarHBondContact O-CG 3.4Å; Y313-M317 PolarHBondContact O-N 3.09Å; Y313-W401 HydrophobicContact CE1-CH2 4.19Å; Y313-W401 HydrophobicContact CE1-CZ3 4.37Å; Y313-Y403 WeakPolarHBondContact CD1-OH 3.44Å; Y313-Y403 HydrophobicContact CG-CE1 4.34Å
314	L	94.7	Very high	94.3	Very high	11 Å²	11	33.1 Å²	33.1	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-39.8	176.8	-65.8	-177.1	0	0	0	111.7	L146 I290 H310 L311 M317 R318	L146-L314 HydrophobicContact CD2-CD2 3.85Å; I290-L314 HydrophobicContact CG2-CD1 4.36Å; I290-L314 HydrophobicContact CG2-CD2 3.92Å; H310-L314 WeakPolarHBondContact O-CG 3.32Å; H310-L314 PolarHBondContact O-N 3.35Å; L311-L314 PolarHBondContact O-N 3.34Å; L314-M317 PolarHBondContact O-N 3.46Å; L314-R318 WeakPolarHBondContact O-CB 3.28Å; L314-R318 PolarHBondContact O-N 3.14Å
315	T	96.1	Very high	94.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-41.8	175.9	-53.7	0	0	0	0	111.6	L311 T312 Y313 M317 R318 F319 F338 Q341 L342 I345	L311-T315 WeakPolarHBondContact O-CB 3.23Å; L311-T315 PolarHBondContact O-N 2.93Å; L311-T315 PolarHBondContact O-OG1 3.46Å; T312-T315 PolarHBondContact O-N 2.97Å; Y313-T315 VanDerWaalsContact C-N 3.25Å; Y313-T315 PolarHBondContact O-N 2.91Å; T315-M317 PolarHBondContact O-N 3.24Å; T315-R318 PolarHBondContact O-N 2.91Å; T315-F319 WeakPolarHBondContact O-CB 3.44Å; T315-F319 PolarHBondContact O-N 3.34Å; T315-F338 HydrophobicContact CG2-CD1 3.96Å; T315-F338 HydrophobicContact CG2-CD2 3.99Å; T315-F338 HydrophobicContact CG2-CE1 3.69Å; T315-F338 HydrophobicContact CG2-CE2 3.76Å; T315-F338 HydrophobicContact CG2-CG 4.09Å; T315-F338 HydrophobicContact CG2-CZ 3.6Å; T315-Q341 HydrophobicContact CG2-CB 3.91Å; T315-L342 HydrophobicContact CG2-CB 4.08Å; T315-L342 HydrophobicContact CG2-CD1 4.38Å; T315-L342 WeakPolarHBondContact OG1-CD1 3.46Å; T315-I345 VanDerWaalsContact CA-CD1 3.45Å; T315-I345 HydrophobicContact CG2-CD1 4.09Å; T315-I345 WeakPolarHBondContact OG1-CD1 3.3Å
316	L	96.1	Very high	94.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-42.5	175.1	-173.1	66.3	0	0	0	112.4	Y169 F172 T312 Y313 F319 N320 Y326 P327 F338	Y169-L316 HydrophobicContact CD1-CD2 3.7Å; Y169-L316 HydrophobicContact CD2-CD2 4.3Å; Y169-L316 HydrophobicContact CE1-CD2 4.47Å; Y169-L316 HydrophobicContact CG-CD2 3.6Å; F172-L316 HydrophobicContact CE1-CD2 4.24Å; F172-L316 HydrophobicContact CZ-CD2 3.93Å; T312-L316 WeakPolarHBondContact O-CB 3.26Å; T312-L316 PolarHBondContact O-N 3.37Å; Y313-L316 WeakPolarHBondContact O-CB 3.15Å; Y313-L316 PolarHBondContact O-N 2.78Å; Y313-L316 VanDerWaalsContact O-N 3.12Å; L316-F319 PolarHBondContact O-N 2.91Å; L316-N320 PolarHBondContact O-N 3.3Å; L316-Y326 HydrophobicContact CD1-CD1 3.58Å; L316-Y326 HydrophobicContact CD1-CE1 4.33Å; L316-Y326 HydrophobicContact CD1-CG 4.35Å; L316-Y326 HydrophobicContact CD2-CD1 4.22Å; L316-Y326 HydrophobicContact CD2-CE1 4.32Å; L316-Y326 HydrophobicContact CG-CD1 3.64Å; L316-Y326 HydrophobicContact CG-CE1 3.88Å; L316-P327 VanDerWaalsContact CD1-CD 3.43Å; L316-P327 HydrophobicContact CD1-CG 4.04Å; L316-F338 HydrophobicContact CB-CE2 4.04Å; L316-F338 HydrophobicContact CB-CZ 4.49Å; L316-F338 HydrophobicContact CD1-CE2 4.08Å
317	M	94.7	Very high	94.9	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-43.6	176.3	-65.8	-56.6	100.7	0	0	111.2	L146 Y169 Y313 L314 T315 N320 V321 Y326	L146-M317 HydrophobicContact CB-CB 4.37Å; L146-M317 HydrophobicContact CB-CG 4.11Å; L146-M317 HydrophobicContact CB-SD 4.48Å; L146-M317 HydrophobicContact CD2-CB 4.27Å; L146-M317 HydrophobicContact CD2-CG 4.25Å; Y169-M317 HydrophobicContact CD1-CE 4.24Å; Y169-M317 HydrophobicContact CE1-CE 3.54Å; Y169-M317 HydrophobicContact CE2-CE 4.22Å; Y313-M317 HydrophobicContact CD2-CE 4.05Å; Y313-M317 HydrophobicContact CD2-CG 4.12Å; Y313-M317 HydrophobicContact CE1-CG 4.15Å; Y313-M317 HydrophobicContact CE2-CE 3.6Å; Y313-M317 HydrophobicContact CE2-CG 3.55Å; Y313-M317 HydrophobicContact CE2-SD 3.67Å; Y313-M317 WeakPolarHBondContact O-CG 3.4Å; Y313-M317 PolarHBondContact O-N 3.09Å; L314-M317 PolarHBondContact O-N 3.46Å; T315-M317 PolarHBondContact O-N 3.24Å; M317-N320 PolarHBondContact O-N 2.82Å; M317-V321 WeakPolarHBondContact O-CG2 3.25Å; M317-V321 PolarHBondContact O-N 3.36Å; M317-Y326 HydrophobicContact CE-CE1 3.62Å
318	R	94.2	Very high	95	Very high	86 Å²	86	34 Å²	34	33%	0.325	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-45.9	175.7	-178.1	176	-177.5	151.1	3.1	112	L314 T315 N320 V321 E322 I345	L314-R318 WeakPolarHBondContact O-CB 3.28Å; L314-R318 PolarHBondContact O-N 3.14Å; T315-R318 PolarHBondContact O-N 2.91Å; R318-N320 VanDerWaalsContact C-N 3.26Å; R318-N320 PolarHBondContact O-N 3.15Å; R318-V321 PolarHBondContact O-N 3.13Å; R318-V321 VanDerWaalsContact O-N 3.16Å; R318-E322 HydrophobicContact CG-CG 4.32Å; R318-E322 IonicContact CZ-OE1 2.79Å; R318-E322 VanDerWaalsContact CZ-OE1 3.27Å; R318-E322 IonicContact NE-OE1 3.29Å; R318-E322 PolarHBondContact NE-OE1 3.26Å; R318-E322 IonicContact NH2-OE1 3.48Å; R318-E322 PolarHBondContact NH2-OE1 3.37Å; R318-E322 PolarHBondContact O-N 3.01Å; R318-I345 HydrophobicContact CB-CD1 4.02Å; R318-I345 HydrophobicContact CG-CD1 4.4Å
319	F	96.6	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-44.6	177.4	-172.6	-76.9	0	0	0	110.7	T315 L316 E322 T323 R325 P327 D334 L337 F338 Q341	T315-F319 WeakPolarHBondContact O-CB 3.44Å; T315-F319 PolarHBondContact O-N 3.34Å; L316-F319 PolarHBondContact O-N 2.91Å; F319-E322 PolarHBondContact O-N 2.82Å; F319-T323 HydrophobicContact CD1-CG2 4.11Å; F319-T323 WeakPolarHBondContact CD1-OG1 3.47Å; F319-T323 HydrophobicContact CE1-CG2 3.85Å; F319-T323 WeakPolarHBondContact CE1-OG1 3.33Å; F319-T323 HydrophobicContact CE2-CG2 4.31Å; F319-T323 HydrophobicContact CG-CG2 4.43Å; F319-T323 HydrophobicContact CZ-CG2 3.96Å; F319-T323 WeakPolarHBondContact O-CB 3.32Å; F319-T323 WeakPolarHBondContact O-CG2 3.26Å; F319-T323 PolarHBondContact O-N 3.49Å; F319-T323 PolarHBondContact O-OG1 3.15Å; F319-R325 VanDerWaalsContact CD1-O 3.23Å; F319-R325 WeakPolarHBondContact CD1-O 3.05Å; F319-R325 WeakPolarHBondContact CE1-O 3.48Å; F319-P327 HydrophobicContact CD1-CG 3.75Å; F319-P327 HydrophobicContact CD2-CG 4.2Å; F319-P327 HydrophobicContact CE1-CB 4.32Å; F319-P327 HydrophobicContact CE1-CG 3.79Å; F319-P327 HydrophobicContact CE2-CG 4.2Å; F319-P327 HydrophobicContact CG-CG 3.99Å; F319-P327 HydrophobicContact CZ-CB 4.36Å; F319-P327 HydrophobicContact CZ-CG 4.02Å; F319-D334 HydrophobicContact CE2-CB 4.44Å; F319-D334 HydrophobicContact CZ-CB 4.02Å; F319-L337 HydrophobicContact CD2-CD2 4.45Å; F319-L337 HydrophobicContact CD2-CG 4.41Å; F319-L337 HydrophobicContact CE2-CB 4.22Å; F319-L337 HydrophobicContact CE2-CD2 3.73Å; F319-L337 HydrophobicContact CE2-CG 3.92Å; F319-L337 HydrophobicContact CZ-CD2 4.28Å; F319-F338 HydrophobicContact CB-CD2 4.32Å; F319-F338 HydrophobicContact CD2-CB 4.2Å; F319-F338 HydrophobicContact CD2-CD2 4.11Å; F319-F338 HydrophobicContact CE2-CB 4.41Å; F319-F338 HydrophobicContact CG-CD2 4.38Å; F319-Q341 VanDerWaalsContact CD2-OE1 3.31Å
320	N	94.7	Very high	94.8	Very high	42 Å²	42	35.6 Å²	35.6	23%	0.225	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-40.3	177.6	-171.4	40.9	0	0	0	112.8	L316 M317 R318 G324 R325 Y326	L316-N320 PolarHBondContact O-N 3.3Å; M317-N320 PolarHBondContact O-N 2.82Å; R318-N320 VanDerWaalsContact C-N 3.26Å; R318-N320 PolarHBondContact O-N 3.15Å; N320-G324 WeakPolarHBondContact O-CA 3.29Å; N320-G324 PolarHBondContact O-N 3.33Å; N320-R325 WeakPolarHBondContact CA-O 3.3Å; N320-R325 WeakPolarHBondContact OD1-CA 3.43Å; N320-R325 PolarHBondContact OD1-N 3.28Å; N320-Y326 HydrophobicContact CB-CD1 3.77Å; N320-Y326 HydrophobicContact CB-CE1 3.52Å
321	V	93.3	Very high	94.7	Very high	88 Å²	88	37.6 Å²	37.6	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-42.8	175.7	170.9	0	0	0	0	111.8	M317 R318	M317-V321 WeakPolarHBondContact O-CG2 3.25Å; M317-V321 PolarHBondContact O-N 3.36Å; R318-V321 PolarHBondContact O-N 3.13Å; R318-V321 VanDerWaalsContact O-N 3.16Å
322	E	94.6	Very high	94.7	Very high	107 Å²	107	41.8 Å²	41.8	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-77.1	-33.5	-176.5	-71.1	-174.9	-177.3	0	0	113.1	R318 F319 Q341	R318-E322 HydrophobicContact CG-CG 4.32Å; R318-E322 IonicContact CZ-OE1 2.79Å; R318-E322 VanDerWaalsContact CZ-OE1 3.27Å; R318-E322 IonicContact NE-OE1 3.29Å; R318-E322 PolarHBondContact NE-OE1 3.26Å; R318-E322 IonicContact NH2-OE1 3.48Å; R318-E322 PolarHBondContact NH2-OE1 3.37Å; R318-E322 PolarHBondContact O-N 3.01Å; F319-E322 PolarHBondContact O-N 2.82Å; E322-Q341 PolarHBondContact OE2-NE2 3.36Å
323	T	95.2	Very high	94.7	Very high	52 Å²	52	47.4 Å²	47.4	32%	0.319	25%	0.246	S	C	.	.	H	α-helix	trans	-107.2	-11.6	-174.7	71.1	0	0	0	0	114.2	F319 R325 L337	F319-T323 HydrophobicContact CD1-CG2 4.11Å; F319-T323 WeakPolarHBondContact CD1-OG1 3.47Å; F319-T323 HydrophobicContact CE1-CG2 3.85Å; F319-T323 WeakPolarHBondContact CE1-OG1 3.33Å; F319-T323 HydrophobicContact CE2-CG2 4.31Å; F319-T323 HydrophobicContact CG-CG2 4.43Å; F319-T323 HydrophobicContact CZ-CG2 3.96Å; F319-T323 WeakPolarHBondContact O-CB 3.32Å; F319-T323 WeakPolarHBondContact O-CG2 3.26Å; F319-T323 PolarHBondContact O-N 3.49Å; F319-T323 PolarHBondContact O-OG1 3.15Å; T323-R325 VanDerWaalsContact C-N 3.26Å; T323-R325 PolarHBondContact O-N 3.28Å; T323-R325 PolarHBondContact OG1-N 2.98Å; T323-R325 PolarHBondContact OG1-O 3.16Å; T323-L337 HydrophobicContact CG2-CD2 4.16Å
324	G	93.6	Very high	94.7	Very high	65 Å²	65	48 Å²	48	67%	0.67	25%	0.249	S	C	*	.	S	Bend	trans	74.8	8.9	-175.9	0	0	0	0	0	114.8	N320	N320-G324 WeakPolarHBondContact O-CA 3.29Å; N320-G324 PolarHBondContact O-N 3.33Å
325	R	94.1	Very high	94.8	Very high	76 Å²	76	48 Å²	48	29%	0.287	25%	0.248	S	C	.	.	S	Bend	trans	-155.3	161.3	179.6	58.9	173.7	-176.3	79.9	-2.1	111.3	F319 N320 T323 D334	F319-R325 VanDerWaalsContact CD1-O 3.23Å; F319-R325 WeakPolarHBondContact CD1-O 3.05Å; F319-R325 WeakPolarHBondContact CE1-O 3.48Å; N320-R325 WeakPolarHBondContact CA-O 3.3Å; N320-R325 WeakPolarHBondContact OD1-CA 3.43Å; N320-R325 PolarHBondContact OD1-N 3.28Å; T323-R325 VanDerWaalsContact C-N 3.26Å; T323-R325 PolarHBondContact O-N 3.28Å; T323-R325 PolarHBondContact OG1-N 2.98Å; T323-R325 PolarHBondContact OG1-O 3.16Å; R325-D334 IonicContact CZ-OD1 3.2Å; R325-D334 IonicContact CZ-OD2 2.9Å; R325-D334 VanDerWaalsContact CZ-OD2 3.29Å; R325-D334 IonicContact NH1-OD1 2.99Å; R325-D334 IonicContact NH1-OD2 3.66Å; R325-D334 PolarHBondContact NH1-OD2 2.77Å; R325-D334 VanDerWaalsContact NH2-CG 3.33Å; R325-D334 IonicContact NH2-OD1 3.27Å; R325-D334 PolarHBondContact NH2-OD1 2.92Å; R325-D334 IonicContact NH2-OD2 3.76Å; R325-D334 PolarHBondContact NH2-OD2 2.87Å
326	Y	94.5	Very high	94.8	Very high	56 Å²	56	51.9 Å²	51.9	22%	0.22	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-72.5	159.9	164.8	-62.6	-59.9	0	0	0	111.6	Y169 L316 M317 N320 K328 Q369	Y169-Y326 HydrophobicContact CD1-CE1 4.38Å; Y169-Y326 HydrophobicContact CD1-CE2 4.47Å; Y169-Y326 HydrophobicContact CE1-CE1 4.24Å; Y169-Y326 HydrophobicContact CE1-CE2 4.36Å; Y169-Y326 AromaticContact CE1-CZ 3.78Å; Y169-Y326 WeakPolarHBondContact CE1-OH 3.17Å; L316-Y326 HydrophobicContact CD1-CD1 3.58Å; L316-Y326 HydrophobicContact CD1-CE1 4.33Å; L316-Y326 HydrophobicContact CD1-CG 4.35Å; L316-Y326 HydrophobicContact CD2-CD1 4.22Å; L316-Y326 HydrophobicContact CD2-CE1 4.32Å; L316-Y326 HydrophobicContact CG-CD1 3.64Å; L316-Y326 HydrophobicContact CG-CE1 3.88Å; M317-Y326 HydrophobicContact CE-CE1 3.62Å; N320-Y326 HydrophobicContact CB-CD1 3.77Å; N320-Y326 HydrophobicContact CB-CE1 3.52Å; Y326-K328 PolarHBondContact O-N 3.24Å; Y326-Q369 PolarHBondContact O-NE2 2.88Å
327	P	96.6	Very high	94.8	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-49.7	136.1	173.4	-29.3	37.3	0	0	0	112	L316 F319 D334 F338 T365 Q369	L316-P327 VanDerWaalsContact CD1-CD 3.43Å; L316-P327 HydrophobicContact CD1-CG 4.04Å; F319-P327 HydrophobicContact CD1-CG 3.75Å; F319-P327 HydrophobicContact CD2-CG 4.2Å; F319-P327 HydrophobicContact CE1-CB 4.32Å; F319-P327 HydrophobicContact CE1-CG 3.79Å; F319-P327 HydrophobicContact CE2-CG 4.2Å; F319-P327 HydrophobicContact CG-CG 3.99Å; F319-P327 HydrophobicContact CZ-CB 4.36Å; F319-P327 HydrophobicContact CZ-CG 4.02Å; P327-D334 HydrophobicContact CB-CB 4.13Å; P327-F338 HydrophobicContact CG-CD2 3.83Å; P327-F338 HydrophobicContact CG-CE2 4.4Å; P327-T365 HydrophobicContact CB-CG2 3.68Å; P327-T365 HydrophobicContact CG-CG2 3.8Å; P327-Q369 WeakPolarHBondContact O-CG 3.38Å; P327-Q369 PolarHBondContact O-NE2 3.5Å; P327-Q369 VanDerWaalsContact O-NE2 3.08Å
328	K	94.1	Very high	95	Very high	102 Å²	102	54.9 Å²	54.9	44%	0.443	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-67.7	145.2	178.8	-77.9	166.7	-176	179.1	0	110.1	Y326 W330 D331 D334	Y326-K328 PolarHBondContact O-N 3.24Å; K328-W330 PolarHBondContact O-N 3.07Å; K328-D331 HydrophobicContact CB-CB 3.71Å; K328-D331 PolarHBondContact O-N 2.92Å; K328-D334 WeakPolarHBondContact CB-OD2 3.26Å; K328-D334 PolarHBondContact N-OD2 2.99Å
329	P	92.5	Very high	95.1	Very high	23 Å²	23	54.3 Å²	54.3	15%	0.149	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	123	179.7	-23.6	32.3	0	0	0	112.2	D331 F366 Q369 Q434	P329-D331 PolarHBondContact O-N 3.3Å; P329-F366 WeakPolarHBondContact CA-O 3.38Å; P329-Q369 HydrophobicContact CG-CB 4.32Å; P329-Q434 HydrophobicContact CB-CG 4.49Å; P329-Q434 HydrophobicContact CG-CB 4.22Å; P329-Q434 HydrophobicContact CG-CG 3.88Å
330	W	93.1	Very high	95.1	Very high	23 Å²	23	58.9 Å²	58.9	9%	0.087	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	31.2	-178.8	-58.4	-95.6	0	0	0	115.7	K328 F366 V410 P411 I414 T416 F421 V433 Q434 C435	K328-W330 PolarHBondContact O-N 3.07Å; W330-F366 HydrophobicContact CB-CD2 4.42Å; W330-F366 HydrophobicContact CB-CG 4.47Å; W330-F366 AromaticContact CD1-CD2 3.36Å; W330-F366 AromaticContact CD1-CE2 3.83Å; W330-F366 AromaticContact CD1-CG 3.93Å; W330-F366 HydrophobicContact CG-CB 4.27Å; W330-F366 HydrophobicContact CG-CD2 4.02Å; W330-F366 HydrophobicContact CG-CE2 4.47Å; W330-F366 HydrophobicContact CG-CG 4.2Å; W330-F366 AromaticContact NE1-CD2 3.96Å; W330-V410 HydrophobicContact CZ2-CG1 4.3Å; W330-P411 HydrophobicContact CZ2-CG 4.45Å; W330-P411 PolarHBondContact NE1-O 2.88Å; W330-I414 HydrophobicContact CB-CG1 4.27Å; W330-I414 HydrophobicContact CD2-CD1 3.33Å; W330-I414 HydrophobicContact CD2-CG1 3.57Å; W330-I414 HydrophobicContact CE3-CD1 3.28Å; W330-I414 HydrophobicContact CE3-CG1 4.01Å; W330-I414 HydrophobicContact CG-CD1 3.99Å; W330-I414 HydrophobicContact CG-CG1 3.67Å; W330-I414 HydrophobicContact CH2-CD1 3.59Å; W330-I414 HydrophobicContact CZ2-CD1 3.68Å; W330-I414 HydrophobicContact CZ2-CG1 4.31Å; W330-I414 HydrophobicContact CZ2-CG2 4.46Å; W330-I414 HydrophobicContact CZ3-CD1 3.39Å; W330-T416 HydrophobicContact CB-CG2 4.05Å; W330-T416 HydrophobicContact CE3-CG2 4.06Å; W330-F421 HydrophobicContact CE3-CZ 4.27Å; W330-F421 HydrophobicContact CH2-CE2 4.5Å; W330-F421 AromaticContact CZ3-CE2 3.87Å; W330-F421 HydrophobicContact CZ3-CE2 3.87Å; W330-F421 AromaticContact CZ3-CZ 3.83Å; W330-F421 HydrophobicContact CZ3-CZ 3.83Å; W330-V433 WeakPolarHBondContact CH2-O 3.28Å; W330-Q434 WeakPolarHBondContact CH2-O 3.42Å; W330-Q434 VanDerWaalsContact CZ3-C 3.48Å; W330-Q434 WeakPolarHBondContact CZ3-O 3.14Å; W330-C435 WeakPolarHBondContact CZ2-O 3.48Å
331	D	94	Very high	95.1	Very high	44 Å²	44	57.4 Å²	57.4	24%	0.235	30%	0.299	C	S	.	.			trans	-88.4	118.4	174.7	-172.2	98.8	0	0	0	111.6	K328 P329 N333 D334 W335	K328-D331 HydrophobicContact CB-CB 3.71Å; K328-D331 PolarHBondContact O-N 2.92Å; P329-D331 PolarHBondContact O-N 3.3Å; D331-N333 VanDerWaalsContact C-N 3.35Å; D331-N333 PolarHBondContact O-N 3.45Å; D331-N333 WeakPolarHBondContact OD2-CA 3.28Å; D331-N333 VanDerWaalsContact OD2-CB 3.3Å; D331-N333 WeakPolarHBondContact OD2-CB 3.45Å; D331-N333 PolarHBondContact OD2-N 3.04Å; D331-D334 HydrophobicContact CB-CB 4.14Å; D331-D334 PolarHBondContact OD2-N 2.7Å; D331-W335 PolarHBondContact O-N 3.14Å
332	E	93.9	Very high	95.2	Very high	87 Å²	87	53.2 Å²	53.2	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-69.3	-28.6	-178.9	-72.6	-66.4	161.4	0	0	113.2	W335 N336 K362	E332-W335 PolarHBondContact O-N 3.47Å; E332-N336 VanDerWaalsContact O-CG 3.29Å; E332-N336 PolarHBondContact O-N 3.14Å; E332-N336 PolarHBondContact O-ND2 3.15Å; E332-K362 VanDerWaalsContact CD-NZ 3.27Å; E332-K362 WeakPolarHBondContact OE1-CE 3.35Å; E332-K362 IonicContact OE1-NZ 2.54Å; E332-K362 PolarHBondContact OE1-NZ 2.98Å; E332-K362 IonicContact OE2-NZ 2.77Å; E332-K362 PolarHBondContact OE2-NZ 2.75Å
333	N	95.8	Very high	95.1	Very high	120 Å²	120	51.8 Å²	51.8	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-71.9	-43.6	178.1	-58	-59.5	0	0	0	110.5	D331 W335 N336 L337	D331-N333 VanDerWaalsContact C-N 3.35Å; D331-N333 PolarHBondContact O-N 3.45Å; D331-N333 WeakPolarHBondContact OD2-CA 3.28Å; D331-N333 VanDerWaalsContact OD2-CB 3.3Å; D331-N333 WeakPolarHBondContact OD2-CB 3.45Å; D331-N333 PolarHBondContact OD2-N 3.04Å; N333-W335 VanDerWaalsContact C-N 3.3Å; N333-W335 PolarHBondContact O-N 2.81Å; N333-N336 PolarHBondContact O-N 2.96Å; N333-L337 PolarHBondContact O-N 2.87Å
334	D	96.7	Very high	95	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-37	174.4	-73.6	-13.4	0	0	0	111.3	F319 R325 P327 K328 D331 L337 F338	F319-D334 HydrophobicContact CE2-CB 4.44Å; F319-D334 HydrophobicContact CZ-CB 4.02Å; R325-D334 IonicContact CZ-OD1 3.2Å; R325-D334 IonicContact CZ-OD2 2.9Å; R325-D334 VanDerWaalsContact CZ-OD2 3.29Å; R325-D334 IonicContact NH1-OD1 2.99Å; R325-D334 IonicContact NH1-OD2 3.66Å; R325-D334 PolarHBondContact NH1-OD2 2.77Å; R325-D334 VanDerWaalsContact NH2-CG 3.33Å; R325-D334 IonicContact NH2-OD1 3.27Å; R325-D334 PolarHBondContact NH2-OD1 2.92Å; R325-D334 IonicContact NH2-OD2 3.76Å; R325-D334 PolarHBondContact NH2-OD2 2.87Å; P327-D334 HydrophobicContact CB-CB 4.13Å; K328-D334 WeakPolarHBondContact CB-OD2 3.26Å; K328-D334 PolarHBondContact N-OD2 2.99Å; D331-D334 HydrophobicContact CB-CB 4.14Å; D331-D334 PolarHBondContact OD2-N 2.7Å; D334-L337 PolarHBondContact O-N 2.93Å; D334-F338 WeakPolarHBondContact O-CB 3.36Å; D334-F338 PolarHBondContact O-N 2.78Å
335	W	96	Very high	94.9	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.045	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-49	172	165.5	-115.1	0	0	0	112.2	D331 E332 N333 L337 F338 R339 E358 V361 K362 T365 F366	D331-W335 PolarHBondContact O-N 3.14Å; E332-W335 PolarHBondContact O-N 3.47Å; N333-W335 VanDerWaalsContact C-N 3.3Å; N333-W335 PolarHBondContact O-N 2.81Å; W335-L337 VanDerWaalsContact C-N 3.33Å; W335-L337 PolarHBondContact O-N 2.88Å; W335-F338 HydrophobicContact CZ3-CD1 4.32Å; W335-F338 PolarHBondContact O-N 2.76Å; W335-R339 HydrophobicContact CH2-CB 4.39Å; W335-R339 HydrophobicContact CZ2-CB 4.24Å; W335-R339 HydrophobicContact CZ2-CG 4.24Å; W335-R339 VanDerWaalsContact O-CB 3.27Å; W335-R339 WeakPolarHBondContact O-CB 3.31Å; W335-R339 PolarHBondContact O-N 3.4Å; W335-E358 HydrophobicContact CH2-CB 4.46Å; W335-E358 HydrophobicContact CZ2-CB 4.32Å; W335-V361 HydrophobicContact CH2-CB 4.31Å; W335-V361 HydrophobicContact CH2-CG1 4.35Å; W335-V361 HydrophobicContact CZ3-CB 4.35Å; W335-V361 HydrophobicContact CZ3-CG1 4.01Å; W335-K362 HydrophobicContact CD2-CB 4.11Å; W335-K362 HydrophobicContact CD2-CD 3.99Å; W335-K362 HydrophobicContact CD2-CG 3.74Å; W335-K362 HydrophobicContact CE3-CB 3.95Å; W335-K362 HydrophobicContact CE3-CG 3.95Å; W335-K362 HydrophobicContact CG-CD 4.19Å; W335-K362 HydrophobicContact CG-CG 4.2Å; W335-K362 HydrophobicContact CH2-CB 3.7Å; W335-K362 HydrophobicContact CH2-CG 4.4Å; W335-K362 HydrophobicContact CZ2-CB 3.86Å; W335-K362 HydrophobicContact CZ2-CD 4.17Å; W335-K362 HydrophobicContact CZ2-CG 4.22Å; W335-K362 VanDerWaalsContact CZ3-CA 3.41Å; W335-K362 HydrophobicContact CZ3-CB 3.75Å; W335-K362 HydrophobicContact CZ3-CG 4.28Å; W335-T365 HydrophobicContact CE3-CG2 4.21Å; W335-F366 HydrophobicContact CB-CE1 3.9Å; W335-F366 HydrophobicContact CG-CE1 4.5Å
336	N	96.9	Very high	94.7	Very high	81 Å²	81	46.9 Å²	46.9	43%	0.433	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-43.9	179	-71.1	-43.9	0	0	0	111.6	E332 N333 R339 D340	E332-N336 VanDerWaalsContact O-CG 3.29Å; E332-N336 PolarHBondContact O-N 3.14Å; E332-N336 PolarHBondContact O-ND2 3.15Å; N333-N336 PolarHBondContact O-N 2.96Å; N336-R339 PolarHBondContact O-N 3.39Å; N336-D340 PolarHBondContact O-N 3.13Å
337	L	96.8	Very high	94.4	Very high	74 Å²	74	53 Å²	53	39%	0.387	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-45	175.9	177.9	59.9	0	0	0	112.1	F319 T323 N333 D334 W335 R339 D340 Q341	F319-L337 HydrophobicContact CD2-CD2 4.45Å; F319-L337 HydrophobicContact CD2-CG 4.41Å; F319-L337 HydrophobicContact CE2-CB 4.22Å; F319-L337 HydrophobicContact CE2-CD2 3.73Å; F319-L337 HydrophobicContact CE2-CG 3.92Å; F319-L337 HydrophobicContact CZ-CD2 4.28Å; T323-L337 HydrophobicContact CG2-CD2 4.16Å; N333-L337 PolarHBondContact O-N 2.87Å; D334-L337 PolarHBondContact O-N 2.93Å; W335-L337 VanDerWaalsContact C-N 3.33Å; W335-L337 PolarHBondContact O-N 2.88Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 2.66Å; L337-D340 PolarHBondContact O-N 2.9Å; L337-Q341 WeakPolarHBondContact O-CG 3.34Å; L337-Q341 PolarHBondContact O-N 3.33Å
338	F	97.7	Very high	93.8	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-43.4	177.2	-173.9	-79.4	0	0	0	111.3	T312 T315 L316 F319 P327 D334 W335 D340 Q341 L342 V361 T365	T312-F338 HydrophobicContact CG2-CE1 4.4Å; T312-F338 HydrophobicContact CG2-CZ 4.02Å; T315-F338 HydrophobicContact CG2-CD1 3.96Å; T315-F338 HydrophobicContact CG2-CD2 3.99Å; T315-F338 HydrophobicContact CG2-CE1 3.69Å; T315-F338 HydrophobicContact CG2-CE2 3.76Å; T315-F338 HydrophobicContact CG2-CG 4.09Å; T315-F338 HydrophobicContact CG2-CZ 3.6Å; L316-F338 HydrophobicContact CB-CE2 4.04Å; L316-F338 HydrophobicContact CB-CZ 4.49Å; L316-F338 HydrophobicContact CD1-CE2 4.08Å; F319-F338 HydrophobicContact CB-CD2 4.32Å; F319-F338 HydrophobicContact CD2-CB 4.2Å; F319-F338 HydrophobicContact CD2-CD2 4.11Å; F319-F338 HydrophobicContact CE2-CB 4.41Å; F319-F338 HydrophobicContact CG-CD2 4.38Å; P327-F338 HydrophobicContact CG-CD2 3.83Å; P327-F338 HydrophobicContact CG-CE2 4.4Å; D334-F338 WeakPolarHBondContact O-CB 3.36Å; D334-F338 PolarHBondContact O-N 2.78Å; W335-F338 HydrophobicContact CZ3-CD1 4.32Å; W335-F338 PolarHBondContact O-N 2.76Å; F338-D340 PolarHBondContact O-N 2.73Å; F338-Q341 PolarHBondContact O-N 3Å; F338-L342 HydrophobicContact CE1-CD1 4.31Å; F338-L342 WeakPolarHBondContact O-CB 3.45Å; F338-L342 PolarHBondContact O-N 3Å; F338-V361 HydrophobicContact CD1-CG1 4.33Å; F338-V361 HydrophobicContact CE1-CG1 3.66Å; F338-T365 HydrophobicContact CB-CG2 4.07Å; F338-T365 HydrophobicContact CD1-CG2 4.23Å; F338-T365 WeakPolarHBondContact CD1-OG1 3.27Å; F338-T365 HydrophobicContact CD2-CG2 3.98Å; F338-T365 WeakPolarHBondContact CE1-OG1 3.11Å; F338-T365 HydrophobicContact CE2-CG2 4.47Å; F338-T365 HydrophobicContact CG-CG2 3.84Å
339	R	96.7	Very high	92.9	Very high	75 Å²	75	58 Å²	58	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-46.3	177.5	-175.9	-178.2	-179.6	-79	-4	111.1	W335 N336 L337 Q341 L342 F343 E358	W335-R339 HydrophobicContact CH2-CB 4.39Å; W335-R339 HydrophobicContact CZ2-CB 4.24Å; W335-R339 HydrophobicContact CZ2-CG 4.24Å; W335-R339 VanDerWaalsContact O-CB 3.27Å; W335-R339 WeakPolarHBondContact O-CB 3.31Å; W335-R339 PolarHBondContact O-N 3.4Å; N336-R339 PolarHBondContact O-N 3.39Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 2.66Å; R339-Q341 VanDerWaalsContact C-N 3.34Å; R339-Q341 PolarHBondContact O-N 3.33Å; R339-L342 WeakPolarHBondContact O-CB 3.23Å; R339-L342 PolarHBondContact O-N 2.91Å; R339-F343 HydrophobicContact CG-CD2 4.06Å; R339-F343 HydrophobicContact CG-CE2 3.79Å; R339-F343 VanDerWaalsContact O-CD2 3.23Å; R339-F343 WeakPolarHBondContact O-CD2 3.36Å; R339-F343 PolarHBondContact O-N 3.1Å; R339-F343 VanDerWaalsContact O-N 3.14Å; R339-E358 IonicContact CZ-OE1 3.34Å; R339-E358 IonicContact CZ-OE2 2.69Å; R339-E358 IonicContact NE-OE1 2.94Å; R339-E358 PolarHBondContact NE-OE1 2.7Å; R339-E358 IonicContact NE-OE2 3.05Å; R339-E358 PolarHBondContact NE-OE2 3.1Å; R339-E358 IonicContact NH2-OE1 2.68Å; R339-E358 PolarHBondContact NH2-OE1 2.96Å; R339-E358 IonicContact NH2-OE2 2.67Å
340	D	95.7	Very high	91.9	Very high	95 Å²	95	58.4 Å²	58.4	51%	0.508	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-39.9	177.4	-71.7	-14.1	0	0	0	112.1	N336 L337 F338 T344	N336-D340 PolarHBondContact O-N 3.13Å; L337-D340 PolarHBondContact O-N 2.9Å; F338-D340 PolarHBondContact O-N 2.73Å; D340-T344 WeakPolarHBondContact O-CB 3.45Å; D340-T344 PolarHBondContact O-N 3.28Å; D340-T344 VanDerWaalsContact O-N 3.1Å; D340-T344 PolarHBondContact O-OG1 3.28Å
341	Q	95.5	Very high	90.8	Very high	11 Å²	11	63.2 Å²	63.2	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-40.1	173.9	-73.4	175.4	-15.6	0	0	112.3	T315 F319 E322 L337 F338 R339 T344 I345	T315-Q341 HydrophobicContact CG2-CB 3.91Å; F319-Q341 VanDerWaalsContact CD2-OE1 3.31Å; E322-Q341 PolarHBondContact OE2-NE2 3.36Å; L337-Q341 WeakPolarHBondContact O-CG 3.34Å; L337-Q341 PolarHBondContact O-N 3.33Å; F338-Q341 PolarHBondContact O-N 3Å; R339-Q341 VanDerWaalsContact C-N 3.34Å; R339-Q341 PolarHBondContact O-N 3.33Å; Q341-T344 WeakPolarHBondContact O-CB 3.38Å; Q341-T344 PolarHBondContact O-N 3.13Å; Q341-I345 WeakPolarHBondContact O-CG1 3.36Å; Q341-I345 PolarHBondContact O-N 3.27Å
342	L	95.2	Very high	89.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.5	-52.4	177.8	-175.8	79.8	0	0	0	111	L311 T315 F338 R339 T344 I345 Q346 I356 V361	L311-L342 HydrophobicContact CD1-CD1 4.48Å; L311-L342 HydrophobicContact CD2-CD1 4.01Å; L311-L342 HydrophobicContact CD2-CG 4.36Å; L311-L342 HydrophobicContact CG-CD1 3.73Å; T315-L342 HydrophobicContact CG2-CB 4.08Å; T315-L342 HydrophobicContact CG2-CD1 4.38Å; T315-L342 WeakPolarHBondContact OG1-CD1 3.46Å; F338-L342 HydrophobicContact CE1-CD1 4.31Å; F338-L342 WeakPolarHBondContact O-CB 3.45Å; F338-L342 PolarHBondContact O-N 3Å; R339-L342 WeakPolarHBondContact O-CB 3.23Å; R339-L342 PolarHBondContact O-N 2.91Å; L342-T344 VanDerWaalsContact C-N 3.27Å; L342-T344 PolarHBondContact O-N 2.97Å; L342-I345 PolarHBondContact O-N 3.04Å; L342-Q346 WeakPolarHBondContact O-CB 3.46Å; L342-Q346 PolarHBondContact O-N 3.17Å; L342-I356 HydrophobicContact CD2-CD1 3.91Å; L342-I356 HydrophobicContact CD2-CG2 3.75Å; L342-I356 HydrophobicContact CG-CD1 4.28Å; L342-V361 HydrophobicContact CD1-CG1 4.45Å; L342-V361 HydrophobicContact CD2-CG1 4.03Å; L342-V361 HydrophobicContact CD2-CG2 4.39Å
343	F	93.7	Very high	88.9	Confident	77 Å²	77	68.1 Å²	68.1	34%	0.338	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-35.1	176.7	-78.3	-75.1	0	0	0	112.2	R339 K347 I356	R339-F343 HydrophobicContact CG-CD2 4.06Å; R339-F343 HydrophobicContact CG-CE2 3.79Å; R339-F343 VanDerWaalsContact O-CD2 3.23Å; R339-F343 WeakPolarHBondContact O-CD2 3.36Å; R339-F343 PolarHBondContact O-N 3.1Å; R339-F343 VanDerWaalsContact O-N 3.14Å; F343-K347 WeakPolarHBondContact O-CB 3.36Å; F343-K347 PolarHBondContact O-N 2.76Å; F343-I356 HydrophobicContact CD1-CD1 3.81Å; F343-I356 HydrophobicContact CE1-CD1 3.53Å; F343-I356 HydrophobicContact CE2-CD1 4.43Å; F343-I356 HydrophobicContact CG-CD1 4.4Å; F343-I356 HydrophobicContact CZ-CD1 3.86Å
344	T	92.5	Very high	88.3	Confident	62 Å²	62	63.5 Å²	63.5	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-46.7	176.3	-60.6	0	0	0	0	111.6	D340 Q341 L342 K347 L348	D340-T344 WeakPolarHBondContact O-CB 3.45Å; D340-T344 PolarHBondContact O-N 3.28Å; D340-T344 VanDerWaalsContact O-N 3.1Å; D340-T344 PolarHBondContact O-OG1 3.28Å; Q341-T344 WeakPolarHBondContact O-CB 3.38Å; Q341-T344 PolarHBondContact O-N 3.13Å; L342-T344 VanDerWaalsContact C-N 3.27Å; L342-T344 PolarHBondContact O-N 2.97Å; T344-K347 PolarHBondContact O-N 3.12Å; T344-L348 HydrophobicContact CG2-CD1 3.75Å; T344-L348 HydrophobicContact CG2-CG 4.47Å; T344-L348 WeakPolarHBondContact O-CB 3.5Å; T344-L348 VanDerWaalsContact O-CG 3.26Å; T344-L348 WeakPolarHBondContact O-CG 3.43Å; T344-L348 PolarHBondContact O-N 3.04Å; T344-L348 VanDerWaalsContact O-N 3.12Å
345	I	90.8	Very high	87.9	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-44.8	178.9	-70.7	164.4	0	0	0	110.5	L311 T315 R318 Q341 L342 K347 L348 Q349	L311-I345 HydrophobicContact CD1-CB 4.01Å; L311-I345 HydrophobicContact CD1-CG2 3.49Å; L311-I345 VanDerWaalsContact CD1-CG2 3.49Å; T315-I345 VanDerWaalsContact CA-CD1 3.45Å; T315-I345 HydrophobicContact CG2-CD1 4.09Å; T315-I345 WeakPolarHBondContact OG1-CD1 3.3Å; R318-I345 HydrophobicContact CB-CD1 4.02Å; R318-I345 HydrophobicContact CG-CD1 4.4Å; Q341-I345 WeakPolarHBondContact O-CG1 3.36Å; Q341-I345 PolarHBondContact O-N 3.27Å; L342-I345 PolarHBondContact O-N 3.04Å; I345-K347 PolarHBondContact O-N 2.74Å; I345-L348 PolarHBondContact O-N 3.32Å; I345-Q349 HydrophobicContact CG2-CB 4.1Å; I345-Q349 HydrophobicContact CG2-CG 4.19Å; I345-Q349 VanDerWaalsContact CG2-OE1 3.3Å; I345-Q349 WeakPolarHBondContact O-CB 3.39Å; I345-Q349 PolarHBondContact O-N 3.46Å
346	Q	90.2	Very high	87.7	Confident	27 Å²	27	72.2 Å²	72.2	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-52.4	-46.9	176.3	-179.6	166.6	-63.4	0	0	111.1	L311 L342 L348 M350 I354	L311-Q346 HydrophobicContact CD1-CB 4.34Å; L311-Q346 HydrophobicContact CD2-CB 3.88Å; L311-Q346 HydrophobicContact CD2-CG 4.28Å; L342-Q346 WeakPolarHBondContact O-CB 3.46Å; L342-Q346 PolarHBondContact O-N 3.17Å; Q346-L348 VanDerWaalsContact C-N 3.34Å; Q346-L348 PolarHBondContact O-N 2.64Å; Q346-M350 WeakPolarHBondContact O-CB 3.26Å; Q346-M350 PolarHBondContact O-N 3.47Å; Q346-I354 PolarHBondContact NE2-O 3Å; Q346-I354 PolarHBondContact OE1-O 2.94Å
347	K	87.4	Confident	87.5	Confident	184 Å²	184	72.2 Å²	72.2	80%	0.8	37%	0.369	S	S	*	.	H	α-helix	trans	-67	-31.6	180	-173.8	178.1	178.9	-178.6	0	113.7	F343 T344 I345	F343-K347 WeakPolarHBondContact O-CB 3.36Å; F343-K347 PolarHBondContact O-N 2.76Å; T344-K347 PolarHBondContact O-N 3.12Å; I345-K347 PolarHBondContact O-N 2.74Å
348	L	84.7	Confident	87.4	Confident	125 Å²	125	72 Å²	72	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-96.1	-32.5	-171.8	-69.7	177.3	0	0	0	114.2	T344 I345 Q346	T344-L348 HydrophobicContact CG2-CD1 3.75Å; T344-L348 HydrophobicContact CG2-CG 4.47Å; T344-L348 WeakPolarHBondContact O-CB 3.5Å; T344-L348 VanDerWaalsContact O-CG 3.26Å; T344-L348 WeakPolarHBondContact O-CG 3.43Å; T344-L348 PolarHBondContact O-N 3.04Å; T344-L348 VanDerWaalsContact O-N 3.12Å; I345-L348 PolarHBondContact O-N 3.32Å; Q346-L348 VanDerWaalsContact C-N 3.34Å; Q346-L348 PolarHBondContact O-N 2.64Å
349	Q	75.2	Confident	87.2	Confident	85 Å²	85	74.4 Å²	74.4	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-114.3	-23.3	-168.4	-65.8	-172.3	-14.4	0	0	113.3	I345	I345-Q349 HydrophobicContact CG2-CB 4.1Å; I345-Q349 HydrophobicContact CG2-CG 4.19Å; I345-Q349 VanDerWaalsContact CG2-OE1 3.3Å; I345-Q349 WeakPolarHBondContact O-CB 3.39Å; I345-Q349 PolarHBondContact O-N 3.46Å
350	M	71.7	Confident	87.1	Confident	31 Å²	31	71.5 Å²	71.5	15%	0.153	37%	0.373	C	S	.	.			trans	-98	127.5	-176.8	-54.5	-152.2	73.4	0	0	111	L311 Q346 N352 I354	L311-M350 HydrophobicContact CB-SD 3.81Å; L311-M350 HydrophobicContact CD1-CG 4.35Å; L311-M350 HydrophobicContact CD1-SD 3.85Å; L311-M350 HydrophobicContact CD2-SD 3.96Å; L311-M350 HydrophobicContact CG-SD 4.05Å; Q346-M350 WeakPolarHBondContact O-CB 3.26Å; Q346-M350 PolarHBondContact O-N 3.47Å; M350-N352 VanDerWaalsContact C-N 3.29Å; M350-N352 PolarHBondContact O-N 2.97Å; M350-I354 HydrophobicContact CE-CD1 3.4Å; M350-I354 HydrophobicContact CE-CG1 4.19Å; M350-I354 HydrophobicContact SD-CD1 3.24Å; M350-I354 WeakPolarHBondContact SD-CD1 3.3Å; M350-I354 HydrophobicContact SD-CG1 4.11Å
351	V	69.9	Low	87.2	Confident	123 Å²	123	67 Å²	67	75%	0.745	35%	0.349	S	S	*	.	S	Bend	trans	-65.9	-36.3	179.6	-177.9	0	0	0	0	110.9
352	N	72.9	Confident	87.2	Confident	121 Å²	121	68.4 Å²	68.4	65%	0.647	36%	0.355	S	S	*	.	S	Bend	trans	-118.6	132.1	179.1	-62.2	-43.1	0	0	0	110.2	M350	M350-N352 VanDerWaalsContact C-N 3.29Å; M350-N352 PolarHBondContact O-N 2.97Å
353	P	75.4	Confident	87.3	Confident	114 Å²	114	69.3 Å²	69.3	74%	0.74	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-66.6	135	175.8	26.7	-32.4	0	0	0	111
354	I	83.9	Confident	87.5	Confident	22 Å²	22	65.7 Å²	65.7	11%	0.113	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-99.1	145.6	176.5	-52	163	0	0	0	109.2	N307 L308 L311 Q346 M350 I356	N307-I354 HydrophobicContact CB-CD1 3.57Å; N307-I354 HydrophobicContact CB-CG1 4.06Å; N307-I354 WeakPolarHBondContact O-CD1 3.37Å; L308-I354 HydrophobicContact CB-CG2 4.29Å; L311-I354 HydrophobicContact CB-CD1 4.33Å; L311-I354 HydrophobicContact CD2-CD1 4.24Å; Q346-I354 PolarHBondContact NE2-O 3Å; Q346-I354 PolarHBondContact OE1-O 2.94Å; M350-I354 HydrophobicContact CE-CD1 3.4Å; M350-I354 HydrophobicContact CE-CG1 4.19Å; M350-I354 HydrophobicContact SD-CD1 3.24Å; M350-I354 WeakPolarHBondContact SD-CD1 3.3Å; M350-I354 HydrophobicContact SD-CG1 4.11Å; I354-I356 PolarHBondContact O-N 3.31Å
355	E	87.8	Confident	87.7	Confident	178 Å²	178	62.9 Å²	62.9	83%	0.832	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-68.8	119.3	166.7	-172.3	179.1	171.9	0	0	110.7	N357	E355-N357 PolarHBondContact O-N 3.44Å
356	I	91.1	Very high	87.9	Confident	30 Å²	30	62.9 Å²	62.9	15%	0.154	33%	0.325	C	S	.	.			trans	-91	108.8	-176.2	-57.2	-176	0	0	0	110	L308 L342 F343 I354 E358 V361	L308-I356 HydrophobicContact CD1-CG2 4.35Å; L342-I356 HydrophobicContact CD2-CD1 3.91Å; L342-I356 HydrophobicContact CD2-CG2 3.75Å; L342-I356 HydrophobicContact CG-CD1 4.28Å; F343-I356 HydrophobicContact CD1-CD1 3.81Å; F343-I356 HydrophobicContact CE1-CD1 3.53Å; F343-I356 HydrophobicContact CE2-CD1 4.43Å; F343-I356 HydrophobicContact CG-CD1 4.4Å; F343-I356 HydrophobicContact CZ-CD1 3.86Å; I354-I356 PolarHBondContact O-N 3.31Å; I356-E358 HydrophobicContact CG2-CG 3.97Å; I356-E358 PolarHBondContact O-N 2.79Å; I356-E358 VanDerWaalsContact O-N 3.11Å; I356-V361 HydrophobicContact CG2-CG2 4.33Å
357	N	93.3	Very high	88.2	Confident	81 Å²	81	61.6 Å²	61.6	43%	0.433	32%	0.319	S	S	.	.			trans	-77.8	89.5	164.1	-174.9	-29.7	0	0	0	109.9	L308 E355 S359 L360 V361	L308-N357 HydrophobicContact CD2-CB 3.99Å; E355-N357 PolarHBondContact O-N 3.44Å; N357-S359 PolarHBondContact O-N 3.27Å; N357-S359 PolarHBondContact OD1-N 2.76Å; N357-L360 HydrophobicContact CB-CB 4.1Å; N357-L360 PolarHBondContact O-N 3.26Å; N357-L360 PolarHBondContact OD1-N 3.46Å; N357-V361 WeakPolarHBondContact O-CG2 3.42Å; N357-V361 PolarHBondContact O-N 3.48Å; N357-V361 VanDerWaalsContact O-N 3.09Å
358	E	94.6	Very high	88.6	Confident	70 Å²	70	53 Å²	53	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-32.4	-177.6	-68.8	-168	-154.7	0	0	113.4	W335 R339 I356 V361 K362	W335-E358 HydrophobicContact CH2-CB 4.46Å; W335-E358 HydrophobicContact CZ2-CB 4.32Å; R339-E358 IonicContact CZ-OE1 3.34Å; R339-E358 IonicContact CZ-OE2 2.69Å; R339-E358 IonicContact NE-OE1 2.94Å; R339-E358 PolarHBondContact NE-OE1 2.7Å; R339-E358 IonicContact NE-OE2 3.05Å; R339-E358 PolarHBondContact NE-OE2 3.1Å; R339-E358 IonicContact NH2-OE1 2.68Å; R339-E358 PolarHBondContact NH2-OE1 2.96Å; R339-E358 IonicContact NH2-OE2 2.67Å; I356-E358 HydrophobicContact CG2-CG 3.97Å; I356-E358 PolarHBondContact O-N 2.79Å; I356-E358 VanDerWaalsContact O-N 3.11Å; E358-V361 PolarHBondContact O-N 3.23Å; E358-K362 WeakPolarHBondContact O-CB 3.48Å; E358-K362 PolarHBondContact O-N 3.35Å
359	S	93.6	Very high	89	Confident	51 Å²	51	50.1 Å²	50.1	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-42.6	178.4	-168.3	0	0	0	0	111.7	N357 R363	N357-S359 PolarHBondContact O-N 3.27Å; N357-S359 PolarHBondContact OD1-N 2.76Å; S359-R363 WeakPolarHBondContact O-CG 3.31Å; S359-R363 PolarHBondContact O-N 3.16Å
360	L	94.9	Very high	89.9	Confident	14 Å²	14	46.2 Å²	46.2	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-53.6	174.4	172.1	58	0	0	0	110.2	E305 L308 N357 K362 R363 L364 A407	E305-L360 HydrophobicContact CG-CD2 3.86Å; L308-L360 HydrophobicContact CD2-CD2 4.12Å; N357-L360 HydrophobicContact CB-CB 4.1Å; N357-L360 PolarHBondContact O-N 3.26Å; N357-L360 PolarHBondContact OD1-N 3.46Å; L360-K362 VanDerWaalsContact C-N 3.32Å; L360-K362 PolarHBondContact O-N 3.38Å; L360-R363 PolarHBondContact O-N 3.15Å; L360-L364 HydrophobicContact CD1-CD1 4.21Å; L360-L364 HydrophobicContact CD1-CG 4.21Å; L360-L364 HydrophobicContact CG-CD1 4.32Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.74Å; L360-L364 VanDerWaalsContact O-N 3.09Å; L360-A407 HydrophobicContact CD1-CB 3.41Å; L360-A407 VanDerWaalsContact CD1-CB 3.41Å
361	V	96.5	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-44	-178.2	-175.5	0	0	0	0	110.8	L308 T312 W335 F338 L342 I356 N357 E358 R363 L364 T365	L308-V361 HydrophobicContact CD1-CG2 3.79Å; L308-V361 HydrophobicContact CD2-CG2 4.19Å; L308-V361 HydrophobicContact CG-CG2 4.09Å; T312-V361 HydrophobicContact CG2-CG1 4.06Å; W335-V361 HydrophobicContact CH2-CB 4.31Å; W335-V361 HydrophobicContact CH2-CG1 4.35Å; W335-V361 HydrophobicContact CZ3-CB 4.35Å; W335-V361 HydrophobicContact CZ3-CG1 4.01Å; F338-V361 HydrophobicContact CD1-CG1 4.33Å; F338-V361 HydrophobicContact CE1-CG1 3.66Å; L342-V361 HydrophobicContact CD1-CG1 4.45Å; L342-V361 HydrophobicContact CD2-CG1 4.03Å; L342-V361 HydrophobicContact CD2-CG2 4.39Å; I356-V361 HydrophobicContact CG2-CG2 4.33Å; N357-V361 WeakPolarHBondContact O-CG2 3.42Å; N357-V361 PolarHBondContact O-N 3.48Å; N357-V361 VanDerWaalsContact O-N 3.09Å; E358-V361 PolarHBondContact O-N 3.23Å; V361-R363 VanDerWaalsContact C-N 3.33Å; V361-R363 PolarHBondContact O-N 2.87Å; V361-L364 WeakPolarHBondContact O-CB 3.37Å; V361-L364 PolarHBondContact O-N 3.13Å; V361-L364 VanDerWaalsContact O-N 3.09Å; V361-T365 PolarHBondContact O-N 2.71Å; V361-T365 PolarHBondContact O-OG1 3.39Å
362	K	97.1	Very high	92.2	Very high	40 Å²	40	39.5 Å²	39.5	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-42.9	178	-171.6	167.7	-176	170.6	0	112.4	E332 W335 E358 L360 T365 F366	E332-K362 VanDerWaalsContact CD-NZ 3.27Å; E332-K362 WeakPolarHBondContact OE1-CE 3.35Å; E332-K362 IonicContact OE1-NZ 2.54Å; E332-K362 PolarHBondContact OE1-NZ 2.98Å; E332-K362 IonicContact OE2-NZ 2.77Å; E332-K362 PolarHBondContact OE2-NZ 2.75Å; W335-K362 HydrophobicContact CD2-CB 4.11Å; W335-K362 HydrophobicContact CD2-CD 3.99Å; W335-K362 HydrophobicContact CD2-CG 3.74Å; W335-K362 HydrophobicContact CE3-CB 3.95Å; W335-K362 HydrophobicContact CE3-CG 3.95Å; W335-K362 HydrophobicContact CG-CD 4.19Å; W335-K362 HydrophobicContact CG-CG 4.2Å; W335-K362 HydrophobicContact CH2-CB 3.7Å; W335-K362 HydrophobicContact CH2-CG 4.4Å; W335-K362 HydrophobicContact CZ2-CB 3.86Å; W335-K362 HydrophobicContact CZ2-CD 4.17Å; W335-K362 HydrophobicContact CZ2-CG 4.22Å; W335-K362 VanDerWaalsContact CZ3-CA 3.41Å; W335-K362 HydrophobicContact CZ3-CB 3.75Å; W335-K362 HydrophobicContact CZ3-CG 4.28Å; E358-K362 WeakPolarHBondContact O-CB 3.48Å; E358-K362 PolarHBondContact O-N 3.35Å; L360-K362 VanDerWaalsContact C-N 3.32Å; L360-K362 PolarHBondContact O-N 3.38Å; K362-T365 PolarHBondContact O-N 3.46Å; K362-F366 HydrophobicContact CD-CE2 4.21Å; K362-F366 HydrophobicContact CD-CZ 4.14Å; K362-F366 VanDerWaalsContact CE-CE2 3.41Å; K362-F366 HydrophobicContact CG-CD1 4.45Å; K362-F366 HydrophobicContact CG-CD2 4.18Å; K362-F366 HydrophobicContact CG-CE1 4.19Å; K362-F366 HydrophobicContact CG-CE2 3.88Å; K362-F366 HydrophobicContact CG-CG 4.49Å; K362-F366 HydrophobicContact CG-CZ 3.92Å; K362-F366 WeakPolarHBondContact O-CB 3.48Å; K362-F366 VanDerWaalsContact O-CG 3.26Å; K362-F366 WeakPolarHBondContact O-CG 3.18Å; K362-F366 PolarHBondContact O-N 3.44Å
363	R	96.7	Very high	93.4	Very high	20 Å²	20	34 Å²	34	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-41.7	175.1	-72.5	176.2	-156.6	-101.7	-1.3	112.4	S359 L360 V361 A367 A407 V410 L412	S359-R363 WeakPolarHBondContact O-CG 3.31Å; S359-R363 PolarHBondContact O-N 3.16Å; L360-R363 PolarHBondContact O-N 3.15Å; V361-R363 VanDerWaalsContact C-N 3.33Å; V361-R363 PolarHBondContact O-N 2.87Å; R363-A367 PolarHBondContact O-N 3Å; R363-A367 VanDerWaalsContact O-N 3.17Å; R363-A407 HydrophobicContact CB-CB 4.21Å; R363-A407 VanDerWaalsContact CD-O 3.26Å; R363-A407 WeakPolarHBondContact CD-O 3.42Å; R363-V410 HydrophobicContact CB-CB 4.01Å; R363-V410 HydrophobicContact CB-CG1 4.2Å; R363-V410 HydrophobicContact CG-CB 4.17Å; R363-V410 HydrophobicContact CG-CG1 4.35Å; R363-V410 PolarHBondContact NH1-O 3.31Å; R363-L412 HydrophobicContact CG-CD2 3.86Å
364	L	96.8	Very high	94.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-45.1	176.2	-61.8	-179.2	0	0	0	111.2	V171 F172 L309 T312 L360 V361 A367 S368 H405 A407	V171-L364 HydrophobicContact CG2-CD2 3.72Å; F172-L364 HydrophobicContact CB-CD2 3.81Å; F172-L364 HydrophobicContact CD1-CB 4.09Å; F172-L364 HydrophobicContact CD1-CD1 4.45Å; F172-L364 HydrophobicContact CD1-CD2 3.78Å; F172-L364 HydrophobicContact CD1-CG 4.31Å; F172-L364 HydrophobicContact CE1-CB 4.19Å; F172-L364 HydrophobicContact CG-CD1 4.43Å; F172-L364 HydrophobicContact CG-CD2 4Å; L309-L364 HydrophobicContact CD2-CD1 3.48Å; L309-L364 VanDerWaalsContact CD2-CD1 3.48Å; T312-L364 HydrophobicContact CG2-CB 4.26Å; T312-L364 HydrophobicContact CG2-CD1 4.08Å; L360-L364 HydrophobicContact CD1-CD1 4.21Å; L360-L364 HydrophobicContact CD1-CG 4.21Å; L360-L364 HydrophobicContact CG-CD1 4.32Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.74Å; L360-L364 VanDerWaalsContact O-N 3.09Å; V361-L364 WeakPolarHBondContact O-CB 3.37Å; V361-L364 PolarHBondContact O-N 3.13Å; V361-L364 VanDerWaalsContact O-N 3.09Å; L364-A367 PolarHBondContact O-N 3.13Å; L364-S368 WeakPolarHBondContact O-CB 3.29Å; L364-S368 PolarHBondContact O-N 2.81Å; L364-S368 VanDerWaalsContact O-N 3.11Å; L364-H405 HydrophobicContact CD2-CB 4.24Å; L364-A407 HydrophobicContact CD2-CB 3.79Å; L364-A407 HydrophobicContact CG-CB 4.43Å
365	T	96.8	Very high	95.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-48.6	176.5	-56.7	0	0	0	0	111.1	P327 W335 F338 V361 K362 A367 S368	P327-T365 HydrophobicContact CB-CG2 3.68Å; P327-T365 HydrophobicContact CG-CG2 3.8Å; W335-T365 HydrophobicContact CE3-CG2 4.21Å; F338-T365 HydrophobicContact CB-CG2 4.07Å; F338-T365 HydrophobicContact CD1-CG2 4.23Å; F338-T365 WeakPolarHBondContact CD1-OG1 3.27Å; F338-T365 HydrophobicContact CD2-CG2 3.98Å; F338-T365 WeakPolarHBondContact CE1-OG1 3.11Å; F338-T365 HydrophobicContact CE2-CG2 4.47Å; F338-T365 HydrophobicContact CG-CG2 3.84Å; V361-T365 PolarHBondContact O-N 2.71Å; V361-T365 PolarHBondContact O-OG1 3.39Å; K362-T365 PolarHBondContact O-N 3.46Å; T365-A367 VanDerWaalsContact C-N 3.29Å; T365-A367 PolarHBondContact O-N 3.14Å; T365-S368 WeakPolarHBondContact O-CB 3.19Å; T365-S368 PolarHBondContact O-N 3.45Å; T365-S368 PolarHBondContact O-OG 3.21Å
366	F	96.1	Very high	95.7	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-32.7	-179.5	-76.8	-6.8	0	0	0	113.9	P329 W330 W335 K362 V410	P329-F366 WeakPolarHBondContact CA-O 3.38Å; W330-F366 HydrophobicContact CB-CD2 4.42Å; W330-F366 HydrophobicContact CB-CG 4.47Å; W330-F366 AromaticContact CD1-CD2 3.36Å; W330-F366 AromaticContact CD1-CE2 3.83Å; W330-F366 AromaticContact CD1-CG 3.93Å; W330-F366 HydrophobicContact CG-CB 4.27Å; W330-F366 HydrophobicContact CG-CD2 4.02Å; W330-F366 HydrophobicContact CG-CE2 4.47Å; W330-F366 HydrophobicContact CG-CG 4.2Å; W330-F366 AromaticContact NE1-CD2 3.96Å; W335-F366 HydrophobicContact CB-CE1 3.9Å; W335-F366 HydrophobicContact CG-CE1 4.5Å; K362-F366 HydrophobicContact CD-CE2 4.21Å; K362-F366 HydrophobicContact CD-CZ 4.14Å; K362-F366 VanDerWaalsContact CE-CE2 3.41Å; K362-F366 HydrophobicContact CG-CD1 4.45Å; K362-F366 HydrophobicContact CG-CD2 4.18Å; K362-F366 HydrophobicContact CG-CE1 4.19Å; K362-F366 HydrophobicContact CG-CE2 3.88Å; K362-F366 HydrophobicContact CG-CG 4.49Å; K362-F366 HydrophobicContact CG-CZ 3.92Å; K362-F366 WeakPolarHBondContact O-CB 3.48Å; K362-F366 VanDerWaalsContact O-CG 3.26Å; K362-F366 WeakPolarHBondContact O-CG 3.18Å; K362-F366 PolarHBondContact O-N 3.44Å; F366-V410 HydrophobicContact CB-CG1 4.48Å
367	A	95.8	Very high	96	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-91.7	-6.3	179	0	0	0	0	0	113.9	G170 V171 R363 L364 T365 Q369 G370 V410 C435	G170-A367 WeakPolarHBondContact CA-O 3.42Å; V171-A367 HydrophobicContact CG1-CB 3.9Å; V171-A367 HydrophobicContact CG2-CB 4.05Å; R363-A367 PolarHBondContact O-N 3Å; R363-A367 VanDerWaalsContact O-N 3.17Å; L364-A367 PolarHBondContact O-N 3.13Å; T365-A367 VanDerWaalsContact C-N 3.29Å; T365-A367 PolarHBondContact O-N 3.14Å; A367-Q369 PolarHBondContact O-N 3.29Å; A367-G370 PolarHBondContact O-N 3.43Å; A367-V410 HydrophobicContact CB-CG1 4.45Å; A367-V410 HydrophobicContact CB-CG2 3.88Å; A367-C435 HydrophobicContact CB-CB 4.31Å
368	S	95.6	Very high	96.3	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.021	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.1	-162.8	61.5	0	0	0	0	116.6	L364 T365	L364-S368 WeakPolarHBondContact O-CB 3.29Å; L364-S368 PolarHBondContact O-N 2.81Å; L364-S368 VanDerWaalsContact O-N 3.11Å; T365-S368 WeakPolarHBondContact O-CB 3.19Å; T365-S368 PolarHBondContact O-N 3.45Å; T365-S368 PolarHBondContact O-OG 3.21Å
369	Q	93.3	Very high	96.5	Very high	65 Å²	65	10.4 Å²	10.4	30%	0.304	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.7	174.8	-76.8	-172.9	16.9	0	0	114.5	Y326 P327 P329 A367	Y326-Q369 PolarHBondContact O-NE2 2.88Å; P327-Q369 WeakPolarHBondContact O-CG 3.38Å; P327-Q369 PolarHBondContact O-NE2 3.5Å; P327-Q369 VanDerWaalsContact O-NE2 3.08Å; P329-Q369 HydrophobicContact CG-CB 4.32Å; A367-Q369 PolarHBondContact O-N 3.29Å
370	G	94	Very high	96.7	Very high	2 Å²	2	8 Å²	8	2%	0.021	4%	0.038	C	C	.	.			trans	-84	-174.9	-179.5	0	0	0	0	0	113.4	G170 A367 D431	G170-G370 WeakPolarHBondContact CA-O 3.4Å; G170-G370 PolarHBondContact N-O 3.13Å; A367-G370 PolarHBondContact O-N 3.43Å; G370-D431 WeakPolarHBondContact CA-O 3.15Å
371	Q	95	Very high	96.9	Very high	13 Å²	13	7.3 Å²	7.3	6%	0.061	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-148.2	143.3	174.4	-69.7	-150.1	-43.5	0	0	109.9	T69 K143 I168 D431	T69-Q371 HydrophobicContact CG2-CB 3.84Å; K143-Q371 VanDerWaalsContact CE-NE2 3.29Å; I168-Q371 HydrophobicContact CD1-CB 3.87Å; I168-Q371 HydrophobicContact CD1-CG 4.13Å; I168-Q371 HydrophobicContact CG1-CB 4.4Å; I168-Q371 HydrophobicContact CG1-CG 4.1Å; Q371-D431 HydrophobicContact CB-CB 4.04Å
372	L	96	Very high	97	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.035	C	C	.	.			trans	-109.4	117.8	173.1	-65.5	-175.6	0	0	0	110.1	V171 P374 L375 C376 I409 L432 C435 L1177	V171-L372 HydrophobicContact CB-CD1 4.14Å; V171-L372 HydrophobicContact CG1-CD1 3.84Å; V171-L372 HydrophobicContact CG1-CG 4.31Å; L372-P374 VanDerWaalsContact C-CD 3.44Å; L372-P374 VanDerWaalsContact C-N 3.26Å; L372-L375 HydrophobicContact CB-CB 4.24Å; L372-L375 HydrophobicContact CB-CD1 4.17Å; L372-L375 HydrophobicContact CB-CG 4.2Å; L372-L375 HydrophobicContact CD1-CD1 4.01Å; L372-L375 HydrophobicContact CD1-CG 4.41Å; L372-L375 HydrophobicContact CG-CD1 4.46Å; L372-L375 WeakPolarHBondContact O-CA 3.45Å; L372-L375 PolarHBondContact O-N 3.42Å; L372-C376 PolarHBondContact O-N 2.93Å; L372-I409 HydrophobicContact CD1-CD1 3.77Å; L372-I409 HydrophobicContact CD2-CD1 4.37Å; L372-L432 HydrophobicContact CD2-CD1 3.6Å; L372-C435 HydrophobicContact CD2-CB 4.13Å; L372-L1177 HydrophobicContact CD1-CD2 4.41Å
373	A	97	Very high	97.1	Very high	4 Å²	4	5.6 Å²	5.6	3%	0.033	3%	0.027	C	C	.	.	H	α-helix	trans	-50.6	-38.6	173.8	0	0	0	0	0	113.8	L375 C376 A377 L467	A373-L375 PolarHBondContact O-N 3.36Å; A373-C376 VanDerWaalsContact O-CB 3.29Å; A373-C376 WeakPolarHBondContact O-CB 3.36Å; A373-C376 PolarHBondContact O-N 3.12Å; A373-A377 PolarHBondContact O-N 3.15Å; A373-L467 HydrophobicContact CB-CB 3.69Å; A373-L467 HydrophobicContact CB-CD1 3.82Å; A373-L467 HydrophobicContact CB-CG 4.41Å
374	P	98.1	Very high	97.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59	-39.9	171.8	-29.6	37.9	0	0	0	114.8	L372 A377 I378 L468 C1176 L1177 L1180	L372-P374 VanDerWaalsContact C-CD 3.44Å; L372-P374 VanDerWaalsContact C-N 3.26Å; P374-A377 PolarHBondContact O-N 3.29Å; P374-I378 WeakPolarHBondContact O-CG1 3.47Å; P374-I378 PolarHBondContact O-N 3.07Å; P374-L468 HydrophobicContact CG-CD1 3.94Å; P374-L468 HydrophobicContact CG-CD2 4.18Å; P374-L468 HydrophobicContact CG-CG 4.34Å; P374-C1176 HydrophobicContact CB-CB 3.83Å; P374-C1176 HydrophobicContact CG-CB 3.55Å; P374-L1177 HydrophobicContact CB-CD2 3.78Å; P374-L1177 HydrophobicContact CB-CG 4.13Å; P374-L1180 HydrophobicContact CG-CD1 4.23Å
375	L	98.3	Very high	97.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-70.7	-35.2	175.1	-72.4	175.3	0	0	0	111.4	I168 L372 A373 A377 I378 F379 I404 L1177	I168-L375 HydrophobicContact CD1-CB 4.05Å; I168-L375 HydrophobicContact CG2-CB 4Å; L372-L375 HydrophobicContact CB-CB 4.24Å; L372-L375 HydrophobicContact CB-CD1 4.17Å; L372-L375 HydrophobicContact CB-CG 4.2Å; L372-L375 HydrophobicContact CD1-CD1 4.01Å; L372-L375 HydrophobicContact CD1-CG 4.41Å; L372-L375 HydrophobicContact CG-CD1 4.46Å; L372-L375 WeakPolarHBondContact O-CA 3.45Å; L372-L375 PolarHBondContact O-N 3.42Å; A373-L375 PolarHBondContact O-N 3.36Å; L375-A377 VanDerWaalsContact C-N 3.3Å; L375-A377 PolarHBondContact O-N 3.49Å; L375-I378 HydrophobicContact CD2-CD1 4.19Å; L375-I378 PolarHBondContact O-N 2.7Å; L375-F379 HydrophobicContact CD2-CE2 4.38Å; L375-F379 WeakPolarHBondContact O-CD2 3.29Å; L375-F379 PolarHBondContact O-N 2.7Å; L375-I404 HydrophobicContact CD2-CG2 4.33Å; L375-L1177 HydrophobicContact CD2-CD1 3.95Å; L375-L1177 HydrophobicContact CD2-CD2 4.39Å; L375-L1177 HydrophobicContact CG-CD2 4.26Å
376	C	98.4	Very high	97.3	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.007	2%	0.023	C	C	.	.	H	α-helix	trans	-56.1	-46.1	170.6	-62.9	0	0	0	0	111.2	G37 V38 E41 I168 L372 A373 G380	G37-C376 VanDerWaalsContact C-SG 3.58Å; G37-C376 WeakPolarHBondContact O-CB 3.31Å; V38-C376 HydrophobicContact CG2-CB 4.42Å; E41-C376 HydrophobicContact CG-CB 4.36Å; I168-C376 WeakPolarHBondContact CD1-SG 3.5Å; L372-C376 PolarHBondContact O-N 2.93Å; A373-C376 VanDerWaalsContact O-CB 3.29Å; A373-C376 WeakPolarHBondContact O-CB 3.36Å; A373-C376 PolarHBondContact O-N 3.12Å; C376-G380 WeakPolarHBondContact O-CA 3.16Å; C376-G380 PolarHBondContact O-N 3.08Å
377	A	98.6	Very high	97.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.9	-39.5	178.5	0	0	0	0	0	112.7	A373 P374 L375 G381	A373-A377 PolarHBondContact O-N 3.15Å; P374-A377 PolarHBondContact O-N 3.29Å; L375-A377 VanDerWaalsContact C-N 3.3Å; L375-A377 PolarHBondContact O-N 3.49Å; A377-G381 PolarHBondContact O-N 2.98Å
378	I	98.7	Very high	97.6	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.1	-59.5	176.2	-70	161.5	0	0	0	110.9	P374 L375 G380 G381 I382 I404 T1170 L1174 L1177	P374-I378 WeakPolarHBondContact O-CG1 3.47Å; P374-I378 PolarHBondContact O-N 3.07Å; L375-I378 HydrophobicContact CD2-CD1 4.19Å; L375-I378 PolarHBondContact O-N 2.7Å; I378-G380 VanDerWaalsContact C-N 3.33Å; I378-G380 PolarHBondContact O-N 3.02Å; I378-G381 PolarHBondContact O-N 3.04Å; I378-I382 HydrophobicContact CG2-CD1 3.95Å; I378-I382 WeakPolarHBondContact O-CG1 3.39Å; I378-I382 PolarHBondContact O-N 3.06Å; I378-I404 HydrophobicContact CG2-CD1 3.65Å; I378-T1170 HydrophobicContact CG2-CG2 4.34Å; I378-T1170 PolarHBondContact O-OG1 3.11Å; I378-L1174 HydrophobicContact CD1-CD2 3.8Å; I378-L1174 HydrophobicContact CD1-CG 4.06Å; I378-L1174 HydrophobicContact CG1-CD2 4.37Å; I378-L1174 HydrophobicContact CG1-CG 4.18Å; I378-L1177 HydrophobicContact CD1-CD1 3.44Å; I378-L1177 VanDerWaalsContact CD1-CD1 3.44Å; I378-L1177 HydrophobicContact CD1-CG 4Å
379	F	98.7	Very high	97.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-67.9	-34.5	-177.2	-80.8	-75.8	0	0	0	112.1	V38 T166 I168 G173 N174 L175 L375 I382 A383 L402 I404	V38-F379 HydrophobicContact CG1-CB 4.28Å; T166-F379 WeakPolarHBondContact OG1-CD1 3.33Å; I168-F379 HydrophobicContact CG2-CB 4.5Å; I168-F379 HydrophobicContact CG2-CD2 3.64Å; I168-F379 HydrophobicContact CG2-CE2 4.26Å; I168-F379 HydrophobicContact CG2-CG 4.29Å; G173-F379 VanDerWaalsContact CA-CE2 3.44Å; G173-F379 VanDerWaalsContact O-CZ 3.28Å; G173-F379 WeakPolarHBondContact O-CZ 3.49Å; N174-F379 WeakPolarHBondContact O-CD1 3.34Å; N174-F379 WeakPolarHBondContact O-CE1 3.48Å; L175-F379 HydrophobicContact CB-CD1 3.98Å; L175-F379 HydrophobicContact CB-CE1 3.99Å; L375-F379 HydrophobicContact CD2-CE2 4.38Å; L375-F379 WeakPolarHBondContact O-CD2 3.29Å; L375-F379 PolarHBondContact O-N 2.7Å; F379-I382 PolarHBondContact O-N 2.91Å; F379-A383 WeakPolarHBondContact O-CB 3.36Å; F379-A383 PolarHBondContact O-N 3.23Å; F379-L402 HydrophobicContact CE1-CD2 4.48Å; F379-I404 HydrophobicContact CE2-CB 4.13Å; F379-I404 HydrophobicContact CZ-CB 3.97Å; F379-I404 HydrophobicContact CZ-CD1 4.28Å; F379-I404 HydrophobicContact CZ-CG1 4.22Å
380	G	98.5	Very high	97.9	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-66.9	-40.2	175.6	0	0	0	0	0	113.4	C376 I378 A384	C376-G380 WeakPolarHBondContact O-CA 3.16Å; C376-G380 PolarHBondContact O-N 3.08Å; I378-G380 VanDerWaalsContact C-N 3.33Å; I378-G380 PolarHBondContact O-N 3.02Å; G380-A384 VanDerWaalsContact O-CB 3.24Å; G380-A384 WeakPolarHBondContact O-CB 3.47Å; G380-A384 PolarHBondContact O-N 2.81Å; G380-A384 VanDerWaalsContact O-N 3.08Å
381	G	98.5	Very high	98.1	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-64.7	-45.8	173.4	0	0	0	0	0	112.8	A377 I378 Q385 T1166	A377-G381 PolarHBondContact O-N 2.98Å; I378-G381 PolarHBondContact O-N 3.04Å; G381-Q385 PolarHBondContact O-N 3.06Å; G381-T1166 WeakPolarHBondContact O-CB 3.43Å; G381-T1166 WeakPolarHBondContact O-CG2 3.28Å
382	I	98.7	Very high	98.2	Very high	3 Å²	3	1 Å²	1	2%	0.015	1%	0.006	C	C	.	.	H	α-helix	trans	-68	-48.3	179.9	-62.6	171.8	0	0	0	110.8	L175 I378 F379 A384 Q385 E386 I398 L402 I404 T1170 L1234	L175-I382 HydrophobicContact CD1-CB 4.29Å; L175-I382 HydrophobicContact CD1-CG2 3.75Å; I378-I382 HydrophobicContact CG2-CD1 3.95Å; I378-I382 WeakPolarHBondContact O-CG1 3.39Å; I378-I382 PolarHBondContact O-N 3.06Å; F379-I382 PolarHBondContact O-N 2.91Å; I382-A384 VanDerWaalsContact C-N 3.33Å; I382-A384 PolarHBondContact O-N 2.85Å; I382-Q385 WeakPolarHBondContact O-CA 3.39Å; I382-Q385 WeakPolarHBondContact O-CB 3.49Å; I382-Q385 PolarHBondContact O-N 2.99Å; I382-E386 HydrophobicContact CG2-CG 4.34Å; I382-E386 WeakPolarHBondContact O-CG 3.29Å; I382-E386 PolarHBondContact O-N 3.44Å; I382-I398 HydrophobicContact CG2-CD1 3.66Å; I382-L402 HydrophobicContact CD1-CD2 3.77Å; I382-L402 HydrophobicContact CG2-CD2 4.12Å; I382-I404 HydrophobicContact CD1-CD1 4.3Å; I382-T1170 HydrophobicContact CD1-CG2 4.16Å; I382-T1170 HydrophobicContact CG1-CG2 4.05Å; I382-L1234 HydrophobicContact CG1-CD2 4.09Å
383	A	98.7	Very high	98.3	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.2	-38	-179.9	0	0	0	0	0	112.7	I42 I164 T166 L175 F379 Q385 E386 A387	I42-A383 HydrophobicContact CD1-CB 3.75Å; I42-A383 HydrophobicContact CG1-CB 3.99Å; I164-A383 HydrophobicContact CG2-CB 4.32Å; T166-A383 HydrophobicContact CG2-CB 3.77Å; L175-A383 HydrophobicContact CD1-CB 3.83Å; F379-A383 WeakPolarHBondContact O-CB 3.36Å; F379-A383 PolarHBondContact O-N 3.23Å; A383-Q385 VanDerWaalsContact C-N 3.35Å; A383-E386 PolarHBondContact O-N 2.93Å; A383-A387 WeakPolarHBondContact O-CB 3.37Å; A383-A387 PolarHBondContact O-N 3.37Å
384	A	98.7	Very high	98.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64.3	-39.7	172.3	0	0	0	0	0	111.9	I42 S45 L46 G380 I382 A387 M388 T1166	I42-A384 HydrophobicContact CG2-CB 4.41Å; S45-A384 VanDerWaalsContact CB-CB 3.41Å; L46-A384 HydrophobicContact CD2-CB 4.16Å; L46-A384 HydrophobicContact CG-CB 4.14Å; G380-A384 VanDerWaalsContact O-CB 3.24Å; G380-A384 WeakPolarHBondContact O-CB 3.47Å; G380-A384 PolarHBondContact O-N 2.81Å; G380-A384 VanDerWaalsContact O-N 3.08Å; I382-A384 VanDerWaalsContact C-N 3.33Å; I382-A384 PolarHBondContact O-N 2.85Å; A384-A387 PolarHBondContact O-N 3.15Å; A384-M388 VanDerWaalsContact O-CG 3.26Å; A384-M388 WeakPolarHBondContact O-CG 3.36Å; A384-M388 PolarHBondContact O-N 3.47Å; A384-T1166 HydrophobicContact CB-CG2 3.88Å
385	Q	98.6	Very high	98.2	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-62.5	-46.4	173.6	-171.1	68.3	42.4	0	0	111.3	G381 I382 A383 A387 M388 K389 T1166 L1234	G381-Q385 PolarHBondContact O-N 3.06Å; I382-Q385 WeakPolarHBondContact O-CA 3.39Å; I382-Q385 WeakPolarHBondContact O-CB 3.49Å; I382-Q385 PolarHBondContact O-N 2.99Å; A383-Q385 VanDerWaalsContact C-N 3.35Å; Q385-A387 VanDerWaalsContact C-N 3.31Å; Q385-A387 PolarHBondContact O-N 2.88Å; Q385-M388 CarbonylContact O-C 3.55Å; Q385-M388 WeakPolarHBondContact O-CA 3.46Å; Q385-M388 WeakPolarHBondContact O-CB 3.33Å; Q385-M388 PolarHBondContact O-N 3.13Å; Q385-M388 VanDerWaalsContact O-N 3.08Å; Q385-K389 WeakPolarHBondContact O-CG 3.38Å; Q385-K389 PolarHBondContact O-N 3.18Å; Q385-T1166 HydrophobicContact CB-CG2 4.11Å; Q385-T1166 PolarHBondContact OE1-OG1 3.39Å; Q385-L1234 HydrophobicContact CB-CD1 4.25Å; Q385-L1234 HydrophobicContact CG-CB 3.87Å; Q385-L1234 HydrophobicContact CG-CD1 4.37Å
386	E	98.7	Very high	98.1	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-61.8	-38.2	177.6	-65.9	-50.3	120.5	0	0	112	I164 L175 F179 I382 A383 M388 K389 A390 P397 I398	I164-E386 HydrophobicContact CD1-CB 3.78Å; L175-E386 HydrophobicContact CD2-CG 4.42Å; F179-E386 HydrophobicContact CZ-CB 4.35Å; I382-E386 HydrophobicContact CG2-CG 4.34Å; I382-E386 WeakPolarHBondContact O-CG 3.29Å; I382-E386 PolarHBondContact O-N 3.44Å; A383-E386 PolarHBondContact O-N 2.93Å; E386-M388 VanDerWaalsContact C-N 3.31Å; E386-M388 PolarHBondContact O-N 3.35Å; E386-K389 WeakPolarHBondContact O-CB 3.33Å; E386-K389 PolarHBondContact O-N 3.22Å; E386-K389 VanDerWaalsContact OE1-CE 3.25Å; E386-K389 WeakPolarHBondContact OE1-CE 3.37Å; E386-K389 IonicContact OE1-NZ 3.67Å; E386-K389 PolarHBondContact OE1-NZ 3.36Å; E386-K389 IonicContact OE2-NZ 2.88Å; E386-A390 WeakPolarHBondContact O-CB 3.34Å; E386-A390 PolarHBondContact O-N 3.11Å; E386-P397 VanDerWaalsContact OE2-CA 3.32Å; E386-P397 WeakPolarHBondContact OE2-CA 3.11Å; E386-I398 HydrophobicContact CG-CD1 4.06Å; E386-I398 HydrophobicContact CG-CG1 4.38Å; E386-I398 PolarHBondContact OE2-N 3.41Å
387	A	98.6	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.2	-38.5	173.3	0	0	0	0	0	111.6	L46 V140 I164 A383 A384 Q385 A390 I391	L46-A387 HydrophobicContact CD1-CB 4.5Å; L46-A387 HydrophobicContact CD2-CB 3.99Å; V140-A387 HydrophobicContact CG2-CB 4.11Å; I164-A387 VanDerWaalsContact CD1-CA 3.46Å; I164-A387 HydrophobicContact CD1-CB 3.78Å; A383-A387 WeakPolarHBondContact O-CB 3.37Å; A383-A387 PolarHBondContact O-N 3.37Å; A384-A387 PolarHBondContact O-N 3.15Å; Q385-A387 VanDerWaalsContact C-N 3.31Å; Q385-A387 PolarHBondContact O-N 2.88Å; A387-A390 WeakPolarHBondContact O-CB 3.18Å; A387-A390 PolarHBondContact O-N 2.88Å; A387-I391 WeakPolarHBondContact O-CG1 3.35Å; A387-I391 PolarHBondContact O-N 3.23Å
388	M	98.3	Very high	98.1	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-65	-41	172.5	-66.6	171.6	64.2	0	0	111.7	L17 M25 L46 A49 A384 Q385 E386 A390 I391 T392 I1164 T1166	L17-M388 HydrophobicContact CD1-CE 3.39Å; L17-M388 HydrophobicContact CD2-CE 4.08Å; L17-M388 HydrophobicContact CG-CE 4.32Å; M25-M388 HydrophobicContact CE-CE 4.31Å; M25-M388 HydrophobicContact SD-CE 3.65Å; M25-M388 HydrophobicContact SD-CG 4.1Å; M25-M388 HydrophobicContact SD-SD 4.46Å; L46-M388 HydrophobicContact CD2-CG 4.08Å; A49-M388 HydrophobicContact CB-CE 3.82Å; A49-M388 HydrophobicContact CB-SD 3.66Å; A384-M388 VanDerWaalsContact O-CG 3.26Å; A384-M388 WeakPolarHBondContact O-CG 3.36Å; A384-M388 PolarHBondContact O-N 3.47Å; Q385-M388 CarbonylContact O-C 3.55Å; Q385-M388 WeakPolarHBondContact O-CA 3.46Å; Q385-M388 WeakPolarHBondContact O-CB 3.33Å; Q385-M388 PolarHBondContact O-N 3.13Å; Q385-M388 VanDerWaalsContact O-N 3.08Å; E386-M388 VanDerWaalsContact C-N 3.31Å; E386-M388 PolarHBondContact O-N 3.35Å; M388-A390 VanDerWaalsContact C-N 3.35Å; M388-I391 PolarHBondContact O-N 2.86Å; M388-T392 VanDerWaalsContact O-CB 3.27Å; M388-T392 WeakPolarHBondContact O-CB 3.26Å; M388-T392 VanDerWaalsContact O-CG2 3.24Å; M388-T392 WeakPolarHBondContact O-CG2 3.43Å; M388-T392 PolarHBondContact O-N 3.19Å; M388-T392 PolarHBondContact O-OG1 3.01Å; M388-I1164 HydrophobicContact CE-CD1 3.57Å; M388-I1164 HydrophobicContact SD-CD1 4.13Å; M388-T1166 HydrophobicContact SD-CG2 4.15Å
389	K	98.3	Very high	98	Very high	1 Å²	1	6.8 Å²	6.8	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-60.3	-46.7	174.5	-61	-176.3	-173.8	169.8	0	111.1	Q385 E386 I391 T392 F393 T394 F395 T396 P397 L1234	Q385-K389 WeakPolarHBondContact O-CG 3.38Å; Q385-K389 PolarHBondContact O-N 3.18Å; E386-K389 WeakPolarHBondContact O-CB 3.33Å; E386-K389 PolarHBondContact O-N 3.22Å; E386-K389 VanDerWaalsContact OE1-CE 3.25Å; E386-K389 WeakPolarHBondContact OE1-CE 3.37Å; E386-K389 IonicContact OE1-NZ 3.67Å; E386-K389 PolarHBondContact OE1-NZ 3.36Å; E386-K389 IonicContact OE2-NZ 2.88Å; K389-I391 VanDerWaalsContact C-N 3.32Å; K389-I391 PolarHBondContact O-N 3Å; K389-T392 PolarHBondContact O-N 3.25Å; K389-F393 WeakPolarHBondContact O-CA 3.32Å; K389-F393 PolarHBondContact O-N 3.06Å; K389-T394 WeakPolarHBondContact CA-O 3.47Å; K389-T394 WeakPolarHBondContact CG-O 3.49Å; K389-F395 HydrophobicContact CD-CB 4.05Å; K389-F395 HydrophobicContact CG-CB 4.05Å; K389-T396 PolarHBondContact NZ-O 2.9Å; K389-P397 HydrophobicContact CD-CB 4.32Å; K389-L1234 WeakPolarHBondContact CE-O 3.5Å; K389-L1234 PolarHBondContact NZ-O 3.4Å
390	A	98.1	Very high	97.8	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.008	4%	0.035	C	C	.	.	H	α-helix	trans	-56	-42.1	-179.3	0	0	0	0	0	113.3	K162 F179 E386 A387 M388	K162-A390 HydrophobicContact CB-CB 3.73Å; K162-A390 HydrophobicContact CG-CB 3.94Å; F179-A390 HydrophobicContact CD1-CB 4.1Å; F179-A390 HydrophobicContact CD2-CB 4.35Å; F179-A390 HydrophobicContact CE1-CB 3.76Å; F179-A390 HydrophobicContact CE2-CB 3.97Å; F179-A390 HydrophobicContact CG-CB 4.42Å; F179-A390 HydrophobicContact CZ-CB 3.7Å; E386-A390 WeakPolarHBondContact O-CB 3.34Å; E386-A390 PolarHBondContact O-N 3.11Å; A387-A390 WeakPolarHBondContact O-CB 3.18Å; A387-A390 PolarHBondContact O-N 2.88Å; M388-A390 VanDerWaalsContact C-N 3.35Å
391	I	97.6	Very high	97.8	Very high	6 Å²	6	7 Å²	7	3%	0.031	4%	0.035	C	C	.	.	H	α-helix	trans	-91.9	-23.8	-176.2	69.1	-170.3	0	0	0	113.7	M25 V30 V51 D137 C138 A387 M388 K389	M25-I391 HydrophobicContact CG-CD1 4.07Å; V30-I391 HydrophobicContact CG2-CD1 4.06Å; V30-I391 HydrophobicContact CG2-CG2 4.33Å; V51-I391 HydrophobicContact CG1-CD1 4.07Å; D137-I391 HydrophobicContact CB-CG2 3.89Å; C138-I391 HydrophobicContact CB-CG2 3.82Å; A387-I391 WeakPolarHBondContact O-CG1 3.35Å; A387-I391 PolarHBondContact O-N 3.23Å; M388-I391 PolarHBondContact O-N 2.86Å; K389-I391 VanDerWaalsContact C-N 3.32Å; K389-I391 PolarHBondContact O-N 3Å
392	T	97.3	Very high	97.8	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-99.9	-12.1	-178.7	66.5	0	0	0	0	113.9	A21 R24 M25 M388 K389 T394	A21-T392 HydrophobicContact CB-CG2 4.29Å; A21-T392 VanDerWaalsContact O-CG2 3.26Å; A21-T392 WeakPolarHBondContact O-CG2 3.47Å; R24-T392 VanDerWaalsContact CZ-O 3.3Å; R24-T392 PolarHBondContact NE-O 2.94Å; R24-T392 PolarHBondContact NH2-O 3.16Å; M25-T392 HydrophobicContact CB-CG2 3.79Å; M388-T392 VanDerWaalsContact O-CB 3.27Å; M388-T392 WeakPolarHBondContact O-CB 3.26Å; M388-T392 VanDerWaalsContact O-CG2 3.24Å; M388-T392 WeakPolarHBondContact O-CG2 3.43Å; M388-T392 PolarHBondContact O-N 3.19Å; M388-T392 PolarHBondContact O-OG1 3.01Å; K389-T392 PolarHBondContact O-N 3.25Å; T392-T394 PolarHBondContact O-N 3.38Å; T392-T394 VanDerWaalsContact O-N 3.16Å; T392-T394 PolarHBondContact O-OG1 3.42Å; T392-T394 WeakPolarHBondContact OG1-CB 3.44Å; T392-T394 PolarHBondContact OG1-N 3.31Å
393	F	97.2	Very high	97.7	Very high	64 Å²	64	7.2 Å²	7.2	28%	0.281	4%	0.036	S	C	.	.			trans	54.9	27.3	-173.6	-52	-90.4	0	0	0	112.6	F183 L186 K389	F183-F393 HydrophobicContact CD2-CD1 4.14Å; F183-F393 HydrophobicContact CD2-CE1 4.07Å; F183-F393 AromaticContact CE2-CD1 3.45Å; F183-F393 HydrophobicContact CE2-CD1 3.45Å; F183-F393 VanDerWaalsContact CE2-CD1 3.45Å; F183-F393 AromaticContact CE2-CE1 3.54Å; F183-F393 HydrophobicContact CE2-CE1 3.54Å; F183-F393 HydrophobicContact CE2-CG 4.46Å; F183-F393 AromaticContact CZ-CD1 3.75Å; F183-F393 HydrophobicContact CZ-CD1 3.75Å; F183-F393 HydrophobicContact CZ-CE1 4.29Å; F183-F393 HydrophobicContact CZ-CG 4.45Å; L186-F393 WeakPolarHBondContact CB-O 3.28Å; L186-F393 HydrophobicContact CD1-CB 3.9Å; L186-F393 HydrophobicContact CG-CB 3.8Å; L186-F393 PolarHBondContact N-O 3.35Å; K389-F393 WeakPolarHBondContact O-CA 3.32Å; K389-F393 PolarHBondContact O-N 3.06Å
394	T	95.8	Very high	97.7	Very high	6 Å²	6	7.3 Å²	7.3	4%	0.037	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-117.3	134.4	-176.2	-51.6	0	0	0	0	107.4	A21 R24 K389 T392	A21-T394 HydrophobicContact CB-CG2 4.34Å; A21-T394 WeakPolarHBondContact CB-OG1 3.46Å; R24-T394 PolarHBondContact NH2-OG1 3.5Å; K389-T394 WeakPolarHBondContact CA-O 3.47Å; K389-T394 WeakPolarHBondContact CG-O 3.49Å; T392-T394 PolarHBondContact O-N 3.38Å; T392-T394 VanDerWaalsContact O-N 3.16Å; T392-T394 PolarHBondContact O-OG1 3.42Å; T392-T394 WeakPolarHBondContact OG1-CB 3.44Å; T392-T394 PolarHBondContact OG1-N 3.31Å
395	F	97.2	Very high	97.6	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.018	5%	0.046	C	C	.	.	S	Bend	trans	74.7	153.2	-172.9	-52.9	-32.1	0	0	0	115.7	V16 L17 V185 T187 Q188 D189 D190 K389 P397 T718 A1235	V16-F395 HydrophobicContact CG1-CE2 4.21Å; V16-F395 HydrophobicContact CG1-CZ 4.13Å; V16-F395 WeakPolarHBondContact O-CZ 3.33Å; L17-F395 HydrophobicContact CD2-CD2 4.45Å; L17-F395 HydrophobicContact CD2-CE2 3.67Å; L17-F395 HydrophobicContact CD2-CZ 4.26Å; V185-F395 WeakPolarHBondContact CG1-O 3.48Å; T187-F395 VanDerWaalsContact O-CA 3.24Å; T187-F395 WeakPolarHBondContact O-CA 3.26Å; T187-F395 PolarHBondContact O-N 2.94Å; Q188-F395 CarbonylContact O-C 3.48Å; Q188-F395 WeakPolarHBondContact O-CA 3.41Å; D189-F395 VanDerWaalsContact C-CE1 3.49Å; D189-F395 WeakPolarHBondContact O-CE1 3.46Å; D190-F395 HydrophobicContact CB-CE1 3.77Å; D190-F395 HydrophobicContact CB-CZ 3.87Å; K389-F395 HydrophobicContact CD-CB 4.05Å; K389-F395 HydrophobicContact CG-CB 4.05Å; F395-P397 WeakPolarHBondContact O-CD 3.33Å; F395-T718 HydrophobicContact CD2-CG2 4.2Å; F395-T718 HydrophobicContact CE2-CG2 3.62Å; F395-T718 HydrophobicContact CZ-CG2 4.18Å; F395-A1235 HydrophobicContact CB-CB 4.06Å; F395-A1235 VanDerWaalsContact CB-O 3.29Å; F395-A1235 WeakPolarHBondContact CB-O 3.4Å; F395-A1235 HydrophobicContact CD1-CB 3.56Å; F395-A1235 HydrophobicContact CD2-CB 3.85Å; F395-A1235 HydrophobicContact CE1-CB 3.9Å; F395-A1235 HydrophobicContact CE2-CB 4.13Å; F395-A1235 HydrophobicContact CG-CB 3.55Å; F395-A1235 HydrophobicContact CZ-CB 4.16Å
396	T	97.8	Very high	97.4	Very high	17 Å²	17	9.4 Å²	9.4	10%	0.104	5%	0.046	C	C	.	.	P	Polyproline II helix	trans	-77.3	121.6	-179.6	-63.6	0	0	0	0	110.1	Q188 K389 A1235 P1237	Q188-T396 PolarHBondContact O-N 2.91Å; Q188-T396 PolarHBondContact O-OG1 3.06Å; Q188-T396 VanDerWaalsContact O-OG1 3.13Å; K389-T396 PolarHBondContact NZ-O 2.9Å; T396-A1235 PolarHBondContact N-O 3.45Å; T396-P1237 HydrophobicContact CG2-CG 4.34Å
397	P	98	Very high	97.3	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	5%	0.047	C	C	.	.	P	Polyproline II helix	trans	-77.4	159.6	-176.8	33.1	-38.5	0	0	0	113.4	F179 F183 V185 F283 E386 K389 F395 N399	F179-P397 HydrophobicContact CD2-CB 3.8Å; F179-P397 HydrophobicContact CD2-CG 4.15Å; F179-P397 HydrophobicContact CE2-CB 3.44Å; F179-P397 VanDerWaalsContact CE2-CB 3.44Å; F179-P397 HydrophobicContact CE2-CG 4.28Å; F183-P397 HydrophobicContact CD1-CG 4.26Å; F183-P397 HydrophobicContact CE1-CG 4.23Å; V185-P397 HydrophobicContact CG2-CG 4.42Å; F283-P397 HydrophobicContact CE2-CG 4.15Å; F283-P397 HydrophobicContact CZ-CB 3.95Å; F283-P397 HydrophobicContact CZ-CG 3.52Å; E386-P397 VanDerWaalsContact OE2-CA 3.32Å; E386-P397 WeakPolarHBondContact OE2-CA 3.11Å; K389-P397 HydrophobicContact CD-CB 4.32Å; F395-P397 WeakPolarHBondContact O-CD 3.33Å; P397-N399 PolarHBondContact O-N 3.36Å
398	I	98.1	Very high	97	Very high	6 Å²	6	11 Å²	11	3%	0.031	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-65.1	127.8	169.1	-65.8	172.4	0	0	0	108.8	L175 F283 M296 I382 E386 L402 P1237	L175-I398 HydrophobicContact CD2-CB 4.47Å; L175-I398 HydrophobicContact CD2-CD1 3.96Å; L175-I398 HydrophobicContact CD2-CG2 4.34Å; F283-I398 WeakPolarHBondContact CE1-O 3.44Å; M296-I398 HydrophobicContact SD-CD1 4.43Å; M296-I398 HydrophobicContact SD-CG1 4.27Å; I382-I398 HydrophobicContact CG2-CD1 3.66Å; E386-I398 HydrophobicContact CG-CD1 4.06Å; E386-I398 HydrophobicContact CG-CG1 4.38Å; E386-I398 PolarHBondContact OE2-N 3.41Å; I398-L402 HydrophobicContact CD1-CB 4.49Å; I398-L402 HydrophobicContact CD1-CD2 4.04Å; I398-L402 HydrophobicContact CG2-CB 4.47Å; I398-P1237 HydrophobicContact CG1-CB 4.17Å
399	N	96.5	Very high	96.9	Very high	30 Å²	30	11 Å²	11	16%	0.16	6%	0.058	C	C	.	.			trans	-134.3	82.8	-176.6	-172.9	-42.1	0	0	0	109.1	T282 F283 K294 P397	T282-N399 PolarHBondContact O-ND2 3.19Å; F283-N399 HydrophobicContact CE1-CB 4.15Å; F283-N399 HydrophobicContact CZ-CB 4.5Å; K294-N399 WeakPolarHBondContact CD-O 3.45Å; K294-N399 WeakPolarHBondContact CD-OD1 3.23Å; K294-N399 VanDerWaalsContact CE-O 3.3Å; K294-N399 WeakPolarHBondContact CE-O 3.44Å; K294-N399 WeakPolarHBondContact CG-O 3.26Å; K294-N399 PolarHBondContact NZ-OD1 3.45Å; P397-N399 PolarHBondContact O-N 3.36Å
400	Q	95.5	Very high	96.7	Very high	2 Å²	2	11 Å²	11	1%	0.009	6%	0.058	C	C	.	.	S	Bend	cis	-138.3	-41.2	14	-58.7	-169.9	-107.9	0	0	115.3	F176 C177 F283 E284 K294	F176-Q400 HydrophobicContact CD2-CB 4.17Å; F176-Q400 HydrophobicContact CE2-CB 3.97Å; C177-Q400 PolarHBondContact N-O 2.99Å; C177-Q400 PolarHBondContact O-NE2 2.78Å; C177-Q400 VanDerWaalsContact O-NE2 3.14Å; F283-Q400 HydrophobicContact CD1-CG 4.1Å; E284-Q400 PolarHBondContact O-NE2 3.48Å; K294-Q400 PolarHBondContact O-N 3Å; K294-Q400 VanDerWaalsContact O-N 3.1Å
401	W	97.9	Very high	96.4	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139.2	-178.4	-74.1	98.1	0	0	0	112.2	Y165 N174 L175 F176 M286 K294 L295 M296 Y313 Y403	Y165-W401 HydrophobicContact CD1-CH2 4.44Å; Y165-W401 HydrophobicContact CD1-CZ3 4.46Å; N174-W401 HydrophobicContact CB-CE3 4.43Å; N174-W401 HydrophobicContact CB-CZ3 4.28Å; L175-W401 CarbonylContact O-C 3.51Å; L175-W401 VanDerWaalsContact O-CA 3.29Å; L175-W401 WeakPolarHBondContact O-CA 3.33Å; F176-W401 HydrophobicContact CB-CD2 4Å; F176-W401 HydrophobicContact CB-CE3 3.77Å; F176-W401 HydrophobicContact CB-CH2 3.79Å; F176-W401 HydrophobicContact CB-CZ2 4.02Å; F176-W401 HydrophobicContact CB-CZ3 3.67Å; F176-W401 AromaticContact CD2-CD1 3.88Å; F176-W401 AromaticContact CD2-CD2 3.76Å; F176-W401 HydrophobicContact CD2-CD2 3.76Å; F176-W401 AromaticContact CD2-CE2 3.35Å; F176-W401 HydrophobicContact CD2-CE3 4.41Å; F176-W401 HydrophobicContact CD2-CG 4.08Å; F176-W401 HydrophobicContact CD2-CH2 4.32Å; F176-W401 AromaticContact CD2-CZ2 3.67Å; F176-W401 HydrophobicContact CD2-CZ2 3.67Å; F176-W401 AromaticContact CD2-NE1 3.48Å; F176-W401 HydrophobicContact CE2-CZ2 4.37Å; F176-W401 AromaticContact CE2-NE1 3.82Å; F176-W401 HydrophobicContact CG-CD2 4.31Å; F176-W401 HydrophobicContact CG-CH2 4.17Å; F176-W401 AromaticContact CG-CZ2 3.94Å; F176-W401 HydrophobicContact CG-CZ2 3.94Å; F176-W401 HydrophobicContact CG-CZ3 4.48Å; M286-W401 HydrophobicContact CE-CH2 4.24Å; M286-W401 HydrophobicContact CE-CZ2 4.48Å; M286-W401 HydrophobicContact CG-CZ2 4.5Å; K294-W401 PolarHBondContact O-N 2.89Å; L295-W401 HydrophobicContact CD2-CB 3.69Å; L295-W401 HydrophobicContact CD2-CG 4.4Å; M296-W401 PolarHBondContact N-O 2.78Å; Y313-W401 HydrophobicContact CE1-CH2 4.19Å; Y313-W401 HydrophobicContact CE1-CZ3 4.37Å; W401-Y403 HydrophobicContact CB-CD2 4.5Å; W401-Y403 HydrophobicContact CB-CE2 4Å; W401-Y403 HydrophobicContact CD2-CE2 4.38Å; W401-Y403 HydrophobicContact CE3-CE2 4.12Å; W401-Y403 AromaticContact CE3-CZ 3.96Å; W401-Y403 HydrophobicContact CG-CE2 4.38Å
402	L	97.9	Very high	95.9	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.5	169.3	169.3	66.4	0	0	0	109.6	N174 L175 M296 V298 F379 I382 I398 I404	N174-L402 CarbonylContact C-O 3.39Å; N174-L402 VanDerWaalsContact CA-O 3.26Å; N174-L402 WeakPolarHBondContact CA-O 3.47Å; L175-L402 HydrophobicContact CB-CB 4.31Å; L175-L402 PolarHBondContact N-O 3.29Å; L175-L402 PolarHBondContact O-N 2.94Å; M296-L402 HydrophobicContact CB-CD1 4.44Å; M296-L402 HydrophobicContact CE-CD1 4.5Å; M296-L402 HydrophobicContact CG-CD1 4.4Å; M296-L402 HydrophobicContact SD-CD1 4.05Å; V298-L402 HydrophobicContact CG1-CD1 3.53Å; F379-L402 HydrophobicContact CE1-CD2 4.48Å; I382-L402 HydrophobicContact CD1-CD2 3.77Å; I382-L402 HydrophobicContact CG2-CD2 4.12Å; I398-L402 HydrophobicContact CD1-CB 4.49Å; I398-L402 HydrophobicContact CD1-CD2 4.04Å; I398-L402 HydrophobicContact CG2-CB 4.47Å; L402-I404 HydrophobicContact CD1-CD1 4.34Å; L402-I404 HydrophobicContact CD1-CG1 4.09Å; L402-I404 HydrophobicContact CD2-CD1 4.21Å; L402-I404 HydrophobicContact CG-CD1 4.4Å; L402-I404 HydrophobicContact CG-CG1 4.34Å
403	Y	97.8	Very high	95.4	Very high	8 Å²	8	22.1 Å²	22.1	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.3	172.4	-70.9	-86.5	0	0	0	110.5	N174 L295 L309 H310 Y313 W401	N174-Y403 HydrophobicContact CB-CD1 3.83Å; N174-Y403 HydrophobicContact CB-CE1 3.48Å; N174-Y403 VanDerWaalsContact CB-CE1 3.48Å; L295-Y403 HydrophobicContact CD2-CD2 4Å; L295-Y403 HydrophobicContact CD2-CE2 3.82Å; L309-Y403 HydrophobicContact CB-CD1 3.99Å; L309-Y403 HydrophobicContact CB-CG 3.95Å; H310-Y403 HydrophobicContact CB-CE2 3.83Å; H310-Y403 AromaticContact ND1-CE2 3.74Å; H310-Y403 AromaticContact ND1-CZ 3.65Å; H310-Y403 PolarHBondContact ND1-OH 3.3Å; Y313-Y403 WeakPolarHBondContact CD1-OH 3.44Å; Y313-Y403 HydrophobicContact CG-CE1 4.34Å; W401-Y403 HydrophobicContact CB-CD2 4.5Å; W401-Y403 HydrophobicContact CB-CE2 4Å; W401-Y403 HydrophobicContact CD2-CE2 4.38Å; W401-Y403 HydrophobicContact CE3-CE2 4.12Å; W401-Y403 AromaticContact CE3-CZ 3.96Å; W401-Y403 HydrophobicContact CG-CE2 4.38Å
404	I	97.2	Very high	94.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.6	175.4	-58.6	168.9	0	0	0	107.7	F172 G173 L375 I378 F379 I382 L402 L1239 F1241	F172-I404 VanDerWaalsContact CA-O 3.31Å; F172-I404 WeakPolarHBondContact CA-O 3.28Å; G173-I404 PolarHBondContact N-O 2.65Å; G173-I404 PolarHBondContact O-N 2.97Å; L375-I404 HydrophobicContact CD2-CG2 4.33Å; I378-I404 HydrophobicContact CG2-CD1 3.65Å; F379-I404 HydrophobicContact CE2-CB 4.13Å; F379-I404 HydrophobicContact CZ-CB 3.97Å; F379-I404 HydrophobicContact CZ-CD1 4.28Å; F379-I404 HydrophobicContact CZ-CG1 4.22Å; I382-I404 HydrophobicContact CD1-CD1 4.3Å; L402-I404 HydrophobicContact CD1-CD1 4.34Å; L402-I404 HydrophobicContact CD1-CG1 4.09Å; L402-I404 HydrophobicContact CD2-CD1 4.21Å; L402-I404 HydrophobicContact CG-CD1 4.4Å; L402-I404 HydrophobicContact CG-CG1 4.34Å; I404-L1239 HydrophobicContact CD1-CD2 3.35Å; I404-L1239 HydrophobicContact CG1-CD2 4.05Å; I404-F1241 HydrophobicContact CG2-CE2 4.37Å; I404-F1241 HydrophobicContact CG2-CZ 4.19Å
405	H	96.3	Very high	94.4	Very high	44 Å²	44	26.4 Å²	26.4	20%	0.204	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.9	177.1	74.3	106.4	0	0	0	112.8	V171 F172 E305 L309 L364 A407	V171-H405 CarbonylContact O-C 3.2Å; V171-H405 VanDerWaalsContact O-CA 3.24Å; V171-H405 WeakPolarHBondContact O-CA 3.31Å; F172-H405 HydrophobicContact CB-CB 3.49Å; F172-H405 VanDerWaalsContact CB-CB 3.49Å; E305-H405 IonicContact OE1-CE1 3.53Å; E305-H405 IonicContact OE1-NE2 3.29Å; E305-H405 PolarHBondContact OE1-NE2 3.41Å; L309-H405 HydrophobicContact CD2-CB 4.49Å; L364-H405 HydrophobicContact CD2-CB 4.24Å; H405-A407 WeakPolarHBondContact ND1-CB 3.36Å; H405-A407 PolarHBondContact ND1-N 3Å
406	C	95.7	Very high	93.8	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.148	C	C	.	.			trans	-132	45.1	172.7	-163.4	0	0	0	0	110	V171 S408 I409 L1177 K1181	V171-C406 PolarHBondContact O-N 2.89Å; C406-S408 PolarHBondContact O-N 3.08Å; C406-I409 WeakPolarHBondContact O-CG1 3.34Å; C406-I409 PolarHBondContact O-N 3.02Å; C406-L1177 HydrophobicContact CB-CD1 4.4Å; C406-L1177 HydrophobicContact CB-CD2 3.94Å; C406-K1181 VanDerWaalsContact SG-CE 3.51Å
407	A	95.8	Very high	93.3	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.025	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-59	-21.7	-173.9	0	0	0	0	0	114.2	V171 L360 R363 L364 H405 I409 V410	V171-A407 HydrophobicContact CG2-CB 4.36Å; L360-A407 HydrophobicContact CD1-CB 3.41Å; L360-A407 VanDerWaalsContact CD1-CB 3.41Å; R363-A407 HydrophobicContact CB-CB 4.21Å; R363-A407 VanDerWaalsContact CD-O 3.26Å; R363-A407 WeakPolarHBondContact CD-O 3.42Å; L364-A407 HydrophobicContact CD2-CB 3.79Å; L364-A407 HydrophobicContact CG-CB 4.43Å; H405-A407 WeakPolarHBondContact ND1-CB 3.36Å; H405-A407 PolarHBondContact ND1-N 3Å; A407-I409 PolarHBondContact O-N 2.94Å; A407-I409 VanDerWaalsContact O-N 3.15Å; A407-V410 PolarHBondContact O-N 2.79Å; A407-V410 VanDerWaalsContact O-N 3.13Å
408	S	93.4	Very high	92.8	Very high	32 Å²	32	37.1 Å²	37.1	22%	0.224	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.5	-21.4	-179.8	53.5	0	0	0	0	114.3	C406 N1185	C406-S408 PolarHBondContact O-N 3.08Å; S408-N1185 PolarHBondContact O-OD1 2.92Å
409	I	94.9	Very high	92.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-84.3	-12.2	179.6	74.2	176.8	0	0	0	113.5	V171 L372 C406 A407 P411 I436 L1180 K1181 I1184	V171-I409 HydrophobicContact CG1-CD1 4.24Å; V171-I409 HydrophobicContact CG1-CG1 4.18Å; L372-I409 HydrophobicContact CD1-CD1 3.77Å; L372-I409 HydrophobicContact CD2-CD1 4.37Å; C406-I409 WeakPolarHBondContact O-CG1 3.34Å; C406-I409 PolarHBondContact O-N 3.02Å; A407-I409 PolarHBondContact O-N 2.94Å; A407-I409 VanDerWaalsContact O-N 3.15Å; I409-P411 VanDerWaalsContact O-CD 3.29Å; I409-P411 WeakPolarHBondContact O-CD 3.28Å; I409-I436 HydrophobicContact CB-CG2 4.38Å; I409-I436 HydrophobicContact CD1-CG2 3.67Å; I409-I436 HydrophobicContact CG1-CG2 3.85Å; I409-L1180 HydrophobicContact CD1-CB 4.48Å; I409-L1180 HydrophobicContact CD1-CD1 4.13Å; I409-L1180 HydrophobicContact CG2-CB 4.23Å; I409-K1181 HydrophobicContact CG2-CG 4.05Å; I409-I1184 HydrophobicContact CB-CD1 3.78Å; I409-I1184 HydrophobicContact CG2-CD1 4.22Å
410	V	95.7	Very high	92.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-85.2	113.6	-177.3	-177.3	0	0	0	0	108.9	V171 W330 R363 F366 A367 A407	V171-V410 HydrophobicContact CB-CG2 4.14Å; V171-V410 HydrophobicContact CG1-CG2 3.48Å; V171-V410 VanDerWaalsContact CG1-CG2 3.48Å; V171-V410 HydrophobicContact CG2-CG2 3.66Å; W330-V410 HydrophobicContact CZ2-CG1 4.3Å; R363-V410 HydrophobicContact CB-CB 4.01Å; R363-V410 HydrophobicContact CB-CG1 4.2Å; R363-V410 HydrophobicContact CG-CB 4.17Å; R363-V410 HydrophobicContact CG-CG1 4.35Å; R363-V410 PolarHBondContact NH1-O 3.31Å; F366-V410 HydrophobicContact CB-CG1 4.48Å; A367-V410 HydrophobicContact CB-CG1 4.45Å; A367-V410 HydrophobicContact CB-CG2 3.88Å; A407-V410 PolarHBondContact O-N 2.79Å; A407-V410 VanDerWaalsContact O-N 3.13Å
411	P	91.8	Very high	91.9	Very high	28 Å²	28	46.5 Å²	46.5	18%	0.182	24%	0.237	C	C	.	.			trans	-66.2	148.3	172.8	28.4	-35.5	0	0	0	111.6	W330 I409 I414	W330-P411 HydrophobicContact CZ2-CG 4.45Å; W330-P411 PolarHBondContact NE1-O 2.88Å; I409-P411 VanDerWaalsContact O-CD 3.29Å; I409-P411 WeakPolarHBondContact O-CD 3.28Å; P411-I414 HydrophobicContact CB-CG2 3.96Å; P411-I414 HydrophobicContact CG-CG2 3.29Å
412	L	86.6	Confident	91.7	Very high	44 Å²	44	51 Å²	51	23%	0.23	26%	0.258	C	S	.	.	S	Bend	trans	-76.7	-25	175.4	-69.9	174.9	0	0	0	112.8	R363	R363-L412 HydrophobicContact CG-CD2 3.86Å
413	E	85.9	Confident	91.4	Very high	170 Å²	170	53.4 Å²	53.4	79%	0.794	27%	0.271	S	S	*	.			trans	-131.2	129.1	-179.1	-64.2	-176.6	178.4	0	0	110.4
414	I	87.1	Confident	91.2	Very high	52 Å²	52	55.6 Å²	55.6	27%	0.267	28%	0.279	S	S	.	.			trans	-145.1	161.2	171.2	65.6	158.8	0	0	0	110.9	W330 P411 T416 F421	W330-I414 HydrophobicContact CB-CG1 4.27Å; W330-I414 HydrophobicContact CD2-CD1 3.33Å; W330-I414 HydrophobicContact CD2-CG1 3.57Å; W330-I414 HydrophobicContact CE3-CD1 3.28Å; W330-I414 HydrophobicContact CE3-CG1 4.01Å; W330-I414 HydrophobicContact CG-CD1 3.99Å; W330-I414 HydrophobicContact CG-CG1 3.67Å; W330-I414 HydrophobicContact CH2-CD1 3.59Å; W330-I414 HydrophobicContact CZ2-CD1 3.68Å; W330-I414 HydrophobicContact CZ2-CG1 4.31Å; W330-I414 HydrophobicContact CZ2-CG2 4.46Å; W330-I414 HydrophobicContact CZ3-CD1 3.39Å; P411-I414 HydrophobicContact CB-CG2 3.96Å; P411-I414 HydrophobicContact CG-CG2 3.29Å; I414-T416 HydrophobicContact CD1-CG2 3.65Å; I414-T416 HydrophobicContact CG1-CG2 3.83Å; I414-T416 PolarHBondContact O-N 3.18Å; I414-F421 HydrophobicContact CD1-CD2 4.15Å; I414-F421 HydrophobicContact CD1-CE2 3.61Å; I414-F421 HydrophobicContact CD1-CZ 4.25Å
415	N	85	Confident	90.9	Very high	107 Å²	107	57.8 Å²	57.8	57%	0.572	29%	0.291	S	S	*	.			trans	-92.8	84.8	172.2	-173.9	2.1	0	0	0	111.8	K417 S418	N415-K417 PolarHBondContact O-N 3.18Å; N415-K417 PolarHBondContact OD1-N 2.73Å; N415-S418 PolarHBondContact O-N 3.43Å; N415-S418 PolarHBondContact O-OG 3.2Å; N415-S418 PolarHBondContact OD1-N 3.38Å
416	T	85.7	Confident	90.7	Very high	38 Å²	38	59.1 Å²	59.1	23%	0.233	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.4	176.4	52.7	0	0	0	0	114	W330 I414 S418 F421 Q422	W330-T416 HydrophobicContact CB-CG2 4.05Å; W330-T416 HydrophobicContact CE3-CG2 4.06Å; I414-T416 HydrophobicContact CD1-CG2 3.65Å; I414-T416 HydrophobicContact CG1-CG2 3.83Å; I414-T416 PolarHBondContact O-N 3.18Å; T416-S418 VanDerWaalsContact C-N 3.33Å; T416-F421 HydrophobicContact CG2-CE1 4.11Å; T416-F421 HydrophobicContact CG2-CE2 4.46Å; T416-F421 HydrophobicContact CG2-CZ 4.04Å; T416-F421 VanDerWaalsContact O-CD1 3.24Å; T416-F421 WeakPolarHBondContact O-CD1 3.42Å; T416-Q422 PolarHBondContact O-NE2 2.79Å
417	K	86.5	Confident	90.6	Very high	179 Å²	179	59.9 Å²	59.9	78%	0.778	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.7	-179.1	-64	-177.6	-178.7	176	0	113.5	N415	N415-K417 PolarHBondContact O-N 3.18Å; N415-K417 PolarHBondContact OD1-N 2.73Å
418	S	88.3	Confident	90.6	Very high	30 Å²	30	61.2 Å²	61.2	21%	0.21	32%	0.315	C	S	.	.	S	Bend	trans	-64.3	141.6	176.9	61.3	0	0	0	0	111.1	N415 T416 E420 F421 Q422	N415-S418 PolarHBondContact O-N 3.43Å; N415-S418 PolarHBondContact O-OG 3.2Å; N415-S418 PolarHBondContact OD1-N 3.38Å; T416-S418 VanDerWaalsContact C-N 3.33Å; S418-E420 PolarHBondContact O-N 3.41Å; S418-F421 PolarHBondContact O-N 3.14Å; S418-F421 VanDerWaalsContact O-N 3.14Å; S418-F421 VanDerWaalsContact OG-CB 3.24Å; S418-F421 WeakPolarHBondContact OG-CB 3.26Å; S418-F421 PolarHBondContact OG-N 3.14Å; S418-Q422 PolarHBondContact O-N 3.47Å; S418-Q422 VanDerWaalsContact O-N 3.15Å
419	N	89.9	Confident	90.7	Very high	132 Å²	132	60.8 Å²	60.8	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-57.9	-36.9	176.2	-71.1	-11.5	0	0	0	111.4	Q422 N423	N419-Q422 PolarHBondContact O-N 3.33Å; N419-N423 WeakPolarHBondContact O-CB 3.42Å; N419-N423 PolarHBondContact O-N 2.76Å; N419-N423 PolarHBondContact O-OD1 3.49Å
420	E	89.7	Confident	90.7	Very high	96 Å²	96	60.7 Å²	60.7	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-47	175.8	-65.9	178.8	-167.3	0	0	111.8	S418 Q422 N423 Y424 V438 Q442	S418-E420 PolarHBondContact O-N 3.41Å; E420-Q422 VanDerWaalsContact C-N 3.34Å; E420-Q422 PolarHBondContact O-N 3.41Å; E420-N423 PolarHBondContact O-N 2.85Å; E420-Y424 WeakPolarHBondContact O-CD2 3.42Å; E420-Y424 PolarHBondContact O-N 3.33Å; E420-V438 HydrophobicContact CB-CG1 4.13Å; E420-V438 HydrophobicContact CB-CG2 4.3Å; E420-V438 WeakPolarHBondContact OE2-CG1 3.37Å; E420-Q442 PolarHBondContact OE2-NE2 3.48Å
421	F	91.7	Very high	90.7	Very high	7 Å²	7	61.7 Å²	61.7	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-45.6	178	-174.7	-88.6	0	0	0	110.9	W330 I414 T416 S418 N423 Y424 L425 V433 V438	W330-F421 HydrophobicContact CE3-CZ 4.27Å; W330-F421 HydrophobicContact CH2-CE2 4.5Å; W330-F421 AromaticContact CZ3-CE2 3.87Å; W330-F421 HydrophobicContact CZ3-CE2 3.87Å; W330-F421 AromaticContact CZ3-CZ 3.83Å; W330-F421 HydrophobicContact CZ3-CZ 3.83Å; I414-F421 HydrophobicContact CD1-CD2 4.15Å; I414-F421 HydrophobicContact CD1-CE2 3.61Å; I414-F421 HydrophobicContact CD1-CZ 4.25Å; T416-F421 HydrophobicContact CG2-CE1 4.11Å; T416-F421 HydrophobicContact CG2-CE2 4.46Å; T416-F421 HydrophobicContact CG2-CZ 4.04Å; T416-F421 VanDerWaalsContact O-CD1 3.24Å; T416-F421 WeakPolarHBondContact O-CD1 3.42Å; S418-F421 PolarHBondContact O-N 3.14Å; S418-F421 VanDerWaalsContact O-N 3.14Å; S418-F421 VanDerWaalsContact OG-CB 3.24Å; S418-F421 WeakPolarHBondContact OG-CB 3.26Å; S418-F421 PolarHBondContact OG-N 3.14Å; F421-N423 PolarHBondContact O-N 2.82Å; F421-Y424 PolarHBondContact O-N 2.93Å; F421-L425 HydrophobicContact CD1-CD1 4.12Å; F421-L425 HydrophobicContact CD1-CG 4.24Å; F421-L425 HydrophobicContact CE1-CD1 3.86Å; F421-L425 HydrophobicContact CE1-CD2 4Å; F421-L425 HydrophobicContact CE1-CG 4.06Å; F421-L425 HydrophobicContact CZ-CD2 4.28Å; F421-L425 WeakPolarHBondContact O-CG 3.38Å; F421-L425 PolarHBondContact O-N 2.91Å; F421-V433 HydrophobicContact CD2-CG2 3.93Å; F421-V433 HydrophobicContact CE2-CG1 4.46Å; F421-V433 HydrophobicContact CE2-CG2 4.1Å; F421-V438 HydrophobicContact CB-CG2 3.77Å; F421-V438 HydrophobicContact CD2-CG2 4.02Å; F421-V438 HydrophobicContact CG-CG2 4.38Å
422	Q	92.1	Very high	90.9	Very high	97 Å²	97	60.8 Å²	60.8	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-39.6	178.5	-62.9	-60.4	-48.8	0	0	112.5	T416 S418 N419 E420 Y424 L425	T416-Q422 PolarHBondContact O-NE2 2.79Å; S418-Q422 PolarHBondContact O-N 3.47Å; S418-Q422 VanDerWaalsContact O-N 3.15Å; N419-Q422 PolarHBondContact O-N 3.33Å; E420-Q422 VanDerWaalsContact C-N 3.34Å; E420-Q422 PolarHBondContact O-N 3.41Å; Q422-Y424 PolarHBondContact O-N 3.39Å; Q422-L425 WeakPolarHBondContact O-CB 3.49Å; Q422-L425 PolarHBondContact O-N 2.96Å
423	N	92.1	Very high	91.3	Very high	51 Å²	51	58.7 Å²	58.7	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-38.4	176	-71.1	-4.2	0	0	0	112.1	N419 E420 F421 L425 S426 L480	N419-N423 WeakPolarHBondContact O-CB 3.42Å; N419-N423 PolarHBondContact O-N 2.76Å; N419-N423 PolarHBondContact O-OD1 3.49Å; E420-N423 PolarHBondContact O-N 2.85Å; F421-N423 PolarHBondContact O-N 2.82Å; N423-L425 VanDerWaalsContact C-N 3.31Å; N423-L425 PolarHBondContact O-N 3.09Å; N423-S426 PolarHBondContact O-N 3.16Å; N423-S426 PolarHBondContact O-OG 3.17Å; N423-L480 HydrophobicContact CB-CD2 4.1Å
424	Y	93.8	Very high	91.8	Very high	53 Å²	53	51.7 Å²	51.7	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-27.7	177	-80.5	-64.5	0	0	0	113.1	E420 F421 Q422 S426 S427 Y429 A430 V433 V438 L441	E420-Y424 WeakPolarHBondContact O-CD2 3.42Å; E420-Y424 PolarHBondContact O-N 3.33Å; F421-Y424 PolarHBondContact O-N 2.93Å; Q422-Y424 PolarHBondContact O-N 3.39Å; Y424-S426 PolarHBondContact O-N 2.97Å; Y424-S427 WeakPolarHBondContact O-CB 3.11Å; Y424-S427 PolarHBondContact O-N 2.93Å; Y424-S427 PolarHBondContact O-OG 2.95Å; Y424-Y429 HydrophobicContact CD1-CD2 4.29Å; Y424-Y429 HydrophobicContact CE1-CD2 4.16Å; Y424-A430 VanDerWaalsContact O-CA 3.29Å; Y424-A430 WeakPolarHBondContact O-CA 3.43Å; Y424-A430 WeakPolarHBondContact O-CB 3.29Å; Y424-A430 PolarHBondContact O-N 2.98Å; Y424-V433 HydrophobicContact CD2-CG2 4.45Å; Y424-V433 HydrophobicContact CG-CG2 4.42Å; Y424-V438 HydrophobicContact CD2-CG1 4.22Å; Y424-V438 HydrophobicContact CD2-CG2 4.01Å; Y424-V438 HydrophobicContact CE2-CG1 3.86Å; Y424-V438 HydrophobicContact CE2-CG2 4.48Å; Y424-L441 HydrophobicContact CD1-CD2 3.61Å; Y424-L441 HydrophobicContact CD2-CD2 4.14Å; Y424-L441 HydrophobicContact CE1-CD2 3.59Å; Y424-L441 HydrophobicContact CE2-CD2 4.11Å; Y424-L441 HydrophobicContact CG-CD2 3.91Å
425	L	92	Very high	92.2	Very high	47 Å²	47	49.2 Å²	49.2	25%	0.246	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-23.6	175.8	-66.8	-179.3	0	0	0	113.4	Q65 F421 Q422 N423 A430 V433 Q434	Q65-L425 PolarHBondContact NE2-O 2.8Å; F421-L425 HydrophobicContact CD1-CD1 4.12Å; F421-L425 HydrophobicContact CD1-CG 4.24Å; F421-L425 HydrophobicContact CE1-CD1 3.86Å; F421-L425 HydrophobicContact CE1-CD2 4Å; F421-L425 HydrophobicContact CE1-CG 4.06Å; F421-L425 HydrophobicContact CZ-CD2 4.28Å; F421-L425 WeakPolarHBondContact O-CG 3.38Å; F421-L425 PolarHBondContact O-N 2.91Å; Q422-L425 WeakPolarHBondContact O-CB 3.49Å; Q422-L425 PolarHBondContact O-N 2.96Å; N423-L425 VanDerWaalsContact C-N 3.31Å; N423-L425 PolarHBondContact O-N 3.09Å; L425-A430 VanDerWaalsContact O-CB 3.25Å; L425-A430 WeakPolarHBondContact O-CB 3.38Å; L425-V433 HydrophobicContact CD2-CG1 4.01Å; L425-Q434 HydrophobicContact CD2-CG 3.43Å; L425-Q434 VanDerWaalsContact CD2-CG 3.43Å
426	S	90.7	Very high	92.7	Very high	73 Å²	73	44.1 Å²	44.1	51%	0.51	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	9	173.8	55.1	0	0	0	0	113.7	N423 Y424	N423-S426 PolarHBondContact O-N 3.16Å; N423-S426 PolarHBondContact O-OG 3.17Å; Y424-S426 PolarHBondContact O-N 2.97Å
427	S	93.7	Very high	93	Very high	18 Å²	18	42.4 Å²	42.4	13%	0.126	21%	0.213	C	C	.	.	S	Bend	trans	-107.4	172.9	-179.3	80.5	0	0	0	0	111.8	Y424 Y429 A430	Y424-S427 WeakPolarHBondContact O-CB 3.11Å; Y424-S427 PolarHBondContact O-N 2.93Å; Y424-S427 PolarHBondContact O-OG 2.95Å; S427-Y429 PolarHBondContact O-N 2.78Å; S427-Y429 VanDerWaalsContact O-N 3.11Å; S427-Y429 PolarHBondContact OG-N 2.78Å; S427-Y429 VanDerWaalsContact OG-N 3.08Å; S427-A430 WeakPolarHBondContact O-CB 3.48Å; S427-A430 PolarHBondContact O-N 2.74Å; S427-A430 VanDerWaalsContact O-N 3.13Å
428	R	95.4	Very high	93.4	Very high	31 Å²	31	34.6 Å²	34.6	12%	0.117	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24	169.2	71.9	-178.9	-59.2	159.7	6.8	115	E64 L67 G68 A430 I632 N633	E64-R428 VanDerWaalsContact O-CA 3.27Å; E64-R428 WeakPolarHBondContact O-CA 3.25Å; L67-R428 HydrophobicContact CB-CB 3.59Å; L67-R428 HydrophobicContact CD1-CB 4.38Å; L67-R428 PolarHBondContact O-NH2 2.87Å; G68-R428 WeakPolarHBondContact CA-O 3.47Å; G68-R428 PolarHBondContact N-O 3.4Å; R428-A430 VanDerWaalsContact C-N 3.34Å; R428-I632 PolarHBondContact NH1-O 3.12Å; R428-I632 PolarHBondContact NH2-O 2.87Å; R428-N633 PolarHBondContact NH1-OD1 2.82Å
429	Y	96.1	Very high	93.5	Very high	22 Å²	22	36.8 Å²	36.8	9%	0.086	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.6	-177.5	-51.4	-62.3	0	0	0	113	Y424 S427 D431 L432 V433 L441 H445 N633	Y424-Y429 HydrophobicContact CD1-CD2 4.29Å; Y424-Y429 HydrophobicContact CE1-CD2 4.16Å; S427-Y429 PolarHBondContact O-N 2.78Å; S427-Y429 VanDerWaalsContact O-N 3.11Å; S427-Y429 PolarHBondContact OG-N 2.78Å; S427-Y429 VanDerWaalsContact OG-N 3.08Å; Y429-D431 VanDerWaalsContact C-N 3.32Å; Y429-D431 PolarHBondContact O-N 2.75Å; Y429-L432 PolarHBondContact O-N 2.97Å; Y429-L432 VanDerWaalsContact O-N 3.15Å; Y429-V433 PolarHBondContact O-N 2.93Å; Y429-L441 HydrophobicContact CG-CD1 4.46Å; Y429-L441 HydrophobicContact CG-CD2 4.5Å; Y429-H445 AromaticContact CD2-CE1 3.93Å; Y429-H445 AromaticContact CD2-NE2 3.89Å; Y429-H445 AromaticContact CE2-CE1 3.76Å; Y429-H445 AromaticContact CE2-NE2 3.73Å; Y429-H445 AromaticContact CZ-NE2 3.87Å; Y429-N633 PolarHBondContact OH-ND2 3.43Å
430	A	95.8	Very high	93.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.3	-44.9	-177.9	0	0	0	0	0	112.6	Q65 Y424 L425 S427 R428 L432 V433 Q434	Q65-A430 HydrophobicContact CB-CB 4.47Å; Q65-A430 HydrophobicContact CG-CB 3.47Å; Q65-A430 VanDerWaalsContact CG-CB 3.47Å; Y424-A430 VanDerWaalsContact O-CA 3.29Å; Y424-A430 WeakPolarHBondContact O-CA 3.43Å; Y424-A430 WeakPolarHBondContact O-CB 3.29Å; Y424-A430 PolarHBondContact O-N 2.98Å; L425-A430 VanDerWaalsContact O-CB 3.25Å; L425-A430 WeakPolarHBondContact O-CB 3.38Å; S427-A430 WeakPolarHBondContact O-CB 3.48Å; S427-A430 PolarHBondContact O-N 2.74Å; S427-A430 VanDerWaalsContact O-N 3.13Å; R428-A430 VanDerWaalsContact C-N 3.34Å; A430-L432 VanDerWaalsContact C-N 3.33Å; A430-L432 PolarHBondContact O-N 2.8Å; A430-V433 WeakPolarHBondContact O-CG1 3.35Å; A430-Q434 VanDerWaalsContact O-CB 3.31Å; A430-Q434 WeakPolarHBondContact O-CB 3.33Å; A430-Q434 WeakPolarHBondContact O-CG 3.37Å; A430-Q434 PolarHBondContact O-N 2.74Å; A430-Q434 PolarHBondContact O-NE2 3.02Å
431	D	95.3	Very high	93.8	Very high	21 Å²	21	26.7 Å²	26.7	11%	0.112	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-38.5	179.6	-80.6	-6.4	0	0	0	112.1	T69 G370 Q371 Y429 C435	T69-D431 HydrophobicContact CG2-CB 4.49Å; G370-D431 WeakPolarHBondContact CA-O 3.15Å; Q371-D431 HydrophobicContact CB-CB 4.04Å; Y429-D431 VanDerWaalsContact C-N 3.32Å; Y429-D431 PolarHBondContact O-N 2.75Å; D431-C435 PolarHBondContact O-SG 3.21Å
432	L	95.8	Very high	93.8	Very high	9 Å²	9	30 Å²	30	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-71.8	-47.9	178.2	-176.6	57.3	0	0	0	111.4	L372 Y429 A430 Q434 C435 I436 L441 I444 L468	L372-L432 HydrophobicContact CD2-CD1 3.6Å; Y429-L432 PolarHBondContact O-N 2.97Å; Y429-L432 VanDerWaalsContact O-N 3.15Å; A430-L432 VanDerWaalsContact C-N 3.33Å; A430-L432 PolarHBondContact O-N 2.8Å; L432-Q434 PolarHBondContact O-N 3.16Å; L432-C435 WeakPolarHBondContact O-CA 3.38Å; L432-C435 WeakPolarHBondContact O-CB 3.42Å; L432-C435 PolarHBondContact O-N 3.1Å; L432-I436 HydrophobicContact CD1-CD1 3.8Å; L432-I436 HydrophobicContact CD1-CG1 4.21Å; L432-I436 HydrophobicContact CD1-CG2 4.45Å; L432-I436 HydrophobicContact CD2-CD1 4.44Å; L432-I436 HydrophobicContact CG-CD1 3.87Å; L432-I436 HydrophobicContact CG-CG1 4.27Å; L432-I436 WeakPolarHBondContact O-CG1 3.24Å; L432-I436 PolarHBondContact O-N 3.11Å; L432-L441 HydrophobicContact CD2-CD1 3.56Å; L432-L441 HydrophobicContact CG-CD1 4.07Å; L432-I444 HydrophobicContact CD2-CD1 4.33Å; L432-L468 HydrophobicContact CD1-CD2 4.18Å; L432-L468 HydrophobicContact CD2-CD2 4.02Å
433	V	95.8	Very high	93.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-32.5	179.8	82.1	0	0	0	0	111.4	W330 F421 Y424 L425 Y429 A430 C435 G437 V438 L441	W330-V433 WeakPolarHBondContact CH2-O 3.28Å; F421-V433 HydrophobicContact CD2-CG2 3.93Å; F421-V433 HydrophobicContact CE2-CG1 4.46Å; F421-V433 HydrophobicContact CE2-CG2 4.1Å; Y424-V433 HydrophobicContact CD2-CG2 4.45Å; Y424-V433 HydrophobicContact CG-CG2 4.42Å; L425-V433 HydrophobicContact CD2-CG1 4.01Å; Y429-V433 PolarHBondContact O-N 2.93Å; A430-V433 WeakPolarHBondContact O-CG1 3.35Å; V433-C435 PolarHBondContact O-N 3.39Å; V433-G437 WeakPolarHBondContact O-CA 3.47Å; V433-G437 PolarHBondContact O-N 2.75Å; V433-V438 HydrophobicContact CG2-CG2 3.86Å; V433-L441 HydrophobicContact CB-CD2 4.19Å; V433-L441 HydrophobicContact CG2-CD2 4.23Å
434	Q	94.4	Very high	93.9	Very high	22 Å²	22	25.9 Å²	25.9	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-68.4	-14	172.9	-75.1	178.6	99.5	0	0	114.1	P329 W330 L425 A430 L432	P329-Q434 HydrophobicContact CB-CG 4.49Å; P329-Q434 HydrophobicContact CG-CB 4.22Å; P329-Q434 HydrophobicContact CG-CG 3.88Å; W330-Q434 WeakPolarHBondContact CH2-O 3.42Å; W330-Q434 VanDerWaalsContact CZ3-C 3.48Å; W330-Q434 WeakPolarHBondContact CZ3-O 3.14Å; L425-Q434 HydrophobicContact CD2-CG 3.43Å; L425-Q434 VanDerWaalsContact CD2-CG 3.43Å; A430-Q434 VanDerWaalsContact O-CB 3.31Å; A430-Q434 WeakPolarHBondContact O-CB 3.33Å; A430-Q434 WeakPolarHBondContact O-CG 3.37Å; A430-Q434 PolarHBondContact O-N 2.74Å; A430-Q434 PolarHBondContact O-NE2 3.02Å; L432-Q434 PolarHBondContact O-N 3.16Å
435	C	96.1	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-97.8	-40.9	173.9	-63.7	0	0	0	0	112.5	V171 W330 A367 L372 D431 L432 V433	V171-C435 HydrophobicContact CG1-CB 3.84Å; W330-C435 WeakPolarHBondContact CZ2-O 3.48Å; A367-C435 HydrophobicContact CB-CB 4.31Å; L372-C435 HydrophobicContact CD2-CB 4.13Å; D431-C435 PolarHBondContact O-SG 3.21Å; L432-C435 WeakPolarHBondContact O-CA 3.38Å; L432-C435 WeakPolarHBondContact O-CB 3.42Å; L432-C435 PolarHBondContact O-N 3.1Å; V433-C435 PolarHBondContact O-N 3.39Å
436	I	94.9	Very high	93.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-119.2	-13.2	-166.1	68.5	173.6	0	0	0	114.9	I409 L432 N440 L441 I444 I1184	I409-I436 HydrophobicContact CB-CG2 4.38Å; I409-I436 HydrophobicContact CD1-CG2 3.67Å; I409-I436 HydrophobicContact CG1-CG2 3.85Å; L432-I436 HydrophobicContact CD1-CD1 3.8Å; L432-I436 HydrophobicContact CD1-CG1 4.21Å; L432-I436 HydrophobicContact CD1-CG2 4.45Å; L432-I436 HydrophobicContact CD2-CD1 4.44Å; L432-I436 HydrophobicContact CG-CD1 3.87Å; L432-I436 HydrophobicContact CG-CG1 4.27Å; L432-I436 WeakPolarHBondContact O-CG1 3.24Å; L432-I436 PolarHBondContact O-N 3.11Å; I436-N440 HydrophobicContact CB-CB 3.94Å; I436-N440 HydrophobicContact CD1-CB 3.96Å; I436-N440 HydrophobicContact CG1-CB 4.02Å; I436-N440 WeakPolarHBondContact O-CB 3.35Å; I436-N440 PolarHBondContact O-ND2 2.86Å; I436-L441 HydrophobicContact CD1-CB 4.34Å; I436-I444 HydrophobicContact CD1-CD1 3.35Å; I436-I1184 HydrophobicContact CB-CD1 4.19Å; I436-I1184 HydrophobicContact CD1-CD1 4.22Å; I436-I1184 HydrophobicContact CG2-CD1 3.89Å
437	G	93.9	Very high	94	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	11%	0.106	C	C	.	.			trans	74.2	166.6	-174.3	0	0	0	0	0	114.5	V433 S439 N440 L441	V433-G437 WeakPolarHBondContact O-CA 3.47Å; V433-G437 PolarHBondContact O-N 2.75Å; G437-S439 PolarHBondContact O-N 3.31Å; G437-N440 PolarHBondContact O-N 3.49Å; G437-L441 PolarHBondContact O-N 2.91Å; G437-L441 VanDerWaalsContact O-N 3.12Å
438	V	93.3	Very high	94	Very high	14 Å²	14	19.5 Å²	19.5	9%	0.085	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-171.5	-179.8	0	0	0	0	113.3	E420 F421 Y424 V433 N440 L441 Q442	E420-V438 HydrophobicContact CB-CG1 4.13Å; E420-V438 HydrophobicContact CB-CG2 4.3Å; E420-V438 WeakPolarHBondContact OE2-CG1 3.37Å; F421-V438 HydrophobicContact CB-CG2 3.77Å; F421-V438 HydrophobicContact CD2-CG2 4.02Å; F421-V438 HydrophobicContact CG-CG2 4.38Å; Y424-V438 HydrophobicContact CD2-CG1 4.22Å; Y424-V438 HydrophobicContact CD2-CG2 4.01Å; Y424-V438 HydrophobicContact CE2-CG1 3.86Å; Y424-V438 HydrophobicContact CE2-CG2 4.48Å; V433-V438 HydrophobicContact CG2-CG2 3.86Å; V438-N440 VanDerWaalsContact C-N 3.28Å; V438-N440 PolarHBondContact O-N 3.5Å; V438-L441 WeakPolarHBondContact O-CB 3.39Å; V438-L441 PolarHBondContact O-N 3.36Å; V438-L441 VanDerWaalsContact O-N 3.15Å; V438-Q442 HydrophobicContact CG1-CG 4.29Å; V438-Q442 WeakPolarHBondContact O-CG 3.49Å; V438-Q442 PolarHBondContact O-N 3.31Å
439	S	91.1	Very high	94	Very high	76 Å²	76	18 Å²	18	53%	0.531	10%	0.096	S	C	.	.	H	α-helix	trans	-59.6	-40.3	-177.2	178.4	0	0	0	0	111.9	G437 K443	G437-S439 PolarHBondContact O-N 3.31Å; S439-K443 WeakPolarHBondContact O-CG 3.41Å; S439-K443 PolarHBondContact O-N 3.17Å
440	N	92.6	Very high	94.1	Very high	17 Å²	17	17 Å²	17	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-74.7	-36.1	178	-69.9	-32.8	0	0	0	111.9	I436 G437 V438 Q442 K443 I444 I1184	I436-N440 HydrophobicContact CB-CB 3.94Å; I436-N440 HydrophobicContact CD1-CB 3.96Å; I436-N440 HydrophobicContact CG1-CB 4.02Å; I436-N440 WeakPolarHBondContact O-CB 3.35Å; I436-N440 PolarHBondContact O-ND2 2.86Å; G437-N440 PolarHBondContact O-N 3.49Å; V438-N440 VanDerWaalsContact C-N 3.28Å; V438-N440 PolarHBondContact O-N 3.5Å; N440-Q442 VanDerWaalsContact C-N 3.33Å; N440-Q442 PolarHBondContact O-N 2.95Å; N440-K443 WeakPolarHBondContact O-CB 3.3Å; N440-K443 PolarHBondContact O-N 3.17Å; N440-K443 PolarHBondContact OD1-NZ 2.82Å; N440-I444 WeakPolarHBondContact O-CG1 3.5Å; N440-I444 PolarHBondContact O-N 2.85Å; N440-I444 VanDerWaalsContact O-N 3.17Å; N440-I1184 HydrophobicContact CB-CD1 4.16Å; N440-I1184 HydrophobicContact CB-CG1 4Å
441	L	93.9	Very high	94.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59	-43.6	172.4	-177.4	62.4	0	0	0	111.8	Y424 Y429 L432 V433 I436 G437 V438 K443 I444 H445	Y424-L441 HydrophobicContact CD1-CD2 3.61Å; Y424-L441 HydrophobicContact CD2-CD2 4.14Å; Y424-L441 HydrophobicContact CE1-CD2 3.59Å; Y424-L441 HydrophobicContact CE2-CD2 4.11Å; Y424-L441 HydrophobicContact CG-CD2 3.91Å; Y429-L441 HydrophobicContact CG-CD1 4.46Å; Y429-L441 HydrophobicContact CG-CD2 4.5Å; L432-L441 HydrophobicContact CD2-CD1 3.56Å; L432-L441 HydrophobicContact CG-CD1 4.07Å; V433-L441 HydrophobicContact CB-CD2 4.19Å; V433-L441 HydrophobicContact CG2-CD2 4.23Å; I436-L441 HydrophobicContact CD1-CB 4.34Å; G437-L441 PolarHBondContact O-N 2.91Å; G437-L441 VanDerWaalsContact O-N 3.12Å; V438-L441 WeakPolarHBondContact O-CB 3.39Å; V438-L441 PolarHBondContact O-N 3.36Å; V438-L441 VanDerWaalsContact O-N 3.15Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 3.33Å; L441-I444 WeakPolarHBondContact O-CB 3.39Å; L441-I444 PolarHBondContact O-N 2.91Å; L441-I444 VanDerWaalsContact O-N 3.09Å; L441-H445 WeakPolarHBondContact CD1-NE2 2.8Å; L441-H445 PolarHBondContact O-CD2 2.68Å; L441-H445 PolarHBondContact O-N 3.11Å
442	Q	92	Very high	94.3	Very high	76 Å²	76	16.3 Å²	16.3	36%	0.355	9%	0.088	S	C	.	.	H	α-helix	trans	-62.1	-36.9	175.8	-72.6	171.6	-11.5	0	0	112.4	E420 V438 N440 I444 H445 N446	E420-Q442 PolarHBondContact OE2-NE2 3.48Å; V438-Q442 HydrophobicContact CG1-CG 4.29Å; V438-Q442 WeakPolarHBondContact O-CG 3.49Å; V438-Q442 PolarHBondContact O-N 3.31Å; N440-Q442 VanDerWaalsContact C-N 3.33Å; N440-Q442 PolarHBondContact O-N 2.95Å; Q442-I444 VanDerWaalsContact C-N 3.29Å; Q442-I444 PolarHBondContact O-N 2.99Å; Q442-H445 PolarHBondContact O-N 2.98Å; Q442-N446 PolarHBondContact O-N 3.37Å; Q442-N446 PolarHBondContact O-ND2 2.88Å
443	K	91.3	Very high	94.4	Very high	58 Å²	58	16.2 Å²	16.2	25%	0.252	9%	0.089	S	C	.	.	H	α-helix	trans	-60.9	-40	173.4	-65.9	171	-170.5	164.5	0	111.4	S439 N440 L441 L447 V1183	S439-K443 WeakPolarHBondContact O-CG 3.41Å; S439-K443 PolarHBondContact O-N 3.17Å; N440-K443 WeakPolarHBondContact O-CB 3.3Å; N440-K443 PolarHBondContact O-N 3.17Å; N440-K443 PolarHBondContact OD1-NZ 2.82Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 3.33Å; K443-L447 PolarHBondContact O-N 3.09Å; K443-V1183 HydrophobicContact CB-CG1 3.74Å
444	I	93.8	Very high	94.4	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-66.6	-45.5	176.5	-63	169.5	0	0	0	110.6	L432 I436 N440 L441 Q442 N446 L447 L468 V470 L1180 V1183	L432-I444 HydrophobicContact CD2-CD1 4.33Å; I436-I444 HydrophobicContact CD1-CD1 3.35Å; N440-I444 WeakPolarHBondContact O-CG1 3.5Å; N440-I444 PolarHBondContact O-N 2.85Å; N440-I444 VanDerWaalsContact O-N 3.17Å; L441-I444 WeakPolarHBondContact O-CB 3.39Å; L441-I444 PolarHBondContact O-N 2.91Å; L441-I444 VanDerWaalsContact O-N 3.09Å; Q442-I444 VanDerWaalsContact C-N 3.29Å; Q442-I444 PolarHBondContact O-N 2.99Å; I444-N446 VanDerWaalsContact C-N 3.26Å; I444-N446 PolarHBondContact O-N 3.16Å; I444-L447 VanDerWaalsContact O-CB 3.26Å; I444-L447 WeakPolarHBondContact O-CB 3.49Å; I444-L447 PolarHBondContact O-N 3.01Å; I444-L447 VanDerWaalsContact O-N 3.11Å; I444-L468 HydrophobicContact CG2-CB 4.38Å; I444-L468 WeakPolarHBondContact CG2-O 3.2Å; I444-V470 HydrophobicContact CG2-CG2 3.67Å; I444-L1180 HydrophobicContact CD1-CD2 3.41Å; I444-L1180 VanDerWaalsContact CD1-CD2 3.41Å; I444-L1180 HydrophobicContact CG1-CD2 4.16Å; I444-V1183 HydrophobicContact CG1-CG1 4.18Å
445	H	94	Very high	94.4	Very high	15 Å²	15	15.7 Å²	15.7	7%	0.069	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-32.9	178.7	-69.1	-171.5	0	0	0	113.3	Y429 L441 Q442 G469 A471 T472 A473	Y429-H445 AromaticContact CD2-CE1 3.93Å; Y429-H445 AromaticContact CD2-NE2 3.89Å; Y429-H445 AromaticContact CE2-CE1 3.76Å; Y429-H445 AromaticContact CE2-NE2 3.73Å; Y429-H445 AromaticContact CZ-NE2 3.87Å; L441-H445 WeakPolarHBondContact CD1-NE2 2.8Å; L441-H445 PolarHBondContact O-CD2 2.68Å; L441-H445 PolarHBondContact O-N 3.11Å; Q442-H445 PolarHBondContact O-N 2.98Å; H445-G469 WeakPolarHBondContact CA-O 3.35Å; H445-G469 PolarHBondContact CD2-O 3.1Å; H445-A471 WeakPolarHBondContact O-CA 3.34Å; H445-A471 PolarHBondContact O-N 2.87Å; H445-T472 PolarHBondContact CD2-OG1 3.35Å; H445-T472 VanDerWaalsContact CG-OG1 3.26Å; H445-T472 PolarHBondContact O-N 3.01Å; H445-T472 VanDerWaalsContact O-N 3.14Å; H445-A473 HydrophobicContact CB-CB 4.19Å; H445-A473 PolarHBondContact O-N 3.3Å; H445-A473 VanDerWaalsContact O-N 3.13Å
446	N	91.5	Very high	94.4	Very high	33 Å²	33	16.3 Å²	16.3	18%	0.176	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3	178.3	-71.3	-75.4	0	0	0	113.9	Q442 I444 A473 N667	Q442-N446 PolarHBondContact O-N 3.37Å; Q442-N446 PolarHBondContact O-ND2 2.88Å; I444-N446 VanDerWaalsContact C-N 3.26Å; I444-N446 PolarHBondContact O-N 3.16Å; N446-A473 VanDerWaalsContact OD1-CB 3.27Å; N446-A473 WeakPolarHBondContact OD1-CB 3.35Å; N446-N667 PolarHBondContact OD1-ND2 2.93Å
447	L	92.7	Very high	94.6	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.037	10%	0.097	C	C	.	.			trans	-77.8	129.5	-178.2	-176.7	68	0	0	0	111.5	K443 I444 V449 V470 A471 I685 L1179 V1183	K443-L447 PolarHBondContact O-N 3.09Å; I444-L447 VanDerWaalsContact O-CB 3.26Å; I444-L447 WeakPolarHBondContact O-CB 3.49Å; I444-L447 PolarHBondContact O-N 3.01Å; I444-L447 VanDerWaalsContact O-N 3.11Å; L447-V449 HydrophobicContact CD2-CG2 4.04Å; L447-V449 HydrophobicContact CG-CG2 4.14Å; L447-V470 HydrophobicContact CB-CG1 4.27Å; L447-V470 HydrophobicContact CD2-CG1 4.28Å; L447-V470 HydrophobicContact CG-CG1 4.48Å; L447-A471 PolarHBondContact O-N 2.95Å; L447-I685 HydrophobicContact CD1-CG2 4.49Å; L447-I685 HydrophobicContact CD2-CG2 4.35Å; L447-L1179 HydrophobicContact CD2-CD1 3.81Å; L447-L1179 HydrophobicContact CD2-CD2 4.49Å; L447-L1179 HydrophobicContact CD2-CG 4.33Å; L447-V1183 HydrophobicContact CD1-CG2 3.96Å; L447-V1183 HydrophobicContact CD2-CG2 3.57Å; L447-V1183 HydrophobicContact CG-CG2 4.33Å
448	S	94.1	Very high	94.7	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.021	10%	0.096	C	C	.	.			trans	-95.5	138.1	167.2	-62.1	0	0	0	0	110.9	P591 N592 A662 K664 G684 I685	S448-P591 WeakPolarHBondContact OG-CA 3.36Å; S448-N592 WeakPolarHBondContact CA-O 3.46Å; S448-N592 PolarHBondContact OG-N 2.86Å; S448-A662 WeakPolarHBondContact CB-O 3.43Å; S448-K664 WeakPolarHBondContact CB-O 3.4Å; S448-K664 PolarHBondContact OG-O 3.46Å; S448-G684 VanDerWaalsContact O-CA 3.31Å; S448-G684 WeakPolarHBondContact O-CA 3.39Å; S448-I685 PolarHBondContact O-N 2.68Å; S448-I685 VanDerWaalsContact O-N 3.12Å
449	V	96.3	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.1	-177.7	178	0	0	0	0	109.8	L447 L465 V470 N592 I593 T594 I685 L687	L447-V449 HydrophobicContact CD2-CG2 4.04Å; L447-V449 HydrophobicContact CG-CG2 4.14Å; V449-L465 HydrophobicContact CG1-CD1 4.34Å; V449-L465 HydrophobicContact CG2-CD2 4.49Å; V449-V470 HydrophobicContact CG2-CG1 3.77Å; V449-N592 PolarHBondContact N-O 3.3Å; V449-I593 HydrophobicContact CB-CG1 4.24Å; V449-I593 HydrophobicContact CB-CG2 4.35Å; V449-I593 CarbonylContact O-C 3.5Å; V449-I593 WeakPolarHBondContact O-CA 3.45Å; V449-T594 PolarHBondContact O-N 3.07Å; V449-I685 WeakPolarHBondContact CA-O 3.41Å; V449-I685 HydrophobicContact CG2-CG2 3.94Å; V449-L687 HydrophobicContact CG1-CB 4.49Å; V449-L687 HydrophobicContact CG1-CD1 3.68Å; V449-L687 HydrophobicContact CG1-CG 3.82Å
450	F	97.3	Very high	95.3	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.9	167.1	-177.9	-119	0	0	0	109.6	V452 T594 T596 F645 F654 F658 L659 A662 T663 I685 V686 L687	F450-V452 HydrophobicContact CD1-CG2 3.97Å; F450-V452 HydrophobicContact CE1-CG2 3.44Å; F450-V452 VanDerWaalsContact CE1-CG2 3.44Å; F450-V452 HydrophobicContact CZ-CG2 3.94Å; F450-T594 HydrophobicContact CD2-CG2 4.13Å; F450-T594 HydrophobicContact CE2-CG2 4.22Å; F450-T596 HydrophobicContact CZ-CG2 4.23Å; F450-F645 AromaticContact CE1-CD2 4Å; F450-F645 HydrophobicContact CE1-CD2 4Å; F450-F645 AromaticContact CE1-CE2 3.7Å; F450-F645 HydrophobicContact CE1-CE2 3.7Å; F450-F645 HydrophobicContact CE1-CZ 4.49Å; F450-F645 AromaticContact CZ-CD2 3.91Å; F450-F645 HydrophobicContact CZ-CD2 3.91Å; F450-F645 AromaticContact CZ-CE2 3.96Å; F450-F645 HydrophobicContact CZ-CE2 3.96Å; F450-F654 HydrophobicContact CE2-CD1 4.43Å; F450-F654 HydrophobicContact CE2-CE1 4.24Å; F450-F654 AromaticContact CZ-CD1 3.91Å; F450-F654 HydrophobicContact CZ-CD1 3.91Å; F450-F654 AromaticContact CZ-CE1 3.94Å; F450-F654 HydrophobicContact CZ-CE1 3.94Å; F450-F658 HydrophobicContact CD2-CE1 4.31Å; F450-F658 AromaticContact CE2-CE1 3.77Å; F450-F658 HydrophobicContact CE2-CE1 3.77Å; F450-F658 HydrophobicContact CE2-CZ 4.23Å; F450-F658 HydrophobicContact CZ-CE1 4.19Å; F450-L659 HydrophobicContact CD1-CD2 3.78Å; F450-L659 HydrophobicContact CE1-CD2 3.4Å; F450-L659 HydrophobicContact CE2-CD2 4.46Å; F450-L659 HydrophobicContact CG-CD2 4.46Å; F450-L659 HydrophobicContact CZ-CD2 3.79Å; F450-A662 HydrophobicContact CB-CB 4.39Å; F450-A662 HydrophobicContact CD2-CB 4.29Å; F450-T663 HydrophobicContact CB-CG2 4.07Å; F450-I685 PolarHBondContact N-O 3.17Å; F450-V686 HydrophobicContact CB-CG2 4.48Å; F450-V686 HydrophobicContact CD1-CG1 4.2Å; F450-V686 HydrophobicContact CD1-CG2 4.43Å; F450-V686 CarbonylContact O-C 3.56Å; F450-V686 VanDerWaalsContact O-CA 3.26Å; F450-V686 WeakPolarHBondContact O-CA 3.47Å; F450-L687 PolarHBondContact O-N 3.42Å
451	M	98.2	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	-177.6	-169.8	175.4	75.4	0	0	110.9	G453 L461 L462 T594 V595 T596 L687	M451-G453 WeakPolarHBondContact CE-O 3.37Å; M451-L461 HydrophobicContact SD-CB 3.86Å; M451-L461 HydrophobicContact SD-CD1 3.96Å; M451-L462 HydrophobicContact CE-CD1 3.76Å; M451-L462 HydrophobicContact CE-CD2 4.2Å; M451-L462 HydrophobicContact CE-CG 3.6Å; M451-L462 HydrophobicContact SD-CG 4.45Å; M451-T594 PolarHBondContact N-O 3.08Å; M451-V595 HydrophobicContact CB-CG2 4.38Å; M451-V595 HydrophobicContact CE-CB 4.18Å; M451-V595 HydrophobicContact CE-CG1 3.36Å; M451-V595 HydrophobicContact CE-CG2 3.79Å; M451-V595 WeakPolarHBondContact O-CA 3.25Å; M451-T596 PolarHBondContact O-N 2.91Å; M451-L687 WeakPolarHBondContact CA-O 3.31Å; M451-L687 HydrophobicContact CG-CB 4.3Å
452	V	98.1	Very high	95.8	Very high	5 Å²	5	11.4 Å²	11.4	3%	0.03	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.5	178.1	-166.4	0	0	0	0	109.8	F450 T596 F645 L687 A689 L690 L699	F450-V452 HydrophobicContact CD1-CG2 3.97Å; F450-V452 HydrophobicContact CE1-CG2 3.44Å; F450-V452 VanDerWaalsContact CE1-CG2 3.44Å; F450-V452 HydrophobicContact CZ-CG2 3.94Å; V452-T596 HydrophobicContact CB-CG2 4.49Å; V452-T596 HydrophobicContact CG1-CG2 3.99Å; V452-T596 HydrophobicContact CG2-CG2 4.49Å; V452-F645 HydrophobicContact CG1-CB 3.76Å; V452-F645 HydrophobicContact CG1-CG 4.13Å; V452-L687 PolarHBondContact N-O 3.42Å; V452-A689 CarbonylContact O-C 3.56Å; V452-A689 PolarHBondContact O-N 2.97Å; V452-L690 HydrophobicContact CB-CD2 4.37Å; V452-L690 HydrophobicContact CG1-CD2 3.81Å; V452-L699 HydrophobicContact CB-CD2 4.05Å; V452-L699 HydrophobicContact CG2-CD1 3.79Å; V452-L699 HydrophobicContact CG2-CD2 3.96Å
453	G	96.3	Very high	96.1	Very high	8 Å²	8	7.8 Å²	7.8	8%	0.082	5%	0.045	C	C	.	.			trans	99.7	136.7	-172.1	0	0	0	0	0	112.5	M451 T596	M451-G453 WeakPolarHBondContact CE-O 3.37Å; G453-T596 WeakPolarHBondContact CA-O 3.39Å; G453-T596 PolarHBondContact N-O 3.01Å
454	C	96.2	Very high	96.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.033	C	C	.	.			trans	-132.8	31.5	179.9	-161.5	0	0	0	0	111.5	V595 D597 K621 A625	C454-V595 HydrophobicContact CB-CG1 3.81Å; C454-D597 VanDerWaalsContact CA-OD2 3.31Å; C454-D597 WeakPolarHBondContact CA-OD2 3.34Å; C454-D597 HydrophobicContact CB-CB 3.58Å; C454-D597 PolarHBondContact N-OD2 2.85Å; C454-K621 HydrophobicContact CB-CB 4.43Å; C454-A625 WeakPolarHBondContact SG-CB 3.5Å
455	G	94.9	Very high	96.6	Very high	11 Å²	11	4.9 Å²	4.9	11%	0.113	3%	0.032	C	C	.	.	S	Bend	trans	-79.4	-141.6	172.5	0	0	0	0	0	113	G458 C459 D597	G455-G458 PolarHBondContact O-N 3.3Å; G455-C459 PolarHBondContact O-N 3.31Å; G455-C459 PolarHBondContact O-SG 3.09Å; G455-D597 PolarHBondContact N-OD2 3.05Å
456	A	96.7	Very high	96.8	Very high	13 Å²	13	4.2 Å²	4.2	11%	0.107	3%	0.029	C	C	.	.	H	α-helix	trans	-57.7	-56.2	-175.5	0	0	0	0	0	112.3	G458 E460 R608 Q609 T1168	A456-G458 VanDerWaalsContact C-N 3.34Å; A456-G458 PolarHBondContact O-N 3.43Å; A456-E460 PolarHBondContact O-N 3.04Å; A456-R608 HydrophobicContact CB-CB 4.4Å; A456-R608 HydrophobicContact CB-CG 3.8Å; A456-Q609 HydrophobicContact CB-CG 4.27Å; A456-T1168 HydrophobicContact CB-CG2 3.66Å; A456-T1168 VanDerWaalsContact O-CG2 3.28Å; A456-T1168 WeakPolarHBondContact O-CG2 3.15Å
457	I	97.6	Very high	97.1	Very high	7 Å²	7	2.8 Å²	2.8	4%	0.036	2%	0.022	C	C	.	.	H	α-helix	trans	-63.4	-41.9	178.6	-62.4	173.7	0	0	0	110.3	C459 E460 L461 A689 T715 T1168 V1171	I457-C459 PolarHBondContact O-N 3.33Å; I457-E460 PolarHBondContact O-N 2.7Å; I457-L461 HydrophobicContact CG2-CD1 3.74Å; I457-L461 HydrophobicContact CG2-CG 3.89Å; I457-L461 WeakPolarHBondContact O-CB 3.47Å; I457-L461 WeakPolarHBondContact O-CG 3.35Å; I457-L461 PolarHBondContact O-N 3.27Å; I457-A689 HydrophobicContact CB-CB 3.97Å; I457-A689 HydrophobicContact CG2-CB 3.93Å; I457-T715 HydrophobicContact CD1-CG2 4.02Å; I457-T715 HydrophobicContact CG1-CG2 4.26Å; I457-T1168 HydrophobicContact CB-CG2 4.48Å; I457-T1168 HydrophobicContact CG1-CG2 4.02Å; I457-V1171 HydrophobicContact CD1-CG1 4.36Å
458	G	97.8	Very high	97.3	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.3	-40.3	-177.6	0	0	0	0	0	113.6	G455 A456 L461 L462	G455-G458 PolarHBondContact O-N 3.3Å; A456-G458 VanDerWaalsContact C-N 3.34Å; A456-G458 PolarHBondContact O-N 3.43Å; G458-L461 PolarHBondContact O-N 2.81Å; G458-L462 WeakPolarHBondContact O-CB 3.41Å; G458-L462 PolarHBondContact O-N 3.49Å
459	C	98.2	Very high	97.4	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.2	-44.5	173.6	-75.3	0	0	0	0	112.5	G455 I457 K463 L611 F612	G455-C459 PolarHBondContact O-N 3.31Å; G455-C459 PolarHBondContact O-SG 3.09Å; I457-C459 PolarHBondContact O-N 3.33Å; C459-K463 PolarHBondContact O-N 2.74Å; C459-K463 VanDerWaalsContact O-N 3.13Å; C459-L611 HydrophobicContact CB-CB 4.44Å; C459-L611 HydrophobicContact CB-CD1 3.92Å; C459-L611 HydrophobicContact CB-CG 3.94Å; C459-F612 VanDerWaalsContact SG-CZ 3.53Å
460	E	98.5	Very high	97.4	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-67.4	-39.8	177.6	-70	-65.9	160.1	0	0	112.4	K44 A456 I457 K463 N464 F610 T1168 A1172	K44-E460 WeakPolarHBondContact CE-OE1 3.47Å; K44-E460 VanDerWaalsContact NZ-CD 3.27Å; K44-E460 IonicContact NZ-OE1 2.64Å; K44-E460 PolarHBondContact NZ-OE1 2.84Å; K44-E460 IonicContact NZ-OE2 2.83Å; K44-E460 PolarHBondContact NZ-OE2 3.12Å; A456-E460 PolarHBondContact O-N 3.04Å; I457-E460 PolarHBondContact O-N 2.7Å; E460-K463 WeakPolarHBondContact O-CE 3.36Å; E460-K463 PolarHBondContact O-N 3.29Å; E460-K463 IonicContact OE2-NZ 2.91Å; E460-K463 PolarHBondContact OE2-NZ 2.83Å; E460-N464 PolarHBondContact O-N 3.22Å; E460-N464 PolarHBondContact O-ND2 2.76Å; E460-F610 WeakPolarHBondContact OE1-CD1 3.22Å; E460-F610 WeakPolarHBondContact OE1-CE1 3.45Å; E460-T1168 HydrophobicContact CG-CG2 3.86Å; E460-A1172 HydrophobicContact CB-CB 3.35Å; E460-A1172 HydrophobicContact CG-CB 4.41Å
461	L	98.4	Very high	97.3	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.1	-50.1	174.4	-72.7	-179.9	0	0	0	110.9	M451 I457 G458 K463 N464 L465 L687 A689 A1172 V1175	M451-L461 HydrophobicContact SD-CB 3.86Å; M451-L461 HydrophobicContact SD-CD1 3.96Å; I457-L461 HydrophobicContact CG2-CD1 3.74Å; I457-L461 HydrophobicContact CG2-CG 3.89Å; I457-L461 WeakPolarHBondContact O-CB 3.47Å; I457-L461 WeakPolarHBondContact O-CG 3.35Å; I457-L461 PolarHBondContact O-N 3.27Å; G458-L461 PolarHBondContact O-N 2.81Å; L461-K463 VanDerWaalsContact C-N 3.3Å; L461-K463 PolarHBondContact O-N 2.9Å; L461-N464 PolarHBondContact O-N 3.09Å; L461-N464 VanDerWaalsContact O-N 3.09Å; L461-L465 WeakPolarHBondContact O-CB 3.36Å; L461-L465 VanDerWaalsContact O-CG 3.24Å; L461-L465 WeakPolarHBondContact O-CG 3.35Å; L461-L465 PolarHBondContact O-N 3.14Å; L461-L687 HydrophobicContact CD1-CB 4.32Å; L461-L687 HydrophobicContact CD1-CD1 4.39Å; L461-A689 HydrophobicContact CD1-CB 4.33Å; L461-A1172 HydrophobicContact CD2-CB 3.97Å; L461-A1172 HydrophobicContact CG-CB 4.26Å; L461-V1175 HydrophobicContact CD2-CB 3.82Å; L461-V1175 HydrophobicContact CD2-CG1 3.56Å
462	L	98.1	Very high	97.1	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.8	-43	178.5	-81.5	170.6	0	0	0	112.5	M451 G458 L465 A466 I593 V595 L611 A625 V629 V638	M451-L462 HydrophobicContact CE-CD1 3.76Å; M451-L462 HydrophobicContact CE-CD2 4.2Å; M451-L462 HydrophobicContact CE-CG 3.6Å; M451-L462 HydrophobicContact SD-CG 4.45Å; G458-L462 WeakPolarHBondContact O-CB 3.41Å; G458-L462 PolarHBondContact O-N 3.49Å; L462-L465 PolarHBondContact O-N 3.17Å; L462-A466 WeakPolarHBondContact O-CB 3.42Å; L462-A466 PolarHBondContact O-N 3.39Å; L462-I593 HydrophobicContact CD2-CG2 3.97Å; L462-V595 HydrophobicContact CD1-CG2 4.21Å; L462-V595 HydrophobicContact CD2-CG2 3.83Å; L462-V595 HydrophobicContact CG-CG2 4.42Å; L462-L611 HydrophobicContact CB-CD1 4.38Å; L462-A625 HydrophobicContact CD1-CB 3.77Å; L462-V629 HydrophobicContact CB-CG2 4.26Å; L462-V629 WeakPolarHBondContact O-CG2 3.41Å; L462-V638 HydrophobicContact CD2-CG1 4.48Å
463	K	98.2	Very high	96.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-57.9	-50.6	173.2	172.7	-136.1	63.9	-172.6	0	111.2	E41 F71 C459 E460 L461 L465 A466 L467 F610 I632	E41-K463 WeakPolarHBondContact OE1-CD 3.34Å; E41-K463 WeakPolarHBondContact OE1-CE 3.32Å; E41-K463 IonicContact OE1-NZ 2.69Å; E41-K463 PolarHBondContact OE1-NZ 2.94Å; E41-K463 IonicContact OE2-NZ 3.98Å; F71-K463 HydrophobicContact CB-CG 4.1Å; F71-K463 HydrophobicContact CD1-CD 3.71Å; F71-K463 HydrophobicContact CD1-CG 4.12Å; F71-K463 HydrophobicContact CE1-CD 4.14Å; F71-K463 HydrophobicContact CG-CD 4.26Å; F71-K463 HydrophobicContact CG-CG 4.21Å; C459-K463 PolarHBondContact O-N 2.74Å; C459-K463 VanDerWaalsContact O-N 3.13Å; E460-K463 WeakPolarHBondContact O-CE 3.36Å; E460-K463 PolarHBondContact O-N 3.29Å; E460-K463 IonicContact OE2-NZ 2.91Å; E460-K463 PolarHBondContact OE2-NZ 2.83Å; L461-K463 VanDerWaalsContact C-N 3.3Å; L461-K463 PolarHBondContact O-N 2.9Å; K463-L465 PolarHBondContact O-N 3.12Å; K463-A466 WeakPolarHBondContact O-CB 3.36Å; K463-A466 PolarHBondContact O-N 2.99Å; K463-L467 HydrophobicContact CD-CD1 4.41Å; K463-L467 HydrophobicContact CG-CD1 4.13Å; K463-L467 VanDerWaalsContact O-CG 3.31Å; K463-L467 WeakPolarHBondContact O-CG 3.32Å; K463-L467 PolarHBondContact O-N 2.99Å; K463-F610 HydrophobicContact CB-CE1 4.3Å; K463-F610 HydrophobicContact CB-CZ 3.85Å; K463-F610 HydrophobicContact CD-CE1 4.19Å; K463-F610 HydrophobicContact CD-CZ 3.74Å; K463-F610 HydrophobicContact CG-CZ 3.82Å; K463-I632 HydrophobicContact CB-CD1 4.49Å; K463-I632 HydrophobicContact CG-CD1 4.38Å
464	N	98.3	Very high	95	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.1	-42	179.5	-76.6	-40.1	0	0	0	112.5	E460 L461 A466 L467 L468 C1176	E460-N464 PolarHBondContact O-N 3.22Å; E460-N464 PolarHBondContact O-ND2 2.76Å; L461-N464 PolarHBondContact O-N 3.09Å; L461-N464 VanDerWaalsContact O-N 3.09Å; N464-A466 VanDerWaalsContact C-N 3.3Å; N464-A466 PolarHBondContact O-N 3.05Å; N464-L467 PolarHBondContact O-N 2.99Å; N464-L468 WeakPolarHBondContact O-CB 3.4Å; N464-L468 VanDerWaalsContact O-CG 3.29Å; N464-L468 WeakPolarHBondContact O-CG 3.4Å; N464-L468 PolarHBondContact O-N 3.01Å; N464-C1176 HydrophobicContact CB-CB 4.4Å; N464-C1176 WeakPolarHBondContact CB-SG 3.27Å
465	L	98.2	Very high	93	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-39.3	176.8	-67.3	173.5	0	0	0	111.6	V449 L461 L462 K463 L468 G469 V470 I593 L687 L1179	V449-L465 HydrophobicContact CG1-CD1 4.34Å; V449-L465 HydrophobicContact CG2-CD2 4.49Å; L461-L465 WeakPolarHBondContact O-CB 3.36Å; L461-L465 VanDerWaalsContact O-CG 3.24Å; L461-L465 WeakPolarHBondContact O-CG 3.35Å; L461-L465 PolarHBondContact O-N 3.14Å; L462-L465 PolarHBondContact O-N 3.17Å; K463-L465 PolarHBondContact O-N 3.12Å; L465-L468 PolarHBondContact O-N 2.99Å; L465-G469 PolarHBondContact O-N 2.99Å; L465-G469 VanDerWaalsContact O-N 3.15Å; L465-V470 HydrophobicContact CB-CB 4.24Å; L465-V470 HydrophobicContact CB-CG2 4.42Å; L465-V470 HydrophobicContact CD2-CB 4.18Å; L465-V470 HydrophobicContact CD2-CG1 4.28Å; L465-V470 HydrophobicContact CD2-CG2 3.79Å; L465-V470 PolarHBondContact O-N 3.44Å; L465-I593 HydrophobicContact CB-CD1 3.97Å; L465-I593 HydrophobicContact CD1-CD1 4.17Å; L465-I593 HydrophobicContact CD1-CG2 4.23Å; L465-L687 HydrophobicContact CD1-CD1 4.22Å; L465-L687 HydrophobicContact CD2-CD1 4.38Å; L465-L1179 HydrophobicContact CD2-CD2 3.54Å
466	A	97.7	Very high	90	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.9	-43	176.5	0	0	0	0	0	113	L462 K463 N464 L468 G469 V629 I632 N633 I636	L462-A466 WeakPolarHBondContact O-CB 3.42Å; L462-A466 PolarHBondContact O-N 3.39Å; K463-A466 WeakPolarHBondContact O-CB 3.36Å; K463-A466 PolarHBondContact O-N 2.99Å; N464-A466 VanDerWaalsContact C-N 3.3Å; N464-A466 PolarHBondContact O-N 3.05Å; A466-L468 VanDerWaalsContact C-N 3.33Å; A466-G469 PolarHBondContact O-N 2.69Å; A466-V629 HydrophobicContact CB-CG2 3.39Å; A466-I632 HydrophobicContact CB-CG2 4.27Å; A466-N633 HydrophobicContact CB-CB 4.08Å; A466-N633 PolarHBondContact O-ND2 2.89Å; A466-I636 HydrophobicContact CB-CD1 3.66Å
467	L	97.7	Very high	87.1	Confident	4 Å²	4	21 Å²	21	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-36.1	176.7	-68.9	176.4	0	0	0	111.7	G68 F71 A373 K463 N464 G469 I632	G68-L467 WeakPolarHBondContact O-CB 3.46Å; F71-L467 HydrophobicContact CB-CD2 4.5Å; A373-L467 HydrophobicContact CB-CB 3.69Å; A373-L467 HydrophobicContact CB-CD1 3.82Å; A373-L467 HydrophobicContact CB-CG 4.41Å; K463-L467 HydrophobicContact CD-CD1 4.41Å; K463-L467 HydrophobicContact CG-CD1 4.13Å; K463-L467 VanDerWaalsContact O-CG 3.31Å; K463-L467 WeakPolarHBondContact O-CG 3.32Å; K463-L467 PolarHBondContact O-N 2.99Å; N464-L467 PolarHBondContact O-N 2.99Å; L467-G469 VanDerWaalsContact C-N 3.29Å; L467-G469 PolarHBondContact O-N 2.66Å; L467-I632 HydrophobicContact CD2-CG2 3.94Å; L467-I632 HydrophobicContact CG-CG2 4.44Å
468	L	97.2	Very high	84	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-74.5	-12.8	174.8	-71.2	174.9	0	0	0	114.3	P374 L432 I444 N464 L465 A466 V470 C1176 L1180	P374-L468 HydrophobicContact CG-CD1 3.94Å; P374-L468 HydrophobicContact CG-CD2 4.18Å; P374-L468 HydrophobicContact CG-CG 4.34Å; L432-L468 HydrophobicContact CD1-CD2 4.18Å; L432-L468 HydrophobicContact CD2-CD2 4.02Å; I444-L468 HydrophobicContact CG2-CB 4.38Å; I444-L468 WeakPolarHBondContact CG2-O 3.2Å; N464-L468 WeakPolarHBondContact O-CB 3.4Å; N464-L468 VanDerWaalsContact O-CG 3.29Å; N464-L468 WeakPolarHBondContact O-CG 3.4Å; N464-L468 PolarHBondContact O-N 3.01Å; L465-L468 PolarHBondContact O-N 2.99Å; A466-L468 VanDerWaalsContact C-N 3.33Å; L468-V470 HydrophobicContact CB-CG2 4.21Å; L468-C1176 HydrophobicContact CD1-CB 4.32Å; L468-L1180 HydrophobicContact CD1-CD2 4.3Å; L468-L1180 HydrophobicContact CD1-CG 4.43Å; L468-L1180 HydrophobicContact CD2-CD1 4.28Å; L468-L1180 HydrophobicContact CD2-CD2 4.27Å
469	G	96.1	Very high	80.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	27.5	-177.6	0	0	0	0	0	114.3	H445 L465 A466 L467 T472	H445-G469 WeakPolarHBondContact CA-O 3.35Å; H445-G469 PolarHBondContact CD2-O 3.1Å; L465-G469 PolarHBondContact O-N 2.99Å; L465-G469 VanDerWaalsContact O-N 3.15Å; A466-G469 PolarHBondContact O-N 2.69Å; L467-G469 VanDerWaalsContact C-N 3.29Å; L467-G469 PolarHBondContact O-N 2.66Å; G469-T472 WeakPolarHBondContact O-CB 3.11Å; G469-T472 VanDerWaalsContact O-CG2 3.3Å; G469-T472 WeakPolarHBondContact O-CG2 3.49Å; G469-T472 PolarHBondContact O-OG1 2.78Å
470	V	96	Very high	78	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	138.6	176.4	175.1	0	0	0	0	110.5	I444 L447 V449 L465 L468 T472 I593	I444-V470 HydrophobicContact CG2-CG2 3.67Å; L447-V470 HydrophobicContact CB-CG1 4.27Å; L447-V470 HydrophobicContact CD2-CG1 4.28Å; L447-V470 HydrophobicContact CG-CG1 4.48Å; V449-V470 HydrophobicContact CG2-CG1 3.77Å; L465-V470 HydrophobicContact CB-CB 4.24Å; L465-V470 HydrophobicContact CB-CG2 4.42Å; L465-V470 HydrophobicContact CD2-CB 4.18Å; L465-V470 HydrophobicContact CD2-CG1 4.28Å; L465-V470 HydrophobicContact CD2-CG2 3.79Å; L465-V470 PolarHBondContact O-N 3.44Å; L468-V470 HydrophobicContact CB-CG2 4.21Å; V470-T472 PolarHBondContact O-N 3.2Å; V470-I593 HydrophobicContact CB-CD1 4.18Å; V470-I593 HydrophobicContact CG1-CD1 3.97Å; V470-I593 HydrophobicContact CG1-CG1 3.97Å
471	A	94.5	Very high	75.1	Confident	1 Å²	1	44 Å²	44	1%	0.008	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	44.6	-179	0	0	0	0	0	114.3	H445 L447 P591 I593 S637	H445-A471 WeakPolarHBondContact O-CA 3.34Å; H445-A471 PolarHBondContact O-N 2.87Å; L447-A471 PolarHBondContact O-N 2.95Å; A471-P591 HydrophobicContact CB-CB 4.19Å; A471-I593 HydrophobicContact CB-CD1 4.35Å; A471-I593 HydrophobicContact CB-CG1 3.86Å; A471-S637 WeakPolarHBondContact O-CB 3.16Å; A471-S637 PolarHBondContact O-N 3.48Å
472	T	94	Very high	71.7	Confident	11 Å²	11	48 Å²	48	7%	0.067	28%	0.281	C	S	.	.			trans	-108.1	-4.8	176.4	58.4	0	0	0	0	113.1	H445 G469 V470 G474 S475	H445-T472 PolarHBondContact CD2-OG1 3.35Å; H445-T472 VanDerWaalsContact CG-OG1 3.26Å; H445-T472 PolarHBondContact O-N 3.01Å; H445-T472 VanDerWaalsContact O-N 3.14Å; G469-T472 WeakPolarHBondContact O-CB 3.11Å; G469-T472 VanDerWaalsContact O-CG2 3.3Å; G469-T472 WeakPolarHBondContact O-CG2 3.49Å; G469-T472 PolarHBondContact O-OG1 2.78Å; V470-T472 PolarHBondContact O-N 3.2Å; T472-G474 PolarHBondContact O-N 3.1Å; T472-S475 PolarHBondContact O-OG 3.31Å
473	A	83.9	Confident	68.4	Low	28 Å²	28	51.7 Å²	51.7	23%	0.231	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	126.7	175	0	0	0	0	0	111.1	H445 N446 P591	H445-A473 HydrophobicContact CB-CB 4.19Å; H445-A473 PolarHBondContact O-N 3.3Å; H445-A473 VanDerWaalsContact O-N 3.13Å; N446-A473 VanDerWaalsContact OD1-CB 3.27Å; N446-A473 WeakPolarHBondContact OD1-CB 3.35Å; A473-P591 HydrophobicContact CB-CG 4.03Å; A473-P591 VanDerWaalsContact O-CD 3.31Å; A473-P591 WeakPolarHBondContact O-CD 3.31Å; A473-P591 WeakPolarHBondContact O-CG 3.3Å
474	G	66	Low	65	Low	62 Å²	62	59 Å²	59	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	-0.8	176.9	0	0	0	0	0	115.9	T472 N476	T472-G474 PolarHBondContact O-N 3.1Å; G474-N476 PolarHBondContact O-N 3.18Å
475	S	56	Low	61.6	Low	54 Å²	54	66.5 Å²	66.5	38%	0.378	39%	0.391	S	S	.	.			trans	-71.6	121	162.7	55.6	0	0	0	0	108.8	T472 D477	T472-S475 PolarHBondContact O-OG 3.31Å; S475-D477 PolarHBondContact O-N 2.66Å
476	N	31.9	Very low	58.4	Low	159 Å²	159	73.4 Å²	73.4	85%	0.85	43%	0.433	S	S	*	.	S	Bend	trans	-67	61.2	179.6	-72.1	-29.2	0	0	0	113.3	G474	G474-N476 PolarHBondContact O-N 3.18Å
477	D	35	Very low	55.2	Low	111 Å²	111	79.1 Å²	79.1	59%	0.594	47%	0.468	S	S	*	.			trans	-116.9	66.2	164.1	-75	-27.6	0	0	0	108.3	S475 D479	S475-D477 PolarHBondContact O-N 2.66Å; D477-D479 PolarHBondContact O-N 2.79Å; D477-D479 VanDerWaalsContact O-N 3.16Å
478	D	31.7	Very low	51.9	Low	126 Å²	126	86 Å²	86	67%	0.674	51%	0.505	S	S	*	.			trans	-71.8	21.7	158.1	-84.8	-35.6	0	0	0	111.5	L480 H481	D478-L480 PolarHBondContact O-N 3.46Å; D478-L480 VanDerWaalsContact O-N 3.15Å; D478-H481 PolarHBondContact O-N 3.09Å
479	D	33.1	Very low	48.6	Very low	116 Å²	116	90.3 Å²	90.3	62%	0.62	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	3.5	-177.6	-90.9	-5.6	0	0	0	114.3	D477	D477-D479 PolarHBondContact O-N 2.79Å; D477-D479 VanDerWaalsContact O-N 3.16Å
480	L	38.4	Very low	45.5	Very low	110 Å²	110	97.9 Å²	97.9	58%	0.576	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-2	162.1	-99.4	99.6	0	0	0	114.1	N423 D478	N423-L480 HydrophobicContact CB-CD2 4.1Å; D478-L480 PolarHBondContact O-N 3.46Å; D478-L480 VanDerWaalsContact O-N 3.15Å
481	H	36.7	Very low	42.2	Very low	138 Å²	138	106 Å²	106	64%	0.639	61%	0.614	S	S	*	*	S	Bend	trans	-111	8.6	-178.8	-75.6	-54	0	0	0	115.7	D478	D478-H481 PolarHBondContact O-N 3.09Å
482	S	27.9	Very low	39.3	Very low	83 Å²	83	114.1 Å²	114.1	58%	0.58	65%	0.651	S	S	*	*	S	Bend	trans	-129.5	-7.5	-179.9	64.9	0	0	0	0	116.5	N484	S482-N484 PolarHBondContact O-N 3.02Å
483	A	27.2	Very low	36	Very low	79 Å²	79	121.3 Å²	121.3	65%	0.653	68%	0.684	S	S	*	*	S	Bend	trans	-95.1	57.4	-177.6	0	0	0	0	0	113.4
484	N	27.6	Very low	33.4	Very low	153 Å²	153	131.7 Å²	131.7	82%	0.818	72%	0.719	S	S	*	*	S	Bend	trans	-170	67.2	164.9	-90.3	-33.4	0	0	0	110	S482	S482-N484 PolarHBondContact O-N 3.02Å
485	N	27.6	Very low	31.6	Very low	158 Å²	158	132.3 Å²	132.3	85%	0.845	73%	0.725	S	S	*	*			trans	173.2	108.7	154.8	-88.3	-29.1	0	0	0	108
486	V	30	Very low	30.1	Very low	144 Å²	144	139 Å²	139	87%	0.873	75%	0.75	S	S	*	*			trans	153.8	102	145.1	168.1	0	0	0	0	108.2
487	T	30.3	Very low	29.9	Very low	120 Å²	120	139.7 Å²	139.7	74%	0.736	75%	0.749	S	S	*	*			trans	-68.3	143	163	43.6	0	0	0	0	111.4
488	D	28.7	Very low	29.4	Very low	148 Å²	148	142 Å²	142	79%	0.791	76%	0.756	S	S	*	*			trans	66.7	128.1	150.5	-71.1	-30.1	0	0	0	122.1
489	S	28.6	Very low	29.3	Very low	95 Å²	95	143.4 Å²	143.4	66%	0.664	76%	0.763	S	S	*	*			trans	74	101.3	144.8	67.9	0	0	0	0	118.6
490	N	31.1	Very low	29	Very low	158 Å²	158	145 Å²	145	85%	0.845	77%	0.772	S	S	*	*				170.7	135.2	103.6	-85	-45.3	0	0	0	112.4
491	Q	26.1	Very low	28.5	Very low	172 Å²	172	149.4 Å²	149.4	80%	0.804	79%	0.786	S	S	*	*			trans	-66	136.8	166.5	-64.5	170.3	-24.3	0	0	110.2
492	H	32.8	Very low	27.9	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.796	79%	0.791	S	S	*	*				179.9	140.3	126.5	-98.5	-65.2	0	0	0	114
493	Q	25.4	Very low	27.9	Very low	162 Å²	162	155.2 Å²	155.2	76%	0.757	80%	0.802	S	S	*	*			trans	-41.5	141.3	174.2	-68.5	158.5	-40	0	0	118.3
494	Y	29.1	Very low	27.8	Very low	246 Å²	246	156.8 Å²	156.8	97%	0.965	80%	0.804	S	S	*	*			trans	-164.5	136	132.5	-93	-79.8	0	0	0	105
495	G	28.3	Very low	27.8	Very low	75 Å²	75	159.6 Å²	159.6	77%	0.773	80%	0.804	S	S	*	*			cis	127.8	114	33.6	0	0	0	0	0	106.6
496	Q	24.2	Very low	27.7	Very low	194 Å²	194	158.6 Å²	158.6	91%	0.907	80%	0.804	S	S	*	*			trans	-58.6	149.7	-168	-63.9	168	-27.9	0	0	116.3
497	Q	27.2	Very low	27.5	Very low	174 Å²	174	158.2 Å²	158.2	81%	0.813	80%	0.802	S	S	*	*				-172	117.9	125.8	-105.5	173.9	-6.6	0	0	114.3
498	E	26.3	Very low	27.4	Very low	159 Å²	159	157.2 Å²	157.2	74%	0.743	81%	0.806	S	S	*	*			trans	54.8	108.7	135.9	-64.6	176.9	175	0	0	122.6
499	N	28.8	Very low	27.4	Very low	155 Å²	155	157.2 Å²	157.2	83%	0.829	81%	0.805	S	S	*	*				179.8	109	95.3	-95.4	-43.3	0	0	0	112.5
500	N	25.9	Very low	27.3	Very low	149 Å²	149	160.8 Å²	160.8	80%	0.797	82%	0.817	S	S	*	*			trans	-79.5	125	176.2	-83.5	-25.3	0	0	0	111.8
501	K	29.1	Very low	27.1	Very low	203 Å²	203	159 Å²	159	88%	0.883	81%	0.811	S	S	*	*			trans	-132.1	87	145.5	-87.2	-172.5	176.9	178.8	0	108.5
502	Q	24.6	Very low	27.2	Very low	158 Å²	158	156 Å²	156	74%	0.738	81%	0.81	S	S	*	*			trans	-73	119.6	166.6	-103.4	169.9	-29.7	0	0	108.9
503	F	27.4	Very low	27	Very low	186 Å²	186	155.5 Å²	155.5	82%	0.816	81%	0.812	S	S	*	*			trans	-94.9	96.6	157.6	-99.6	-83.5	0	0	0	107.8
504	T	24.4	Very low	27.1	Very low	111 Å²	111	156 Å²	156	68%	0.681	82%	0.816	S	S	*	*			trans	-77.8	117.5	167.2	36.6	0	0	0	0	109.7
505	Y	28.1	Very low	27	Very low	213 Å²	213	148.5 Å²	148.5	84%	0.835	80%	0.8	S	S	*	*			trans	-104.5	113.3	149.9	-84.6	-81.4	0	0	0	107.3	T507	Y505-T507 PolarHBondContact O-N 2.87Å
506	T	25.5	Very low	27	Very low	137 Å²	137	153.1 Å²	153.1	84%	0.84	80%	0.802	S	S	*	*			trans	-68.5	108.4	179.4	11.2	0	0	0	0	110.6
507	T	25.8	Very low	27.4	Very low	136 Å²	136	151.5 Å²	151.5	83%	0.834	79%	0.794	S	S	*	*			trans	-79.1	118.2	146.9	39	0	0	0	0	108.1	Y505	Y505-T507 PolarHBondContact O-N 2.87Å
508	A	28.1	Very low	27.5	Very low	98 Å²	98	149.5 Å²	149.5	81%	0.81	79%	0.789	S	S	*	*			trans	-116.7	100.9	164.8	0	0	0	0	0	108.5
509	L	28.2	Very low	27.7	Very low	148 Å²	148	147.7 Å²	147.7	78%	0.775	78%	0.784	S	S	*	*			trans	-77.9	135.3	154.4	-91.9	131.7	0	0	0	107.2
510	D	26.6	Very low	27.7	Very low	171 Å²	171	147 Å²	147	91%	0.914	78%	0.78	S	S	*	*			trans	-122.6	107.7	155.1	-97.2	-26.1	0	0	0	108.8
511	T	27.4	Very low	27.9	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	78%	0.775	S	S	*	*			trans	-132.3	110	162.8	14.7	0	0	0	0	107.1
512	S	27.5	Very low	28	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	77%	0.768	S	S	*	*			trans	171.9	128.9	139.7	57.8	0	0	0	0	112.7
513	L	29.1	Very low	28.2	Very low	161 Å²	161	141.4 Å²	141.4	84%	0.843	76%	0.764	S	S	*	*			trans	170.7	98.3	138.5	-90.1	153	0	0	0	106.7
514	M	27.3	Very low	28.4	Very low	171 Å²	171	138.1 Å²	138.1	84%	0.842	76%	0.755	S	S	*	*				56.3	129.8	101.5	-58	-108.6	95.4	0	0	112.2
515	S	27.7	Very low	28.7	Very low	90 Å²	90	139.7 Å²	139.7	63%	0.629	75%	0.754	S	S	*	*			cis	174.1	148.7	13.9	46.3	0	0	0	0	108.2
516	H	28.7	Very low	28.7	Very low	172 Å²	172	137.1 Å²	137.1	80%	0.796	75%	0.75	S	S	*	*			trans	56.3	143.7	156.5	-69.4	-68.7	0	0	0	117.9
517	E	31.9	Very low	28.7	Very low	159 Å²	159	136 Å²	136	74%	0.743	74%	0.743	S	S	*	*			cis	-171	128.4	30.7	-117.8	160.4	-160	0	0	104.5
518	N	29	Very low	28.8	Very low	133 Å²	133	137 Å²	137	71%	0.711	74%	0.743	S	S	*	*				85.4	134.9	100.1	-89.5	16.9	0	0	0	117.8
519	D	29.6	Very low	28.7	Very low	121 Å²	121	137 Å²	137	65%	0.647	74%	0.736	S	S	*	*			trans	88.1	103.3	144.8	-55.4	-13.3	0	0	0	120.5
520	D	29.3	Very low	28.7	Very low	139 Å²	139	138.6 Å²	138.6	74%	0.743	74%	0.74	S	S	*	*				103.8	120.9	107.7	-78.5	-13	0	0	0	122.4
521	V	31.5	Very low	28.7	Very low	112 Å²	112	136.2 Å²	136.2	68%	0.679	74%	0.736	S	S	*	*				96.8	98.5	129.2	176.2	0	0	0	0	119.2
522	E	29.9	Very low	28.8	Very low	161 Å²	161	139.3 Å²	139.3	75%	0.752	74%	0.742	S	S	*	*				63.6	142.1	116.7	-68.1	-175.6	158.3	0	0	124.3
523	D	30.3	Very low	28.8	Very low	121 Å²	121	140.5 Å²	140.5	65%	0.647	75%	0.745	S	S	*	*			trans	88.1	104	140.9	-69.4	-4.2	0	0	0	121.9
524	D	30.1	Very low	28.9	Very low	116 Å²	116	140.1 Å²	140.1	62%	0.62	74%	0.743	S	S	*	*				118.7	122	104.2	-93	-14.6	0	0	0	120
525	H	31.1	Very low	28.9	Very low	144 Å²	144	137.2 Å²	137.2	67%	0.667	74%	0.74	S	S	*	*			trans	73.4	116	137.1	-69	-38.1	0	0	0	123.4
526	Q	27.2	Very low	28.9	Very low	159 Å²	159	140.9 Å²	140.9	74%	0.743	75%	0.747	S	S	*	*				83.7	103.7	122.2	-76.9	-172.1	0.7	0	0	121.2
527	T	26.8	Very low	28.9	Very low	115 Å²	115	138.5 Å²	138.5	71%	0.706	74%	0.737	S	S	*	*				55.8	129.9	124.3	44.9	0	0	0	0	122.5
528	L	26.5	Very low	28.7	Very low	157 Å²	157	139.4 Å²	139.4	82%	0.822	74%	0.738	S	S	*	*			trans	100.2	113.6	141.5	-74.5	154.1	0	0	0	119.5
529	S	26.9	Very low	28.7	Very low	97 Å²	97	140 Å²	140	68%	0.678	74%	0.74	S	S	*	*			trans	86.7	117	133.2	71	0	0	0	0	119.9
530	H	28.9	Very low	28.7	Very low	182 Å²	182	141.7 Å²	141.7	84%	0.843	74%	0.744	S	S	*	*			trans	60.1	134.9	141.4	-73.9	-68	0	0	0	121.3
531	S	26.8	Very low	28.8	Very low	120 Å²	120	140.9 Å²	140.9	84%	0.839	75%	0.749	S	S	*	*			trans	99.8	132.7	151.3	73.3	0	0	0	0	117
532	E	28.1	Very low	28.6	Very low	184 Å²	184	142.5 Å²	142.5	86%	0.86	75%	0.754	S	S	*	*			trans	-57.5	153.6	-173.1	-62.3	155.4	141.7	0	0	112.7
533	V	28.1	Very low	28.7	Very low	137 Å²	137	140.7 Å²	140.7	83%	0.83	76%	0.759	S	S	*	*				167.1	135.4	118.5	168.5	0	0	0	0	109.4
534	D	30.3	Very low	28.6	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	76%	0.762	S	S	*	*			trans	-40.9	145.3	175.5	-72.1	-49.8	0	0	0	116.8
535	S	28.1	Very low	28.6	Very low	111 Å²	111	145.3 Å²	145.3	78%	0.776	78%	0.776	S	S	*	*				-173.5	122.1	129.8	16.6	0	0	0	0	112.8
536	Q	28.1	Very low	28.6	Very low	167 Å²	167	144 Å²	144	78%	0.78	78%	0.78	S	S	*	*				17	141.2	126.6	-67.6	-179.7	-7.6	0	0	117
537	Q	28	Very low	28.5	Very low	122 Å²	122	144.9 Å²	144.9	57%	0.57	78%	0.784	S	S	*	*			cis	174.1	-178.7	39.4	-129.3	170.8	15.8	0	0	108
538	F	27.1	Very low	28.8	Very low	177 Å²	177	147.5 Å²	147.5	78%	0.776	79%	0.794	S	S	*	*			trans	109.8	130	156	-66.9	-61.4	0	0	0	115.4
539	I	30.6	Very low	28.8	Very low	147 Å²	147	149 Å²	149	75%	0.754	79%	0.794	S	S	*	*			cis	-156	143.5	6.9	-94.4	150.8	0	0	0	109.7
540	H	28.6	Very low	28.9	Very low	155 Å²	155	152.5 Å²	152.5	72%	0.718	80%	0.804	S	S	*	*			trans	-67.5	152.6	166.4	-91	-76.3	0	0	0	113.9
541	S	31.8	Very low	28.8	Very low	123 Å²	123	149.5 Å²	149.5	86%	0.86	80%	0.799	S	S	*	*			trans	-146.3	118.3	135.7	52.8	0	0	0	0	112
542	N	27.3	Very low	28.8	Very low	146 Å²	146	150.4 Å²	150.4	78%	0.781	79%	0.794	S	S	*	*			trans	-85.1	150	168.8	-83.3	-24.7	0	0	0	109.8
543	S	32.3	Very low	28.7	Very low	123 Å²	123	148.9 Å²	148.9	86%	0.86	79%	0.792	S	S	*	*			trans	-145.4	142.5	141.8	71.7	0	0	0	0	111.7
544	S	28.5	Very low	28.5	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	79%	0.789	S	S	*	*			trans	-101.8	151.9	-160.6	47.2	0	0	0	0	112.9
545	Y	29.6	Very low	28.2	Very low	232 Å²	232	149.2 Å²	149.2	91%	0.91	79%	0.792	S	S	*	*			trans	-144.1	151	147.2	-85.8	-76.4	0	0	0	112.8
546	P	31.3	Very low	28.1	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	79%	0.794	S	S	*	*			trans	-104.7	169.5	-153.2	40.3	-34.4	0	0	0	115.8
547	E	25.7	Very low	28.1	Very low	178 Å²	178	149.7 Å²	149.7	83%	0.832	80%	0.796	S	S	*	*			trans	-49.8	140.8	177.1	-60.2	176.5	153.7	0	0	115.4
548	D	31.4	Very low	28	Very low	170 Å²	170	151 Å²	151	91%	0.909	81%	0.812	S	S	*	*			trans	-140.1	134.9	143.6	-115.8	-25.7	0	0	0	111.6
549	K	27.4	Very low	27.9	Very low	188 Å²	188	151.2 Å²	151.2	82%	0.817	81%	0.813	S	S	*	*			trans	-75.8	129.4	-171.5	-67.8	169.9	176.7	172.9	0	111.1
550	L	29	Very low	27.7	Very low	171 Å²	171	149.8 Å²	149.8	90%	0.895	82%	0.816	S	S	*	*			trans	-149.5	123.2	150.2	-102	158.7	0	0	0	110.2
551	T	26.9	Very low	27.5	Very low	119 Å²	119	150.5 Å²	150.5	73%	0.73	82%	0.823	S	S	*	*			trans	-71.3	127.3	177.5	44.6	0	0	0	0	111.6
552	D	26	Very low	27.3	Very low	139 Å²	139	150.8 Å²	150.8	74%	0.743	81%	0.813	S	S	*	*			trans	149.4	119.8	133.1	-88.8	-20.4	0	0	0	111.6
553	N	26.2	Very low	27.3	Very low	152 Å²	152	148.2 Å²	148.2	81%	0.813	81%	0.807	S	S	*	*	S	Bend	trans	63.6	65.4	151.2	-58.3	-31.7	0	0	0	119.6
554	S	25	Very low	27.1	Very low	110 Å²	110	151.7 Å²	151.7	77%	0.769	81%	0.809	S	S	*	*			trans	177.9	119.9	143.6	50	0	0	0	0	110.1
555	E	23.9	Very low	27.1	Very low	187 Å²	187	154.1 Å²	154.1	87%	0.874	81%	0.809	S	S	*	*			trans	145.9	114.4	152.9	-85.5	179.4	-179.7	0	0	110.7
556	T	26.2	Very low	26.9	Very low	133 Å²	133	149.6 Å²	149.6	82%	0.816	81%	0.805	S	S	*	*			trans	176.7	101.4	145.6	22.4	0	0	0	0	106.6
557	N	27.8	Very low	26.8	Very low	154 Å²	154	148.2 Å²	148.2	82%	0.824	80%	0.799	S	S	*	*			trans	-173.4	60.8	147	-91	-19	0	0	0	110.7
558	V	24.7	Very low	27	Very low	149 Å²	149	147.5 Å²	147.5	90%	0.903	80%	0.799	S	S	*	*			trans	-88.5	86.7	145.7	177.6	0	0	0	0	105.6
559	K	25.6	Very low	26.8	Very low	183 Å²	183	143 Å²	143	80%	0.796	78%	0.781	S	S	*	*			trans	-177.6	132.9	163.7	-102.3	165	-170.7	-176.5	0	108.7
560	S	27.3	Very low	26.8	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	78%	0.776	S	S	*	*			trans	88.2	63.2	176.7	77.6	0	0	0	0	117.9	I562	S560-I562 PolarHBondContact O-N 2.86Å
561	I	24.6	Very low	26.9	Very low	169 Å²	169	143.5 Å²	143.5	87%	0.867	77%	0.772	S	S	*	*			trans	-76.6	98	143	-63.2	169.5	0	0	0	105.1
562	I	27	Very low	27	Very low	130 Å²	130	145.7 Å²	145.7	67%	0.667	77%	0.774	S	S	*	*	S	Bend	trans	179.2	126.9	159.4	-86.8	145.2	0	0	0	105.8	S560	S560-I562 PolarHBondContact O-N 2.86Å
563	S	26.9	Very low	27.1	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	77%	0.769	S	S	*	*			trans	75.1	94.1	176.4	76.9	0	0	0	0	117.5
564	H	28.1	Very low	27.4	Very low	195 Å²	195	139.4 Å²	139.4	90%	0.903	75%	0.747	S	S	*	*			trans	-106	87.3	147.6	-92.7	14.6	0	0	0	108.5	V566	H564-V566 PolarHBondContact O-N 2.94Å
565	Q	27.6	Very low	27.6	Very low	152 Å²	152	144 Å²	144	71%	0.71	75%	0.753	S	S	*	*			trans	-62.7	113.2	153.3	-80.5	-176.7	-28.8	0	0	107.3	S567	Q565-S567 VanDerWaalsContact C-N 3.33Å; Q565-S567 PolarHBondContact O-N 3.18Å
566	V	26.9	Very low	27.9	Very low	137 Å²	137	139.5 Å²	139.5	83%	0.83	74%	0.743	S	S	*	*			trans	-56.1	101.4	164.7	174.8	0	0	0	0	107.1	H564	H564-V566 PolarHBondContact O-N 2.94Å
567	S	29.4	Very low	28.1	Very low	88 Å²	88	137.2 Å²	137.2	62%	0.615	73%	0.728	S	S	*	*			trans	-77.4	131.8	178.2	48.1	0	0	0	0	109.4	Q565 S569	Q565-S567 VanDerWaalsContact C-N 3.33Å; Q565-S567 PolarHBondContact O-N 3.18Å; S567-S569 PolarHBondContact O-N 3.5Å
568	I	28.6	Very low	28.3	Very low	162 Å²	162	135.6 Å²	135.6	83%	0.831	72%	0.716	S	S	*	*	S	Bend	trans	-72.5	26.2	-175.7	-71.6	165.8	0	0	0	112.3
569	S	27.4	Very low	28.6	Very low	76 Å²	76	132 Å²	132	53%	0.531	70%	0.697	S	S	.	*			trans	-108.4	10.7	-165.9	54.8	0	0	0	0	117.9	S567	S567-S569 PolarHBondContact O-N 3.5Å
570	Q	28.4	Very low	28.8	Very low	153 Å²	153	130.6 Å²	130.6	72%	0.715	69%	0.694	S	S	*	*			trans	-89.2	8.3	169.5	-85.1	-172.8	-10.6	0	0	115	Q572 I574	Q570-Q572 PolarHBondContact O-N 3.43Å; Q570-I574 HydrophobicContact CB-CD1 4.44Å; Q570-I574 VanDerWaalsContact O-CD1 3.31Å; Q570-I574 WeakPolarHBondContact O-CD1 3.48Å; Q570-I574 WeakPolarHBondContact O-CG1 3.23Å
571	R	29.9	Very low	29.4	Very low	216 Å²	216	128.1 Å²	128.1	82%	0.815	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	11.7	-173.3	-84.9	-172.7	179.1	-166.3	-1	117.3
572	Q	30	Very low	29.9	Very low	165 Å²	165	123.8 Å²	123.8	77%	0.771	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.6	4.2	177.4	-74.9	-174.1	-20.8	0	0	116.8	Q570	Q570-Q572 PolarHBondContact O-N 3.43Å
573	S	28.1	Very low	30.2	Very low	92 Å²	92	123.2 Å²	123.2	64%	0.643	65%	0.652	S	S	*	*	S	Bend	trans	-116.2	3.7	174	50.1	0	0	0	0	115	K575	S573-K575 PolarHBondContact O-N 3.05Å
574	I	31.8	Very low	30.8	Very low	68 Å²	68	122.2 Å²	122.2	35%	0.349	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.5	56.7	-177.9	-49	175.9	0	0	0	110.8	Q570 V577 Q578	Q570-I574 HydrophobicContact CB-CD1 4.44Å; Q570-I574 VanDerWaalsContact O-CD1 3.31Å; Q570-I574 WeakPolarHBondContact O-CD1 3.48Å; Q570-I574 WeakPolarHBondContact O-CG1 3.23Å; I574-V577 HydrophobicContact CG2-CB 3.94Å; I574-Q578 HydrophobicContact CG2-CG 3.91Å
575	K	30.2	Very low	31.6	Very low	205 Å²	205	116 Å²	116	89%	0.891	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-3.7	162	-82.2	-171.7	176	-178.2	0	113	S573	S573-K575 PolarHBondContact O-N 3.05Å
576	S	29.1	Very low	32.2	Very low	94 Å²	94	116.3 Å²	116.3	66%	0.657	62%	0.616	S	S	*	*	S	Bend	trans	-119.9	-2.2	178.1	56.4	0	0	0	0	115.1
577	V	31.1	Very low	33	Very low	85 Å²	85	116.3 Å²	116.3	52%	0.515	61%	0.612	S	S	.	*	S	Bend	trans	-106.4	-10.7	177.4	-177.9	0	0	0	0	112.2	I574 S579 E580	I574-V577 HydrophobicContact CG2-CB 3.94Å; V577-S579 PolarHBondContact O-N 2.97Å; V577-E580 PolarHBondContact O-N 3.36Å
578	Q	32.2	Very low	34.2	Very low	120 Å²	120	113.2 Å²	113.2	56%	0.561	59%	0.588	S	S	*	*	H	α-helix	trans	-69.7	-16.1	177.7	-79.7	179.1	-18	0	0	113.9	I574 I582	I574-Q578 HydrophobicContact CG2-CG 3.91Å; Q578-I582 WeakPolarHBondContact O-CD1 3.5Å; Q578-I582 VanDerWaalsContact O-CG1 3.23Å; Q578-I582 WeakPolarHBondContact O-CG1 3.39Å
579	S	30.2	Very low	35.6	Very low	73 Å²	73	109.5 Å²	109.5	51%	0.51	58%	0.576	S	S	.	*	H	α-helix	trans	-84	-22.7	178.3	50.6	0	0	0	0	114	V577	V577-S579 PolarHBondContact O-N 2.97Å
580	E	29.9	Very low	37.9	Very low	154 Å²	154	108.8 Å²	108.8	72%	0.72	57%	0.571	S	S	*	*	H	α-helix	trans	-88.3	-25.5	-177.8	-75.6	-176.5	162.4	0	0	113.4	V577	V577-E580 PolarHBondContact O-N 3.36Å
581	S	40.1	Very low	40.8	Very low	64 Å²	64	101.7 Å²	101.7	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-80.1	-26.9	173.2	62.5	0	0	0	0	113.5	S584 M585	S581-S584 PolarHBondContact O-OG 3.04Å; S581-S584 VanDerWaalsContact O-OG 3.07Å; S581-M585 WeakPolarHBondContact O-CG 3.36Å; S581-M585 PolarHBondContact O-N 3.21Å
582	I	36.2	Very low	43.8	Very low	79 Å²	79	92.2 Å²	92.2	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-75.3	-33.4	178	-65.9	173.8	0	0	0	110.9	Q578 S584 M585 F586	Q578-I582 WeakPolarHBondContact O-CD1 3.5Å; Q578-I582 VanDerWaalsContact O-CG1 3.23Å; Q578-I582 WeakPolarHBondContact O-CG1 3.39Å; I582-S584 PolarHBondContact O-N 3.47Å; I582-M585 WeakPolarHBondContact O-CB 3.46Å; I582-M585 PolarHBondContact O-N 2.82Å; I582-M585 VanDerWaalsContact O-N 3.13Å; I582-F586 HydrophobicContact CG2-CD2 4.15Å; I582-F586 HydrophobicContact CG2-CE2 3.7Å; I582-F586 VanDerWaalsContact O-CD2 3.26Å; I582-F586 WeakPolarHBondContact O-CD2 3.24Å; I582-F586 PolarHBondContact O-N 3.12Å
583	N	32.8	Very low	47	Very low	118 Å²	118	84.4 Å²	84.4	63%	0.631	47%	0.467	S	S	*	.	H	α-helix	trans	-73.3	-24.6	177.3	-79.4	-20.6	0	0	0	113.7
584	S	40.1	Very low	50.3	Low	71 Å²	71	80 Å²	80	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-77.2	-22.4	167.9	71.5	0	0	0	0	112.6	S581 I582	S581-S584 PolarHBondContact O-OG 3.04Å; S581-S584 VanDerWaalsContact O-OG 3.07Å; I582-S584 PolarHBondContact O-N 3.47Å
585	M	43.7	Very low	53.4	Low	65 Å²	65	76.8 Å²	76.8	32%	0.32	42%	0.42	S	S	.	.	H	α-helix	trans	-69.7	-28.7	174.2	-75.4	171.6	59.4	0	0	113.2	S581 I582 N587	S581-M585 WeakPolarHBondContact O-CG 3.36Å; S581-M585 PolarHBondContact O-N 3.21Å; I582-M585 WeakPolarHBondContact O-CB 3.46Å; I582-M585 PolarHBondContact O-N 2.82Å; I582-M585 VanDerWaalsContact O-N 3.13Å; M585-N587 VanDerWaalsContact C-N 3.28Å; M585-N587 PolarHBondContact O-N 3.38Å
586	F	41	Very low	56.6	Low	157 Å²	157	67.1 Å²	67.1	69%	0.689	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.1	179.2	-79.8	-72.3	0	0	0	114.7	I582	I582-F586 HydrophobicContact CG2-CD2 4.15Å; I582-F586 HydrophobicContact CG2-CE2 3.7Å; I582-F586 VanDerWaalsContact O-CD2 3.26Å; I582-F586 WeakPolarHBondContact O-CD2 3.24Å; I582-F586 PolarHBondContact O-N 3.12Å
587	N	44.2	Very low	59.9	Low	137 Å²	137	63.1 Å²	63.1	73%	0.733	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	14.9	178.2	-107.8	5	0	0	0	114.4	M585 S589	M585-N587 VanDerWaalsContact C-N 3.28Å; M585-N587 PolarHBondContact O-N 3.38Å; N587-S589 PolarHBondContact O-N 2.7Å
588	M	53.8	Low	62.9	Low	24 Å²	24	61.8 Å²	61.8	12%	0.118	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	35.7	176.9	-69.1	-156.7	66	0	0	113.8	C590 N592 Q661	M588-C590 PolarHBondContact O-N 2.78Å; M588-N592 HydrophobicContact CE-CB 3.92Å; M588-Q661 HydrophobicContact CB-CG 3.85Å; M588-Q661 PolarHBondContact O-NE2 3.38Å; M588-Q661 HydrophobicContact SD-CG 4.47Å
589	S	58.6	Low	65.9	Low	83 Å²	83	59.4 Å²	59.4	58%	0.58	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.6	174	56	0	0	0	0	113.3	N587 S666	N587-S589 PolarHBondContact O-N 2.7Å; S589-S666 WeakPolarHBondContact O-CB 3.32Å
590	C	75.5	Confident	68.9	Low	62 Å²	62	61.1 Å²	61.1	42%	0.419	33%	0.333	S	S	.	.	S	Bend	trans	-100.4	151.4	179.6	-60.3	0	0	0	0	110.8	M588	M588-C590 PolarHBondContact O-N 2.78Å
591	P	88.4	Confident	72	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.019	30%	0.299	C	S	.	.			trans	-63	145.9	176.3	32	-36.9	0	0	0	110.7	S448 A471 A473 S637 S666	S448-P591 WeakPolarHBondContact OG-CA 3.36Å; A471-P591 HydrophobicContact CB-CB 4.19Å; A473-P591 HydrophobicContact CB-CG 4.03Å; A473-P591 VanDerWaalsContact O-CD 3.31Å; A473-P591 WeakPolarHBondContact O-CD 3.31Å; A473-P591 WeakPolarHBondContact O-CG 3.3Å; P591-S637 WeakPolarHBondContact O-CB 3.15Å; P591-S637 PolarHBondContact O-OG 2.87Å; P591-S666 WeakPolarHBondContact CD-OG 3.28Å
592	N	92.9	Very high	74.4	Confident	18 Å²	18	54.1 Å²	54.1	10%	0.096	29%	0.293	C	S	.	.			trans	-151.5	148.9	-176.3	-168.5	16.3	0	0	0	111.5	S448 V449 M588 T594 S637 V638 R639	S448-N592 WeakPolarHBondContact CA-O 3.46Å; S448-N592 PolarHBondContact OG-N 2.86Å; V449-N592 PolarHBondContact N-O 3.3Å; M588-N592 HydrophobicContact CE-CB 3.92Å; N592-T594 PolarHBondContact ND2-OG1 2.88Å; N592-S637 PolarHBondContact OD1-O 2.84Å; N592-S637 PolarHBondContact OD1-OG 3.06Å; N592-V638 WeakPolarHBondContact OD1-CA 3.24Å; N592-V638 PolarHBondContact OD1-N 3.39Å; N592-R639 WeakPolarHBondContact ND2-CB 3.48Å
593	I	96.7	Very high	77	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.1	166.7	-57.8	165	0	0	0	107.7	V449 L462 L465 V470 A471 V595 I636 S637 V638 R639	V449-I593 HydrophobicContact CB-CG1 4.24Å; V449-I593 HydrophobicContact CB-CG2 4.35Å; V449-I593 CarbonylContact O-C 3.5Å; V449-I593 WeakPolarHBondContact O-CA 3.45Å; L462-I593 HydrophobicContact CD2-CG2 3.97Å; L465-I593 HydrophobicContact CB-CD1 3.97Å; L465-I593 HydrophobicContact CD1-CD1 4.17Å; L465-I593 HydrophobicContact CD1-CG2 4.23Å; V470-I593 HydrophobicContact CB-CD1 4.18Å; V470-I593 HydrophobicContact CG1-CD1 3.97Å; V470-I593 HydrophobicContact CG1-CG1 3.97Å; A471-I593 HydrophobicContact CB-CD1 4.35Å; A471-I593 HydrophobicContact CB-CG1 3.86Å; I593-V595 HydrophobicContact CG2-CG2 3.96Å; I593-I636 HydrophobicContact CD1-CD1 3.66Å; I593-I636 HydrophobicContact CD1-CG1 3.93Å; I593-S637 PolarHBondContact N-O 2.86Å; I593-V638 HydrophobicContact CB-CG1 3.92Å; I593-V638 HydrophobicContact CD1-CG1 4.15Å; I593-V638 HydrophobicContact CG2-CG1 4.41Å; I593-V638 CarbonylContact O-C 3.48Å; I593-V638 VanDerWaalsContact O-CA 3.29Å; I593-V638 WeakPolarHBondContact O-CA 3.37Å; I593-R639 PolarHBondContact O-N 3.49Å
594	T	97.3	Very high	79.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.5	176.7	-56.5	0	0	0	0	110	V449 F450 M451 N592 R639 M641 F658	V449-T594 PolarHBondContact O-N 3.07Å; F450-T594 HydrophobicContact CD2-CG2 4.13Å; F450-T594 HydrophobicContact CE2-CG2 4.22Å; M451-T594 PolarHBondContact N-O 3.08Å; N592-T594 PolarHBondContact ND2-OG1 2.88Å; T594-R639 WeakPolarHBondContact CA-O 2.85Å; T594-R639 HydrophobicContact CG2-CB 4.46Å; T594-R639 HydrophobicContact CG2-CG 4.47Å; T594-M641 HydrophobicContact CG2-CG 4.33Å; T594-M641 HydrophobicContact CG2-SD 3.71Å; T594-F658 HydrophobicContact CG2-CZ 3.96Å
595	V	98	Very high	82.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130	-174.5	-174.8	0	0	0	0	109.9	M451 C454 L462 I593 R639 A640 M641	M451-V595 HydrophobicContact CB-CG2 4.38Å; M451-V595 HydrophobicContact CE-CB 4.18Å; M451-V595 HydrophobicContact CE-CG1 3.36Å; M451-V595 HydrophobicContact CE-CG2 3.79Å; M451-V595 WeakPolarHBondContact O-CA 3.25Å; C454-V595 HydrophobicContact CB-CG1 3.81Å; L462-V595 HydrophobicContact CD1-CG2 4.21Å; L462-V595 HydrophobicContact CD2-CG2 3.83Å; L462-V595 HydrophobicContact CG-CG2 4.42Å; I593-V595 HydrophobicContact CG2-CG2 3.96Å; V595-R639 PolarHBondContact N-O 2.8Å; V595-A640 CarbonylContact O-C 3.53Å; V595-M641 PolarHBondContact O-N 3.01Å
596	T	97.9	Very high	84.6	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.9	174.8	-158.3	0	0	0	0	112.7	F450 M451 V452 G453 M641 D643 F645 F654	F450-T596 HydrophobicContact CZ-CG2 4.23Å; M451-T596 PolarHBondContact O-N 2.91Å; V452-T596 HydrophobicContact CB-CG2 4.49Å; V452-T596 HydrophobicContact CG1-CG2 3.99Å; V452-T596 HydrophobicContact CG2-CG2 4.49Å; G453-T596 WeakPolarHBondContact CA-O 3.39Å; G453-T596 PolarHBondContact N-O 3.01Å; T596-M641 WeakPolarHBondContact CA-O 3.32Å; T596-M641 WeakPolarHBondContact OG1-CB 3.33Å; T596-D643 PolarHBondContact OG1-O 2.99Å; T596-F645 HydrophobicContact CG2-CB 4.36Å; T596-F654 HydrophobicContact CG2-CE1 4.13Å; T596-F654 HydrophobicContact CG2-CZ 3.94Å; T596-F654 WeakPolarHBondContact OG1-CZ 3.42Å
597	D	97.2	Very high	87.1	Confident	10 Å²	10	36 Å²	36	5%	0.053	20%	0.196	C	C	.	.			trans	-154.3	121.5	173.9	-166.9	-39.3	0	0	0	109.4	C454 G455 D599 M641	C454-D597 VanDerWaalsContact CA-OD2 3.31Å; C454-D597 WeakPolarHBondContact CA-OD2 3.34Å; C454-D597 HydrophobicContact CB-CB 3.58Å; C454-D597 PolarHBondContact N-OD2 2.85Å; G455-D597 PolarHBondContact N-OD2 3.05Å; D597-D599 VanDerWaalsContact C-N 3.3Å; D597-D599 VanDerWaalsContact OD1-CB 3.25Å; D597-D599 WeakPolarHBondContact OD1-CB 3.35Å; D597-D599 PolarHBondContact OD1-N 3.27Å; D597-M641 PolarHBondContact N-O 2.88Å; D597-M641 VanDerWaalsContact N-O 3.1Å
598	P	95.2	Very high	89.6	Confident	57 Å²	57	30.6 Å²	30.6	37%	0.37	17%	0.165	S	C	.	.			trans	-79.5	-7.8	-179.9	34.6	-37	0	0	0	114.4	G642 K644	P598-G642 WeakPolarHBondContact CA-O 3.37Å; P598-K644 HydrophobicContact CB-CB 4.17Å; P598-K644 HydrophobicContact CG-CB 4.11Å; P598-K644 HydrophobicContact CG-CG 4.29Å
599	D	94.3	Very high	91.6	Very high	69 Å²	69	29.8 Å²	29.8	37%	0.369	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-84.3	158.3	-173.7	-67.6	-10.2	0	0	0	113.3	D597 K621	D597-D599 VanDerWaalsContact C-N 3.3Å; D597-D599 VanDerWaalsContact OD1-CB 3.25Å; D597-D599 WeakPolarHBondContact OD1-CB 3.35Å; D597-D599 PolarHBondContact OD1-N 3.27Å; D599-K621 HydrophobicContact CB-CD 3.85Å; D599-K621 HydrophobicContact CB-CG 4.48Å; D599-K621 VanDerWaalsContact CB-NZ 3.25Å; D599-K621 PolarHBondContact O-N 3.45Å; D599-K621 VanDerWaalsContact O-N 3.15Å; D599-K621 IonicContact OD2-NZ 3.41Å; D599-K621 PolarHBondContact OD2-NZ 2.89Å
600	H	93.8	Very high	93.4	Very high	109 Å²	109	26.6 Å²	26.6	51%	0.505	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-102.8	157.6	171	-60.2	74.7	0	0	0	110.4	G618 L619 K621	H600-G618 PolarHBondContact CD2-O 3.01Å; H600-G618 VanDerWaalsContact CD2-O 3.24Å; H600-L619 CarbonylContact C-O 3.19Å; H600-L619 WeakPolarHBondContact CA-O 3.14Å; H600-K621 VanDerWaalsContact O-CE 3.28Å; H600-K621 WeakPolarHBondContact O-CE 3.29Å
601	I	94.4	Very high	94.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-73.8	128.7	-179	-62.3	163.3	0	0	0	109.8	L606 F612 H616 I617 G618 L619 K621 I624	I601-L606 HydrophobicContact CG2-CD2 4.27Å; I601-F612 HydrophobicContact CD1-CB 4.2Å; I601-F612 HydrophobicContact CD1-CD1 3.59Å; I601-F612 HydrophobicContact CD1-CD2 4.11Å; I601-F612 HydrophobicContact CD1-CE1 3.97Å; I601-F612 HydrophobicContact CD1-CE2 4.43Å; I601-F612 HydrophobicContact CD1-CG 3.69Å; I601-F612 HydrophobicContact CD1-CZ 4.39Å; I601-F612 HydrophobicContact CG1-CD1 4.2Å; I601-F612 HydrophobicContact CG1-CD2 3.83Å; I601-F612 HydrophobicContact CG1-CE1 4.38Å; I601-F612 HydrophobicContact CG1-CE2 4.01Å; I601-F612 HydrophobicContact CG1-CG 3.95Å; I601-F612 HydrophobicContact CG1-CZ 4.31Å; I601-F612 HydrophobicContact CG2-CB 4.04Å; I601-F612 HydrophobicContact CG2-CD2 4.09Å; I601-F612 HydrophobicContact CG2-CG 4.2Å; I601-H616 HydrophobicContact CD1-CB 3.72Å; I601-I617 CarbonylContact O-C 3.53Å; I601-I617 WeakPolarHBondContact O-CA 3.39Å; I601-G618 PolarHBondContact O-N 3.01Å; I601-L619 PolarHBondContact N-O 3.28Å; I601-K621 HydrophobicContact CG1-CB 4.43Å; I601-K621 HydrophobicContact CG1-CG 3.76Å; I601-I624 HydrophobicContact CD1-CB 3.87Å; I601-I624 HydrophobicContact CD1-CG1 3.88Å; I601-I624 HydrophobicContact CD1-CG2 4.02Å
602	E	90.2	Very high	94.7	Very high	69 Å²	69	24.1 Å²	24.1	32%	0.322	12%	0.119	S	C	.	.			trans	-112.8	160.6	174.2	-63.6	170.9	-176.7	0	0	111.6	R12 S604 N605	R12-E602 IonicContact NH2-OE2 2.79Å; E602-S604 PolarHBondContact O-N 2.93Å; E602-S604 PolarHBondContact OE2-OG 2.94Å; E602-N605 PolarHBondContact N-OD1 2.83Å; E602-N605 WeakPolarHBondContact O-CB 3.2Å; E602-N605 PolarHBondContact O-N 3.11Å
603	K	90.1	Very high	94.7	Very high	86 Å²	86	26.8 Å²	26.8	37%	0.374	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-56.2	-39.6	177.7	-171	172.8	175.4	-164.5	0	112.8	D6 S8 N605 L606 I617	D6-K603 IonicContact OD1-NZ 2.68Å; D6-K603 WeakPolarHBondContact OD2-CE 3.26Å; D6-K603 IonicContact OD2-NZ 2.66Å; D6-K603 PolarHBondContact OD2-NZ 3.39Å; S8-K603 VanDerWaalsContact OG-CD 3.3Å; S8-K603 WeakPolarHBondContact OG-CD 3.47Å; S8-K603 WeakPolarHBondContact OG-CE 3.39Å; S8-K603 PolarHBondContact OG-NZ 2.74Å; K603-N605 PolarHBondContact O-N 2.89Å; K603-N605 VanDerWaalsContact O-N 3.13Å; K603-L606 WeakPolarHBondContact O-CG 3.44Å; K603-L606 PolarHBondContact O-N 3.23Å; K603-I617 HydrophobicContact CB-CD1 3.97Å; K603-I617 HydrophobicContact CG-CD1 4.35Å
604	S	89.8	Confident	94.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-65.4	-13.9	178.7	74.7	0	0	0	0	114.8	S8 R12 E602 R608	S8-S604 VanDerWaalsContact O-CA 3.26Å; S8-S604 WeakPolarHBondContact O-CA 3.23Å; S8-S604 PolarHBondContact O-N 2.68Å; R12-S604 PolarHBondContact NH1-OG 2.83Å; R12-S604 PolarHBondContact NH2-OG 3.04Å; R12-S604 VanDerWaalsContact NH2-OG 3.11Å; E602-S604 PolarHBondContact O-N 2.93Å; E602-S604 PolarHBondContact OE2-OG 2.94Å; S604-R608 PolarHBondContact O-NH1 3.13Å
605	N	93.5	Very high	94.2	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.032	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-80.3	-32.7	-179.1	-63.7	174.2	0	0	0	111.2	E602 K603 N607 R608 Q609 K621	E602-N605 PolarHBondContact N-OD1 2.83Å; E602-N605 WeakPolarHBondContact O-CB 3.2Å; E602-N605 PolarHBondContact O-N 3.11Å; K603-N605 PolarHBondContact O-N 2.89Å; K603-N605 VanDerWaalsContact O-N 3.13Å; N605-N607 PolarHBondContact O-N 3.47Å; N605-N607 VanDerWaalsContact O-N 3.14Å; N605-R608 PolarHBondContact O-N 3.07Å; N605-Q609 HydrophobicContact CB-CB 4.44Å; N605-Q609 HydrophobicContact CB-CG 4.45Å; N605-Q609 VanDerWaalsContact CB-OE1 3.32Å; N605-Q609 WeakPolarHBondContact O-CB 3.46Å; N605-Q609 PolarHBondContact O-N 2.87Å; N605-K621 VanDerWaalsContact OD1-CE 3.23Å; N605-K621 WeakPolarHBondContact OD1-CE 3.14Å
606	L	94.5	Very high	94	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.7	-170.8	-57.1	-179.6	0	0	0	113.3	L9 L48 I601 K603 R608 F612 I617	L9-L606 HydrophobicContact CD1-CB 3.87Å; L48-L606 VanDerWaalsContact CD2-O 3.32Å; L48-L606 WeakPolarHBondContact CD2-O 3.46Å; I601-L606 HydrophobicContact CG2-CD2 4.27Å; K603-L606 WeakPolarHBondContact O-CG 3.44Å; K603-L606 PolarHBondContact O-N 3.23Å; L606-R608 PolarHBondContact O-N 3.02Å; L606-R608 VanDerWaalsContact O-N 3.14Å; L606-F612 HydrophobicContact CD2-CB 3.67Å; L606-I617 HydrophobicContact CD1-CD1 4.3Å
607	N	93.8	Very high	93.7	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.6	176.9	164.8	-104.3	0	0	0	114.3	L9 Y10 Q13 L48 N605	L9-N607 HydrophobicContact CD1-CB 4.14Å; L9-N607 HydrophobicContact CG-CB 4.44Å; L9-N607 WeakPolarHBondContact O-CB 3.46Å; Y10-N607 WeakPolarHBondContact CD1-ND2 3.39Å; Q13-N607 PolarHBondContact OE1-ND2 3.4Å; L48-N607 WeakPolarHBondContact CB-O 3.47Å; L48-N607 PolarHBondContact O-ND2 3.08Å; N605-N607 PolarHBondContact O-N 3.47Å; N605-N607 VanDerWaalsContact O-N 3.14Å
608	R	95.1	Very high	93.5	Very high	25 Å²	25	41.7 Å²	41.7	9%	0.094	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.5	-3.6	178.9	67.7	-171.9	172.9	-67.2	-8	115.4	A456 S604 N605 L606 A1165	A456-R608 HydrophobicContact CB-CB 4.4Å; A456-R608 HydrophobicContact CB-CG 3.8Å; S604-R608 PolarHBondContact O-NH1 3.13Å; N605-R608 PolarHBondContact O-N 3.07Å; L606-R608 PolarHBondContact O-N 3.02Å; L606-R608 VanDerWaalsContact O-N 3.14Å; R608-A1165 HydrophobicContact CB-CB 4.31Å
609	Q	96.1	Very high	93.5	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.028	24%	0.236	C	C	.	.			trans	-114.7	69.7	179.7	-66.7	170.7	24.5	0	0	108.7	A456 N605 L611 F612	A456-Q609 HydrophobicContact CB-CG 4.27Å; N605-Q609 HydrophobicContact CB-CB 4.44Å; N605-Q609 HydrophobicContact CB-CG 4.45Å; N605-Q609 VanDerWaalsContact CB-OE1 3.32Å; N605-Q609 WeakPolarHBondContact O-CB 3.46Å; N605-Q609 PolarHBondContact O-N 2.87Å; Q609-L611 PolarHBondContact O-N 2.83Å; Q609-L611 VanDerWaalsContact O-N 3.07Å; Q609-F612 HydrophobicContact CB-CD2 3.45Å; Q609-F612 VanDerWaalsContact CB-CD2 3.45Å; Q609-F612 HydrophobicContact CB-CE2 3.65Å; Q609-F612 HydrophobicContact CB-CG 4.42Å; Q609-F612 HydrophobicContact CG-CD2 4.42Å; Q609-F612 HydrophobicContact CG-CE2 4.24Å; Q609-F612 WeakPolarHBondContact O-CB 3.5Å; Q609-F612 PolarHBondContact O-N 3.46Å
610	F	96.2	Very high	93.6	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13	-164.9	84	-85	0	0	0	115.2	K44 L48 F71 L95 E460 K463 F612	K44-F610 HydrophobicContact CD-CB 4.39Å; K44-F610 HydrophobicContact CD-CD1 3.94Å; K44-F610 HydrophobicContact CD-CD2 4.15Å; K44-F610 HydrophobicContact CD-CE1 4.26Å; K44-F610 HydrophobicContact CD-CE2 4.45Å; K44-F610 HydrophobicContact CD-CG 3.89Å; K44-F610 HydrophobicContact CG-CB 4.39Å; K44-F610 HydrophobicContact CG-CD2 4.4Å; K44-F610 HydrophobicContact CG-CG 4.29Å; L48-F610 HydrophobicContact CD1-CB 3.83Å; L48-F610 HydrophobicContact CD2-CB 4.48Å; F71-F610 AromaticContact CD2-CE2 3.89Å; F71-F610 HydrophobicContact CD2-CE2 3.89Å; F71-F610 HydrophobicContact CE2-CD2 4.33Å; F71-F610 AromaticContact CE2-CE2 3.79Å; F71-F610 HydrophobicContact CE2-CE2 3.79Å; F71-F610 HydrophobicContact CZ-CE2 4.34Å; L95-F610 HydrophobicContact CD2-CB 4.05Å; L95-F610 HydrophobicContact CD2-CD2 4.44Å; E460-F610 WeakPolarHBondContact OE1-CD1 3.22Å; E460-F610 WeakPolarHBondContact OE1-CE1 3.45Å; K463-F610 HydrophobicContact CB-CE1 4.3Å; K463-F610 HydrophobicContact CB-CZ 3.85Å; K463-F610 HydrophobicContact CD-CE1 4.19Å; K463-F610 HydrophobicContact CD-CZ 3.74Å; K463-F610 HydrophobicContact CG-CZ 3.82Å; F610-F612 PolarHBondContact O-N 2.96Å
611	L	96.9	Very high	93.8	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8	172	-60.5	-175.6	0	0	0	112.7	C459 L462 Q609 A625 T628 I632	C459-L611 HydrophobicContact CB-CB 4.44Å; C459-L611 HydrophobicContact CB-CD1 3.92Å; C459-L611 HydrophobicContact CB-CG 3.94Å; L462-L611 HydrophobicContact CB-CD1 4.38Å; Q609-L611 PolarHBondContact O-N 2.83Å; Q609-L611 VanDerWaalsContact O-N 3.07Å; L611-A625 HydrophobicContact CD1-CB 4.09Å; L611-T628 HydrophobicContact CB-CG2 4.13Å; L611-T628 HydrophobicContact CD2-CG2 3.86Å; L611-T628 PolarHBondContact O-OG1 2.95Å; L611-I632 HydrophobicContact CD2-CD1 4.16Å
612	F	95.9	Very high	94	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.035	21%	0.207	C	C	.	.			trans	-107.5	152.3	-179.2	-50	-31.5	0	0	0	111.4	C459 I601 L606 Q609 F610 K621 I624 A625	C459-F612 VanDerWaalsContact SG-CZ 3.53Å; I601-F612 HydrophobicContact CD1-CB 4.2Å; I601-F612 HydrophobicContact CD1-CD1 3.59Å; I601-F612 HydrophobicContact CD1-CD2 4.11Å; I601-F612 HydrophobicContact CD1-CE1 3.97Å; I601-F612 HydrophobicContact CD1-CE2 4.43Å; I601-F612 HydrophobicContact CD1-CG 3.69Å; I601-F612 HydrophobicContact CD1-CZ 4.39Å; I601-F612 HydrophobicContact CG1-CD1 4.2Å; I601-F612 HydrophobicContact CG1-CD2 3.83Å; I601-F612 HydrophobicContact CG1-CE1 4.38Å; I601-F612 HydrophobicContact CG1-CE2 4.01Å; I601-F612 HydrophobicContact CG1-CG 3.95Å; I601-F612 HydrophobicContact CG1-CZ 4.31Å; I601-F612 HydrophobicContact CG2-CB 4.04Å; I601-F612 HydrophobicContact CG2-CD2 4.09Å; I601-F612 HydrophobicContact CG2-CG 4.2Å; L606-F612 HydrophobicContact CD2-CB 3.67Å; Q609-F612 HydrophobicContact CB-CD2 3.45Å; Q609-F612 VanDerWaalsContact CB-CD2 3.45Å; Q609-F612 HydrophobicContact CB-CE2 3.65Å; Q609-F612 HydrophobicContact CB-CG 4.42Å; Q609-F612 HydrophobicContact CG-CD2 4.42Å; Q609-F612 HydrophobicContact CG-CE2 4.24Å; Q609-F612 WeakPolarHBondContact O-CB 3.5Å; Q609-F612 PolarHBondContact O-N 3.46Å; F610-F612 PolarHBondContact O-N 2.96Å; F612-K621 WeakPolarHBondContact CE1-O 3.16Å; F612-K621 HydrophobicContact CE2-CB 4.24Å; F612-K621 HydrophobicContact CE2-CD 4.44Å; F612-K621 HydrophobicContact CE2-CG 3.99Å; F612-K621 HydrophobicContact CZ-CB 3.88Å; F612-K621 HydrophobicContact CZ-CG 4.14Å; F612-I624 HydrophobicContact CD1-CB 4.3Å; F612-I624 HydrophobicContact CD1-CG2 3.76Å; F612-I624 HydrophobicContact CE1-CB 4.25Å; F612-I624 HydrophobicContact CE1-CG2 4.15Å; F612-A625 HydrophobicContact CE1-CB 3.87Å; F612-A625 HydrophobicContact CZ-CB 4.21Å
613	Q	92.5	Very high	94.3	Very high	75 Å²	75	37.3 Å²	37.3	35%	0.35	21%	0.211	S	C	.	.			trans	-130.5	164.5	178.7	-68.4	-176.1	-29.3	0	0	108.7	C615 H616	Q613-C615 PolarHBondContact O-N 2.84Å; Q613-C615 VanDerWaalsContact O-N 3.12Å; Q613-H616 PolarHBondContact N-ND1 3.31Å; Q613-H616 VanDerWaalsContact N-ND1 3.18Å; Q613-H616 WeakPolarHBondContact O-CB 3.47Å; Q613-H616 PolarHBondContact O-N 2.9Å
614	S	90.3	Very high	94.7	Very high	84 Å²	84	34.3 Å²	34.3	59%	0.587	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-56	-30.8	-178.8	-55.1	0	0	0	0	113.7	H616 I617	S614-H616 PolarHBondContact O-N 2.87Å; S614-I617 WeakPolarHBondContact O-CD1 3.44Å; S614-I617 WeakPolarHBondContact O-CG1 3.35Å
615	C	92.3	Very high	95.1	Very high	93 Å²	93	34.2 Å²	34.2	63%	0.628	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-71	-14.1	176	58.4	0	0	0	0	114.3	Q613	Q613-C615 PolarHBondContact O-N 2.84Å; Q613-C615 VanDerWaalsContact O-N 3.12Å
616	H	94.5	Very high	95.3	Very high	26 Å²	26	34 Å²	34	12%	0.12	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-93	-2	-179.6	-54.4	147.7	0	0	0	113.5	I601 Q613 S614 G618 L619 I624	I601-H616 HydrophobicContact CD1-CB 3.72Å; Q613-H616 PolarHBondContact N-ND1 3.31Å; Q613-H616 VanDerWaalsContact N-ND1 3.18Å; Q613-H616 WeakPolarHBondContact O-CB 3.47Å; Q613-H616 PolarHBondContact O-N 2.9Å; S614-H616 PolarHBondContact O-N 2.87Å; H616-G618 PolarHBondContact O-N 3.03Å; H616-L619 HydrophobicContact CB-CD1 4.47Å; H616-L619 VanDerWaalsContact O-CB 3.3Å; H616-L619 WeakPolarHBondContact O-CB 3.48Å; H616-L619 WeakPolarHBondContact O-CG 3.27Å; H616-L619 PolarHBondContact O-N 2.8Å; H616-I624 HydrophobicContact CB-CG2 4.22Å
617	I	92	Very high	95.4	Very high	76 Å²	76	36.5 Å²	36.5	39%	0.39	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	132.4	-179.7	-66	170.3	0	0	0	110.1	I601 K603 L606 S614 L619	I601-I617 CarbonylContact O-C 3.53Å; I601-I617 WeakPolarHBondContact O-CA 3.39Å; K603-I617 HydrophobicContact CB-CD1 3.97Å; K603-I617 HydrophobicContact CG-CD1 4.35Å; L606-I617 HydrophobicContact CD1-CD1 4.3Å; S614-I617 WeakPolarHBondContact O-CD1 3.44Å; S614-I617 WeakPolarHBondContact O-CG1 3.35Å; I617-L619 VanDerWaalsContact C-N 3.35Å
618	G	91	Very high	95.5	Very high	47 Å²	47	37.2 Å²	37.2	49%	0.485	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-4.8	-176.6	0	0	0	0	0	115	H600 I601 H616	H600-G618 PolarHBondContact CD2-O 3.01Å; H600-G618 VanDerWaalsContact CD2-O 3.24Å; I601-G618 PolarHBondContact O-N 3.01Å; H616-G618 PolarHBondContact O-N 3.03Å
619	L	96	Very high	95.6	Very high	82 Å²	82	36 Å²	36	43%	0.429	21%	0.211	S	C	.	.	S	Bend	trans	-92.7	163.8	175.6	-53.2	-177.9	0	0	0	111.8	H600 I601 H616 I617 I624	H600-L619 CarbonylContact C-O 3.19Å; H600-L619 WeakPolarHBondContact CA-O 3.14Å; I601-L619 PolarHBondContact N-O 3.28Å; H616-L619 HydrophobicContact CB-CD1 4.47Å; H616-L619 VanDerWaalsContact O-CB 3.3Å; H616-L619 WeakPolarHBondContact O-CB 3.48Å; H616-L619 WeakPolarHBondContact O-CG 3.27Å; H616-L619 PolarHBondContact O-N 2.8Å; I617-L619 VanDerWaalsContact C-N 3.35Å; L619-I624 HydrophobicContact CB-CD1 4.31Å; L619-I624 HydrophobicContact CB-CG1 3.98Å; L619-I624 HydrophobicContact CD1-CD1 3.89Å; L619-I624 HydrophobicContact CD1-CG1 4.39Å
620	S	97	Very high	95.6	Very high	32 Å²	32	40 Å²	40	22%	0.224	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-64.7	130.5	179.5	168.8	0	0	0	0	112.3	S622 I624	S620-S622 PolarHBondContact OG-OG 3.37Å; S620-I624 WeakPolarHBondContact O-CG1 3.3Å; S620-I624 PolarHBondContact O-N 3.34Å
621	K	97.8	Very high	95.5	Very high	13 Å²	13	46 Å²	46	6%	0.057	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-51.6	177.6	-70.6	-177.2	-171.5	158.5	0	112.3	C454 D599 H600 I601 N605 F612 Q623 I624 A625	C454-K621 HydrophobicContact CB-CB 4.43Å; D599-K621 HydrophobicContact CB-CD 3.85Å; D599-K621 HydrophobicContact CB-CG 4.48Å; D599-K621 VanDerWaalsContact CB-NZ 3.25Å; D599-K621 PolarHBondContact O-N 3.45Å; D599-K621 VanDerWaalsContact O-N 3.15Å; D599-K621 IonicContact OD2-NZ 3.41Å; D599-K621 PolarHBondContact OD2-NZ 2.89Å; H600-K621 VanDerWaalsContact O-CE 3.28Å; H600-K621 WeakPolarHBondContact O-CE 3.29Å; I601-K621 HydrophobicContact CG1-CB 4.43Å; I601-K621 HydrophobicContact CG1-CG 3.76Å; N605-K621 VanDerWaalsContact OD1-CE 3.23Å; N605-K621 WeakPolarHBondContact OD1-CE 3.14Å; F612-K621 WeakPolarHBondContact CE1-O 3.16Å; F612-K621 HydrophobicContact CE2-CB 4.24Å; F612-K621 HydrophobicContact CE2-CD 4.44Å; F612-K621 HydrophobicContact CE2-CG 3.99Å; F612-K621 HydrophobicContact CZ-CB 3.88Å; F612-K621 HydrophobicContact CZ-CG 4.14Å; K621-Q623 PolarHBondContact O-N 3.07Å; K621-I624 PolarHBondContact O-N 2.92Å; K621-A625 VanDerWaalsContact O-CB 3.28Å; K621-A625 WeakPolarHBondContact O-CB 3.28Å; K621-A625 PolarHBondContact O-N 2.99Å
622	S	97.4	Very high	95.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-41.4	-175	57.9	0	0	0	0	112.2	S620 C626 A640 M641	S620-S622 PolarHBondContact OG-OG 3.37Å; S622-C626 WeakPolarHBondContact O-CB 3.35Å; S622-C626 PolarHBondContact O-N 3.3Å; S622-C626 VanDerWaalsContact O-N 3.09Å; S622-C626 PolarHBondContact O-SG 2.85Å; S622-A640 WeakPolarHBondContact O-CB 3.23Å; S622-M641 WeakPolarHBondContact CB-O 3.39Å; S622-M641 PolarHBondContact OG-O 2.78Å
623	Q	97.8	Very high	95.4	Very high	85 Å²	85	46 Å²	46	40%	0.397	25%	0.25	S	S	.	.	H	α-helix	trans	-63.6	-54.3	178.3	-176.2	59.4	47.6	0	0	111.3	K621 A625 C626 D627 A640	K621-Q623 PolarHBondContact O-N 3.07Å; Q623-A625 VanDerWaalsContact C-N 3.32Å; Q623-A625 PolarHBondContact O-N 2.8Å; Q623-C626 PolarHBondContact O-N 2.68Å; Q623-D627 VanDerWaalsContact NE2-CG 3.3Å; Q623-D627 PolarHBondContact NE2-OD1 3.3Å; Q623-D627 VanDerWaalsContact NE2-OD1 3.14Å; Q623-D627 PolarHBondContact NE2-OD2 3.02Å; Q623-D627 PolarHBondContact O-N 3.1Å; Q623-A640 HydrophobicContact CB-CB 4.33Å
624	I	98	Very high	95.4	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-38.5	-177.7	-62.2	-61	0	0	0	111.3	I601 F612 H616 L619 S620 K621 D627 T628	I601-I624 HydrophobicContact CD1-CB 3.87Å; I601-I624 HydrophobicContact CD1-CG1 3.88Å; I601-I624 HydrophobicContact CD1-CG2 4.02Å; F612-I624 HydrophobicContact CD1-CB 4.3Å; F612-I624 HydrophobicContact CD1-CG2 3.76Å; F612-I624 HydrophobicContact CE1-CB 4.25Å; F612-I624 HydrophobicContact CE1-CG2 4.15Å; H616-I624 HydrophobicContact CB-CG2 4.22Å; L619-I624 HydrophobicContact CB-CD1 4.31Å; L619-I624 HydrophobicContact CB-CG1 3.98Å; L619-I624 HydrophobicContact CD1-CD1 3.89Å; L619-I624 HydrophobicContact CD1-CG1 4.39Å; S620-I624 WeakPolarHBondContact O-CG1 3.3Å; S620-I624 PolarHBondContact O-N 3.34Å; K621-I624 PolarHBondContact O-N 2.92Å; I624-D627 PolarHBondContact O-N 3.3Å; I624-T628 WeakPolarHBondContact O-CB 3.5Å; I624-T628 PolarHBondContact O-N 3Å; I624-T628 PolarHBondContact O-OG1 3.09Å; I624-T628 VanDerWaalsContact O-OG1 3.04Å
625	A	98.2	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-44.1	176.4	0	0	0	0	0	111.9	C454 L462 L611 F612 K621 Q623 D627 T628 V629	C454-A625 WeakPolarHBondContact SG-CB 3.5Å; L462-A625 HydrophobicContact CD1-CB 3.77Å; L611-A625 HydrophobicContact CD1-CB 4.09Å; F612-A625 HydrophobicContact CE1-CB 3.87Å; F612-A625 HydrophobicContact CZ-CB 4.21Å; K621-A625 VanDerWaalsContact O-CB 3.28Å; K621-A625 WeakPolarHBondContact O-CB 3.28Å; K621-A625 PolarHBondContact O-N 2.99Å; Q623-A625 VanDerWaalsContact C-N 3.32Å; Q623-A625 PolarHBondContact O-N 2.8Å; A625-D627 VanDerWaalsContact C-N 3.34Å; A625-D627 PolarHBondContact O-N 2.83Å; A625-T628 PolarHBondContact O-N 2.9Å; A625-V629 WeakPolarHBondContact O-CB 3.31Å; A625-V629 PolarHBondContact O-N 2.83Å
626	C	98	Very high	95.7	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-36.6	176.3	-70.2	0	0	0	0	112.4	S622 Q623 V629 K630 V638 A640	S622-C626 WeakPolarHBondContact O-CB 3.35Å; S622-C626 PolarHBondContact O-N 3.3Å; S622-C626 VanDerWaalsContact O-N 3.09Å; S622-C626 PolarHBondContact O-SG 2.85Å; Q623-C626 PolarHBondContact O-N 2.68Å; C626-V629 WeakPolarHBondContact O-CG1 3.11Å; C626-K630 WeakPolarHBondContact O-CG 3.12Å; C626-K630 PolarHBondContact O-N 2.81Å; C626-V638 HydrophobicContact CB-CB 4.33Å; C626-V638 HydrophobicContact CB-CG2 3.86Å; C626-A640 HydrophobicContact CB-CB 4.2Å
627	D	97	Very high	95.8	Very high	63 Å²	63	42 Å²	42	34%	0.337	23%	0.232	S	C	.	.	H	α-helix	trans	-73.3	-37	177.6	-66.3	-26.2	0	0	0	112	Q623 I624 A625	Q623-D627 VanDerWaalsContact NE2-CG 3.3Å; Q623-D627 PolarHBondContact NE2-OD1 3.3Å; Q623-D627 VanDerWaalsContact NE2-OD1 3.14Å; Q623-D627 PolarHBondContact NE2-OD2 3.02Å; Q623-D627 PolarHBondContact O-N 3.1Å; I624-D627 PolarHBondContact O-N 3.3Å; A625-D627 VanDerWaalsContact C-N 3.34Å; A625-D627 PolarHBondContact O-N 2.83Å
628	T	96.1	Very high	95.9	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-40.4	174.6	-60.8	0	0	0	0	111.6	L611 I624 A625 K630 R631	L611-T628 HydrophobicContact CB-CG2 4.13Å; L611-T628 HydrophobicContact CD2-CG2 3.86Å; L611-T628 PolarHBondContact O-OG1 2.95Å; I624-T628 WeakPolarHBondContact O-CB 3.5Å; I624-T628 PolarHBondContact O-N 3Å; I624-T628 PolarHBondContact O-OG1 3.09Å; I624-T628 VanDerWaalsContact O-OG1 3.04Å; A625-T628 PolarHBondContact O-N 2.9Å; T628-K630 VanDerWaalsContact C-N 3.31Å; T628-K630 PolarHBondContact O-N 3.16Å; T628-R631 WeakPolarHBondContact O-CB 3.48Å; T628-R631 PolarHBondContact O-N 3.42Å; T628-R631 PolarHBondContact OG1-NH2 3.31Å
629	V	96.7	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.4	-29.8	-177.6	84.9	0	0	0	0	112.9	L462 A466 A625 C626 R631 I632 N633 I636 V638	L462-V629 HydrophobicContact CB-CG2 4.26Å; L462-V629 WeakPolarHBondContact O-CG2 3.41Å; A466-V629 HydrophobicContact CB-CG2 3.39Å; A625-V629 WeakPolarHBondContact O-CB 3.31Å; A625-V629 PolarHBondContact O-N 2.83Å; C626-V629 WeakPolarHBondContact O-CG1 3.11Å; V629-R631 PolarHBondContact O-N 2.84Å; V629-I632 HydrophobicContact CG2-CD1 4.36Å; V629-I632 WeakPolarHBondContact O-CA 3.34Å; V629-I632 WeakPolarHBondContact O-CB 3.21Å; V629-I632 PolarHBondContact O-N 3.18Å; V629-N633 PolarHBondContact O-N 2.9Å; V629-I636 HydrophobicContact CG1-CD1 4.27Å; V629-I636 HydrophobicContact CG1-CG2 4.15Å; V629-I636 HydrophobicContact CG2-CD1 4.32Å; V629-V638 HydrophobicContact CG1-CG1 4.03Å; V629-V638 HydrophobicContact CG1-CG2 4.21Å
630	K	96	Very high	96.2	Very high	89 Å²	89	38 Å²	38	39%	0.387	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-23.2	170.6	-74.5	174.1	-178.8	171.6	0	113.2	C626 T628 N633 P634 I636 V638	C626-K630 WeakPolarHBondContact O-CG 3.12Å; C626-K630 PolarHBondContact O-N 2.81Å; T628-K630 VanDerWaalsContact C-N 3.31Å; T628-K630 PolarHBondContact O-N 3.16Å; K630-N633 CarbonylContact O-C 3.51Å; K630-N633 VanDerWaalsContact O-C 3.31Å; K630-P634 VanDerWaalsContact O-CA 3.23Å; K630-P634 WeakPolarHBondContact O-CA 3.39Å; K630-P634 VanDerWaalsContact O-N 3.14Å; K630-I636 HydrophobicContact CG-CG2 4.02Å; K630-V638 HydrophobicContact CD-CG2 4.31Å; K630-V638 VanDerWaalsContact CE-CG2 3.44Å; K630-V638 HydrophobicContact CG-CG2 4.05Å
631	R	93.2	Very high	96.2	Very high	142 Å²	142	37.3 Å²	37.3	54%	0.536	19%	0.192	S	C	.	.	H	α-helix	trans	-77.5	-23.4	172.4	-64.3	-179.1	-97.3	164.2	-5.8	112.8	T628 V629	T628-R631 WeakPolarHBondContact O-CB 3.48Å; T628-R631 PolarHBondContact O-N 3.42Å; T628-R631 PolarHBondContact OG1-NH2 3.31Å; V629-R631 PolarHBondContact O-N 2.84Å
632	I	95.3	Very high	96.1	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.062	21%	0.212	C	C	.	.	H	α-helix	trans	-80.4	-45.2	173.6	-59.7	171.4	0	0	0	109.7	F71 R428 K463 A466 L467 L611 V629	F71-I632 HydrophobicContact CB-CD1 4.07Å; F71-I632 HydrophobicContact CB-CG1 4.32Å; F71-I632 HydrophobicContact CB-CG2 4.1Å; R428-I632 PolarHBondContact NH1-O 3.12Å; R428-I632 PolarHBondContact NH2-O 2.87Å; K463-I632 HydrophobicContact CB-CD1 4.49Å; K463-I632 HydrophobicContact CG-CD1 4.38Å; A466-I632 HydrophobicContact CB-CG2 4.27Å; L467-I632 HydrophobicContact CD2-CG2 3.94Å; L467-I632 HydrophobicContact CG-CG2 4.44Å; L611-I632 HydrophobicContact CD2-CD1 4.16Å; V629-I632 HydrophobicContact CG2-CD1 4.36Å; V629-I632 WeakPolarHBondContact O-CA 3.34Å; V629-I632 WeakPolarHBondContact O-CB 3.21Å; V629-I632 PolarHBondContact O-N 3.18Å
633	N	95.6	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.			trans	-137.3	100.1	174.9	-168.9	-11.4	0	0	0	111.4	R428 Y429 A466 V629 K630 S635 I636	R428-N633 PolarHBondContact NH1-OD1 2.82Å; Y429-N633 PolarHBondContact OH-ND2 3.43Å; A466-N633 HydrophobicContact CB-CB 4.08Å; A466-N633 PolarHBondContact O-ND2 2.89Å; V629-N633 PolarHBondContact O-N 2.9Å; K630-N633 CarbonylContact O-C 3.51Å; K630-N633 VanDerWaalsContact O-C 3.31Å; N633-S635 PolarHBondContact O-N 3.48Å; N633-S635 PolarHBondContact OD1-N 3.36Å; N633-I636 HydrophobicContact CB-CB 4.31Å; N633-I636 WeakPolarHBondContact O-CB 3.38Å; N633-I636 WeakPolarHBondContact O-CG2 3.22Å; N633-I636 PolarHBondContact O-N 3.14Å; N633-I636 VanDerWaalsContact O-N 3.11Å
634	P	94.3	Very high	95.8	Very high	105 Å²	105	43.2 Å²	43.2	68%	0.682	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.3	-180	-27	36	0	0	0	114.5	K630 I636	K630-P634 VanDerWaalsContact O-CA 3.23Å; K630-P634 WeakPolarHBondContact O-CA 3.39Å; K630-P634 VanDerWaalsContact O-N 3.14Å; P634-I636 VanDerWaalsContact C-N 3.26Å; P634-I636 PolarHBondContact O-N 2.97Å
635	S	93.7	Very high	95.6	Very high	37 Å²	37	42.4 Å²	42.4	26%	0.259	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.4	-179.7	-47.7	0	0	0	0	113.5	N633 S637	N633-S635 PolarHBondContact O-N 3.48Å; N633-S635 PolarHBondContact OD1-N 3.36Å; S635-S637 PolarHBondContact O-N 2.64Å
636	I	95	Very high	95.5	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.041	24%	0.244	C	C	.	.			trans	-71.9	127.6	-176.9	-156.8	-178.5	0	0	0	111.8	A466 I593 V629 K630 N633 P634 V638	A466-I636 HydrophobicContact CB-CD1 3.66Å; I593-I636 HydrophobicContact CD1-CD1 3.66Å; I593-I636 HydrophobicContact CD1-CG1 3.93Å; V629-I636 HydrophobicContact CG1-CD1 4.27Å; V629-I636 HydrophobicContact CG1-CG2 4.15Å; V629-I636 HydrophobicContact CG2-CD1 4.32Å; K630-I636 HydrophobicContact CG-CG2 4.02Å; N633-I636 HydrophobicContact CB-CB 4.31Å; N633-I636 WeakPolarHBondContact O-CB 3.38Å; N633-I636 WeakPolarHBondContact O-CG2 3.22Å; N633-I636 PolarHBondContact O-N 3.14Å; N633-I636 VanDerWaalsContact O-N 3.11Å; P634-I636 VanDerWaalsContact C-N 3.26Å; P634-I636 PolarHBondContact O-N 2.97Å; I636-V638 HydrophobicContact CD1-CG1 3.79Å; I636-V638 HydrophobicContact CG1-CG1 3.95Å; I636-V638 HydrophobicContact CG2-CG1 4.16Å; I636-V638 HydrophobicContact CG2-CG2 4.37Å
637	S	95.2	Very high	95.2	Very high	46 Å²	46	49.1 Å²	49.1	32%	0.322	26%	0.26	S	S	.	.			trans	-88.2	107.6	171.4	-173	0	0	0	0	109.5	A471 P591 N592 I593 S635	A471-S637 WeakPolarHBondContact O-CB 3.16Å; A471-S637 PolarHBondContact O-N 3.48Å; P591-S637 WeakPolarHBondContact O-CB 3.15Å; P591-S637 PolarHBondContact O-OG 2.87Å; N592-S637 PolarHBondContact OD1-O 2.84Å; N592-S637 PolarHBondContact OD1-OG 3.06Å; I593-S637 PolarHBondContact N-O 2.86Å; S635-S637 PolarHBondContact O-N 2.64Å
638	V	95.9	Very high	94.9	Very high	16 Å²	16	52.5 Å²	52.5	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.1	179.1	-68.6	0	0	0	0	111.8	L462 N592 I593 C626 V629 K630 I636	L462-V638 HydrophobicContact CD2-CG1 4.48Å; N592-V638 WeakPolarHBondContact OD1-CA 3.24Å; N592-V638 PolarHBondContact OD1-N 3.39Å; I593-V638 HydrophobicContact CB-CG1 3.92Å; I593-V638 HydrophobicContact CD1-CG1 4.15Å; I593-V638 HydrophobicContact CG2-CG1 4.41Å; I593-V638 CarbonylContact O-C 3.48Å; I593-V638 VanDerWaalsContact O-CA 3.29Å; I593-V638 WeakPolarHBondContact O-CA 3.37Å; C626-V638 HydrophobicContact CB-CB 4.33Å; C626-V638 HydrophobicContact CB-CG2 3.86Å; V629-V638 HydrophobicContact CG1-CG1 4.03Å; V629-V638 HydrophobicContact CG1-CG2 4.21Å; K630-V638 HydrophobicContact CD-CG2 4.31Å; K630-V638 VanDerWaalsContact CE-CG2 3.44Å; K630-V638 HydrophobicContact CG-CG2 4.05Å; I636-V638 HydrophobicContact CD1-CG1 3.79Å; I636-V638 HydrophobicContact CG1-CG1 3.95Å; I636-V638 HydrophobicContact CG2-CG1 4.16Å; I636-V638 HydrophobicContact CG2-CG2 4.37Å
639	R	95.8	Very high	94.8	Very high	79 Å²	79	52.6 Å²	52.6	30%	0.298	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	174.2	178.2	-179	179.6	176.6	1.1	110.6	N592 I593 T594 V595	N592-R639 WeakPolarHBondContact ND2-CB 3.48Å; I593-R639 PolarHBondContact O-N 3.49Å; T594-R639 WeakPolarHBondContact CA-O 2.85Å; T594-R639 HydrophobicContact CG2-CB 4.46Å; T594-R639 HydrophobicContact CG2-CG 4.47Å; V595-R639 PolarHBondContact N-O 2.8Å
640	A	97.2	Very high	94.5	Very high	24 Å²	24	55.4 Å²	55.4	20%	0.198	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.1	173.4	0	0	0	0	0	112	V595 S622 Q623 C626	V595-A640 CarbonylContact O-C 3.53Å; S622-A640 WeakPolarHBondContact O-CB 3.23Å; Q623-A640 HydrophobicContact CB-CB 4.33Å; C626-A640 HydrophobicContact CB-CB 4.2Å
641	M	97.2	Very high	94	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.089	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143	172.3	-63.3	-179	66.7	0	0	109.8	T594 V595 T596 D597 S622 I653 F654 F658	T594-M641 HydrophobicContact CG2-CG 4.33Å; T594-M641 HydrophobicContact CG2-SD 3.71Å; V595-M641 PolarHBondContact O-N 3.01Å; T596-M641 WeakPolarHBondContact CA-O 3.32Å; T596-M641 WeakPolarHBondContact OG1-CB 3.33Å; D597-M641 PolarHBondContact N-O 2.88Å; D597-M641 VanDerWaalsContact N-O 3.1Å; S622-M641 WeakPolarHBondContact CB-O 3.39Å; S622-M641 PolarHBondContact OG-O 2.78Å; M641-I653 HydrophobicContact CE-CG2 3.45Å; M641-I653 VanDerWaalsContact CE-CG2 3.45Å; M641-F654 HydrophobicContact CE-CD1 4.48Å; M641-F654 HydrophobicContact CE-CE1 3.68Å; M641-F654 HydrophobicContact CE-CZ 4.01Å; M641-F654 HydrophobicContact SD-CE1 4.12Å; M641-F658 HydrophobicContact CE-CE2 4.37Å; M641-F658 HydrophobicContact CE-CZ 4.15Å; M641-F658 HydrophobicContact SD-CE1 4.49Å; M641-F658 HydrophobicContact SD-CE2 4.01Å; M641-F658 HydrophobicContact SD-CZ 3.55Å; M641-F658 VanDerWaalsContact SD-CZ 3.55Å
642	G	93.7	Very high	93.9	Very high	47 Å²	47	55.2 Å²	55.2	49%	0.485	31%	0.305	S	S	.	.			trans	-103.6	10.1	179.8	0	0	0	0	0	113.7	P598	P598-G642 WeakPolarHBondContact CA-O 3.37Å
643	D	95.4	Very high	93.7	Very high	65 Å²	65	56.8 Å²	56.8	35%	0.348	31%	0.313	S	S	.	.			trans	-92.5	138.1	-172.9	-63.3	-74.1	0	0	0	111.5	T596 F645 I653 F654	T596-D643 PolarHBondContact OG1-O 2.99Å; D643-F645 PolarHBondContact O-N 2.95Å; D643-I653 HydrophobicContact CB-CD1 3.88Å; D643-I653 HydrophobicContact CB-CG2 4.24Å; D643-I653 WeakPolarHBondContact OD1-CD1 3.47Å; D643-F654 HydrophobicContact CB-CE2 3.78Å; D643-F654 HydrophobicContact CB-CZ 3.84Å
644	K	94.6	Very high	93.6	Very high	112 Å²	112	56.9 Å²	56.9	49%	0.487	31%	0.314	S	S	.	.			trans	-70.6	125.8	175.2	-171.4	175	179.9	168.1	0	110.2	P598 W646 T649	P598-K644 HydrophobicContact CB-CB 4.17Å; P598-K644 HydrophobicContact CG-CB 4.11Å; P598-K644 HydrophobicContact CG-CG 4.29Å; K644-W646 HydrophobicContact CD-CB 4.5Å; K644-W646 HydrophobicContact CG-CB 4.22Å; K644-W646 PolarHBondContact O-N 3.12Å; K644-W646 VanDerWaalsContact O-N 3.13Å; K644-T649 WeakPolarHBondContact O-CG2 3.36Å; K644-T649 PolarHBondContact O-OG1 3.07Å
645	F	94.5	Very high	93.5	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	29%	0.292	C	S	.	.			trans	-73.8	97.9	172.9	-167.5	-89.6	0	0	0	110.2	F450 V452 T596 D643 F654 L659 Y698 L699 R702	F450-F645 AromaticContact CE1-CD2 4Å; F450-F645 HydrophobicContact CE1-CD2 4Å; F450-F645 AromaticContact CE1-CE2 3.7Å; F450-F645 HydrophobicContact CE1-CE2 3.7Å; F450-F645 HydrophobicContact CE1-CZ 4.49Å; F450-F645 AromaticContact CZ-CD2 3.91Å; F450-F645 HydrophobicContact CZ-CD2 3.91Å; F450-F645 AromaticContact CZ-CE2 3.96Å; F450-F645 HydrophobicContact CZ-CE2 3.96Å; V452-F645 HydrophobicContact CG1-CB 3.76Å; V452-F645 HydrophobicContact CG1-CG 4.13Å; T596-F645 HydrophobicContact CG2-CB 4.36Å; D643-F645 PolarHBondContact O-N 2.95Å; F645-F654 HydrophobicContact CB-CD2 4.45Å; F645-F654 HydrophobicContact CB-CE2 4.29Å; F645-F654 HydrophobicContact CD2-CB 3.97Å; F645-F654 AromaticContact CD2-CD1 3.78Å; F645-F654 HydrophobicContact CD2-CD1 3.78Å; F645-F654 AromaticContact CD2-CD2 3.76Å; F645-F654 HydrophobicContact CD2-CD2 3.76Å; F645-F654 HydrophobicContact CD2-CE1 4.21Å; F645-F654 HydrophobicContact CD2-CE2 4.2Å; F645-F654 AromaticContact CD2-CG 3.54Å; F645-F654 HydrophobicContact CD2-CG 3.54Å; F645-F654 HydrophobicContact CD2-CZ 4.4Å; F645-F654 HydrophobicContact CE2-CB 3.79Å; F645-F654 HydrophobicContact CE2-CD1 4.12Å; F645-F654 HydrophobicContact CE2-CD2 4.45Å; F645-F654 AromaticContact CE2-CG 3.87Å; F645-F654 HydrophobicContact CE2-CG 3.87Å; F645-F654 HydrophobicContact CG-CD2 4.43Å; F645-L659 HydrophobicContact CE2-CD1 4.14Å; F645-L659 HydrophobicContact CE2-CD2 3.82Å; F645-L659 HydrophobicContact CZ-CD1 4.1Å; F645-L659 HydrophobicContact CZ-CD2 4.45Å; F645-Y698 AromaticContact CD1-CD1 3.65Å; F645-Y698 HydrophobicContact CD1-CD1 3.65Å; F645-Y698 AromaticContact CD1-CE1 3.65Å; F645-Y698 HydrophobicContact CD1-CE1 3.65Å; F645-Y698 AromaticContact CE1-CD1 3.65Å; F645-Y698 HydrophobicContact CE1-CD1 3.65Å; F645-Y698 AromaticContact CE1-CE1 3.5Å; F645-Y698 HydrophobicContact CE1-CE1 3.5Å; F645-Y698 HydrophobicContact CZ-CE1 4.34Å; F645-L699 HydrophobicContact CD1-CD1 4.21Å; F645-L699 HydrophobicContact CE1-CB 4.29Å; F645-L699 HydrophobicContact CE1-CD1 3.64Å; F645-L699 HydrophobicContact CZ-CD1 3.84Å; F645-R702 HydrophobicContact CE1-CB 4.44Å; F645-R702 HydrophobicContact CE1-CG 4.16Å; F645-R702 HydrophobicContact CZ-CB 4.21Å; F645-R702 HydrophobicContact CZ-CG 4.17Å
646	W	94.6	Very high	93.3	Very high	87 Å²	87	53.8 Å²	53.8	33%	0.33	29%	0.29	S	S	.	.	S	Bend	trans	-156.1	163	-171.2	-159.3	-116.4	0	0	0	110.9	K644 N648 T649 E650 P694 Y698	K644-W646 HydrophobicContact CD-CB 4.5Å; K644-W646 HydrophobicContact CG-CB 4.22Å; K644-W646 PolarHBondContact O-N 3.12Å; K644-W646 VanDerWaalsContact O-N 3.13Å; W646-N648 PolarHBondContact O-N 3.38Å; W646-T649 PolarHBondContact N-OG1 2.86Å; W646-T649 PolarHBondContact O-N 2.85Å; W646-T649 PolarHBondContact O-OG1 2.86Å; W646-E650 PolarHBondContact O-N 3.13Å; W646-P694 HydrophobicContact CH2-CB 4.12Å; W646-P694 HydrophobicContact CZ3-CB 4.43Å; W646-Y698 VanDerWaalsContact CA-CE1 3.43Å; W646-Y698 HydrophobicContact CE3-CD1 4.37Å; W646-Y698 PolarHBondContact O-OH 2.92Å
647	P	92.4	Very high	93	Very high	57 Å²	57	60.1 Å²	60.1	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-50.9	-33.1	177.2	-32.7	36.5	0	0	0	115	T649 E650 Y698	P647-T649 PolarHBondContact O-N 3.38Å; P647-E650 WeakPolarHBondContact O-CB 3.43Å; P647-E650 PolarHBondContact O-N 3.48Å; P647-Y698 WeakPolarHBondContact CA-OH 3.1Å; P647-Y698 HydrophobicContact CB-CE2 4.35Å; P647-Y698 HydrophobicContact CG-CD2 3.85Å; P647-Y698 HydrophobicContact CG-CE2 3.52Å
648	N	91.5	Very high	92.9	Very high	133 Å²	133	58.3 Å²	58.3	71%	0.711	31%	0.305	S	S	*	.	H	α-helix	trans	-66.9	-19	-179.3	-67.7	15.6	0	0	0	113.9	W646	W646-N648 PolarHBondContact O-N 3.38Å
649	T	92.6	Very high	92.7	Very high	21 Å²	21	57.7 Å²	57.7	13%	0.129	30%	0.302	C	S	.	.	H	α-helix	trans	-108	-2.7	-179.4	48.6	0	0	0	0	112.6	K644 W646 P647 S652 I653 F654	K644-T649 WeakPolarHBondContact O-CG2 3.36Å; K644-T649 PolarHBondContact O-OG1 3.07Å; W646-T649 PolarHBondContact N-OG1 2.86Å; W646-T649 PolarHBondContact O-N 2.85Å; W646-T649 PolarHBondContact O-OG1 2.86Å; P647-T649 PolarHBondContact O-N 3.38Å; T649-S652 PolarHBondContact O-N 3.49Å; T649-I653 HydrophobicContact CG2-CD1 4.03Å; T649-I653 PolarHBondContact O-N 3.04Å; T649-F654 PolarHBondContact O-N 3.2Å; T649-F654 WeakPolarHBondContact OG1-CD2 3.41Å
650	E	90.7	Very high	92.4	Very high	59 Å²	59	57.5 Å²	57.5	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-46.1	-179	-170.9	177.6	173.9	0	0	112.5	W646 P647 S652 F654 T655 Y698 R702	W646-E650 PolarHBondContact O-N 3.13Å; P647-E650 WeakPolarHBondContact O-CB 3.43Å; P647-E650 PolarHBondContact O-N 3.48Å; E650-S652 PolarHBondContact O-N 3.39Å; E650-F654 CarbonylContact O-C 3.51Å; E650-T655 WeakPolarHBondContact O-CA 3.42Å; E650-T655 WeakPolarHBondContact O-CG2 3.43Å; E650-T655 PolarHBondContact O-N 3.28Å; E650-Y698 PolarHBondContact OE2-OH 2.85Å; E650-R702 IonicContact OE1-CZ 3.68Å; E650-R702 VanDerWaalsContact OE1-CZ 3.29Å; E650-R702 IonicContact OE1-NE 3.76Å; E650-R702 IonicContact OE1-NH1 3.86Å; E650-R702 PolarHBondContact OE1-NH1 2.95Å
651	K	85.9	Confident	91.9	Very high	149 Å²	149	58.5 Å²	58.5	65%	0.648	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.9	-177.4	-60.5	-162.8	178.5	-158	0	114.4	D1328	K651-D1328 IonicContact NZ-OD1 3.43Å; K651-D1328 PolarHBondContact NZ-OD1 3.38Å; K651-D1328 IonicContact NZ-OD2 3.8Å
652	S	90.4	Very high	91.6	Very high	79 Å²	79	57.7 Å²	57.7	55%	0.552	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-32.2	-171.3	59.5	0	0	0	0	115.1	T649 E650	T649-S652 PolarHBondContact O-N 3.49Å; E650-S652 PolarHBondContact O-N 3.39Å
653	I	91.8	Very high	91.4	Very high	45 Å²	45	55.4 Å²	55.4	23%	0.231	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-64.5	-172.8	-54.4	-179.2	0	0	0	109.4	M641 D643 T649 T655	M641-I653 HydrophobicContact CE-CG2 3.45Å; M641-I653 VanDerWaalsContact CE-CG2 3.45Å; D643-I653 HydrophobicContact CB-CD1 3.88Å; D643-I653 HydrophobicContact CB-CG2 4.24Å; D643-I653 WeakPolarHBondContact OD1-CD1 3.47Å; T649-I653 HydrophobicContact CG2-CD1 4.03Å; T649-I653 PolarHBondContact O-N 3.04Å; I653-T655 PolarHBondContact O-N 2.99Å; I653-T655 VanDerWaalsContact O-N 3.11Å
654	F	94	Very high	90.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.009	29%	0.288	C	S	.	.	S	Bend	trans	-91.2	54	-179.1	-55.4	-67.9	0	0	0	111.6	F450 T596 M641 D643 F645 T649 E650 F658	F450-F654 HydrophobicContact CE2-CD1 4.43Å; F450-F654 HydrophobicContact CE2-CE1 4.24Å; F450-F654 AromaticContact CZ-CD1 3.91Å; F450-F654 HydrophobicContact CZ-CD1 3.91Å; F450-F654 AromaticContact CZ-CE1 3.94Å; F450-F654 HydrophobicContact CZ-CE1 3.94Å; T596-F654 HydrophobicContact CG2-CE1 4.13Å; T596-F654 HydrophobicContact CG2-CZ 3.94Å; T596-F654 WeakPolarHBondContact OG1-CZ 3.42Å; M641-F654 HydrophobicContact CE-CD1 4.48Å; M641-F654 HydrophobicContact CE-CE1 3.68Å; M641-F654 HydrophobicContact CE-CZ 4.01Å; M641-F654 HydrophobicContact SD-CE1 4.12Å; D643-F654 HydrophobicContact CB-CE2 3.78Å; D643-F654 HydrophobicContact CB-CZ 3.84Å; F645-F654 HydrophobicContact CB-CD2 4.45Å; F645-F654 HydrophobicContact CB-CE2 4.29Å; F645-F654 HydrophobicContact CD2-CB 3.97Å; F645-F654 AromaticContact CD2-CD1 3.78Å; F645-F654 HydrophobicContact CD2-CD1 3.78Å; F645-F654 AromaticContact CD2-CD2 3.76Å; F645-F654 HydrophobicContact CD2-CD2 3.76Å; F645-F654 HydrophobicContact CD2-CE1 4.21Å; F645-F654 HydrophobicContact CD2-CE2 4.2Å; F645-F654 AromaticContact CD2-CG 3.54Å; F645-F654 HydrophobicContact CD2-CG 3.54Å; F645-F654 HydrophobicContact CD2-CZ 4.4Å; F645-F654 HydrophobicContact CE2-CB 3.79Å; F645-F654 HydrophobicContact CE2-CD1 4.12Å; F645-F654 HydrophobicContact CE2-CD2 4.45Å; F645-F654 AromaticContact CE2-CG 3.87Å; F645-F654 HydrophobicContact CE2-CG 3.87Å; F645-F654 HydrophobicContact CG-CD2 4.43Å; T649-F654 PolarHBondContact O-N 3.2Å; T649-F654 WeakPolarHBondContact OG1-CD2 3.41Å; E650-F654 CarbonylContact O-C 3.51Å; F654-F658 AromaticContact CD1-CD1 3.98Å; F654-F658 HydrophobicContact CD1-CD1 3.98Å; F654-F658 AromaticContact CD1-CE1 3.63Å; F654-F658 HydrophobicContact CD1-CE1 3.63Å; F654-F658 HydrophobicContact CD1-CZ 4.4Å; F654-F658 HydrophobicContact CE1-CE1 4.12Å
655	T	92	Very high	89.6	Confident	38 Å²	38	54.7 Å²	54.7	23%	0.233	28%	0.278	C	S	.	.			trans	-63.7	158.9	176.4	59.8	0	0	0	0	111.3	E650 I653 E657 F658 L659	E650-T655 WeakPolarHBondContact O-CA 3.42Å; E650-T655 WeakPolarHBondContact O-CG2 3.43Å; E650-T655 PolarHBondContact O-N 3.28Å; I653-T655 PolarHBondContact O-N 2.99Å; I653-T655 VanDerWaalsContact O-N 3.11Å; T655-E657 PolarHBondContact O-N 3.13Å; T655-F658 WeakPolarHBondContact O-CB 3.03Å; T655-F658 PolarHBondContact O-N 3.44Å; T655-F658 VanDerWaalsContact O-N 3.1Å; T655-F658 WeakPolarHBondContact OG1-CB 3.38Å; T655-F658 PolarHBondContact OG1-N 2.92Å; T655-F658 VanDerWaalsContact OG1-N 3.16Å; T655-L659 PolarHBondContact O-N 2.89Å
656	D	89.7	Confident	87.7	Confident	39 Å²	39	55.8 Å²	55.8	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-50.8	-46.8	172	-70.3	7.7	0	0	0	110.8	F658 L659 L660 R702 L706 H1330	D656-F658 PolarHBondContact O-N 2.7Å; D656-L659 PolarHBondContact O-N 3.27Å; D656-L660 WeakPolarHBondContact O-CB 3.45Å; D656-L660 VanDerWaalsContact O-CG 3.28Å; D656-L660 WeakPolarHBondContact O-CG 3.48Å; D656-L660 PolarHBondContact O-N 3.18Å; D656-R702 IonicContact OD1-CZ 2.73Å; D656-R702 VanDerWaalsContact OD1-CZ 3.25Å; D656-R702 IonicContact OD1-NH1 3.94Å; D656-R702 PolarHBondContact OD1-NH1 2.84Å; D656-R702 IonicContact OD1-NH2 3.73Å; D656-R702 PolarHBondContact OD1-NH2 3.42Å; D656-L706 HydrophobicContact CB-CD2 3.94Å; D656-H1330 IonicContact OD2-CE1 3.67Å
657	E	88.6	Confident	85.5	Confident	140 Å²	140	57.9 Å²	57.9	65%	0.654	30%	0.304	S	S	*	.	H	α-helix	trans	-56.7	-46.9	176.8	-168	91.1	-167.2	0	0	111.6	T655 Q661	T655-E657 PolarHBondContact O-N 3.13Å; E657-Q661 VanDerWaalsContact O-CB 3.26Å; E657-Q661 WeakPolarHBondContact O-CB 3.47Å; E657-Q661 PolarHBondContact O-N 3.37Å
658	F	92.2	Very high	82.9	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-46.9	179.1	170.6	-89.5	0	0	0	111.7	F450 T594 M641 F654 T655 D656 Q661 A662	F450-F658 HydrophobicContact CD2-CE1 4.31Å; F450-F658 AromaticContact CE2-CE1 3.77Å; F450-F658 HydrophobicContact CE2-CE1 3.77Å; F450-F658 HydrophobicContact CE2-CZ 4.23Å; F450-F658 HydrophobicContact CZ-CE1 4.19Å; T594-F658 HydrophobicContact CG2-CZ 3.96Å; M641-F658 HydrophobicContact CE-CE2 4.37Å; M641-F658 HydrophobicContact CE-CZ 4.15Å; M641-F658 HydrophobicContact SD-CE1 4.49Å; M641-F658 HydrophobicContact SD-CE2 4.01Å; M641-F658 HydrophobicContact SD-CZ 3.55Å; M641-F658 VanDerWaalsContact SD-CZ 3.55Å; F654-F658 AromaticContact CD1-CD1 3.98Å; F654-F658 HydrophobicContact CD1-CD1 3.98Å; F654-F658 AromaticContact CD1-CE1 3.63Å; F654-F658 HydrophobicContact CD1-CE1 3.63Å; F654-F658 HydrophobicContact CD1-CZ 4.4Å; F654-F658 HydrophobicContact CE1-CE1 4.12Å; T655-F658 WeakPolarHBondContact O-CB 3.03Å; T655-F658 PolarHBondContact O-N 3.44Å; T655-F658 VanDerWaalsContact O-N 3.1Å; T655-F658 WeakPolarHBondContact OG1-CB 3.38Å; T655-F658 PolarHBondContact OG1-N 2.92Å; T655-F658 VanDerWaalsContact OG1-N 3.16Å; D656-F658 PolarHBondContact O-N 2.7Å; F658-Q661 PolarHBondContact O-N 3.21Å; F658-A662 HydrophobicContact CE1-CB 4.18Å; F658-A662 HydrophobicContact CZ-CB 4.29Å; F658-A662 VanDerWaalsContact O-CB 3.25Å; F658-A662 WeakPolarHBondContact O-CB 3.23Å; F658-A662 PolarHBondContact O-N 3.12Å
659	L	91.8	Very high	80.2	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-68.6	-40.4	-176.7	-65.4	174.2	0	0	0	112.1	F450 F645 T655 D656 Q661 A662 T663 L706 L708	F450-L659 HydrophobicContact CD1-CD2 3.78Å; F450-L659 HydrophobicContact CE1-CD2 3.4Å; F450-L659 HydrophobicContact CE2-CD2 4.46Å; F450-L659 HydrophobicContact CG-CD2 4.46Å; F450-L659 HydrophobicContact CZ-CD2 3.79Å; F645-L659 HydrophobicContact CE2-CD1 4.14Å; F645-L659 HydrophobicContact CE2-CD2 3.82Å; F645-L659 HydrophobicContact CZ-CD1 4.1Å; F645-L659 HydrophobicContact CZ-CD2 4.45Å; T655-L659 PolarHBondContact O-N 2.89Å; D656-L659 PolarHBondContact O-N 3.27Å; L659-Q661 VanDerWaalsContact C-N 3.31Å; L659-Q661 PolarHBondContact O-N 2.96Å; L659-A662 PolarHBondContact O-N 2.89Å; L659-T663 WeakPolarHBondContact O-CG2 3.29Å; L659-T663 PolarHBondContact O-N 2.85Å; L659-T663 VanDerWaalsContact O-N 3.13Å; L659-T663 PolarHBondContact O-OG1 3.05Å; L659-L706 HydrophobicContact CB-CD1 3.67Å; L659-L706 HydrophobicContact CD1-CD1 3.64Å; L659-L706 HydrophobicContact CG-CD1 4.28Å; L659-L708 HydrophobicContact CB-CD1 4.21Å
660	L	90.2	Very high	77.2	Confident	74 Å²	74	74.3 Å²	74.3	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-39.9	172.5	-69.6	171	0	0	0	111.4	D656 T663 K664 L706 L708	D656-L660 WeakPolarHBondContact O-CB 3.45Å; D656-L660 VanDerWaalsContact O-CG 3.28Å; D656-L660 WeakPolarHBondContact O-CG 3.48Å; D656-L660 PolarHBondContact O-N 3.18Å; L660-T663 CarbonylContact O-C 3.46Å; L660-T663 PolarHBondContact O-OG1 3.38Å; L660-K664 PolarHBondContact O-N 3.37Å; L660-L706 HydrophobicContact CD2-CB 4.49Å; L660-L708 HydrophobicContact CD2-CD2 4.35Å
661	Q	87	Confident	74	Confident	46 Å²	46	74.5 Å²	74.5	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-73	-40	177.7	-172	60.6	31.8	0	0	112.8	M588 E657 F658 L659 T663 K664	M588-Q661 HydrophobicContact CB-CG 3.85Å; M588-Q661 PolarHBondContact O-NE2 3.38Å; M588-Q661 HydrophobicContact SD-CG 4.47Å; E657-Q661 VanDerWaalsContact O-CB 3.26Å; E657-Q661 WeakPolarHBondContact O-CB 3.47Å; E657-Q661 PolarHBondContact O-N 3.37Å; F658-Q661 PolarHBondContact O-N 3.21Å; L659-Q661 VanDerWaalsContact C-N 3.31Å; L659-Q661 PolarHBondContact O-N 2.96Å; Q661-T663 PolarHBondContact O-N 2.94Å; Q661-K664 WeakPolarHBondContact O-CB 3.49Å; Q661-K664 PolarHBondContact O-N 3.25Å; Q661-K664 VanDerWaalsContact O-N 3.1Å
662	A	90.4	Very high	71.2	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-22.4	177.8	0	0	0	0	0	112.6	S448 F450 F658 L659	S448-A662 WeakPolarHBondContact CB-O 3.43Å; F450-A662 HydrophobicContact CB-CB 4.39Å; F450-A662 HydrophobicContact CD2-CB 4.29Å; F658-A662 HydrophobicContact CE1-CB 4.18Å; F658-A662 HydrophobicContact CZ-CB 4.29Å; F658-A662 VanDerWaalsContact O-CB 3.25Å; F658-A662 WeakPolarHBondContact O-CB 3.23Å; F658-A662 PolarHBondContact O-N 3.12Å; L659-A662 PolarHBondContact O-N 2.89Å
663	T	89	Confident	68.1	Low	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	16.9	175.5	58.3	0	0	0	0	112.1	F450 L659 L660 Q661 G684 V686 L708	F450-T663 HydrophobicContact CB-CG2 4.07Å; L659-T663 WeakPolarHBondContact O-CG2 3.29Å; L659-T663 PolarHBondContact O-N 2.85Å; L659-T663 VanDerWaalsContact O-N 3.13Å; L659-T663 PolarHBondContact O-OG1 3.05Å; L660-T663 CarbonylContact O-C 3.46Å; L660-T663 PolarHBondContact O-OG1 3.38Å; Q661-T663 PolarHBondContact O-N 2.94Å; T663-G684 WeakPolarHBondContact O-CA 3.45Å; T663-G684 PolarHBondContact O-N 2.76Å; T663-V686 HydrophobicContact CG2-CG2 4.03Å; T663-L708 HydrophobicContact CG2-CD1 4.31Å; T663-L708 HydrophobicContact CG2-CD2 4.34Å; T663-L708 WeakPolarHBondContact OG1-CD2 3.45Å
664	K	83.1	Confident	65	Low	123 Å²	123	79.9 Å²	79.9	54%	0.535	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-84	126.8	178.7	-168.8	173.7	-179.4	175.2	0	111.1	S448 L660 Q661	S448-K664 WeakPolarHBondContact CB-O 3.4Å; S448-K664 PolarHBondContact OG-O 3.46Å; L660-K664 PolarHBondContact O-N 3.37Å; Q661-K664 WeakPolarHBondContact O-CB 3.49Å; Q661-K664 PolarHBondContact O-N 3.25Å; Q661-K664 VanDerWaalsContact O-N 3.1Å
665	C	68.4	Low	61.7	Low	39 Å²	39	86.2 Å²	86.2	26%	0.264	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-87.4	134.4	169.6	-65.9	0	0	0	0	110.3
666	S	54.6	Low	58.5	Low	29 Å²	29	88.2 Å²	88.2	20%	0.203	48%	0.48	C	S	.	.	S	Bend	trans	-88.2	147	174.8	54.7	0	0	0	0	111	S589 P591	S589-S666 WeakPolarHBondContact O-CB 3.32Å; P591-S666 WeakPolarHBondContact CD-OG 3.28Å
667	N	48.2	Very low	55.5	Low	130 Å²	130	94.7 Å²	94.7	70%	0.695	51%	0.506	S	S	*	.			trans	99.1	22.5	172.9	-54.3	-39.4	0	0	0	120.9	N446	N446-N667 PolarHBondContact OD1-ND2 2.93Å
668	Y	39.6	Very low	52.7	Low	162 Å²	162	91.9 Å²	91.9	64%	0.635	50%	0.502	S	S	*	.			trans	-99.6	109.5	152.9	-101.8	-101	0	0	0	110	Q670 K682	Y668-Q670 PolarHBondContact O-N 3.13Å; Y668-K682 HydrophobicContact CD2-CD 4.06Å; Y668-K682 HydrophobicContact CE2-CD 4.05Å; Y668-K682 PolarHBondContact OH-NZ 3.32Å; Y668-K682 VanDerWaalsContact OH-NZ 3.15Å
669	K	33.9	Very low	49.8	Very low	207 Å²	207	95.8 Å²	95.8	90%	0.9	53%	0.53	S	S	*	.			trans	-56.7	107.3	171.3	-80.2	-178.5	176	176	0	108.3	G671	K669-G671 VanDerWaalsContact C-N 3.33Å; K669-G671 PolarHBondContact O-N 3.48Å
670	Q	29	Very low	47.2	Very low	188 Å²	188	99.8 Å²	99.8	88%	0.879	56%	0.558	S	S	*	*			trans	-62	96	165.9	-83.8	179.6	-14.6	0	0	108.4	Y668	Y668-Q670 PolarHBondContact O-N 3.13Å
671	G	24.7	Very low	45	Very low	63 Å²	63	101.3 Å²	101.3	65%	0.649	56%	0.564	S	S	*	*			trans	-90.1	129.2	161.3	0	0	0	0	0	109.1	K669	K669-G671 VanDerWaalsContact C-N 3.33Å; K669-G671 PolarHBondContact O-N 3.48Å
672	I	26.6	Very low	43.5	Very low	154 Å²	154	102 Å²	102	79%	0.79	57%	0.566	S	S	*	*			trans	88	103.1	161.2	-47.4	172.3	0	0	0	115.7	S674	I672-S674 PolarHBondContact O-N 3.03Å
673	T	25.7	Very low	42.2	Very low	145 Å²	145	104.3 Å²	104.3	89%	0.89	58%	0.576	S	S	*	*			trans	-48.8	104.1	154.7	50.4	0	0	0	0	111.8
674	S	26.3	Very low	42.1	Very low	86 Å²	86	104.3 Å²	104.3	60%	0.601	58%	0.576	S	S	*	*			trans	-157.6	133.5	155.9	52.9	0	0	0	0	110.1	I672 S676	I672-S674 PolarHBondContact O-N 3.03Å; S674-S676 PolarHBondContact O-N 3.16Å
675	S	25	Very low	42.7	Very low	136 Å²	136	98.5 Å²	98.5	95%	0.951	55%	0.551	S	S	*	*			trans	-70.9	41.3	-169.1	51.3	0	0	0	0	115.9
676	S	25.3	Very low	44.1	Very low	80 Å²	80	96.7 Å²	96.7	56%	0.559	54%	0.539	S	S	*	.			trans	-107.4	102.7	172.3	50.8	0	0	0	0	109.2	S674 S678	S674-S676 PolarHBondContact O-N 3.16Å; S676-S678 PolarHBondContact O-N 3.2Å
677	F	26.4	Very low	46.2	Very low	174 Å²	174	95.3 Å²	95.3	76%	0.763	53%	0.529	S	S	*	.			trans	-70.4	71.1	169.7	-124.3	-96	0	0	0	108.3
678	S	28.7	Very low	48.5	Very low	82 Å²	82	89.1 Å²	89.1	57%	0.573	50%	0.496	S	S	*	.			trans	-98.5	98.2	165.2	71.8	0	0	0	0	108.2	S676 S680	S676-S678 PolarHBondContact O-N 3.2Å; S678-S680 PolarHBondContact O-N 2.96Å
679	S	31.7	Very low	51.3	Low	90 Å²	90	81.9 Å²	81.9	63%	0.629	47%	0.47	S	S	*	.	S	Bend	trans	-3.6	18	160.9	52.8	0	0	0	0	124.2	H681	S679-H681 PolarHBondContact O-N 3.44Å; S679-H681 VanDerWaalsContact O-N 3.11Å
680	S	37.1	Very low	54.1	Low	87 Å²	87	73 Å²	73	61%	0.608	43%	0.432	S	S	*	.			trans	-85	32.2	173.3	72.3	0	0	0	0	113.7	S678 K682	S678-S680 PolarHBondContact O-N 2.96Å; S680-K682 PolarHBondContact O-N 3.48Å; S680-K682 VanDerWaalsContact O-N 3.08Å
681	H	44.2	Very low	57	Low	107 Å²	107	69.6 Å²	69.6	50%	0.495	42%	0.42	S	S	.	.			trans	-67.9	109	168.9	-73.7	79.7	0	0	0	107	S679 H683	S679-H681 PolarHBondContact O-N 3.44Å; S679-H681 VanDerWaalsContact O-N 3.11Å; H681-H683 VanDerWaalsContact C-N 3.3Å; H681-H683 PolarHBondContact O-CE1 3.08Å; H681-H683 VanDerWaalsContact O-CE1 3.27Å; H681-H683 PolarHBondContact O-N 2.89Å; H681-H683 PolarHBondContact O-ND1 3.49Å
682	K	56	Low	59.9	Low	61 Å²	61	67.7 Å²	67.7	27%	0.265	40%	0.397	S	S	.	.			trans	-68.3	92.5	176	-66.8	-173.3	-175.2	-170.3	0	108.3	Y668 S680 N1187 D1190	Y668-K682 HydrophobicContact CD2-CD 4.06Å; Y668-K682 HydrophobicContact CE2-CD 4.05Å; Y668-K682 PolarHBondContact OH-NZ 3.32Å; Y668-K682 VanDerWaalsContact OH-NZ 3.15Å; S680-K682 PolarHBondContact O-N 3.48Å; S680-K682 VanDerWaalsContact O-N 3.08Å; K682-N1187 WeakPolarHBondContact CE-OD1 3.48Å; K682-N1187 PolarHBondContact NZ-OD1 3.35Å; K682-D1190 WeakPolarHBondContact CE-OD2 3.42Å; K682-D1190 IonicContact NZ-OD2 3.93Å; K682-D1190 PolarHBondContact NZ-OD2 3.03Å
683	H	63.4	Low	62.8	Low	47 Å²	47	61.6 Å²	61.6	22%	0.218	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-72.1	142.7	175.1	-55.5	105.9	0	0	0	109.7	H681 L708 P709 Y1182	H681-H683 VanDerWaalsContact C-N 3.3Å; H681-H683 PolarHBondContact O-CE1 3.08Å; H681-H683 VanDerWaalsContact O-CE1 3.27Å; H681-H683 PolarHBondContact O-N 2.89Å; H681-H683 PolarHBondContact O-ND1 3.49Å; H683-L708 HydrophobicContact CB-CD2 4.45Å; H683-P709 HydrophobicContact CB-CG 4.45Å; H683-Y1182 PolarHBondContact O-OH 3.13Å
684	G	87.2	Confident	65.8	Low	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.343	C	S	.	.			trans	-63.1	-152.8	153.6	0	0	0	0	0	109.9	S448 T663 P709	S448-G684 VanDerWaalsContact O-CA 3.31Å; S448-G684 WeakPolarHBondContact O-CA 3.39Å; T663-G684 WeakPolarHBondContact O-CA 3.45Å; T663-G684 PolarHBondContact O-N 2.76Å; G684-P709 WeakPolarHBondContact O-CG 3.49Å
685	I	94.7	Very high	68.9	Low	1 Å²	1	54.1 Å²	54.1	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.5	-169.4	-166.1	167.3	0	0	0	113.2	L447 S448 V449 F450 L687 P709 I711 L1179 Y1182	L447-I685 HydrophobicContact CD1-CG2 4.49Å; L447-I685 HydrophobicContact CD2-CG2 4.35Å; S448-I685 PolarHBondContact O-N 2.68Å; S448-I685 VanDerWaalsContact O-N 3.12Å; V449-I685 WeakPolarHBondContact CA-O 3.41Å; V449-I685 HydrophobicContact CG2-CG2 3.94Å; F450-I685 PolarHBondContact N-O 3.17Å; I685-L687 HydrophobicContact CD1-CD2 4.45Å; I685-L687 HydrophobicContact CG1-CD2 4.43Å; I685-P709 HydrophobicContact CB-CG 4.35Å; I685-P709 HydrophobicContact CG1-CB 4.33Å; I685-P709 HydrophobicContact CG1-CG 4.19Å; I685-I711 HydrophobicContact CD1-CD1 3.56Å; I685-I711 HydrophobicContact CD1-CG1 3.84Å; I685-L1179 HydrophobicContact CB-CD1 4.48Å; I685-L1179 HydrophobicContact CD1-CD1 3.82Å; I685-L1179 HydrophobicContact CG2-CD1 3.5Å; I685-Y1182 HydrophobicContact CB-CE1 4.44Å; I685-Y1182 HydrophobicContact CD1-CD1 3.8Å; I685-Y1182 HydrophobicContact CD1-CE1 4.27Å; I685-Y1182 HydrophobicContact CD1-CG 4.29Å
686	V	97.7	Very high	72.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.4	172.6	-174.9	0	0	0	0	109.2	F450 T663 L699 L708 P709 L710 I711	F450-V686 HydrophobicContact CB-CG2 4.48Å; F450-V686 HydrophobicContact CD1-CG1 4.2Å; F450-V686 HydrophobicContact CD1-CG2 4.43Å; F450-V686 CarbonylContact O-C 3.56Å; F450-V686 VanDerWaalsContact O-CA 3.26Å; F450-V686 WeakPolarHBondContact O-CA 3.47Å; T663-V686 HydrophobicContact CG2-CG2 4.03Å; V686-L699 HydrophobicContact CG1-CD1 3.95Å; V686-L699 HydrophobicContact CG1-CD2 4.21Å; V686-L699 HydrophobicContact CG1-CG 4.36Å; V686-L708 HydrophobicContact CG2-CB 4.13Å; V686-L708 HydrophobicContact CG2-CD1 4.2Å; V686-P709 PolarHBondContact N-O 2.94Å; V686-L710 HydrophobicContact CB-CD1 4.05Å; V686-L710 HydrophobicContact CG1-CD1 3.79Å; V686-L710 WeakPolarHBondContact O-CA 3.36Å; V686-I711 PolarHBondContact O-N 2.62Å
687	L	98.3	Very high	75.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.3	173.9	-58.4	-178.2	0	0	0	109.5	V449 F450 M451 V452 L461 L465 I685 I711 V1175	V449-L687 HydrophobicContact CG1-CB 4.49Å; V449-L687 HydrophobicContact CG1-CD1 3.68Å; V449-L687 HydrophobicContact CG1-CG 3.82Å; F450-L687 PolarHBondContact O-N 3.42Å; M451-L687 WeakPolarHBondContact CA-O 3.31Å; M451-L687 HydrophobicContact CG-CB 4.3Å; V452-L687 PolarHBondContact N-O 3.42Å; L461-L687 HydrophobicContact CD1-CB 4.32Å; L461-L687 HydrophobicContact CD1-CD1 4.39Å; L465-L687 HydrophobicContact CD1-CD1 4.22Å; L465-L687 HydrophobicContact CD2-CD1 4.38Å; I685-L687 HydrophobicContact CD1-CD2 4.45Å; I685-L687 HydrophobicContact CG1-CD2 4.43Å; L687-I711 HydrophobicContact CD2-CB 3.9Å; L687-I711 HydrophobicContact CD2-CD1 4.13Å; L687-I711 HydrophobicContact CD2-CG1 4.35Å; L687-V1175 HydrophobicContact CD2-CG1 4.02Å
688	A	98	Very high	78.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.1	174.9	0	0	0	0	0	112	L690 L699 L710 I711 E712 S713	A688-L690 HydrophobicContact CB-CD1 4.33Å; A688-L690 HydrophobicContact CB-CG 4.4Å; A688-L699 HydrophobicContact CB-CD2 3.83Å; A688-L710 HydrophobicContact CB-CD1 4.22Å; A688-I711 PolarHBondContact N-O 3.39Å; A688-I711 VanDerWaalsContact N-O 3.09Å; A688-E712 WeakPolarHBondContact CB-OE2 3.46Å; A688-S713 PolarHBondContact O-OG 3.4Å
689	A	96.9	Very high	82	Confident	9 Å²	9	38.8 Å²	38.8	7%	0.074	21%	0.21	C	C	.	.			trans	-130	49	174.1	0	0	0	0	0	109.7	V452 I457 L461	V452-A689 CarbonylContact O-C 3.56Å; V452-A689 PolarHBondContact O-N 2.97Å; I457-A689 HydrophobicContact CB-CB 3.97Å; I457-A689 HydrophobicContact CG2-CB 3.93Å; L461-A689 HydrophobicContact CD1-CB 4.33Å
690	L	94.3	Very high	85.1	Confident	20 Å²	20	34.6 Å²	34.6	11%	0.105	18%	0.18	C	C	.	.			trans	-91.1	165.1	-171	-65.4	173.2	0	0	0	112.4	V452 A688 T695 R696 L699	V452-L690 HydrophobicContact CB-CD2 4.37Å; V452-L690 HydrophobicContact CG1-CD2 3.81Å; A688-L690 HydrophobicContact CB-CD1 4.33Å; A688-L690 HydrophobicContact CB-CG 4.4Å; L690-T695 HydrophobicContact CD1-CG2 3.91Å; L690-T695 HydrophobicContact CD2-CG2 3.69Å; L690-T695 HydrophobicContact CG-CG2 4.44Å; L690-R696 HydrophobicContact CB-CG 3.98Å; L690-R696 HydrophobicContact CD1-CB 4.3Å; L690-R696 HydrophobicContact CD1-CG 3.7Å; L690-R696 HydrophobicContact CG-CG 4.49Å; L690-R696 PolarHBondContact O-NH2 3Å; L690-L699 HydrophobicContact CD1-CB 4.49Å; L690-L699 HydrophobicContact CD1-CD2 4Å
691	D	88.7	Confident	87.8	Confident	117 Å²	117	33.1 Å²	33.1	63%	0.626	17%	0.17	S	C	*	.	S	Bend	trans	-123.3	-0.1	178.6	66.4	-10.8	0	0	0	113.5
692	C	85	Confident	90.2	Very high	24 Å²	24	28.6 Å²	28.6	16%	0.162	15%	0.148	C	C	.	.			trans	-140.6	135.7	-179.4	58.2	0	0	0	0	113	T695 R696 G745	C692-T695 PolarHBondContact O-N 3.25Å; C692-T695 PolarHBondContact SG-OG1 3.26Å; C692-R696 PolarHBondContact O-N 3.1Å; C692-G745 CarbonylContact C-O 3.52Å; C692-G745 WeakPolarHBondContact CA-O 3.5Å
693	V	87.4	Confident	92	Very high	25 Å²	25	25.8 Å²	25.8	15%	0.152	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-41.7	-178	177.5	0	0	0	0	113	T695 R696 R697 Y733 G745	V693-T695 VanDerWaalsContact C-N 3.27Å; V693-T695 PolarHBondContact O-N 3.13Å; V693-R696 WeakPolarHBondContact O-CB 3.41Å; V693-R696 PolarHBondContact O-N 3.33Å; V693-R696 VanDerWaalsContact O-N 3.09Å; V693-R697 HydrophobicContact CG1-CG 4.03Å; V693-R697 WeakPolarHBondContact O-CG 3.27Å; V693-R697 PolarHBondContact O-N 3.22Å; V693-Y733 HydrophobicContact CG1-CE1 4.44Å; V693-G745 PolarHBondContact N-O 3.47Å
694	P	89.8	Confident	93.3	Very high	61 Å²	61	24.7 Å²	24.7	40%	0.396	13%	0.133	S	C	.	.	H	α-helix	trans	-59.7	-37.3	-179.6	-25.6	36.1	0	0	0	113.3	W646 Y698	W646-P694 HydrophobicContact CH2-CB 4.12Å; W646-P694 HydrophobicContact CZ3-CB 4.43Å; P694-Y698 PolarHBondContact O-N 3.21Å; P694-Y698 VanDerWaalsContact O-N 3.1Å
695	T	91.7	Very high	93.4	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-71.4	-37.8	176.6	-51.2	0	0	0	0	111.2	L690 C692 V693 Y698 L699	L690-T695 HydrophobicContact CD1-CG2 3.91Å; L690-T695 HydrophobicContact CD2-CG2 3.69Å; L690-T695 HydrophobicContact CG-CG2 4.44Å; C692-T695 PolarHBondContact O-N 3.25Å; C692-T695 PolarHBondContact SG-OG1 3.26Å; V693-T695 VanDerWaalsContact C-N 3.27Å; V693-T695 PolarHBondContact O-N 3.13Å; T695-Y698 PolarHBondContact O-N 3Å; T695-L699 WeakPolarHBondContact O-CB 3.39Å; T695-L699 PolarHBondContact O-N 3.21Å
696	R	94.8	Very high	93.1	Very high	21 Å²	21	26.5 Å²	26.5	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-49.7	172.7	-67.9	179.2	166.6	91.8	2	111.8	L690 C692 V693 Y698 L699 D700 E712 S713 Y733	L690-R696 HydrophobicContact CB-CG 3.98Å; L690-R696 HydrophobicContact CD1-CB 4.3Å; L690-R696 HydrophobicContact CD1-CG 3.7Å; L690-R696 HydrophobicContact CG-CG 4.49Å; L690-R696 PolarHBondContact O-NH2 3Å; C692-R696 PolarHBondContact O-N 3.1Å; V693-R696 WeakPolarHBondContact O-CB 3.41Å; V693-R696 PolarHBondContact O-N 3.33Å; V693-R696 VanDerWaalsContact O-N 3.09Å; R696-Y698 VanDerWaalsContact C-N 3.3Å; R696-Y698 PolarHBondContact O-N 2.65Å; R696-L699 PolarHBondContact O-N 2.66Å; R696-L699 VanDerWaalsContact O-N 3.16Å; R696-D700 WeakPolarHBondContact O-CB 3.42Å; R696-D700 PolarHBondContact O-N 3.15Å; R696-E712 WeakPolarHBondContact CD-OE1 3.36Å; R696-E712 WeakPolarHBondContact CG-OE1 3.4Å; R696-E712 IonicContact CZ-OE1 3.92Å; R696-E712 IonicContact NE-OE1 2.73Å; R696-E712 PolarHBondContact NE-OE1 3.29Å; R696-E712 IonicContact NH2-OE1 3.83Å; R696-S713 PolarHBondContact NH2-O 3.14Å; R696-Y733 HydrophobicContact CB-CD1 4.17Å; R696-Y733 HydrophobicContact CB-CE1 3.65Å
697	R	93.9	Very high	92.7	Very high	98 Å²	98	28.5 Å²	28.5	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-58.9	-41.2	178.2	-67.4	-165.3	174.5	158.8	1	112.3	V693 S701 Y733 N734	V693-R697 HydrophobicContact CG1-CG 4.03Å; V693-R697 WeakPolarHBondContact O-CG 3.27Å; V693-R697 PolarHBondContact O-N 3.22Å; R697-S701 WeakPolarHBondContact O-CB 3.49Å; R697-S701 PolarHBondContact O-N 3.22Å; R697-Y733 HydrophobicContact CG-CD1 4.2Å; R697-Y733 HydrophobicContact CG-CE1 3.82Å; R697-N734 WeakPolarHBondContact CA-OD1 3.46Å; R697-N734 WeakPolarHBondContact CB-OD1 3.38Å; R697-N734 WeakPolarHBondContact CG-OD1 3.23Å; R697-N734 PolarHBondContact O-ND2 2.63Å
698	Y	95.3	Very high	92.4	Very high	30 Å²	30	28.6 Å²	28.6	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-44.4	175.6	179.4	-111.3	0	0	0	111.9	F645 W646 P647 E650 P694 T695 R696 S701 R702	F645-Y698 AromaticContact CD1-CD1 3.65Å; F645-Y698 HydrophobicContact CD1-CD1 3.65Å; F645-Y698 AromaticContact CD1-CE1 3.65Å; F645-Y698 HydrophobicContact CD1-CE1 3.65Å; F645-Y698 AromaticContact CE1-CD1 3.65Å; F645-Y698 HydrophobicContact CE1-CD1 3.65Å; F645-Y698 AromaticContact CE1-CE1 3.5Å; F645-Y698 HydrophobicContact CE1-CE1 3.5Å; F645-Y698 HydrophobicContact CZ-CE1 4.34Å; W646-Y698 VanDerWaalsContact CA-CE1 3.43Å; W646-Y698 HydrophobicContact CE3-CD1 4.37Å; W646-Y698 PolarHBondContact O-OH 2.92Å; P647-Y698 WeakPolarHBondContact CA-OH 3.1Å; P647-Y698 HydrophobicContact CB-CE2 4.35Å; P647-Y698 HydrophobicContact CG-CD2 3.85Å; P647-Y698 HydrophobicContact CG-CE2 3.52Å; E650-Y698 PolarHBondContact OE2-OH 2.85Å; P694-Y698 PolarHBondContact O-N 3.21Å; P694-Y698 VanDerWaalsContact O-N 3.1Å; T695-Y698 PolarHBondContact O-N 3Å; R696-Y698 VanDerWaalsContact C-N 3.3Å; R696-Y698 PolarHBondContact O-N 2.65Å; Y698-S701 PolarHBondContact O-N 3.21Å; Y698-R702 HydrophobicContact CD2-CG 4.38Å; Y698-R702 HydrophobicContact CE1-CG 4.13Å; Y698-R702 HydrophobicContact CE2-CG 3.93Å; Y698-R702 VanDerWaalsContact O-CG 3.28Å; Y698-R702 WeakPolarHBondContact O-CG 3.46Å; Y698-R702 PolarHBondContact O-N 2.86Å; Y698-R702 VanDerWaalsContact O-N 3.07Å
699	L	96.6	Very high	92.3	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-49.2	175	-178	60.4	0	0	0	112	V452 F645 V686 A688 L690 T695 R696 S701 R702 C703 L710	V452-L699 HydrophobicContact CB-CD2 4.05Å; V452-L699 HydrophobicContact CG2-CD1 3.79Å; V452-L699 HydrophobicContact CG2-CD2 3.96Å; F645-L699 HydrophobicContact CD1-CD1 4.21Å; F645-L699 HydrophobicContact CE1-CB 4.29Å; F645-L699 HydrophobicContact CE1-CD1 3.64Å; F645-L699 HydrophobicContact CZ-CD1 3.84Å; V686-L699 HydrophobicContact CG1-CD1 3.95Å; V686-L699 HydrophobicContact CG1-CD2 4.21Å; V686-L699 HydrophobicContact CG1-CG 4.36Å; A688-L699 HydrophobicContact CB-CD2 3.83Å; L690-L699 HydrophobicContact CD1-CB 4.49Å; L690-L699 HydrophobicContact CD1-CD2 4Å; T695-L699 WeakPolarHBondContact O-CB 3.39Å; T695-L699 PolarHBondContact O-N 3.21Å; R696-L699 PolarHBondContact O-N 2.66Å; R696-L699 VanDerWaalsContact O-N 3.16Å; L699-S701 PolarHBondContact O-N 2.66Å; L699-R702 PolarHBondContact O-N 2.89Å; L699-R702 VanDerWaalsContact O-N 3.15Å; L699-C703 PolarHBondContact O-N 2.91Å; L699-C703 PolarHBondContact O-SG 2.73Å; L699-C703 VanDerWaalsContact O-SG 3.36Å; L699-L710 HydrophobicContact CD2-CD1 4.12Å; L699-L710 HydrophobicContact CG-CD1 4.49Å
700	D	96.4	Very high	92.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-56.1	-47.3	175.8	179.6	71.6	0	0	0	111.7	R696 R702 C703 V704 L710 S732 Y733 N734	R696-D700 WeakPolarHBondContact O-CB 3.42Å; R696-D700 PolarHBondContact O-N 3.15Å; D700-R702 VanDerWaalsContact C-N 3.27Å; D700-R702 PolarHBondContact O-N 3.18Å; D700-C703 PolarHBondContact O-N 3.4Å; D700-C703 VanDerWaalsContact O-N 3.13Å; D700-V704 WeakPolarHBondContact O-CG2 3.36Å; D700-V704 PolarHBondContact O-N 2.8Å; D700-L710 HydrophobicContact CB-CD2 4.38Å; D700-S732 VanDerWaalsContact OD1-CB 3.31Å; D700-S732 WeakPolarHBondContact OD1-CB 3.49Å; D700-S732 WeakPolarHBondContact OD2-CB 3.43Å; D700-S732 PolarHBondContact OD2-OG 2.87Å; D700-Y733 HydrophobicContact CB-CD1 4.47Å; D700-Y733 WeakPolarHBondContact OD1-CB 3.38Å; D700-Y733 PolarHBondContact OD1-N 3.41Å; D700-N734 VanDerWaalsContact OD2-CB 3.31Å; D700-N734 WeakPolarHBondContact OD2-CB 3.25Å; D700-N734 VanDerWaalsContact OD2-CG 3.23Å; D700-N734 PolarHBondContact OD2-N 2.89Å; D700-N734 PolarHBondContact OD2-ND2 2.68Å
701	S	93.9	Very high	92.5	Very high	56 Å²	56	27.3 Å²	27.3	39%	0.392	15%	0.145	S	C	.	.	H	α-helix	trans	-59.2	-38.4	178	-179.7	0	0	0	0	112.6	R697 Y698 L699 T705	R697-S701 WeakPolarHBondContact O-CB 3.49Å; R697-S701 PolarHBondContact O-N 3.22Å; Y698-S701 PolarHBondContact O-N 3.21Å; L699-S701 PolarHBondContact O-N 2.66Å; S701-T705 VanDerWaalsContact O-CB 3.23Å; S701-T705 WeakPolarHBondContact O-CB 3.14Å; S701-T705 PolarHBondContact O-N 3.31Å; S701-T705 PolarHBondContact O-OG1 3.43Å
702	R	93.9	Very high	92.9	Very high	12 Å²	12	21.8 Å²	21.8	5%	0.045	12%	0.116	C	C	.	.	H	α-helix	trans	-70.8	-40.6	175.8	-63.9	-67.2	-64.6	147.6	10.5	111.4	F645 E650 D656 Y698 L699 D700 T705 L706	F645-R702 HydrophobicContact CE1-CB 4.44Å; F645-R702 HydrophobicContact CE1-CG 4.16Å; F645-R702 HydrophobicContact CZ-CB 4.21Å; F645-R702 HydrophobicContact CZ-CG 4.17Å; E650-R702 IonicContact OE1-CZ 3.68Å; E650-R702 VanDerWaalsContact OE1-CZ 3.29Å; E650-R702 IonicContact OE1-NE 3.76Å; E650-R702 IonicContact OE1-NH1 3.86Å; E650-R702 PolarHBondContact OE1-NH1 2.95Å; D656-R702 IonicContact OD1-CZ 2.73Å; D656-R702 VanDerWaalsContact OD1-CZ 3.25Å; D656-R702 IonicContact OD1-NH1 3.94Å; D656-R702 PolarHBondContact OD1-NH1 2.84Å; D656-R702 IonicContact OD1-NH2 3.73Å; D656-R702 PolarHBondContact OD1-NH2 3.42Å; Y698-R702 HydrophobicContact CD2-CG 4.38Å; Y698-R702 HydrophobicContact CE1-CG 4.13Å; Y698-R702 HydrophobicContact CE2-CG 3.93Å; Y698-R702 VanDerWaalsContact O-CG 3.28Å; Y698-R702 WeakPolarHBondContact O-CG 3.46Å; Y698-R702 PolarHBondContact O-N 2.86Å; Y698-R702 VanDerWaalsContact O-N 3.07Å; L699-R702 PolarHBondContact O-N 2.89Å; L699-R702 VanDerWaalsContact O-N 3.15Å; D700-R702 VanDerWaalsContact C-N 3.27Å; D700-R702 PolarHBondContact O-N 3.18Å; R702-T705 PolarHBondContact O-N 3.31Å; R702-L706 WeakPolarHBondContact O-CB 3.47Å; R702-L706 WeakPolarHBondContact O-CG 3.32Å; R702-L706 PolarHBondContact O-N 2.81Å
703	C	94.4	Very high	93.5	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-46	174.8	-69.2	0	0	0	0	112.1	L699 D700 T705 L706 H707 L708 L710	L699-C703 PolarHBondContact O-N 2.91Å; L699-C703 PolarHBondContact O-SG 2.73Å; L699-C703 VanDerWaalsContact O-SG 3.36Å; D700-C703 PolarHBondContact O-N 3.4Å; D700-C703 VanDerWaalsContact O-N 3.13Å; C703-T705 VanDerWaalsContact C-N 3.35Å; C703-T705 PolarHBondContact O-N 3.39Å; C703-L706 CarbonylContact O-C 3.31Å; C703-L706 PolarHBondContact O-N 3.44Å; C703-H707 WeakPolarHBondContact O-CA 3.26Å; C703-H707 PolarHBondContact O-N 3.43Å; C703-L708 HydrophobicContact CB-CB 4.31Å; C703-L708 PolarHBondContact O-N 3.45Å; C703-L710 HydrophobicContact CB-CB 4.34Å; C703-L710 HydrophobicContact CB-CD2 4.5Å
704	V	91.6	Very high	93.9	Very high	24 Å²	24	19.6 Å²	19.6	15%	0.145	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-48	173.3	172.4	0	0	0	0	110.7	D700 L706 H707 L1260 W1261	D700-V704 WeakPolarHBondContact O-CG2 3.36Å; D700-V704 PolarHBondContact O-N 2.8Å; V704-L706 VanDerWaalsContact C-N 3.27Å; V704-L706 PolarHBondContact O-N 2.92Å; V704-H707 PolarHBondContact O-N 2.95Å; V704-H707 PolarHBondContact O-ND1 3.25Å; V704-L1260 HydrophobicContact CB-CD1 4.43Å; V704-L1260 HydrophobicContact CG1-CD1 3.63Å; V704-L1260 HydrophobicContact CG2-CD1 3.86Å; V704-W1261 HydrophobicContact CB-CZ3 4.22Å; V704-W1261 HydrophobicContact CG1-CE3 4.34Å; V704-W1261 HydrophobicContact CG2-CH2 3.92Å; V704-W1261 HydrophobicContact CG2-CZ2 4.38Å; V704-W1261 HydrophobicContact CG2-CZ3 4.02Å
705	T	88.3	Confident	94.2	Very high	25 Å²	25	18.3 Å²	18.3	15%	0.153	9%	0.094	C	C	.	.	H	α-helix	trans	-59.1	-38	178.8	-68.8	0	0	0	0	112.3	S701 R702 C703 R1263	S701-T705 VanDerWaalsContact O-CB 3.23Å; S701-T705 WeakPolarHBondContact O-CB 3.14Å; S701-T705 PolarHBondContact O-N 3.31Å; S701-T705 PolarHBondContact O-OG1 3.43Å; R702-T705 PolarHBondContact O-N 3.31Å; C703-T705 VanDerWaalsContact C-N 3.35Å; C703-T705 PolarHBondContact O-N 3.39Å; T705-R1263 PolarHBondContact O-NH1 3.3Å
706	L	88.3	Confident	94.2	Very high	13 Å²	13	19.8 Å²	19.8	7%	0.068	10%	0.101	C	C	.	.	H	α-helix	trans	-98.8	5.3	-176.7	-62.6	177.5	0	0	0	113.5	D656 L659 L660 R702 C703 V704 L708	D656-L706 HydrophobicContact CB-CD2 3.94Å; L659-L706 HydrophobicContact CB-CD1 3.67Å; L659-L706 HydrophobicContact CD1-CD1 3.64Å; L659-L706 HydrophobicContact CG-CD1 4.28Å; L660-L706 HydrophobicContact CD2-CB 4.49Å; R702-L706 WeakPolarHBondContact O-CB 3.47Å; R702-L706 WeakPolarHBondContact O-CG 3.32Å; R702-L706 PolarHBondContact O-N 2.81Å; C703-L706 CarbonylContact O-C 3.31Å; C703-L706 PolarHBondContact O-N 3.44Å; V704-L706 VanDerWaalsContact C-N 3.27Å; V704-L706 PolarHBondContact O-N 2.92Å; L706-L708 HydrophobicContact CB-CD1 3.84Å; L706-L708 HydrophobicContact CB-CG 3.72Å; L706-L708 HydrophobicContact CD1-CD1 4.15Å; L706-L708 PolarHBondContact O-N 3.2Å
707	H	89.8	Confident	94.2	Very high	44 Å²	44	18.9 Å²	18.9	20%	0.204	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	43	-174.1	-65.7	48.1	0	0	0	112.2	C703 V704 P727 D728 W1261	C703-H707 WeakPolarHBondContact O-CA 3.26Å; C703-H707 PolarHBondContact O-N 3.43Å; V704-H707 PolarHBondContact O-N 2.95Å; V704-H707 PolarHBondContact O-ND1 3.25Å; H707-P727 HydrophobicContact CB-CB 4.31Å; H707-P727 VanDerWaalsContact O-CG 3.28Å; H707-P727 WeakPolarHBondContact O-CG 3.36Å; H707-D728 IonicContact CD2-OD1 2.87Å; H707-W1261 PolarHBondContact CE1-O 3.13Å; H707-W1261 PolarHBondContact NE2-O 3.4Å
708	L	92.4	Very high	94.3	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	8%	0.08	C	C	.	.			trans	-96.2	134.2	178.9	-60.2	177.1	0	0	0	110.4	L659 L660 T663 H683 V686 C703 L706	L659-L708 HydrophobicContact CB-CD1 4.21Å; L660-L708 HydrophobicContact CD2-CD2 4.35Å; T663-L708 HydrophobicContact CG2-CD1 4.31Å; T663-L708 HydrophobicContact CG2-CD2 4.34Å; T663-L708 WeakPolarHBondContact OG1-CD2 3.45Å; H683-L708 HydrophobicContact CB-CD2 4.45Å; V686-L708 HydrophobicContact CG2-CB 4.13Å; V686-L708 HydrophobicContact CG2-CD1 4.2Å; C703-L708 HydrophobicContact CB-CB 4.31Å; C703-L708 PolarHBondContact O-N 3.45Å; L706-L708 HydrophobicContact CB-CD1 3.84Å; L706-L708 HydrophobicContact CB-CG 3.72Å; L706-L708 HydrophobicContact CD1-CD1 4.15Å; L706-L708 PolarHBondContact O-N 3.2Å
709	P	94.8	Very high	94.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.088	C	C	.	.			trans	-70	139.7	171.7	31.6	-35.2	0	0	0	110.7	H683 G684 I685 V686 L726 Y1182	H683-P709 HydrophobicContact CB-CG 4.45Å; G684-P709 WeakPolarHBondContact O-CG 3.49Å; I685-P709 HydrophobicContact CB-CG 4.35Å; I685-P709 HydrophobicContact CG1-CB 4.33Å; I685-P709 HydrophobicContact CG1-CG 4.19Å; V686-P709 PolarHBondContact N-O 2.94Å; P709-L726 HydrophobicContact CB-CD2 4.29Å; P709-Y1182 HydrophobicContact CB-CE2 4.12Å; P709-Y1182 HydrophobicContact CG-CE1 4.17Å; P709-Y1182 HydrophobicContact CG-CE2 4.34Å; P709-Y1182 WeakPolarHBondContact CG-OH 3.2Å
710	L	97.2	Very high	94.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	-176.3	170	63.8	0	0	0	109.6	V686 A688 L699 D700 C703 I725	V686-L710 HydrophobicContact CB-CD1 4.05Å; V686-L710 HydrophobicContact CG1-CD1 3.79Å; V686-L710 WeakPolarHBondContact O-CA 3.36Å; A688-L710 HydrophobicContact CB-CD1 4.22Å; L699-L710 HydrophobicContact CD2-CD1 4.12Å; L699-L710 HydrophobicContact CG-CD1 4.49Å; D700-L710 HydrophobicContact CB-CD2 4.38Å; C703-L710 HydrophobicContact CB-CB 4.34Å; C703-L710 HydrophobicContact CB-CD2 4.5Å; L710-I725 HydrophobicContact CB-CB 4.14Å; L710-I725 HydrophobicContact CD2-CD1 3.78Å; L710-I725 HydrophobicContact CG-CD1 4.13Å; L710-I725 PolarHBondContact N-O 3.2Å; L710-I725 WeakPolarHBondContact O-CA 3.42Å; L710-I725 WeakPolarHBondContact O-CB 3.37Å; L710-I725 PolarHBondContact O-N 3.04Å; L710-I725 VanDerWaalsContact O-O 3.13Å
711	I	98.2	Very high	94.4	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.7	162.2	-57.7	169.4	0	0	0	107.4	I685 V686 L687 A688 V722 V1175 E1178 L1179	I685-I711 HydrophobicContact CD1-CD1 3.56Å; I685-I711 HydrophobicContact CD1-CG1 3.84Å; V686-I711 PolarHBondContact O-N 2.62Å; L687-I711 HydrophobicContact CD2-CB 3.9Å; L687-I711 HydrophobicContact CD2-CD1 4.13Å; L687-I711 HydrophobicContact CD2-CG1 4.35Å; A688-I711 PolarHBondContact N-O 3.39Å; A688-I711 VanDerWaalsContact N-O 3.09Å; I711-V722 HydrophobicContact CG2-CG1 3.73Å; I711-V1175 HydrophobicContact CB-CG1 4.37Å; I711-V1175 HydrophobicContact CG2-CB 4.29Å; I711-V1175 HydrophobicContact CG2-CG1 3.82Å; I711-V1175 HydrophobicContact CG2-CG2 4.12Å; I711-E1178 HydrophobicContact CD1-CB 4.02Å; I711-L1179 HydrophobicContact CD1-CB 4.17Å
712	E	97.5	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.8	179.4	-177.5	58.2	-135	0	0	110.4	A688 R696 V722 Q723 I725 Y733	A688-E712 WeakPolarHBondContact CB-OE2 3.46Å; R696-E712 WeakPolarHBondContact CD-OE1 3.36Å; R696-E712 WeakPolarHBondContact CG-OE1 3.4Å; R696-E712 IonicContact CZ-OE1 3.92Å; R696-E712 IonicContact NE-OE1 2.73Å; R696-E712 PolarHBondContact NE-OE1 3.29Å; R696-E712 IonicContact NH2-OE1 3.83Å; E712-V722 WeakPolarHBondContact O-CA 3.35Å; E712-Q723 HydrophobicContact CB-CB 4.4Å; E712-Q723 PolarHBondContact N-O 3.45Å; E712-Q723 PolarHBondContact O-N 2.9Å; E712-I725 HydrophobicContact CB-CD1 4.31Å; E712-Y733 HydrophobicContact CG-CD2 4.07Å; E712-Y733 HydrophobicContact CG-CE2 4.35Å
713	S	97.5	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	155.3	177.8	68.6	0	0	0	0	113.4	A688 R696 H721	A688-S713 PolarHBondContact O-OG 3.4Å; R696-S713 PolarHBondContact NH2-O 3.14Å; S713-H721 WeakPolarHBondContact CA-O 3.49Å
714	G	95.9	Very high	95	Very high	4 Å²	4	16.2 Å²	16.2	4%	0.041	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	157.1	178.2	0	0	0	0	0	113.1	G720 H721	G714-G720 CarbonylContact O-C 3.49Å; G714-G720 VanDerWaalsContact O-CA 3.22Å; G714-G720 WeakPolarHBondContact O-CA 3.46Å; G714-H721 PolarHBondContact N-O 2.91Å; G714-H721 PolarHBondContact O-N 3.16Å
715	T	95.6	Very high	95.2	Very high	34 Å²	34	15 Å²	15	21%	0.209	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.4	177.9	58.8	0	0	0	0	110.7	I457 K719 T1167 V1171	I457-T715 HydrophobicContact CD1-CG2 4.02Å; I457-T715 HydrophobicContact CG1-CG2 4.26Å; T715-K719 CarbonylContact C-O 3.58Å; T715-K719 WeakPolarHBondContact CA-O 3.48Å; T715-T1167 HydrophobicContact CG2-CG2 3.92Å; T715-V1171 HydrophobicContact CG2-CB 4.16Å; T715-V1171 HydrophobicContact CG2-CG1 4.42Å; T715-V1171 HydrophobicContact CG2-CG2 3.86Å
716	L	92.2	Very high	95.4	Very high	44 Å²	44	14 Å²	14	23%	0.23	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	101.2	172.8	-178.9	65.7	0	0	0	109.2	T718 K719 I749 V1161	L716-T718 PolarHBondContact O-N 2.83Å; L716-T718 VanDerWaalsContact O-N 3.14Å; L716-K719 PolarHBondContact N-O 3.45Å; L716-K719 VanDerWaalsContact O-CB 3.3Å; L716-K719 WeakPolarHBondContact O-CB 3.42Å; L716-K719 PolarHBondContact O-N 2.71Å; L716-I749 HydrophobicContact CD1-CD1 3.83Å; L716-I749 HydrophobicContact CD1-CG1 3.92Å; L716-I749 HydrophobicContact CD2-CD1 4.44Å; L716-I749 HydrophobicContact CD2-CG1 3.9Å; L716-I749 HydrophobicContact CG-CD1 4.2Å; L716-I749 HydrophobicContact CG-CG1 4.19Å; L716-V1161 HydrophobicContact CD1-CG1 3.66Å
717	G	93.6	Very high	95.5	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.021	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	57	-118.1	-172.5	0	0	0	0	0	110.8	P1162 I1164 T1167	G717-P1162 PolarHBondContact N-O 3.46Å; G717-I1164 WeakPolarHBondContact O-CG2 3.39Å; G717-T1167 PolarHBondContact O-OG1 3.11Å
718	T	96.5	Very high	95.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.6	177.1	64.8	0	0	0	0	114.1	V16 D190 F395 L716 T1167 N1233 L1234 A1235	V16-T718 HydrophobicContact CG1-CG2 3.64Å; D190-T718 PolarHBondContact OD2-N 2.64Å; D190-T718 PolarHBondContact OD2-OG1 3.39Å; F395-T718 HydrophobicContact CD2-CG2 4.2Å; F395-T718 HydrophobicContact CE2-CG2 3.62Å; F395-T718 HydrophobicContact CZ-CG2 4.18Å; L716-T718 PolarHBondContact O-N 2.83Å; L716-T718 VanDerWaalsContact O-N 3.14Å; T718-T1167 WeakPolarHBondContact CA-OG1 3.33Å; T718-T1167 PolarHBondContact O-OG1 3Å; T718-N1233 PolarHBondContact OG1-OD1 3.02Å; T718-L1234 PolarHBondContact O-N 3.21Å; T718-A1235 VanDerWaalsContact CB-N 3.29Å; T718-A1235 HydrophobicContact CG2-CB 3.9Å; T718-A1235 WeakPolarHBondContact OG1-CB 3.35Å; T718-A1235 PolarHBondContact OG1-N 2.93Å; T718-A1235 VanDerWaalsContact OG1-N 3.16Å
719	K	97.6	Very high	95.4	Very high	62 Å²	62	14.9 Å²	14.9	27%	0.27	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	148	-179.6	-54.1	168.4	-173.3	174.3	0	111.3	D190 E191 T715 L716 T1167 L1232 N1233	D190-K719 WeakPolarHBondContact OD1-CE 3.43Å; E191-K719 IonicContact OE1-NZ 3.82Å; E191-K719 PolarHBondContact OE1-NZ 2.61Å; T715-K719 CarbonylContact C-O 3.58Å; T715-K719 WeakPolarHBondContact CA-O 3.48Å; L716-K719 PolarHBondContact N-O 3.45Å; L716-K719 VanDerWaalsContact O-CB 3.3Å; L716-K719 WeakPolarHBondContact O-CB 3.42Å; L716-K719 PolarHBondContact O-N 2.71Å; K719-T1167 WeakPolarHBondContact O-CG2 3.25Å; K719-L1232 CarbonylContact C-O 3.48Å; K719-L1232 VanDerWaalsContact CA-O 3.23Å; K719-L1232 WeakPolarHBondContact CA-O 3.47Å; K719-N1233 HydrophobicContact CG-CB 4.12Å
720	G	97	Very high	95.3	Very high	8 Å²	8	14.9 Å²	14.9	8%	0.082	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.8	174.9	0	0	0	0	0	113.1	G714 L1232	G714-G720 CarbonylContact O-C 3.49Å; G714-G720 VanDerWaalsContact O-CA 3.22Å; G714-G720 WeakPolarHBondContact O-CA 3.46Å; G720-L1232 PolarHBondContact N-O 3.45Å; G720-L1232 PolarHBondContact O-N 2.88Å
721	H	97.2	Very high	95.1	Very high	55 Å²	55	16.9 Å²	16.9	26%	0.255	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.9	174.7	70.5	-87.3	0	0	0	112.4	S713 G714 S1230 F1231	S713-H721 WeakPolarHBondContact CA-O 3.49Å; G714-H721 PolarHBondContact N-O 2.91Å; G714-H721 PolarHBondContact O-N 3.16Å; H721-S1230 CarbonylContact C-O 3.6Å; H721-S1230 WeakPolarHBondContact CA-O 3.34Å; H721-F1231 HydrophobicContact CB-CD1 3.87Å; H721-F1231 HydrophobicContact CB-CE1 4.18Å
722	V	98.3	Very high	94.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	128	169.4	179.5	0	0	0	0	108.1	I711 E712 V1171 L1174 V1175 E1178 N1229 S1230	I711-V722 HydrophobicContact CG2-CG1 3.73Å; E712-V722 WeakPolarHBondContact O-CA 3.35Å; V722-V1171 HydrophobicContact CG2-CG1 4.01Å; V722-L1174 HydrophobicContact CG2-CB 3.8Å; V722-V1175 HydrophobicContact CB-CG2 4.48Å; V722-V1175 HydrophobicContact CG1-CG2 3.92Å; V722-V1175 HydrophobicContact CG2-CG2 3.76Å; V722-E1178 HydrophobicContact CG1-CG 4.46Å; V722-N1229 CarbonylContact O-C 3.6Å; V722-N1229 VanDerWaalsContact O-CA 3.26Å; V722-N1229 WeakPolarHBondContact O-CA 3.36Å; V722-S1230 PolarHBondContact N-O 3.18Å; V722-S1230 PolarHBondContact O-N 2.9Å
723	Q	97.6	Very high	94.8	Very high	16 Å²	16	17.9 Å²	17.9	8%	0.075	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.9	177.7	-172.3	177.2	10.7	0	0	110.5	E712 I725 N1229	E712-Q723 HydrophobicContact CB-CB 4.4Å; E712-Q723 PolarHBondContact N-O 3.45Å; E712-Q723 PolarHBondContact O-N 2.9Å; Q723-I725 HydrophobicContact CG-CG1 4.3Å; Q723-N1229 WeakPolarHBondContact CA-OD1 3.47Å
724	V	97.3	Very high	94.5	Very high	3 Å²	3	21 Å²	21	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.8	-178.7	-173.5	0	0	0	0	109.3	L726 E1178 N1229 P1244	V724-L726 HydrophobicContact CG1-CD1 4.08Å; V724-L726 HydrophobicContact CG1-CD2 3.92Å; V724-L726 HydrophobicContact CG1-CG 3.84Å; V724-E1178 HydrophobicContact CG2-CB 3.81Å; V724-E1178 HydrophobicContact CG2-CG 3.68Å; V724-N1229 PolarHBondContact N-OD1 3.08Å; V724-P1244 HydrophobicContact CB-CG 4.21Å
725	I	96.2	Very high	94	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.4	-176.6	-61.6	157.3	0	0	0	108.8	L710 E712 Q723 T730 W1261	L710-I725 HydrophobicContact CB-CB 4.14Å; L710-I725 HydrophobicContact CD2-CD1 3.78Å; L710-I725 HydrophobicContact CG-CD1 4.13Å; L710-I725 PolarHBondContact N-O 3.2Å; L710-I725 WeakPolarHBondContact O-CA 3.42Å; L710-I725 WeakPolarHBondContact O-CB 3.37Å; L710-I725 PolarHBondContact O-N 3.04Å; L710-I725 VanDerWaalsContact O-O 3.13Å; E712-I725 HydrophobicContact CB-CD1 4.31Å; Q723-I725 HydrophobicContact CG-CG1 4.3Å; I725-T730 WeakPolarHBondContact CA-OG1 3.24Å; I725-W1261 HydrophobicContact CG2-CH2 3.87Å; I725-W1261 HydrophobicContact CG2-CZ2 3.83Å
726	L	93.5	Very high	93.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.137	C	C	.	.			trans	-121.1	127	-171.8	-57.5	171.8	0	0	0	110.8	P709 V724 D728 I729 T730 Y1182 L1225	P709-L726 HydrophobicContact CB-CD2 4.29Å; V724-L726 HydrophobicContact CG1-CD1 4.08Å; V724-L726 HydrophobicContact CG1-CD2 3.92Å; V724-L726 HydrophobicContact CG1-CG 3.84Å; L726-D728 PolarHBondContact O-N 2.88Å; L726-I729 HydrophobicContact CB-CB 4.09Å; L726-I729 HydrophobicContact CB-CD1 4.29Å; L726-I729 HydrophobicContact CD1-CD1 4.47Å; L726-I729 PolarHBondContact O-N 3.37Å; L726-T730 HydrophobicContact CB-CG2 4.09Å; L726-T730 HydrophobicContact CD1-CG2 4.26Å; L726-T730 HydrophobicContact CG-CG2 4.29Å; L726-T730 PolarHBondContact N-OG1 3.42Å; L726-T730 PolarHBondContact O-N 3.41Å; L726-T730 VanDerWaalsContact O-N 3.09Å; L726-T730 PolarHBondContact O-OG1 2.9Å; L726-Y1182 HydrophobicContact CD2-CD2 3.71Å; L726-Y1182 HydrophobicContact CD2-CE2 4.03Å; L726-L1225 HydrophobicContact CD1-CD1 3.45Å; L726-L1225 VanDerWaalsContact CD1-CD1 3.45Å
727	P	90.5	Very high	92.2	Very high	21 Å²	21	30.4 Å²	30.4	14%	0.136	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	138.2	178.1	-25.8	33.3	0	0	0	112.6	H707 I729 W1261	H707-P727 HydrophobicContact CB-CB 4.31Å; H707-P727 VanDerWaalsContact O-CG 3.28Å; H707-P727 WeakPolarHBondContact O-CG 3.36Å; P727-I729 PolarHBondContact O-N 2.8Å; P727-W1261 HydrophobicContact CB-CD2 4.4Å; P727-W1261 HydrophobicContact CB-CE3 3.91Å; P727-W1261 HydrophobicContact CB-CH2 4.38Å; P727-W1261 HydrophobicContact CB-CZ3 3.88Å; P727-W1261 HydrophobicContact CG-CE3 4.45Å; P727-W1261 HydrophobicContact CG-CH2 4.22Å; P727-W1261 HydrophobicContact CG-CZ3 3.9Å
728	D	87.3	Confident	90.9	Very high	53 Å²	53	33.6 Å²	33.6	28%	0.283	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	4.4	179.3	-47.9	-43.9	0	0	0	115.3	H707 L726 W1261	H707-D728 IonicContact CD2-OD1 2.87Å; L726-D728 PolarHBondContact O-N 2.88Å; D728-W1261 VanDerWaalsContact N-CG 3.3Å; D728-W1261 VanDerWaalsContact OD1-CB 3.29Å; D728-W1261 WeakPolarHBondContact OD1-CB 3.23Å
729	I	90.9	Very high	88.9	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-65.1	-175.2	-60.1	171.1	0	0	0	110.7	L726 P727 R1221 L1222 L1225 L1246 C1247	L726-I729 HydrophobicContact CB-CB 4.09Å; L726-I729 HydrophobicContact CB-CD1 4.29Å; L726-I729 HydrophobicContact CD1-CD1 4.47Å; L726-I729 PolarHBondContact O-N 3.37Å; P727-I729 PolarHBondContact O-N 2.8Å; I729-R1221 HydrophobicContact CD1-CB 3.8Å; I729-R1221 HydrophobicContact CG1-CB 4.17Å; I729-L1222 HydrophobicContact CG2-CB 3.79Å; I729-L1222 HydrophobicContact CG2-CD1 4.11Å; I729-L1222 HydrophobicContact CG2-CG 4.44Å; I729-L1225 HydrophobicContact CD1-CD1 3.82Å; I729-L1246 HydrophobicContact CG2-CD2 4.45Å; I729-L1246 WeakPolarHBondContact O-CA 3.43Å; I729-C1247 PolarHBondContact O-N 2.91Å
730	T	94.1	Very high	86.2	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-98.6	163.4	-169.9	69.4	0	0	0	0	111.5	I725 L726 L1222 P1244 G1245 C1247 W1261	I725-T730 WeakPolarHBondContact CA-OG1 3.24Å; L726-T730 HydrophobicContact CB-CG2 4.09Å; L726-T730 HydrophobicContact CD1-CG2 4.26Å; L726-T730 HydrophobicContact CG-CG2 4.29Å; L726-T730 PolarHBondContact N-OG1 3.42Å; L726-T730 PolarHBondContact O-N 3.41Å; L726-T730 VanDerWaalsContact O-N 3.09Å; L726-T730 PolarHBondContact O-OG1 2.9Å; T730-L1222 HydrophobicContact CG2-CD1 4.1Å; T730-P1244 HydrophobicContact CG2-CB 3.61Å; T730-P1244 HydrophobicContact CG2-CG 4.45Å; T730-G1245 CarbonylContact C-O 3.56Å; T730-G1245 WeakPolarHBondContact CA-O 3.39Å; T730-G1245 WeakPolarHBondContact CB-O 3.46Å; T730-C1247 WeakPolarHBondContact O-CB 3.35Å; T730-W1261 PolarHBondContact O-NE1 2.77Å
731	E	93.4	Very high	83.5	Confident	42 Å²	42	46.7 Å²	46.7	20%	0.196	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-59.3	163.2	160	70.6	-172.2	164.3	0	0	111.7	Q736 G1245	E731-Q736 PolarHBondContact OE1-NE2 2.82Å; E731-G1245 PolarHBondContact N-O 3.18Å
732	S	94	Very high	80.8	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.049	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-96.5	166.5	175.8	94.2	0	0	0	0	110.9	D700 N734 S735	D700-S732 VanDerWaalsContact OD1-CB 3.31Å; D700-S732 WeakPolarHBondContact OD1-CB 3.49Å; D700-S732 WeakPolarHBondContact OD2-CB 3.43Å; D700-S732 PolarHBondContact OD2-OG 2.87Å; S732-N734 PolarHBondContact O-N 2.91Å; S732-N734 PolarHBondContact OG-N 3.36Å; S732-S735 PolarHBondContact N-OG 3.32Å; S732-S735 VanDerWaalsContact N-OG 3.15Å; S732-S735 VanDerWaalsContact O-CB 3.23Å; S732-S735 WeakPolarHBondContact O-CB 3.43Å; S732-S735 PolarHBondContact O-N 2.86Å; S732-S735 PolarHBondContact O-OG 3.37Å; S732-S735 PolarHBondContact OG-OG 3.36Å
733	Y	93.5	Very high	77.8	Confident	16 Å²	16	53.3 Å²	53.3	6%	0.063	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-55.5	-41.7	175.3	178	-102.1	0	0	0	111.5	V693 R696 R697 D700 E712 S735 Q736 D738	V693-Y733 HydrophobicContact CG1-CE1 4.44Å; R696-Y733 HydrophobicContact CB-CD1 4.17Å; R696-Y733 HydrophobicContact CB-CE1 3.65Å; R697-Y733 HydrophobicContact CG-CD1 4.2Å; R697-Y733 HydrophobicContact CG-CE1 3.82Å; D700-Y733 HydrophobicContact CB-CD1 4.47Å; D700-Y733 WeakPolarHBondContact OD1-CB 3.38Å; D700-Y733 PolarHBondContact OD1-N 3.41Å; E712-Y733 HydrophobicContact CG-CD2 4.07Å; E712-Y733 HydrophobicContact CG-CE2 4.35Å; Y733-S735 PolarHBondContact O-N 3.41Å; Y733-S735 VanDerWaalsContact O-N 3.16Å; Y733-Q736 PolarHBondContact O-N 2.54Å; Y733-D738 PolarHBondContact OH-OD2 3.47Å; Y733-D738 VanDerWaalsContact OH-OD2 3.05Å
734	N	91.4	Very high	74.9	Confident	65 Å²	65	53.5 Å²	53.5	35%	0.348	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-70	-5.4	178.3	-71.2	-45.1	0	0	0	114.9	R697 D700 S732 Q736	R697-N734 WeakPolarHBondContact CA-OD1 3.46Å; R697-N734 WeakPolarHBondContact CB-OD1 3.38Å; R697-N734 WeakPolarHBondContact CG-OD1 3.23Å; R697-N734 PolarHBondContact O-ND2 2.63Å; D700-N734 VanDerWaalsContact OD2-CB 3.31Å; D700-N734 WeakPolarHBondContact OD2-CB 3.25Å; D700-N734 VanDerWaalsContact OD2-CG 3.23Å; D700-N734 PolarHBondContact OD2-N 2.89Å; D700-N734 PolarHBondContact OD2-ND2 2.68Å; S732-N734 PolarHBondContact O-N 2.91Å; S732-N734 PolarHBondContact OG-N 3.36Å; N734-Q736 VanDerWaalsContact C-N 3.29Å
735	S	87	Confident	71.9	Confident	60 Å²	60	54.3 Å²	54.3	42%	0.42	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-77.1	-19.8	177	-55.9	0	0	0	0	112.3	S732 Y733	S732-S735 PolarHBondContact N-OG 3.32Å; S732-S735 VanDerWaalsContact N-OG 3.15Å; S732-S735 VanDerWaalsContact O-CB 3.23Å; S732-S735 WeakPolarHBondContact O-CB 3.43Å; S732-S735 PolarHBondContact O-N 2.86Å; S732-S735 PolarHBondContact O-OG 3.37Å; S732-S735 PolarHBondContact OG-OG 3.36Å; Y733-S735 PolarHBondContact O-N 3.41Å; Y733-S735 VanDerWaalsContact O-N 3.16Å
736	Q	79.9	Confident	69	Low	82 Å²	82	57.5 Å²	57.5	38%	0.383	31%	0.309	S	S	.	.	S	Bend	trans	-104.5	141.5	176.4	-59	-177.3	0.8	0	0	110.1	E731 Y733 N734	E731-Q736 PolarHBondContact OE1-NE2 2.82Å; Y733-Q736 PolarHBondContact O-N 2.54Å; N734-Q736 VanDerWaalsContact C-N 3.29Å
737	M	70.1	Confident	66.3	Low	137 Å²	137	58.8 Å²	58.8	68%	0.675	32%	0.324	S	S	*	.			trans	-99	112.2	170	-65.6	-169.3	76	0	0	108.7	D739 N740	M737-D739 PolarHBondContact O-N 3.12Å; M737-N740 VanDerWaalsContact CE-ND2 3.31Å; M737-N740 WeakPolarHBondContact CE-ND2 3.26Å
738	D	66	Low	64	Low	69 Å²	69	58.4 Å²	58.4	37%	0.369	32%	0.32	S	S	.	.			trans	-56.1	135.9	159.6	-61.4	-37	0	0	0	108.1	Y733 N740	Y733-D738 PolarHBondContact OH-OD2 3.47Å; Y733-D738 VanDerWaalsContact OH-OD2 3.05Å; D738-N740 PolarHBondContact O-N 3.34Å; D738-N740 VanDerWaalsContact O-N 3.09Å
739	D	53.1	Low	62	Low	132 Å²	132	59.6 Å²	59.6	71%	0.706	33%	0.326	S	S	*	.			trans	-48.6	119.4	-174.7	-88.2	-26.8	0	0	0	111.1	M737 N741 D742	M737-D739 PolarHBondContact O-N 3.12Å; D739-N741 PolarHBondContact O-N 3.09Å; D739-D742 PolarHBondContact O-N 2.86Å
740	N	42.4	Very low	60	Low	104 Å²	104	61.2 Å²	61.2	56%	0.556	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	3.2	-176.9	-73.1	-40.5	0	0	0	114.7	M737 D738 D742 I743	M737-N740 VanDerWaalsContact CE-ND2 3.31Å; M737-N740 WeakPolarHBondContact CE-ND2 3.26Å; D738-N740 PolarHBondContact O-N 3.34Å; D738-N740 VanDerWaalsContact O-N 3.09Å; N740-D742 PolarHBondContact O-N 3.05Å; N740-I743 WeakPolarHBondContact O-CG1 3.25Å
741	N	40	Very low	57.6	Low	109 Å²	109	63.8 Å²	63.8	58%	0.583	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.3	167.4	-68.6	-29.8	0	0	0	111.8	D739 I743	D739-N741 PolarHBondContact O-N 3.09Å; N741-I743 PolarHBondContact O-N 2.9Å
742	D	40.8	Very low	55.4	Low	71 Å²	71	65.9 Å²	65.9	38%	0.38	36%	0.363	S	S	.	.			trans	-95.1	61.4	170.4	-67.6	-17.4	0	0	0	111	D739 N740 D744	D739-D742 PolarHBondContact O-N 2.86Å; N740-D742 PolarHBondContact O-N 3.05Å; D742-D744 CarbonylContact O-C 3.52Å; D742-D744 PolarHBondContact O-N 3.23Å
743	I	34.5	Very low	53.3	Low	124 Å²	124	66.1 Å²	66.1	64%	0.636	36%	0.364	S	S	*	.			trans	-58.7	-17.1	-178.4	-59.8	177.9	0	0	0	112.5	N740 N741 N754	N740-I743 WeakPolarHBondContact O-CG1 3.25Å; N741-I743 PolarHBondContact O-N 2.9Å; I743-N754 HydrophobicContact CB-CB 4.39Å
744	D	36.1	Very low	51.1	Low	20 Å²	20	68.3 Å²	68.3	11%	0.107	38%	0.376	C	S	.	.	S	Bend	trans	-102.8	113.8	162.4	49.6	-4.5	0	0	0	110.3	D742 N746 N748 N754 R1159	D742-D744 CarbonylContact O-C 3.52Å; D742-D744 PolarHBondContact O-N 3.23Å; D744-N746 HydrophobicContact CB-CB 4.5Å; D744-N746 PolarHBondContact O-N 2.69Å; D744-N748 PolarHBondContact OD2-ND2 2.78Å; D744-N754 PolarHBondContact OD1-ND2 3.41Å; D744-N754 PolarHBondContact OD2-ND2 2.85Å; D744-R1159 IonicContact OD2-CZ 3.99Å; D744-R1159 IonicContact OD2-NE 2.87Å; D744-R1159 IonicContact OD2-NH1 3.09Å
745	G	36	Very low	49.8	Very low	20 Å²	20	68.8 Å²	68.8	21%	0.206	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	39.7	170.8	0	0	0	0	0	115.6	C692 V693	C692-G745 CarbonylContact C-O 3.52Å; C692-G745 WeakPolarHBondContact CA-O 3.5Å; V693-G745 PolarHBondContact N-O 3.47Å
746	N	35.3	Very low	49.2	Very low	67 Å²	67	67 Å²	67	36%	0.358	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	11.9	-178.2	-92.1	28.5	0	0	0	112.8	D744 N748 V1161	D744-N746 HydrophobicContact CB-CB 4.5Å; D744-N746 PolarHBondContact O-N 2.69Å; N746-N748 VanDerWaalsContact C-N 3.29Å; N746-N748 PolarHBondContact O-N 2.88Å; N746-V1161 WeakPolarHBondContact O-CG2 3.44Å
747	G	36.7	Very low	49.3	Very low	31 Å²	31	65.1 Å²	65.1	32%	0.32	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	35.5	175.2	0	0	0	0	0	113.5	I749	G747-I749 PolarHBondContact O-N 2.78Å
748	N	40.8	Very low	49.9	Very low	13 Å²	13	64.3 Å²	64.3	7%	0.07	35%	0.353	C	S	.	.			trans	-70.4	113	-178.1	-111.6	-18.7	0	0	0	109.7	D744 N746 D750 R1159	D744-N748 PolarHBondContact OD2-ND2 2.78Å; N746-N748 VanDerWaalsContact C-N 3.29Å; N746-N748 PolarHBondContact O-N 2.88Å; N748-D750 PolarHBondContact O-N 3.49Å; N748-D750 VanDerWaalsContact O-N 3.16Å; N748-R1159 WeakPolarHBondContact ND2-CD 3.44Å
749	I	45.8	Very low	50.8	Low	79 Å²	79	61.5 Å²	61.5	41%	0.405	34%	0.339	S	S	.	.	S	Bend	trans	-61.7	-23	176.5	-66.4	159.8	0	0	0	111.7	L716 G747 S751 P1162	L716-I749 HydrophobicContact CD1-CD1 3.83Å; L716-I749 HydrophobicContact CD1-CG1 3.92Å; L716-I749 HydrophobicContact CD2-CD1 4.44Å; L716-I749 HydrophobicContact CD2-CG1 3.9Å; L716-I749 HydrophobicContact CG-CD1 4.2Å; L716-I749 HydrophobicContact CG-CG1 4.19Å; G747-I749 PolarHBondContact O-N 2.78Å; I749-S751 PolarHBondContact O-N 3.05Å; I749-P1162 HydrophobicContact CD1-CB 4.4Å; I749-P1162 HydrophobicContact CD1-CG 3.33Å
750	D	49.1	Very low	52.5	Low	36 Å²	36	56.2 Å²	56.2	19%	0.193	31%	0.311	C	S	.	.			trans	-92.5	71.1	176.5	-58.2	-34	0	0	0	109.8	N748 Q752 V753 I769	N748-D750 PolarHBondContact O-N 3.49Å; N748-D750 VanDerWaalsContact O-N 3.16Å; D750-Q752 PolarHBondContact O-N 2.69Å; D750-V753 HydrophobicContact CB-CG2 3.84Å; D750-V753 PolarHBondContact O-N 2.9Å; D750-I769 HydrophobicContact CB-CD1 3.85Å
751	S	42.8	Very low	54.7	Low	56 Å²	56	53.1 Å²	53.1	39%	0.392	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-12.1	173	60.9	0	0	0	0	113.9	I749 T755	I749-S751 PolarHBondContact O-N 3.05Å; S751-T755 PolarHBondContact O-OG1 3.08Å; S751-T755 VanDerWaalsContact O-OG1 3.05Å
752	Q	47.5	Very low	57	Low	85 Å²	85	52.8 Å²	52.8	40%	0.397	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.7	173.3	-63.2	-175.6	14	0	0	113.8	D750 N754 T755 I756	D750-Q752 PolarHBondContact O-N 2.69Å; Q752-N754 PolarHBondContact O-N 2.92Å; Q752-T755 VanDerWaalsContact CA-OG1 3.3Å; Q752-T755 WeakPolarHBondContact CA-OG1 3.14Å; Q752-T755 CarbonylContact O-C 3.51Å; Q752-T755 PolarHBondContact O-N 2.99Å; Q752-T755 VanDerWaalsContact O-N 3.11Å; Q752-T755 PolarHBondContact O-OG1 3.35Å; Q752-T755 VanDerWaalsContact O-OG1 3.07Å; Q752-I756 WeakPolarHBondContact O-CG1 3.16Å; Q752-I756 PolarHBondContact O-N 2.88Å; Q752-I756 VanDerWaalsContact O-N 3.09Å
753	V	50	Low	59.4	Low	12 Å²	12	50 Å²	50	7%	0.073	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-41.2	-169.3	170.4	0	0	0	0	113	D750 I756 I769 E773	D750-V753 HydrophobicContact CB-CG2 3.84Å; D750-V753 PolarHBondContact O-N 2.9Å; V753-I756 WeakPolarHBondContact O-CG1 3.18Å; V753-I769 HydrophobicContact CG2-CD1 3.75Å; V753-I769 HydrophobicContact CG2-CG1 4.23Å; V753-E773 HydrophobicContact CG1-CG 3.75Å; V753-E773 HydrophobicContact CG2-CG 4.28Å
754	N	48	Very low	62.1	Low	62 Å²	62	44.3 Å²	44.3	33%	0.332	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.3	-179.3	-65.2	-36.3	0	0	0	113.4	I743 D744 Q752	I743-N754 HydrophobicContact CB-CB 4.39Å; D744-N754 PolarHBondContact OD1-ND2 3.41Å; D744-N754 PolarHBondContact OD2-ND2 2.85Å; Q752-N754 PolarHBondContact O-N 2.92Å
755	T	63.2	Low	64.8	Low	75 Å²	75	43.3 Å²	43.3	46%	0.46	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	3.1	176.5	55.7	0	0	0	0	112.6	S751 Q752 P757	S751-T755 PolarHBondContact O-OG1 3.08Å; S751-T755 VanDerWaalsContact O-OG1 3.05Å; Q752-T755 VanDerWaalsContact CA-OG1 3.3Å; Q752-T755 WeakPolarHBondContact CA-OG1 3.14Å; Q752-T755 CarbonylContact O-C 3.51Å; Q752-T755 PolarHBondContact O-N 2.99Å; Q752-T755 VanDerWaalsContact O-N 3.11Å; Q752-T755 PolarHBondContact O-OG1 3.35Å; Q752-T755 VanDerWaalsContact O-OG1 3.07Å; T755-P757 WeakPolarHBondContact O-CD 3.38Å
756	I	75.7	Confident	67.2	Low	22 Å²	22	43 Å²	43	11%	0.113	23%	0.233	C	C	.	.			trans	-63.9	119.4	176.9	-51.5	175.5	0	0	0	109.2	Q752 V753 Y758 T760 L761 E773	Q752-I756 WeakPolarHBondContact O-CG1 3.16Å; Q752-I756 PolarHBondContact O-N 2.88Å; Q752-I756 VanDerWaalsContact O-N 3.09Å; V753-I756 WeakPolarHBondContact O-CG1 3.18Å; I756-Y758 PolarHBondContact O-N 3.36Å; I756-T760 HydrophobicContact CG2-CG2 3.82Å; I756-L761 HydrophobicContact CG2-CB 4.02Å; I756-E773 HydrophobicContact CD1-CB 4.03Å; I756-E773 HydrophobicContact CD1-CG 3.94Å
757	P	80.5	Confident	69.7	Low	43 Å²	43	40.7 Å²	40.7	28%	0.279	22%	0.221	S	C	.	.			trans	-58.6	141.3	177.5	-27	36.6	0	0	0	112.2	T755 C759 T760 L761 E1034	T755-P757 WeakPolarHBondContact O-CD 3.38Å; P757-C759 VanDerWaalsContact C-N 3.25Å; P757-C759 PolarHBondContact O-N 3.32Å; P757-T760 WeakPolarHBondContact O-CA 3.5Å; P757-T760 VanDerWaalsContact O-CB 3.27Å; P757-T760 WeakPolarHBondContact O-CB 3.49Å; P757-T760 PolarHBondContact O-N 3.25Å; P757-L761 PolarHBondContact O-N 3.23Å; P757-E1034 VanDerWaalsContact CA-CD 3.5Å; P757-E1034 WeakPolarHBondContact CA-OE1 3.4Å; P757-E1034 HydrophobicContact CB-CG 3.77Å
758	Y	83	Confident	72.2	Confident	120 Å²	120	40.4 Å²	40.4	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-56.7	-38.7	-177.9	177.5	-101	0	0	0	112.5	I756 K762 E1034	I756-Y758 PolarHBondContact O-N 3.36Å; Y758-K762 HydrophobicContact CD1-CD 4.46Å; Y758-K762 HydrophobicContact CE1-CD 3.57Å; Y758-K762 HydrophobicContact CE2-CD 4.47Å; Y758-K762 WeakPolarHBondContact O-CB 3.12Å; Y758-K762 PolarHBondContact O-N 2.89Å; Y758-K762 WeakPolarHBondContact OH-CD 3.4Å; Y758-K762 PolarHBondContact OH-NZ 3.28Å; Y758-E1034 PolarHBondContact N-OE1 2.92Å
759	C	86.3	Confident	74.5	Confident	11 Å²	11	40.6 Å²	40.6	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-39.3	176.4	61.5	0	0	0	0	111.9	P757 S763 F764	P757-C759 VanDerWaalsContact C-N 3.25Å; P757-C759 PolarHBondContact O-N 3.32Å; C759-S763 WeakPolarHBondContact O-CA 3.38Å; C759-S763 WeakPolarHBondContact O-CB 3.47Å; C759-S763 PolarHBondContact O-N 2.78Å; C759-F764 HydrophobicContact CB-CD2 4.37Å; C759-F764 PolarHBondContact O-N 2.79Å
760	T	88.6	Confident	76.8	Confident	21 Å²	21	37.5 Å²	37.5	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-50.8	175.6	-62.8	0	0	0	0	111.2	I756 P757 K762 F764 P765 T766 H770	I756-T760 HydrophobicContact CG2-CG2 3.82Å; P757-T760 WeakPolarHBondContact O-CA 3.5Å; P757-T760 VanDerWaalsContact O-CB 3.27Å; P757-T760 WeakPolarHBondContact O-CB 3.49Å; P757-T760 PolarHBondContact O-N 3.25Å; T760-K762 PolarHBondContact O-N 3.31Å; T760-F764 WeakPolarHBondContact CA-O 3.32Å; T760-F764 WeakPolarHBondContact CG2-O 3.33Å; T760-F764 CarbonylContact O-C 3.57Å; T760-F764 PolarHBondContact O-N 2.86Å; T760-P765 VanDerWaalsContact O-N 3.11Å; T760-T766 HydrophobicContact CG2-CG2 4.22Å; T760-H770 WeakPolarHBondContact CG2-CE1 3.28Å; T760-H770 WeakPolarHBondContact CG2-ND1 3.25Å
761	L	87.5	Confident	79	Confident	38 Å²	38	35.8 Å²	35.8	20%	0.199	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-44.7	178.2	-173.5	68.7	0	0	0	111.6	I756 P757 E773 W774 R1139	I756-L761 HydrophobicContact CG2-CB 4.02Å; P757-L761 PolarHBondContact O-N 3.23Å; L761-E773 HydrophobicContact CD1-CB 3.69Å; L761-W774 HydrophobicContact CD1-CB 4.08Å; L761-R1139 PolarHBondContact O-NH2 3.32Å
762	K	88.9	Confident	81.5	Confident	103 Å²	103	33.2 Å²	33.2	45%	0.448	17%	0.17	S	C	.	.	H	α-helix	trans	-77.9	-43.5	-173.1	-172.8	176.1	-174.1	175.3	0	113.6	Y758 T760 R1139	Y758-K762 HydrophobicContact CD1-CD 4.46Å; Y758-K762 HydrophobicContact CE1-CD 3.57Å; Y758-K762 HydrophobicContact CE2-CD 4.47Å; Y758-K762 WeakPolarHBondContact O-CB 3.12Å; Y758-K762 PolarHBondContact O-N 2.89Å; Y758-K762 WeakPolarHBondContact OH-CD 3.4Å; Y758-K762 PolarHBondContact OH-NZ 3.28Å; T760-K762 PolarHBondContact O-N 3.31Å; K762-R1139 PolarHBondContact O-NH2 2.89Å
763	S	90.6	Very high	83.6	Confident	13 Å²	13	30.1 Å²	30.1	9%	0.091	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-34.5	-164.3	-59.8	0	0	0	0	114.4	C759 P765 Y1143	C759-S763 WeakPolarHBondContact O-CA 3.38Å; C759-S763 WeakPolarHBondContact O-CB 3.47Å; C759-S763 PolarHBondContact O-N 2.78Å; S763-P765 WeakPolarHBondContact O-CD 3.12Å; S763-Y1143 VanDerWaalsContact O-CZ 3.27Å; S763-Y1143 PolarHBondContact O-OH 3.49Å
764	F	92	Very high	85.8	Confident	3 Å²	3	29.7 Å²	29.7	1%	0.013	15%	0.153	C	C	.	.			trans	-129	63.6	-169.7	-49	-71.8	0	0	0	112.2	C759 T760 T766 L921 F925 F937 W938 K942 T1032	C759-F764 HydrophobicContact CB-CD2 4.37Å; C759-F764 PolarHBondContact O-N 2.79Å; T760-F764 WeakPolarHBondContact CA-O 3.32Å; T760-F764 WeakPolarHBondContact CG2-O 3.33Å; T760-F764 CarbonylContact O-C 3.57Å; T760-F764 PolarHBondContact O-N 2.86Å; F764-T766 WeakPolarHBondContact O-CG2 3.19Å; F764-L921 HydrophobicContact CD1-CD2 4.29Å; F764-L921 HydrophobicContact CE1-CD1 3.94Å; F764-L921 HydrophobicContact CE1-CD2 3.96Å; F764-L921 HydrophobicContact CE1-CG 4.34Å; F764-L921 HydrophobicContact CZ-CD1 4.08Å; F764-F925 HydrophobicContact CZ-CE2 4.35Å; F764-F937 AromaticContact CE1-CE1 3.98Å; F764-F937 HydrophobicContact CE1-CE1 3.98Å; F764-F937 AromaticContact CE1-CZ 3.81Å; F764-F937 HydrophobicContact CE1-CZ 3.81Å; F764-F937 HydrophobicContact CZ-CE1 4.38Å; F764-F937 AromaticContact CZ-CZ 3.77Å; F764-F937 HydrophobicContact CZ-CZ 3.77Å; F764-W938 HydrophobicContact CD1-CH2 4.21Å; F764-W938 AromaticContact CD1-CZ3 3.94Å; F764-W938 HydrophobicContact CD1-CZ3 3.94Å; F764-W938 AromaticContact CE1-CH2 3.85Å; F764-W938 HydrophobicContact CE1-CH2 3.85Å; F764-W938 AromaticContact CE1-CZ3 3.97Å; F764-W938 HydrophobicContact CE1-CZ3 3.97Å; F764-K942 HydrophobicContact CB-CG 4.28Å; F764-K942 HydrophobicContact CD1-CD 4.21Å; F764-K942 HydrophobicContact CD1-CG 4.43Å; F764-K942 HydrophobicContact CG-CD 4.24Å; F764-K942 HydrophobicContact CG-CG 4.33Å; F764-T1032 HydrophobicContact CZ-CG2 4.46Å
765	P	92.9	Very high	88.1	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.			trans	-64.3	140.2	177.8	30.9	-35.5	0	0	0	109.9	T760 S763 H770 Y1143 L1145	T760-P765 VanDerWaalsContact O-N 3.11Å; S763-P765 WeakPolarHBondContact O-CD 3.12Å; P765-H770 HydrophobicContact CB-CB 3.72Å; P765-Y1143 HydrophobicContact CG-CD1 4.23Å; P765-Y1143 HydrophobicContact CG-CD2 3.14Å; P765-Y1143 HydrophobicContact CG-CE1 4.4Å; P765-Y1143 HydrophobicContact CG-CE2 3.29Å; P765-Y1143 HydrophobicContact CG-CG 3.66Å; P765-L1145 HydrophobicContact CB-CD1 4.29Å
766	T	87.1	Confident	89.6	Confident	13 Å²	13	25.7 Å²	25.7	8%	0.08	13%	0.125	C	C	.	.			trans	-117.4	-26.8	-173.4	68.3	0	0	0	0	110.8	T760 F764 H770 P941 L1145	T760-T766 HydrophobicContact CG2-CG2 4.22Å; F764-T766 WeakPolarHBondContact O-CG2 3.19Å; T766-H770 PolarHBondContact N-ND1 3.34Å; T766-H770 VanDerWaalsContact N-ND1 3.2Å; T766-H770 PolarHBondContact OG1-CE1 3.32Å; T766-H770 PolarHBondContact OG1-ND1 2.67Å; T766-H770 VanDerWaalsContact OG1-ND1 3.17Å; T766-P941 HydrophobicContact CG2-CB 3.67Å; T766-P941 HydrophobicContact CG2-CG 4.13Å; T766-P941 WeakPolarHBondContact CG2-O 3.16Å; T766-L1145 WeakPolarHBondContact O-CD2 3.39Å
767	L	87.4	Confident	90.4	Very high	18 Å²	18	28.3 Å²	28.3	9%	0.094	14%	0.137	C	C	.	.	S	Bend	trans	-129.8	154.8	179.1	-62.3	175.3	0	0	0	110.4	E195 F197 F271 I769 H770	E195-L767 WeakPolarHBondContact OE1-CD2 3.46Å; F197-L767 HydrophobicContact CE2-CD2 4.42Å; F197-L767 HydrophobicContact CZ-CD2 4.23Å; F271-L767 HydrophobicContact CE2-CD2 3.92Å; F271-L767 HydrophobicContact CZ-CD2 4.28Å; L767-I769 HydrophobicContact CB-CG2 3.77Å; L767-I769 HydrophobicContact CD1-CG2 4.39Å; L767-I769 PolarHBondContact O-N 3.4Å; L767-H770 WeakPolarHBondContact O-CB 3.42Å; L767-H770 PolarHBondContact O-N 2.79Å
768	P	89.6	Confident	91.1	Very high	25 Å²	25	27.2 Å²	27.2	16%	0.162	13%	0.128	C	C	.	.	H	α-helix	trans	-56.4	-33	178.2	-25.7	34.6	0	0	0	114.2	H770 C771 I772 P1146 T1148	P768-H770 VanDerWaalsContact C-N 3.25Å; P768-H770 PolarHBondContact O-N 3.21Å; P768-C771 WeakPolarHBondContact O-CA 3.47Å; P768-C771 VanDerWaalsContact O-CB 3.27Å; P768-C771 WeakPolarHBondContact O-CB 3.48Å; P768-C771 PolarHBondContact O-N 2.98Å; P768-I772 PolarHBondContact O-N 3.29Å; P768-I772 VanDerWaalsContact O-N 3.07Å; P768-P1146 HydrophobicContact CG-CG 3.82Å; P768-P1146 WeakPolarHBondContact CG-O 3.47Å; P768-T1148 VanDerWaalsContact CB-OG1 3.25Å; P768-T1148 WeakPolarHBondContact CB-OG1 3.34Å
769	I	89.2	Confident	91.7	Very high	18 Å²	18	21.6 Å²	21.6	9%	0.092	11%	0.106	C	C	.	.	H	α-helix	trans	-57.6	-34.8	175.5	-177	155.7	0	0	0	112.9	D750 V753 L767 C771 I772 E773 I1156	D750-I769 HydrophobicContact CB-CD1 3.85Å; V753-I769 HydrophobicContact CG2-CD1 3.75Å; V753-I769 HydrophobicContact CG2-CG1 4.23Å; L767-I769 HydrophobicContact CB-CG2 3.77Å; L767-I769 HydrophobicContact CD1-CG2 4.39Å; L767-I769 PolarHBondContact O-N 3.4Å; I769-C771 VanDerWaalsContact C-N 3.27Å; I769-C771 PolarHBondContact O-N 2.87Å; I769-I772 PolarHBondContact O-N 3.46Å; I769-E773 PolarHBondContact O-N 2.79Å; I769-I1156 HydrophobicContact CD1-CG2 4.1Å; I769-I1156 HydrophobicContact CG1-CG2 4.04Å
770	H	92.4	Very high	92.1	Very high	13 Å²	13	22.6 Å²	22.6	6%	0.06	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-33	175.4	-54.9	169.7	0	0	0	111.5	T760 P765 T766 L767 P768 W774	T760-H770 WeakPolarHBondContact CG2-CE1 3.28Å; T760-H770 WeakPolarHBondContact CG2-ND1 3.25Å; P765-H770 HydrophobicContact CB-CB 3.72Å; T766-H770 PolarHBondContact N-ND1 3.34Å; T766-H770 VanDerWaalsContact N-ND1 3.2Å; T766-H770 PolarHBondContact OG1-CE1 3.32Å; T766-H770 PolarHBondContact OG1-ND1 2.67Å; T766-H770 VanDerWaalsContact OG1-ND1 3.17Å; L767-H770 WeakPolarHBondContact O-CB 3.42Å; L767-H770 PolarHBondContact O-N 2.79Å; P768-H770 VanDerWaalsContact C-N 3.25Å; P768-H770 PolarHBondContact O-N 3.21Å; H770-W774 VanDerWaalsContact O-CB 3.26Å; H770-W774 WeakPolarHBondContact O-CB 3.31Å; H770-W774 PolarHBondContact O-N 3.1Å; H770-W774 VanDerWaalsContact O-N 3.09Å
771	C	96	Very high	92.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-71.4	-36.1	174.8	-62.7	0	0	0	0	111.8	P768 I769 A775 A1136 R1139	P768-C771 WeakPolarHBondContact O-CA 3.47Å; P768-C771 VanDerWaalsContact O-CB 3.27Å; P768-C771 WeakPolarHBondContact O-CB 3.48Å; P768-C771 PolarHBondContact O-N 2.98Å; I769-C771 VanDerWaalsContact C-N 3.27Å; I769-C771 PolarHBondContact O-N 2.87Å; C771-A775 WeakPolarHBondContact O-CB 3.32Å; C771-A775 PolarHBondContact O-N 3.44Å; C771-A1136 HydrophobicContact CB-CB 4.33Å; C771-A1136 WeakPolarHBondContact CB-O 3.28Å; C771-R1139 HydrophobicContact CB-CB 4.16Å; C771-R1139 HydrophobicContact CB-CG 4.27Å
772	I	94.9	Very high	92.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-66.6	-49.9	177.1	-64.5	167.7	0	0	0	110.9	P768 I769 W774 A775 R776 V1132 A1136 T1148 V1153 I1156 A1157	P768-I772 PolarHBondContact O-N 3.29Å; P768-I772 VanDerWaalsContact O-N 3.07Å; I769-I772 PolarHBondContact O-N 3.46Å; I772-W774 VanDerWaalsContact C-N 3.3Å; I772-W774 PolarHBondContact O-N 3.29Å; I772-A775 WeakPolarHBondContact O-CB 3.34Å; I772-A775 PolarHBondContact O-N 3.09Å; I772-A775 VanDerWaalsContact O-N 3.07Å; I772-R776 PolarHBondContact O-N 3.4Å; I772-V1132 HydrophobicContact CG2-CG1 4.4Å; I772-A1136 HydrophobicContact CB-CB 4.4Å; I772-A1136 HydrophobicContact CG1-CB 3.8Å; I772-T1148 HydrophobicContact CD1-CG2 4.11Å; I772-V1153 HydrophobicContact CD1-CB 4.46Å; I772-V1153 HydrophobicContact CD1-CG2 3.94Å; I772-V1153 HydrophobicContact CG1-CG1 4.27Å; I772-V1153 HydrophobicContact CG1-CG2 4.12Å; I772-V1153 HydrophobicContact CG2-CG1 4.06Å; I772-I1156 HydrophobicContact CB-CG2 4.32Å; I772-I1156 HydrophobicContact CD1-CB 4.32Å; I772-I1156 HydrophobicContact CD1-CD1 3.64Å; I772-I1156 HydrophobicContact CD1-CG2 4.36Å; I772-I1156 HydrophobicContact CG2-CB 4.12Å; I772-I1156 HydrophobicContact CG2-CG2 3.75Å; I772-A1157 HydrophobicContact CG2-CB 3.95Å
773	E	92.1	Very high	92.8	Very high	21 Å²	21	16.7 Å²	16.7	10%	0.098	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-36.6	177.7	-74.8	-59.3	135.9	0	0	111.9	V753 I756 L761 I769 A775 R776 E777	V753-E773 HydrophobicContact CG1-CG 3.75Å; V753-E773 HydrophobicContact CG2-CG 4.28Å; I756-E773 HydrophobicContact CD1-CB 4.03Å; I756-E773 HydrophobicContact CD1-CG 3.94Å; L761-E773 HydrophobicContact CD1-CB 3.69Å; I769-E773 PolarHBondContact O-N 2.79Å; E773-A775 VanDerWaalsContact C-N 3.34Å; E773-A775 PolarHBondContact O-N 3.14Å; E773-R776 PolarHBondContact O-N 2.76Å; E773-R776 IonicContact OE1-NH1 3.96Å; E773-R776 PolarHBondContact OE1-NH1 2.87Å; E773-R776 IonicContact OE2-NH1 3.76Å; E773-E777 WeakPolarHBondContact O-CB 3.28Å; E773-E777 PolarHBondContact O-N 2.77Å
774	W	95.9	Very high	92.9	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-43.2	171.2	174.8	89.9	0	0	0	111.8	L761 H770 I772 R776 E777 K778 Y913 F914 A1135 R1139	L761-W774 HydrophobicContact CD1-CB 4.08Å; H770-W774 VanDerWaalsContact O-CB 3.26Å; H770-W774 WeakPolarHBondContact O-CB 3.31Å; H770-W774 PolarHBondContact O-N 3.1Å; H770-W774 VanDerWaalsContact O-N 3.09Å; I772-W774 VanDerWaalsContact C-N 3.3Å; I772-W774 PolarHBondContact O-N 3.29Å; W774-R776 VanDerWaalsContact C-N 3.34Å; W774-E777 PolarHBondContact O-N 2.97Å; W774-K778 HydrophobicContact CD2-CG 3.89Å; W774-K778 HydrophobicContact CE3-CG 4.13Å; W774-K778 HydrophobicContact CH2-CD 4.39Å; W774-K778 HydrophobicContact CH2-CG 3.93Å; W774-K778 HydrophobicContact CZ2-CD 3.87Å; W774-K778 HydrophobicContact CZ2-CG 3.66Å; W774-K778 HydrophobicContact CZ3-CG 4.16Å; W774-K778 WeakPolarHBondContact O-CB 3.49Å; W774-K778 WeakPolarHBondContact O-CG 3.41Å; W774-K778 PolarHBondContact O-N 3.32Å; W774-Y913 HydrophobicContact CH2-CD2 4.01Å; W774-Y913 AromaticContact CH2-CG 3.95Å; W774-Y913 HydrophobicContact CH2-CG 3.95Å; W774-Y913 HydrophobicContact CZ2-CD1 4.4Å; W774-Y913 HydrophobicContact CZ2-CG 4.22Å; W774-F914 HydrophobicContact CH2-CE1 4.03Å; W774-F914 HydrophobicContact CH2-CZ 4.32Å; W774-F914 HydrophobicContact CZ3-CE1 4.08Å; W774-F914 HydrophobicContact CZ3-CZ 4.38Å; W774-A1135 HydrophobicContact CZ3-CB 4.31Å; W774-R1139 HydrophobicContact CE3-CB 4.33Å; W774-R1139 HydrophobicContact CE3-CG 4.43Å; W774-R1139 VanDerWaalsContact CG-CZ 3.48Å; W774-R1139 HydrophobicContact CZ3-CB 4.3Å; W774-R1139 VanDerWaalsContact NE1-NH1 3.11Å
775	A	96.9	Very high	92.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-39.5	179.6	0	0	0	0	0	111.5	C771 I772 E773 K778 F779 V1132 A1135 A1136	C771-A775 WeakPolarHBondContact O-CB 3.32Å; C771-A775 PolarHBondContact O-N 3.44Å; I772-A775 WeakPolarHBondContact O-CB 3.34Å; I772-A775 PolarHBondContact O-N 3.09Å; I772-A775 VanDerWaalsContact O-N 3.07Å; E773-A775 VanDerWaalsContact C-N 3.34Å; E773-A775 PolarHBondContact O-N 3.14Å; A775-K778 WeakPolarHBondContact O-CB 3.17Å; A775-K778 PolarHBondContact O-N 3.21Å; A775-F779 PolarHBondContact O-N 3.02Å; A775-V1132 HydrophobicContact CB-CG1 3.93Å; A775-V1132 WeakPolarHBondContact CB-O 3.47Å; A775-A1135 HydrophobicContact CB-CB 3.82Å; A775-A1136 HydrophobicContact CB-CB 3.98Å
776	R	93.9	Very high	92.8	Very high	52 Å²	52	24.9 Å²	24.9	20%	0.196	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-42.6	173.5	-175.4	-174.3	170.6	-179	6.1	112.7	I772 E773 W774 K778 F779 A780 A1157 R1159	I772-R776 PolarHBondContact O-N 3.4Å; E773-R776 PolarHBondContact O-N 2.76Å; E773-R776 IonicContact OE1-NH1 3.96Å; E773-R776 PolarHBondContact OE1-NH1 2.87Å; E773-R776 IonicContact OE2-NH1 3.76Å; W774-R776 VanDerWaalsContact C-N 3.34Å; R776-K778 VanDerWaalsContact C-N 3.26Å; R776-K778 PolarHBondContact O-N 3.38Å; R776-F779 WeakPolarHBondContact O-CB 3.35Å; R776-F779 PolarHBondContact O-N 2.73Å; R776-A780 PolarHBondContact O-N 3.47Å; R776-A1157 VanDerWaalsContact CZ-O 3.31Å; R776-A1157 PolarHBondContact NE-O 3.32Å; R776-A1157 PolarHBondContact NH1-O 2.87Å; R776-R1159 VanDerWaalsContact NH2-NE 3.16Å
777	E	92.9	Very high	92.9	Very high	78 Å²	78	24.2 Å²	24.2	36%	0.364	13%	0.125	S	C	.	.	H	α-helix	trans	-61.2	-37.3	172	178.1	-96.5	133.9	0	0	111	E773 W774 A780 S781	E773-E777 WeakPolarHBondContact O-CB 3.28Å; E773-E777 PolarHBondContact O-N 2.77Å; W774-E777 PolarHBondContact O-N 2.97Å; E777-A780 PolarHBondContact O-N 3.49Å; E777-S781 WeakPolarHBondContact O-CB 3.48Å; E777-S781 PolarHBondContact O-N 2.95Å
778	K	95.4	Very high	93	Very high	19 Å²	19	27.7 Å²	27.7	8%	0.083	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-40.2	174.2	-70.4	-76.6	156.4	-75.9	0	112.2	W774 A775 R776 Q782 Y913 F1131	W774-K778 HydrophobicContact CD2-CG 3.89Å; W774-K778 HydrophobicContact CE3-CG 4.13Å; W774-K778 HydrophobicContact CH2-CD 4.39Å; W774-K778 HydrophobicContact CH2-CG 3.93Å; W774-K778 HydrophobicContact CZ2-CD 3.87Å; W774-K778 HydrophobicContact CZ2-CG 3.66Å; W774-K778 HydrophobicContact CZ3-CG 4.16Å; W774-K778 WeakPolarHBondContact O-CB 3.49Å; W774-K778 WeakPolarHBondContact O-CG 3.41Å; W774-K778 PolarHBondContact O-N 3.32Å; A775-K778 WeakPolarHBondContact O-CB 3.17Å; A775-K778 PolarHBondContact O-N 3.21Å; R776-K778 VanDerWaalsContact C-N 3.26Å; R776-K778 PolarHBondContact O-N 3.38Å; K778-Q782 WeakPolarHBondContact O-CB 3.42Å; K778-Q782 WeakPolarHBondContact O-CG 3.33Å; K778-Q782 PolarHBondContact O-N 3.18Å; K778-Y913 HydrophobicContact CD-CE1 3.97Å; K778-Y913 HydrophobicContact CD-CE2 4.12Å; K778-F1131 HydrophobicContact CB-CZ 4.37Å
779	F	96.1	Very high	92.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-58.8	171.7	-179.7	-81.1	0	0	0	110	A775 R776 S781 Q782 F783 L967 V1117 F1119 H1128 F1131 V1132	A775-F779 PolarHBondContact O-N 3.02Å; R776-F779 WeakPolarHBondContact O-CB 3.35Å; R776-F779 PolarHBondContact O-N 2.73Å; F779-S781 VanDerWaalsContact C-N 3.3Å; F779-S781 PolarHBondContact O-N 3.04Å; F779-Q782 PolarHBondContact O-N 3.06Å; F779-F783 HydrophobicContact CB-CD2 4.45Å; F779-F783 AromaticContact CD2-CD2 3.88Å; F779-F783 HydrophobicContact CD2-CD2 3.88Å; F779-F783 HydrophobicContact CD2-CE2 4.37Å; F779-F783 HydrophobicContact CE2-CD2 4.31Å; F779-F783 HydrophobicContact CG-CD2 4.1Å; F779-F783 VanDerWaalsContact O-CD2 3.31Å; F779-F783 WeakPolarHBondContact O-CD2 3.29Å; F779-F783 PolarHBondContact O-N 2.75Å; F779-L967 HydrophobicContact CD2-CD1 3.92Å; F779-L967 HydrophobicContact CD2-CD2 4.46Å; F779-L967 HydrophobicContact CE2-CD1 3.85Å; F779-L967 HydrophobicContact CE2-CD2 3.58Å; F779-L967 HydrophobicContact CE2-CG 4.4Å; F779-L967 HydrophobicContact CZ-CD2 4.23Å; F779-V1117 HydrophobicContact CZ-CG1 3.91Å; F779-F1119 HydrophobicContact CD1-CB 4Å; F779-F1119 HydrophobicContact CD1-CD2 4.07Å; F779-F1119 HydrophobicContact CD1-CG 4.49Å; F779-F1119 HydrophobicContact CD2-CD2 4.15Å; F779-F1119 HydrophobicContact CE1-CB 3.58Å; F779-F1119 AromaticContact CE1-CD2 3.98Å; F779-F1119 HydrophobicContact CE1-CD2 3.98Å; F779-F1119 HydrophobicContact CE1-CG 4.29Å; F779-F1119 AromaticContact CE2-CD2 3.99Å; F779-F1119 HydrophobicContact CE2-CD2 3.99Å; F779-F1119 HydrophobicContact CG-CD2 4.18Å; F779-F1119 HydrophobicContact CZ-CB 4.11Å; F779-F1119 AromaticContact CZ-CD2 3.92Å; F779-F1119 HydrophobicContact CZ-CD2 3.92Å; F779-H1128 HydrophobicContact CE2-CB 4.15Å; F779-H1128 AromaticContact CE2-CD2 3.94Å; F779-H1128 AromaticContact CE2-CG 3.97Å; F779-F1131 HydrophobicContact CB-CD1 4Å; F779-F1131 HydrophobicContact CB-CE1 3.72Å; F779-F1131 AromaticContact CD2-CD1 3.76Å; F779-F1131 HydrophobicContact CD2-CD1 3.76Å; F779-F1131 HydrophobicContact CD2-CE1 4.27Å; F779-F1131 HydrophobicContact CG-CD1 4.39Å; F779-V1132 HydrophobicContact CB-CG2 4.36Å
780	A	93.3	Very high	92.7	Very high	32 Å²	32	32.3 Å²	32.3	26%	0.264	16%	0.159	S	C	.	.	I	π-helix	trans	-58.8	-42.1	-177.6	0	0	0	0	0	111.8	R776 E777 T784 L785	R776-A780 PolarHBondContact O-N 3.47Å; E777-A780 PolarHBondContact O-N 3.49Å; A780-T784 CarbonylContact O-C 3.27Å; A780-T784 WeakPolarHBondContact O-CA 3.37Å; A780-T784 VanDerWaalsContact O-CB 3.29Å; A780-T784 WeakPolarHBondContact O-CB 3.12Å; A780-T784 PolarHBondContact O-N 2.83Å; A780-T784 VanDerWaalsContact O-N 3.12Å; A780-L785 PolarHBondContact O-N 3.07Å
781	S	92.5	Very high	92.2	Very high	28 Å²	28	34 Å²	34	20%	0.196	17%	0.167	C	C	.	.	I	π-helix	trans	-63.6	-44.1	178.5	-179.5	0	0	0	0	112.9	E777 F779 K786	E777-S781 WeakPolarHBondContact O-CB 3.48Å; E777-S781 PolarHBondContact O-N 2.95Å; F779-S781 VanDerWaalsContact C-N 3.3Å; F779-S781 PolarHBondContact O-N 3.04Å; S781-K786 WeakPolarHBondContact O-CD 3.21Å; S781-K786 WeakPolarHBondContact O-CG 3.47Å
782	Q	93.6	Very high	91.6	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.051	19%	0.189	C	C	.	.	I	π-helix	trans	-82.4	-44	-175.4	-63.6	-44.5	-73.6	0	0	112.8	K778 F779 Y964 Q971	K778-Q782 WeakPolarHBondContact O-CB 3.42Å; K778-Q782 WeakPolarHBondContact O-CG 3.33Å; K778-Q782 PolarHBondContact O-N 3.18Å; F779-Q782 PolarHBondContact O-N 3.06Å; Q782-Y964 HydrophobicContact CG-CE2 4.37Å; Q782-Y964 WeakPolarHBondContact CG-OH 3.31Å; Q782-Q971 PolarHBondContact O-OE1 2.9Å
783	F	94.6	Very high	91	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-107.1	-15.3	-165.3	-48.9	-68	0	0	0	113.9	F779 P787 Y964 L967 L968 V1117 F1131	F779-F783 HydrophobicContact CB-CD2 4.45Å; F779-F783 AromaticContact CD2-CD2 3.88Å; F779-F783 HydrophobicContact CD2-CD2 3.88Å; F779-F783 HydrophobicContact CD2-CE2 4.37Å; F779-F783 HydrophobicContact CE2-CD2 4.31Å; F779-F783 HydrophobicContact CG-CD2 4.1Å; F779-F783 VanDerWaalsContact O-CD2 3.31Å; F779-F783 WeakPolarHBondContact O-CD2 3.29Å; F779-F783 PolarHBondContact O-N 2.75Å; F783-P787 WeakPolarHBondContact O-CG 3.37Å; F783-Y964 HydrophobicContact CE1-CD1 4.4Å; F783-Y964 HydrophobicContact CE1-CE1 4.1Å; F783-Y964 HydrophobicContact CE1-CE2 4.44Å; F783-Y964 HydrophobicContact CE2-CD2 4.48Å; F783-Y964 HydrophobicContact CE2-CE2 4.34Å; F783-Y964 HydrophobicContact CZ-CD1 4.13Å; F783-Y964 AromaticContact CZ-CD2 3.75Å; F783-Y964 HydrophobicContact CZ-CD2 3.75Å; F783-Y964 HydrophobicContact CZ-CE1 4Å; F783-Y964 AromaticContact CZ-CE2 3.63Å; F783-Y964 HydrophobicContact CZ-CE2 3.63Å; F783-Y964 AromaticContact CZ-CG 3.97Å; F783-Y964 HydrophobicContact CZ-CG 3.97Å; F783-Y964 AromaticContact CZ-CZ 3.73Å; F783-L967 HydrophobicContact CD1-CB 3.77Å; F783-L967 HydrophobicContact CD2-CB 4.28Å; F783-L967 HydrophobicContact CD2-CD1 3.86Å; F783-L967 HydrophobicContact CE1-CB 3.51Å; F783-L967 HydrophobicContact CE1-CD1 4.43Å; F783-L967 HydrophobicContact CE2-CB 4.07Å; F783-L967 HydrophobicContact CE2-CD1 3.45Å; F783-L967 VanDerWaalsContact CE2-CD1 3.45Å; F783-L967 HydrophobicContact CE2-CG 4.35Å; F783-L967 HydrophobicContact CG-CB 4.15Å; F783-L967 HydrophobicContact CZ-CB 3.67Å; F783-L967 HydrophobicContact CZ-CD1 3.76Å; F783-L967 HydrophobicContact CZ-CG 4.36Å; F783-L968 HydrophobicContact CE1-CD2 4.05Å; F783-L968 HydrophobicContact CE1-CG 4.15Å; F783-V1117 HydrophobicContact CB-CB 4.09Å; F783-V1117 HydrophobicContact CB-CG2 4.41Å; F783-V1117 PolarHBondContact O-N 2.69Å; F783-F1131 HydrophobicContact CE2-CD1 4.34Å; F783-F1131 HydrophobicContact CE2-CE1 4.1Å; F783-F1131 HydrophobicContact CE2-CE2 4.42Å; F783-F1131 HydrophobicContact CE2-CZ 4.13Å
784	T	92.2	Very high	90.3	Very high	25 Å²	25	37 Å²	37	15%	0.153	19%	0.186	C	C	.	.	I	π-helix	trans	-111.3	-68.6	-179.8	-40.1	0	0	0	0	111.4	A780 K786 P787 M788 S1116 V1117	A780-T784 CarbonylContact O-C 3.27Å; A780-T784 WeakPolarHBondContact O-CA 3.37Å; A780-T784 VanDerWaalsContact O-CB 3.29Å; A780-T784 WeakPolarHBondContact O-CB 3.12Å; A780-T784 PolarHBondContact O-N 2.83Å; A780-T784 VanDerWaalsContact O-N 3.12Å; T784-K786 PolarHBondContact O-N 2.8Å; T784-P787 WeakPolarHBondContact O-CD 3.27Å; T784-M788 HydrophobicContact CG2-SD 4.07Å; T784-M788 VanDerWaalsContact O-CG 3.3Å; T784-M788 WeakPolarHBondContact O-CG 3.29Å; T784-M788 PolarHBondContact O-N 3.28Å; T784-S1116 WeakPolarHBondContact CA-OG 3.24Å; T784-S1116 VanDerWaalsContact CG2-OG 3.25Å; T784-S1116 WeakPolarHBondContact CG2-OG 3.38Å; T784-S1116 PolarHBondContact O-OG 2.87Å; T784-V1117 WeakPolarHBondContact CB-O 3.35Å; T784-V1117 PolarHBondContact OG1-O 3.47Å
785	L	91.2	Very high	89.2	Confident	94 Å²	94	42 Å²	42	49%	0.492	21%	0.21	S	C	.	.	I	π-helix	trans	-67.1	-39.6	-169.4	-65.3	175.9	0	0	0	113.5	A780 M788 K789	A780-L785 PolarHBondContact O-N 3.07Å; L785-M788 PolarHBondContact O-N 3.25Å; L785-K789 WeakPolarHBondContact O-CB 3.22Å; L785-K789 WeakPolarHBondContact O-CG 3.42Å; L785-K789 PolarHBondContact O-N 3.34Å
786	K	90.8	Very high	88.1	Confident	68 Å²	68	44.9 Å²	44.9	30%	0.296	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-48.6	178.5	-79.4	175.2	-173	-173.1	0	112.1	S781 T784 K789 L790 F891	S781-K786 WeakPolarHBondContact O-CD 3.21Å; S781-K786 WeakPolarHBondContact O-CG 3.47Å; T784-K786 PolarHBondContact O-N 2.8Å; K786-K789 PolarHBondContact O-N 3.32Å; K786-L790 PolarHBondContact O-N 2.93Å; K786-F891 HydrophobicContact CB-CD2 3.9Å; K786-F891 HydrophobicContact CB-CE1 4.4Å; K786-F891 HydrophobicContact CB-CE2 3.56Å; K786-F891 HydrophobicContact CB-CG 4.43Å; K786-F891 HydrophobicContact CB-CZ 3.83Å; K786-F891 HydrophobicContact CD-CD2 3.72Å; K786-F891 HydrophobicContact CD-CE2 3.83Å; K786-F891 HydrophobicContact CG-CD2 4.27Å; K786-F891 HydrophobicContact CG-CE2 4.31Å
787	P	90.7	Very high	87	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-45.6	168.8	-30.2	37.4	0	0	0	113.7	F783 T784 K789 L790 Q791 F891 Q971	F783-P787 WeakPolarHBondContact O-CG 3.37Å; T784-P787 WeakPolarHBondContact O-CD 3.27Å; P787-K789 VanDerWaalsContact C-N 3.34Å; P787-K789 PolarHBondContact O-N 2.92Å; P787-L790 WeakPolarHBondContact O-CB 3.33Å; P787-L790 PolarHBondContact O-N 3.32Å; P787-L790 VanDerWaalsContact O-N 3.13Å; P787-Q791 WeakPolarHBondContact O-CG 3.3Å; P787-Q791 PolarHBondContact O-N 3.37Å; P787-F891 HydrophobicContact CG-CZ 4.04Å; P787-Q971 VanDerWaalsContact CG-CD 3.49Å; P787-Q971 HydrophobicContact CG-CG 3.81Å
788	M	89	Confident	85.7	Confident	90 Å²	90	41.5 Å²	41.5	44%	0.443	22%	0.215	S	C	.	.	H	α-helix	trans	-59.4	-42.3	177.5	-73.3	-179.3	76.6	0	0	112.6	T784 L785 L790 Q791 T792	T784-M788 HydrophobicContact CG2-SD 4.07Å; T784-M788 VanDerWaalsContact O-CG 3.3Å; T784-M788 WeakPolarHBondContact O-CG 3.29Å; T784-M788 PolarHBondContact O-N 3.28Å; L785-M788 PolarHBondContact O-N 3.25Å; M788-L790 VanDerWaalsContact C-N 3.35Å; M788-Q791 PolarHBondContact O-N 3.25Å; M788-T792 WeakPolarHBondContact O-CB 3.2Å; M788-T792 PolarHBondContact O-N 3.36Å; M788-T792 PolarHBondContact O-OG1 3.24Å
789	K	86.3	Confident	83.8	Confident	140 Å²	140	49 Å²	49	61%	0.609	25%	0.248	S	C	*	.	H	α-helix	trans	-63.1	-40.5	175.2	-76.5	-178.2	179.8	-169.9	0	112.1	L785 K786 P787 F793	L785-K789 WeakPolarHBondContact O-CB 3.22Å; L785-K789 WeakPolarHBondContact O-CG 3.42Å; L785-K789 PolarHBondContact O-N 3.34Å; K786-K789 PolarHBondContact O-N 3.32Å; P787-K789 VanDerWaalsContact C-N 3.34Å; P787-K789 PolarHBondContact O-N 2.92Å; K789-F793 WeakPolarHBondContact O-CB 3.12Å; K789-F793 PolarHBondContact O-N 2.77Å
790	L	85.5	Confident	81.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-45.8	174.5	173.6	62.3	0	0	0	111.4	K786 P787 M788 F793 L794 I888 F891 L892 I1111 C1114	K786-L790 PolarHBondContact O-N 2.93Å; P787-L790 WeakPolarHBondContact O-CB 3.33Å; P787-L790 PolarHBondContact O-N 3.32Å; P787-L790 VanDerWaalsContact O-N 3.13Å; M788-L790 VanDerWaalsContact C-N 3.35Å; L790-F793 HydrophobicContact CD1-CD1 4.34Å; L790-F793 WeakPolarHBondContact O-CB 3.38Å; L790-F793 PolarHBondContact O-N 2.95Å; L790-L794 HydrophobicContact CD1-CD1 3.97Å; L790-L794 HydrophobicContact CD1-CG 4.08Å; L790-L794 HydrophobicContact CG-CD1 4.07Å; L790-L794 WeakPolarHBondContact O-CG 3.5Å; L790-L794 PolarHBondContact O-N 2.76Å; L790-I888 HydrophobicContact CD1-CG2 4.38Å; L790-F891 HydrophobicContact CB-CD1 4.34Å; L790-F891 HydrophobicContact CB-CE1 4.23Å; L790-F891 HydrophobicContact CD2-CD1 4.12Å; L790-F891 HydrophobicContact CD2-CE1 3.85Å; L790-L892 HydrophobicContact CD1-CD1 4.4Å; L790-L892 HydrophobicContact CD1-CD2 3.53Å; L790-L892 HydrophobicContact CD1-CG 4.04Å; L790-L892 HydrophobicContact CD2-CD2 3.98Å; L790-L892 HydrophobicContact CG-CD2 4.42Å; L790-I1111 HydrophobicContact CD2-CG2 4.41Å; L790-C1114 HydrophobicContact CD2-CB 4.46Å
791	Q	82.9	Confident	79.6	Confident	48 Å²	48	58.8 Å²	58.8	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-44.4	178.1	-71.8	175.3	-14.7	0	0	111.8	P787 M788 F793 L794 Q795 C1114	P787-Q791 WeakPolarHBondContact O-CG 3.3Å; P787-Q791 PolarHBondContact O-N 3.37Å; M788-Q791 PolarHBondContact O-N 3.25Å; Q791-F793 VanDerWaalsContact C-N 3.34Å; Q791-F793 PolarHBondContact O-N 2.85Å; Q791-L794 PolarHBondContact O-N 3.2Å; Q791-Q795 WeakPolarHBondContact O-CB 3.46Å; Q791-Q795 VanDerWaalsContact O-CG 3.27Å; Q791-Q795 WeakPolarHBondContact O-CG 3.42Å; Q791-Q795 PolarHBondContact O-N 3.46Å; Q791-C1114 PolarHBondContact NE2-O 3.35Å
792	T	82.1	Confident	77.2	Confident	77 Å²	77	63.9 Å²	63.9	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-44.8	175.9	-53	0	0	0	0	110.7	M788 Q795 V796	M788-T792 WeakPolarHBondContact O-CB 3.2Å; M788-T792 PolarHBondContact O-N 3.36Å; M788-T792 PolarHBondContact O-OG1 3.24Å; T792-Q795 PolarHBondContact O-N 3.4Å; T792-V796 HydrophobicContact CG2-CG2 4.44Å; T792-V796 WeakPolarHBondContact O-CB 3.27Å; T792-V796 VanDerWaalsContact O-CG2 3.32Å; T792-V796 WeakPolarHBondContact O-CG2 3.24Å; T792-V796 PolarHBondContact O-N 2.97Å
793	F	82.2	Confident	74.4	Confident	9 Å²	9	72 Å²	72	4%	0.039	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-49	175.3	166.6	-102	0	0	0	112	K789 L790 Q791 Q795 V796 W797 L821 L880 Q883 L884 I888	K789-F793 WeakPolarHBondContact O-CB 3.12Å; K789-F793 PolarHBondContact O-N 2.77Å; L790-F793 HydrophobicContact CD1-CD1 4.34Å; L790-F793 WeakPolarHBondContact O-CB 3.38Å; L790-F793 PolarHBondContact O-N 2.95Å; Q791-F793 VanDerWaalsContact C-N 3.34Å; Q791-F793 PolarHBondContact O-N 2.85Å; F793-Q795 VanDerWaalsContact C-N 3.32Å; F793-Q795 PolarHBondContact O-N 3.3Å; F793-V796 PolarHBondContact O-N 3.36Å; F793-W797 WeakPolarHBondContact O-CB 3.45Å; F793-W797 PolarHBondContact O-N 3.34Å; F793-L821 HydrophobicContact CE1-CD2 3.96Å; F793-L821 HydrophobicContact CZ-CD1 4.34Å; F793-L821 HydrophobicContact CZ-CD2 4.46Å; F793-L880 HydrophobicContact CE2-CD1 4.08Å; F793-L880 HydrophobicContact CZ-CD1 3.75Å; F793-Q883 HydrophobicContact CD2-CB 3.91Å; F793-Q883 HydrophobicContact CE2-CB 4.12Å; F793-L884 HydrophobicContact CE1-CD1 4.31Å; F793-L884 HydrophobicContact CE2-CB 4.11Å; F793-L884 HydrophobicContact CE2-CD1 4.32Å; F793-L884 HydrophobicContact CZ-CB 4.32Å; F793-L884 HydrophobicContact CZ-CD1 3.9Å; F793-I888 HydrophobicContact CB-CD1 4.25Å; F793-I888 HydrophobicContact CD1-CG2 4.29Å; F793-I888 HydrophobicContact CG-CD1 4.44Å
794	L	78.2	Confident	71.4	Confident	1 Å²	1	76 Å²	76	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-31.8	178.7	-69.2	175.2	0	0	0	112.8	L790 Q791 L814 Q817 L821	L790-L794 HydrophobicContact CD1-CD1 3.97Å; L790-L794 HydrophobicContact CD1-CG 4.08Å; L790-L794 HydrophobicContact CG-CD1 4.07Å; L790-L794 WeakPolarHBondContact O-CG 3.5Å; L790-L794 PolarHBondContact O-N 2.76Å; Q791-L794 PolarHBondContact O-N 3.2Å; L794-L814 HydrophobicContact CB-CD1 3.96Å; L794-L814 HydrophobicContact CD1-CD1 3.62Å; L794-L814 HydrophobicContact CD1-CD2 4.42Å; L794-L814 HydrophobicContact CD1-CG 3.95Å; L794-L814 HydrophobicContact CG-CD1 4.45Å; L794-Q817 HydrophobicContact CB-CB 4.17Å; L794-Q817 VanDerWaalsContact O-CG 3.29Å; L794-Q817 WeakPolarHBondContact O-CG 3.33Å; L794-L821 HydrophobicContact CD2-CD2 4.14Å
795	Q	73.3	Confident	68.5	Low	107 Å²	107	82.4 Å²	82.4	50%	0.5	42%	0.415	S	S	.	.	H	α-helix	trans	-68.7	-49.2	174.2	-77.2	174.3	-10.7	0	0	112.4	Q791 T792 F793 W797 N798	Q791-Q795 WeakPolarHBondContact O-CB 3.46Å; Q791-Q795 VanDerWaalsContact O-CG 3.27Å; Q791-Q795 WeakPolarHBondContact O-CG 3.42Å; Q791-Q795 PolarHBondContact O-N 3.46Å; T792-Q795 PolarHBondContact O-N 3.4Å; F793-Q795 VanDerWaalsContact C-N 3.32Å; F793-Q795 PolarHBondContact O-N 3.3Å; Q795-W797 VanDerWaalsContact C-N 3.26Å; Q795-W797 PolarHBondContact O-N 3.46Å; Q795-N798 PolarHBondContact O-N 2.95Å
796	V	73.3	Confident	65.8	Low	61 Å²	61	84.1 Å²	84.1	37%	0.37	43%	0.425	S	S	.	.	H	α-helix	trans	-61.1	-37.8	177.6	170.5	0	0	0	0	110.7	T792 F793 N798 F799 L879	T792-V796 HydrophobicContact CG2-CG2 4.44Å; T792-V796 WeakPolarHBondContact O-CB 3.27Å; T792-V796 VanDerWaalsContact O-CG2 3.32Å; T792-V796 WeakPolarHBondContact O-CG2 3.24Å; T792-V796 PolarHBondContact O-N 2.97Å; F793-V796 PolarHBondContact O-N 3.36Å; V796-N798 VanDerWaalsContact C-N 3.25Å; V796-N798 PolarHBondContact O-N 3.38Å; V796-F799 PolarHBondContact O-N 2.98Å; V796-L879 HydrophobicContact CG1-CD1 4.36Å; V796-L879 HydrophobicContact CG1-CD2 4.08Å
797	W	70.6	Confident	62.9	Low	10 Å²	10	84 Å²	84	4%	0.038	43%	0.432	C	S	.	.	H	α-helix	trans	-55.8	-34.8	177.9	-175	-110.4	0	0	0	114.1	F793 Q795 L821 D824 R876 M877 L880	F793-W797 WeakPolarHBondContact O-CB 3.45Å; F793-W797 PolarHBondContact O-N 3.34Å; Q795-W797 VanDerWaalsContact C-N 3.26Å; Q795-W797 PolarHBondContact O-N 3.46Å; W797-L821 HydrophobicContact CD2-CD1 4.39Å; W797-L821 HydrophobicContact CZ2-CD1 4.14Å; W797-D824 HydrophobicContact CH2-CB 4.43Å; W797-D824 HydrophobicContact CZ2-CB 3.72Å; W797-D824 VanDerWaalsContact CZ2-OD2 3.23Å; W797-D824 WeakPolarHBondContact CZ2-OD2 3.49Å; W797-R876 HydrophobicContact CH2-CB 4.05Å; W797-R876 HydrophobicContact CZ3-CB 4.24Å; W797-R876 VanDerWaalsContact CZ3-O 3.25Å; W797-R876 WeakPolarHBondContact CZ3-O 3.48Å; W797-M877 HydrophobicContact CH2-CE 3.74Å; W797-M877 HydrophobicContact CZ2-CE 4.35Å; W797-L880 HydrophobicContact CE3-CD1 4.14Å; W797-L880 HydrophobicContact CH2-CB 3.96Å; W797-L880 HydrophobicContact CH2-CD1 4.03Å; W797-L880 HydrophobicContact CH2-CD2 4.25Å; W797-L880 HydrophobicContact CH2-CG 4.3Å; W797-L880 HydrophobicContact CZ3-CB 3.61Å; W797-L880 HydrophobicContact CZ3-CD1 3.75Å; W797-L880 HydrophobicContact CZ3-CG 4.16Å
798	N	65.3	Low	60.4	Low	48 Å²	48	93.3 Å²	93.3	26%	0.257	47%	0.469	S	S	.	.	H	α-helix	trans	-95.1	-15.5	-174.4	-94.4	26.3	0	0	0	115.4	Q795 V796 Q800 Q817	Q795-N798 PolarHBondContact O-N 2.95Å; V796-N798 VanDerWaalsContact C-N 3.25Å; V796-N798 PolarHBondContact O-N 3.38Å; N798-Q800 PolarHBondContact O-N 3.36Å; N798-Q800 VanDerWaalsContact O-N 3.08Å; N798-Q817 HydrophobicContact CB-CG 3.76Å; N798-Q817 WeakPolarHBondContact ND2-CA 3.26Å; N798-Q817 WeakPolarHBondContact ND2-CG 3.46Å
799	F	56.7	Low	58.1	Low	178 Å²	178	95.2 Å²	95.2	78%	0.781	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.5	-162	-132.9	-86.8	0	0	0	115.5	V796	V796-F799 PolarHBondContact O-N 2.98Å
800	Q	54	Low	56.1	Low	121 Å²	121	91.6 Å²	91.6	57%	0.565	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	5.4	-179	-75	-163.5	-30.2	0	0	115.7	N798	N798-Q800 PolarHBondContact O-N 3.36Å; N798-Q800 VanDerWaalsContact O-N 3.08Å
801	Q	47.3	Very low	54.3	Low	117 Å²	117	99.1 Å²	99.1	55%	0.547	51%	0.514	S	S	.	.	S	Bend	trans	-112.7	-4.3	-175.8	-84	-162.9	-12.3	0	0	118.2
802	N	40.8	Very low	52.9	Low	135 Å²	135	102.2 Å²	102.2	72%	0.722	53%	0.528	S	S	*	.			trans	-141.8	88.8	-178.7	-74.3	-41.6	0	0	0	113.3	S804	N802-S804 PolarHBondContact O-N 3.42Å
803	D	36	Very low	52.1	Low	183 Å²	183	101.3 Å²	101.3	98%	0.979	52%	0.523	S	S	*	.	S	Bend	trans	-82.8	16.9	161.4	-93.5	-21.9	0	0	0	112.7
804	S	31.4	Very low	51.3	Low	83 Å²	83	101.9 Å²	101.9	58%	0.58	53%	0.526	S	S	*	.	S	Bend	trans	-152.7	131.2	172.1	60.9	0	0	0	0	111.5	N802	N802-S804 PolarHBondContact O-N 3.42Å
805	M	32.1	Very low	51	Low	160 Å²	160	106 Å²	106	79%	0.788	55%	0.545	S	S	*	.			trans	100	98.2	167.7	-59.1	-66.8	169.1	0	0	118.2
806	N	33.5	Very low	51	Low	130 Å²	130	107.3 Å²	107.3	70%	0.695	55%	0.549	S	S	*	.			trans	55.2	117.6	131.1	-67.1	-15.3	0	0	0	120.9	Y808	N806-Y808 PolarHBondContact O-N 3.09Å
807	S	30.9	Very low	51.1	Low	66 Å²	66	105 Å²	105	46%	0.462	54%	0.535	S	S	.	.			trans	-55	110.9	165	54.2	0	0	0	0	114.2
808	Y	36.2	Very low	51.3	Low	194 Å²	194	104.5 Å²	104.5	76%	0.761	53%	0.533	S	S	*	.			trans	-154.5	129.1	158.9	-92	-81.9	0	0	0	111.6	N806	N806-Y808 PolarHBondContact O-N 3.09Å
809	H	41.1	Very low	52	Low	131 Å²	131	107.5 Å²	107.5	61%	0.606	55%	0.545	S	S	*	.			trans	60.4	104.4	164.3	-62.1	-50.4	0	0	0	120.7	E811 Q812 T813	H809-E811 VanDerWaalsContact C-N 3.33Å; H809-E811 PolarHBondContact O-N 3.07Å; H809-Q812 PolarHBondContact O-N 3.05Å; H809-T813 PolarHBondContact O-OG1 2.91Å
810	G	45.8	Very low	53	Low	64 Å²	64	101.7 Å²	101.7	66%	0.66	52%	0.52	S	S	*	.	H	α-helix	trans	-61.8	-27.4	176.5	0	0	0	0	0	115.8	T813	G810-T813 WeakPolarHBondContact O-CB 3.43Å; G810-T813 PolarHBondContact O-N 2.91Å
811	E	47.2	Very low	54.3	Low	159 Å²	159	96 Å²	96	74%	0.743	49%	0.494	S	S	*	.	H	α-helix	trans	-71.8	-36.8	-179.8	-103.2	-177.1	158.2	0	0	113.7	H809 T813	H809-E811 VanDerWaalsContact C-N 3.33Å; H809-E811 PolarHBondContact O-N 3.07Å; E811-T813 PolarHBondContact O-N 2.84Å
812	Q	53.6	Low	56	Low	112 Å²	112	91.6 Å²	91.6	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-74.2	-15.8	176.5	-68.9	-173	5.8	0	0	112.4	H809 K816	H809-Q812 PolarHBondContact O-N 3.05Å; Q812-K816 WeakPolarHBondContact O-CG 3.26Å; Q812-K816 PolarHBondContact O-N 3.11Å
813	T	65.4	Low	58	Low	58 Å²	58	88.3 Å²	88.3	36%	0.356	46%	0.461	S	S	.	.	H	α-helix	trans	-76.1	-45.6	-171.8	-51.7	0	0	0	0	111.4	H809 G810 E811 Q815 K816 Q817	H809-T813 PolarHBondContact O-OG1 2.91Å; G810-T813 WeakPolarHBondContact O-CB 3.43Å; G810-T813 PolarHBondContact O-N 2.91Å; E811-T813 PolarHBondContact O-N 2.84Å; T813-Q815 PolarHBondContact O-N 3.25Å; T813-K816 PolarHBondContact O-N 3.16Å; T813-Q817 WeakPolarHBondContact O-CB 3.42Å; T813-Q817 VanDerWaalsContact O-CG 3.23Å; T813-Q817 WeakPolarHBondContact O-CG 3.37Å; T813-Q817 PolarHBondContact O-N 3Å
814	L	65.4	Low	60.1	Low	22 Å²	22	79.9 Å²	79.9	12%	0.115	42%	0.416	C	S	.	.	H	α-helix	trans	-68.5	-35.1	-178.9	-152.6	74	0	0	0	112.1	L794 Q817 T818 S1112	L794-L814 HydrophobicContact CB-CD1 3.96Å; L794-L814 HydrophobicContact CD1-CD1 3.62Å; L794-L814 HydrophobicContact CD1-CD2 4.42Å; L794-L814 HydrophobicContact CD1-CG 3.95Å; L794-L814 HydrophobicContact CG-CD1 4.45Å; L814-Q817 VanDerWaalsContact CD1-OE1 3.32Å; L814-Q817 PolarHBondContact O-N 2.87Å; L814-T818 WeakPolarHBondContact O-CB 3.23Å; L814-T818 PolarHBondContact O-N 3.38Å; L814-T818 PolarHBondContact O-OG1 3.36Å; L814-S1112 VanDerWaalsContact CD2-O 3.24Å; L814-S1112 WeakPolarHBondContact CD2-O 3.49Å
815	Q	71.1	Confident	62.6	Low	86 Å²	86	76 Å²	76	40%	0.402	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174	-74.1	-178.9	0.6	0	0	112	T813 T818 H819	T813-Q815 PolarHBondContact O-N 3.25Å; Q815-T818 PolarHBondContact O-N 2.92Å; Q815-H819 PolarHBondContact O-N 3.22Å; Q815-H819 PolarHBondContact O-ND1 3.16Å
816	K	74	Confident	65	Low	135 Å²	135	71.9 Å²	71.9	59%	0.587	37%	0.369	S	S	*	.	H	α-helix	trans	-64.4	-42.8	175.6	-72.8	176.8	-177.8	177.4	0	111.5	Q812 T813 T818 H819 Q820	Q812-K816 WeakPolarHBondContact O-CG 3.26Å; Q812-K816 PolarHBondContact O-N 3.11Å; T813-K816 PolarHBondContact O-N 3.16Å; K816-T818 PolarHBondContact O-N 3.12Å; K816-H819 PolarHBondContact O-N 2.83Å; K816-Q820 PolarHBondContact O-N 2.63Å
817	Q	74.3	Confident	67.3	Low	13 Å²	13	67.9 Å²	67.9	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-58	-46	175.6	-74	167.1	-10.8	0	0	112.3	L794 N798 T813 L814 Q820 L821	L794-Q817 HydrophobicContact CB-CB 4.17Å; L794-Q817 VanDerWaalsContact O-CG 3.29Å; L794-Q817 WeakPolarHBondContact O-CG 3.33Å; N798-Q817 HydrophobicContact CB-CG 3.76Å; N798-Q817 WeakPolarHBondContact ND2-CA 3.26Å; N798-Q817 WeakPolarHBondContact ND2-CG 3.46Å; T813-Q817 WeakPolarHBondContact O-CB 3.42Å; T813-Q817 VanDerWaalsContact O-CG 3.23Å; T813-Q817 WeakPolarHBondContact O-CG 3.37Å; T813-Q817 PolarHBondContact O-N 3Å; L814-Q817 VanDerWaalsContact CD1-OE1 3.32Å; L814-Q817 PolarHBondContact O-N 2.87Å; Q817-Q820 PolarHBondContact O-N 2.99Å; Q817-L821 PolarHBondContact O-N 2.81Å; Q817-L821 VanDerWaalsContact O-N 3.13Å
818	T	74.5	Confident	69.6	Low	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.7	-39.7	-179.7	-48.8	0	0	0	0	111.5	L814 Q815 K816 L821 I822 L1102 F1108 I1111	L814-T818 WeakPolarHBondContact O-CB 3.23Å; L814-T818 PolarHBondContact O-N 3.38Å; L814-T818 PolarHBondContact O-OG1 3.36Å; Q815-T818 PolarHBondContact O-N 2.92Å; K816-T818 PolarHBondContact O-N 3.12Å; T818-L821 PolarHBondContact O-N 3.47Å; T818-I822 HydrophobicContact CG2-CD1 4.42Å; T818-I822 WeakPolarHBondContact O-CG1 3.44Å; T818-I822 PolarHBondContact O-N 3.47Å; T818-I822 VanDerWaalsContact O-N 3.08Å; T818-L1102 HydrophobicContact CG2-CD1 4.37Å; T818-F1108 HydrophobicContact CG2-CD2 3.78Å; T818-F1108 HydrophobicContact CG2-CE2 3.39Å; T818-F1108 HydrophobicContact CG2-CZ 4.18Å; T818-I1111 HydrophobicContact CG2-CG2 4.45Å
819	H	80.4	Confident	71.6	Confident	111 Å²	111	56.3 Å²	56.3	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-43.5	174.1	-84.2	102.2	0	0	0	112.2	Q815 K816 L821 I822 S823 F1108	Q815-H819 PolarHBondContact O-N 3.22Å; Q815-H819 PolarHBondContact O-ND1 3.16Å; K816-H819 PolarHBondContact O-N 2.83Å; H819-L821 VanDerWaalsContact C-N 3.34Å; H819-L821 PolarHBondContact O-N 2.98Å; H819-I822 PolarHBondContact O-N 3.48Å; H819-S823 PolarHBondContact O-N 3.38Å; H819-F1108 AromaticContact CE1-CE1 3.44Å; H819-F1108 VanDerWaalsContact CE1-CE1 3.44Å; H819-F1108 WeakPolarHBondContact CE1-CE1 3.43Å; H819-F1108 AromaticContact CE1-CE2 3.97Å; H819-F1108 AromaticContact CE1-CZ 3.15Å; H819-F1108 WeakPolarHBondContact CE1-CZ 3.06Å; H819-F1108 AromaticContact CG-CZ 3.79Å; H819-F1108 AromaticContact ND1-CE1 3.89Å; H819-F1108 AromaticContact ND1-CE2 3.89Å; H819-F1108 AromaticContact ND1-CZ 3.15Å; H819-F1108 WeakPolarHBondContact ND1-CZ 3.49Å; H819-F1108 AromaticContact NE2-CZ 3.79Å
820	Q	78.8	Confident	73.3	Confident	55 Å²	55	52.7 Å²	52.7	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-44.4	179.4	-173.1	56.7	49.7	0	0	111.2	K816 Q817 I822 S823 D824	K816-Q820 PolarHBondContact O-N 2.63Å; Q817-Q820 PolarHBondContact O-N 2.99Å; Q820-I822 VanDerWaalsContact C-N 3.34Å; Q820-I822 PolarHBondContact O-N 2.81Å; Q820-S823 PolarHBondContact O-N 2.96Å; Q820-D824 PolarHBondContact NE2-OD2 2.87Å; Q820-D824 PolarHBondContact O-N 2.86Å
821	L	81.7	Confident	74.5	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-45.5	174.5	178.9	64.5	0	0	0	111.9	F793 L794 W797 Q817 T818 H819 D824 L825 L880 L1102	F793-L821 HydrophobicContact CE1-CD2 3.96Å; F793-L821 HydrophobicContact CZ-CD1 4.34Å; F793-L821 HydrophobicContact CZ-CD2 4.46Å; L794-L821 HydrophobicContact CD2-CD2 4.14Å; W797-L821 HydrophobicContact CD2-CD1 4.39Å; W797-L821 HydrophobicContact CZ2-CD1 4.14Å; Q817-L821 PolarHBondContact O-N 2.81Å; Q817-L821 VanDerWaalsContact O-N 3.13Å; T818-L821 PolarHBondContact O-N 3.47Å; H819-L821 VanDerWaalsContact C-N 3.34Å; H819-L821 PolarHBondContact O-N 2.98Å; L821-D824 PolarHBondContact O-N 2.94Å; L821-L825 HydrophobicContact CD1-CD1 4.19Å; L821-L825 HydrophobicContact CD1-CG 4.2Å; L821-L825 HydrophobicContact CG-CD1 4.04Å; L821-L825 HydrophobicContact CG-CG 4.43Å; L821-L825 WeakPolarHBondContact O-CB 3.42Å; L821-L825 WeakPolarHBondContact O-CG 3.49Å; L821-L825 PolarHBondContact O-N 3.32Å; L821-L880 HydrophobicContact CD1-CD1 3.74Å; L821-L1102 HydrophobicContact CD2-CD1 4.47Å
822	I	82.1	Confident	75.6	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.118	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-46.1	177.3	-68.9	168.5	0	0	0	110.7	T818 H819 Q820 D824 L825 I826 L1099 L1102 F1108	T818-I822 HydrophobicContact CG2-CD1 4.42Å; T818-I822 WeakPolarHBondContact O-CG1 3.44Å; T818-I822 PolarHBondContact O-N 3.47Å; T818-I822 VanDerWaalsContact O-N 3.08Å; H819-I822 PolarHBondContact O-N 3.48Å; Q820-I822 VanDerWaalsContact C-N 3.34Å; Q820-I822 PolarHBondContact O-N 2.81Å; I822-D824 PolarHBondContact O-N 3.14Å; I822-L825 PolarHBondContact O-N 3.47Å; I822-I826 HydrophobicContact CG2-CD1 3.75Å; I822-I826 HydrophobicContact CG2-CG1 4.27Å; I822-I826 VanDerWaalsContact O-CG1 3.29Å; I822-I826 WeakPolarHBondContact O-CG1 3.37Å; I822-I826 PolarHBondContact O-N 3.36Å; I822-L1099 HydrophobicContact CG2-CD1 3.93Å; I822-L1102 HydrophobicContact CD1-CB 3.84Å; I822-L1102 HydrophobicContact CG1-CB 4.02Å; I822-L1102 HydrophobicContact CG1-CD1 4.28Å; I822-F1108 HydrophobicContact CD1-CD2 3.46Å; I822-F1108 VanDerWaalsContact CD1-CD2 3.46Å; I822-F1108 HydrophobicContact CD1-CE2 3.67Å
823	S	82	Confident	76.2	Confident	66 Å²	66	42.1 Å²	42.1	46%	0.462	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-45.9	179.2	-173.1	0	0	0	0	112.1	H819 Q820 I826 F827	H819-S823 PolarHBondContact O-N 3.38Å; Q820-S823 PolarHBondContact O-N 2.96Å; S823-I826 PolarHBondContact O-N 3.01Å; S823-F827 WeakPolarHBondContact O-CB 3.26Å; S823-F827 PolarHBondContact O-N 2.9Å
824	D	80.2	Confident	75.7	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.032	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-35.7	178.9	-75.5	-49.6	0	0	0	111.8	W797 Q820 L821 I822 F827 L828 R876 M877	W797-D824 HydrophobicContact CH2-CB 4.43Å; W797-D824 HydrophobicContact CZ2-CB 3.72Å; W797-D824 VanDerWaalsContact CZ2-OD2 3.23Å; W797-D824 WeakPolarHBondContact CZ2-OD2 3.49Å; Q820-D824 PolarHBondContact NE2-OD2 2.87Å; Q820-D824 PolarHBondContact O-N 2.86Å; L821-D824 PolarHBondContact O-N 2.94Å; I822-D824 PolarHBondContact O-N 3.14Å; D824-F827 PolarHBondContact O-N 3.09Å; D824-L828 WeakPolarHBondContact O-CB 3.32Å; D824-L828 PolarHBondContact O-N 3.28Å; D824-R876 IonicContact OD1-CZ 3.85Å; D824-R876 IonicContact OD1-NE 2.64Å; D824-R876 IonicContact OD1-NH2 3.18Å; D824-R876 PolarHBondContact OD1-NH2 3.23Å; D824-R876 IonicContact OD2-NE 3.48Å; D824-R876 IonicContact OD2-NH2 2.68Å; D824-M877 HydrophobicContact CB-CE 3.83Å
825	L	83.9	Confident	74.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-41.8	173.9	-73.7	177.2	0	0	0	112.4	L821 I822 F827 L828 M829 L880 C1095 I1098 L1099	L821-L825 HydrophobicContact CD1-CD1 4.19Å; L821-L825 HydrophobicContact CD1-CG 4.2Å; L821-L825 HydrophobicContact CG-CD1 4.04Å; L821-L825 HydrophobicContact CG-CG 4.43Å; L821-L825 WeakPolarHBondContact O-CB 3.42Å; L821-L825 WeakPolarHBondContact O-CG 3.49Å; L821-L825 PolarHBondContact O-N 3.32Å; I822-L825 PolarHBondContact O-N 3.47Å; L825-F827 VanDerWaalsContact C-N 3.33Å; L825-L828 PolarHBondContact O-N 2.77Å; L825-M829 VanDerWaalsContact O-CG 3.28Å; L825-M829 WeakPolarHBondContact O-CG 3.43Å; L825-M829 PolarHBondContact O-N 3.07Å; L825-L880 HydrophobicContact CD2-CD2 3.91Å; L825-C1095 HydrophobicContact CD2-CB 3.76Å; L825-I1098 HydrophobicContact CD1-CB 4.37Å; L825-I1098 HydrophobicContact CD1-CG2 3.77Å; L825-L1099 HydrophobicContact CB-CD1 4.18Å
826	I	83.4	Confident	73.5	Confident	74 Å²	74	51 Å²	51	38%	0.379	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-50.1	173.8	-70.3	169.9	0	0	0	109.1	I822 S823 L828 M829 D830 L1099	I822-I826 HydrophobicContact CG2-CD1 3.75Å; I822-I826 HydrophobicContact CG2-CG1 4.27Å; I822-I826 VanDerWaalsContact O-CG1 3.29Å; I822-I826 WeakPolarHBondContact O-CG1 3.37Å; I822-I826 PolarHBondContact O-N 3.36Å; S823-I826 PolarHBondContact O-N 3.01Å; I826-L828 VanDerWaalsContact C-N 3.33Å; I826-L828 PolarHBondContact O-N 3.2Å; I826-M829 PolarHBondContact O-N 2.82Å; I826-M829 VanDerWaalsContact O-N 3.09Å; I826-D830 PolarHBondContact O-N 2.95Å; I826-L1099 HydrophobicContact CD1-CD1 4.31Å; I826-L1099 HydrophobicContact CG1-CD1 3.56Å; I826-L1099 HydrophobicContact CG1-CD2 4.02Å; I826-L1099 HydrophobicContact CG1-CG 4.39Å
827	F	81.1	Confident	72	Confident	46 Å²	46	50.7 Å²	50.7	20%	0.202	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-40.8	-179.8	-178.3	-106.3	0	0	0	112.3	S823 D824 L825 M829 D830 L831 Y863 W873	S823-F827 WeakPolarHBondContact O-CB 3.26Å; S823-F827 PolarHBondContact O-N 2.9Å; D824-F827 PolarHBondContact O-N 3.09Å; L825-F827 VanDerWaalsContact C-N 3.33Å; F827-M829 VanDerWaalsContact C-N 3.34Å; F827-M829 PolarHBondContact O-N 2.83Å; F827-D830 PolarHBondContact O-N 3.4Å; F827-L831 HydrophobicContact CD1-CD1 4.07Å; F827-L831 HydrophobicContact CE1-CD1 3.48Å; F827-L831 VanDerWaalsContact CE1-CD1 3.48Å; F827-L831 HydrophobicContact CE1-CG 4.11Å; F827-L831 HydrophobicContact CE2-CD2 4.4Å; F827-L831 HydrophobicContact CE2-CG 4.3Å; F827-L831 HydrophobicContact CZ-CD1 3.71Å; F827-L831 HydrophobicContact CZ-CD2 4.06Å; F827-L831 HydrophobicContact CZ-CG 3.94Å; F827-L831 WeakPolarHBondContact O-CG 3.31Å; F827-L831 PolarHBondContact O-N 3.4Å; F827-Y863 HydrophobicContact CE2-CE2 4.02Å; F827-Y863 AromaticContact CE2-CZ 3.92Å; F827-Y863 WeakPolarHBondContact CE2-OH 3.37Å; F827-Y863 HydrophobicContact CZ-CE1 4.37Å; F827-Y863 AromaticContact CZ-CE2 3.53Å; F827-Y863 HydrophobicContact CZ-CE2 3.53Å; F827-Y863 AromaticContact CZ-CZ 3.38Å; F827-Y863 WeakPolarHBondContact CZ-OH 3.35Å; F827-W873 HydrophobicContact CD1-CD2 4.35Å; F827-W873 AromaticContact CD1-CE2 3.41Å; F827-W873 VanDerWaalsContact CD1-CE2 3.41Å; F827-W873 HydrophobicContact CD1-CH2 4.35Å; F827-W873 AromaticContact CD1-CZ2 3.43Å; F827-W873 HydrophobicContact CD1-CZ2 3.43Å; F827-W873 VanDerWaalsContact CD1-CZ2 3.43Å; F827-W873 AromaticContact CD1-NE1 3.34Å; F827-W873 VanDerWaalsContact CD1-NE1 3.34Å; F827-W873 HydrophobicContact CE1-CD2 4.05Å; F827-W873 AromaticContact CE1-CE2 3.52Å; F827-W873 HydrophobicContact CE1-CH2 4.16Å; F827-W873 AromaticContact CE1-CZ2 3.61Å; F827-W873 HydrophobicContact CE1-CZ2 3.61Å; F827-W873 AromaticContact CE1-NE1 3.76Å
828	L	80.2	Confident	70.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-42.6	173.1	-176.1	66	0	0	0	112.2	D824 L825 I826 C832 W873 M877 I1064 L1087 F1091	D824-L828 WeakPolarHBondContact O-CB 3.32Å; D824-L828 PolarHBondContact O-N 3.28Å; L825-L828 PolarHBondContact O-N 2.77Å; I826-L828 VanDerWaalsContact C-N 3.33Å; I826-L828 PolarHBondContact O-N 3.2Å; L828-C832 PolarHBondContact O-N 3.37Å; L828-C832 VanDerWaalsContact O-N 3.16Å; L828-C832 PolarHBondContact O-SG 3.22Å; L828-W873 HydrophobicContact CD1-CH2 4.01Å; L828-W873 HydrophobicContact CD1-CZ2 4.25Å; L828-M877 HydrophobicContact CB-SD 4.38Å; L828-M877 HydrophobicContact CD1-SD 3.98Å; L828-M877 HydrophobicContact CD2-SD 4.07Å; L828-M877 HydrophobicContact CG-SD 4.38Å; L828-I1064 HydrophobicContact CD1-CD1 4.13Å; L828-L1087 HydrophobicContact CD1-CD1 3.64Å; L828-L1087 HydrophobicContact CG-CD1 4.44Å; L828-F1091 HydrophobicContact CD2-CE1 4.3Å
829	M	78.2	Confident	69	Low	17 Å²	17	59.4 Å²	59.4	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-70	-38.5	178.5	-67.1	-55.9	88.2	0	0	112.3	L825 I826 F827 L831 C832 N833 L1092 C1095 T1096 L1099	L825-M829 VanDerWaalsContact O-CG 3.28Å; L825-M829 WeakPolarHBondContact O-CG 3.43Å; L825-M829 PolarHBondContact O-N 3.07Å; I826-M829 PolarHBondContact O-N 2.82Å; I826-M829 VanDerWaalsContact O-N 3.09Å; F827-M829 VanDerWaalsContact C-N 3.34Å; F827-M829 PolarHBondContact O-N 2.83Å; M829-L831 VanDerWaalsContact C-N 3.35Å; M829-C832 CarbonylContact O-C 3.56Å; M829-C832 PolarHBondContact O-N 3.4Å; M829-C832 VanDerWaalsContact O-N 3.08Å; M829-N833 WeakPolarHBondContact O-CB 3.4Å; M829-N833 PolarHBondContact O-N 3.48Å; M829-N833 PolarHBondContact O-ND2 3.18Å; M829-L1092 HydrophobicContact CE-CD2 3.65Å; M829-C1095 HydrophobicContact CE-CB 4.24Å; M829-T1096 PolarHBondContact SD-OG1 2.79Å; M829-L1099 HydrophobicContact CB-CD2 4.49Å; M829-L1099 HydrophobicContact CG-CD2 3.93Å
830	D	75.4	Confident	67.2	Low	55 Å²	55	60.2 Å²	60.2	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-40.5	175	-75.8	-21.7	0	0	0	111.5	I826 F827 C832 N833 T838	I826-D830 PolarHBondContact O-N 2.95Å; F827-D830 PolarHBondContact O-N 3.4Å; D830-C832 PolarHBondContact O-N 2.86Å; D830-N833 PolarHBondContact O-N 2.55Å; D830-T838 HydrophobicContact CB-CG2 4.24Å
831	L	71.6	Confident	65.9	Low	11 Å²	11	59.9 Å²	59.9	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-33.1	172.2	-71.8	178.2	0	0	0	112.1	F827 M829 V856 V858 W873 I1064	F827-L831 HydrophobicContact CD1-CD1 4.07Å; F827-L831 HydrophobicContact CE1-CD1 3.48Å; F827-L831 VanDerWaalsContact CE1-CD1 3.48Å; F827-L831 HydrophobicContact CE1-CG 4.11Å; F827-L831 HydrophobicContact CE2-CD2 4.4Å; F827-L831 HydrophobicContact CE2-CG 4.3Å; F827-L831 HydrophobicContact CZ-CD1 3.71Å; F827-L831 HydrophobicContact CZ-CD2 4.06Å; F827-L831 HydrophobicContact CZ-CG 3.94Å; F827-L831 WeakPolarHBondContact O-CG 3.31Å; F827-L831 PolarHBondContact O-N 3.4Å; M829-L831 VanDerWaalsContact C-N 3.35Å; L831-V856 WeakPolarHBondContact O-CG1 3.43Å; L831-V858 HydrophobicContact CD2-CG1 3.93Å; L831-V858 HydrophobicContact CD2-CG2 3.86Å; L831-W873 HydrophobicContact CD1-CH2 3.59Å; L831-W873 HydrophobicContact CD1-CZ2 4.07Å; L831-W873 HydrophobicContact CD1-CZ3 4.2Å; L831-I1064 HydrophobicContact CB-CD1 4.37Å
832	C	71.5	Confident	64.4	Low	6 Å²	6	61 Å²	61	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-82.5	-21.4	-178.8	-70.5	0	0	0	0	114	L828 M829 D830 K1062	L828-C832 PolarHBondContact O-N 3.37Å; L828-C832 VanDerWaalsContact O-N 3.16Å; L828-C832 PolarHBondContact O-SG 3.22Å; M829-C832 CarbonylContact O-C 3.56Å; M829-C832 PolarHBondContact O-N 3.4Å; M829-C832 VanDerWaalsContact O-N 3.08Å; D830-C832 PolarHBondContact O-N 2.86Å; C832-K1062 HydrophobicContact CB-CD 4.36Å; C832-K1062 WeakPolarHBondContact O-CE 3.47Å; C832-K1062 PolarHBondContact O-NZ 2.83Å
833	N	64.9	Low	62.9	Low	97 Å²	97	64.2 Å²	64.2	52%	0.519	37%	0.369	S	S	.	.			trans	-98.8	118.4	-174	-76.8	-26.4	0	0	0	111.5	M829 D830 N835	M829-N833 WeakPolarHBondContact O-CB 3.4Å; M829-N833 PolarHBondContact O-N 3.48Å; M829-N833 PolarHBondContact O-ND2 3.18Å; D830-N833 PolarHBondContact O-N 2.55Å; N833-N835 PolarHBondContact O-N 3.15Å
834	E	54.3	Low	61.5	Low	131 Å²	131	63.8 Å²	63.8	61%	0.612	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	5.2	-172.1	-64	-176.8	141.2	0	0	115.9	T846	E834-T846 VanDerWaalsContact OE1-CB 3.3Å; E834-T846 WeakPolarHBondContact OE1-CB 3.28Å; E834-T846 WeakPolarHBondContact OE1-CG2 3.23Å; E834-T846 PolarHBondContact OE1-OG1 2.84Å
835	N	49.9	Very low	60.1	Low	150 Å²	150	66.9 Å²	66.9	80%	0.802	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	14.9	-162.9	-72.6	-44.5	0	0	0	116.3	N833	N833-N835 PolarHBondContact O-N 3.15Å
836	T	41.9	Very low	58.6	Low	71 Å²	71	70 Å²	70	44%	0.436	40%	0.402	S	S	.	.			trans	-111.3	120.3	176.8	30.1	0	0	0	0	112	T838	T836-T838 VanDerWaalsContact C-N 3.28Å; T836-T838 PolarHBondContact O-N 2.9Å
837	P	41.5	Very low	57.3	Low	129 Å²	129	69.1 Å²	69.1	84%	0.838	40%	0.401	S	S	*	.			trans	-69.9	89.4	170.3	28.2	-29.6	0	0	0	108.2
838	T	42.1	Very low	55.7	Low	51 Å²	51	72.8 Å²	72.8	31%	0.313	43%	0.427	S	S	.	.			trans	-70.2	131.8	170	54.2	0	0	0	0	108.4	D830 T836 S840	D830-T838 HydrophobicContact CB-CG2 4.24Å; T836-T838 VanDerWaalsContact C-N 3.28Å; T836-T838 PolarHBondContact O-N 2.9Å; T838-S840 PolarHBondContact O-N 2.98Å; T838-S840 VanDerWaalsContact O-N 3.1Å
839	N	43.7	Very low	54.4	Low	145 Å²	145	76.3 Å²	76.3	78%	0.775	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-29.2	109.1	-174.3	-72.8	-30.9	0	0	0	115.1	T841	N839-T841 PolarHBondContact O-N 3.02Å; N839-T841 PolarHBondContact O-OG1 3.33Å
840	S	43.9	Very low	53.1	Low	127 Å²	127	83.7 Å²	83.7	89%	0.888	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	34.1	5.2	159.9	64.5	0	0	0	0	122.6	T838	T838-S840 PolarHBondContact O-N 2.98Å; T838-S840 VanDerWaalsContact O-N 3.1Å
841	T	50.8	Low	51.9	Low	48 Å²	48	87.4 Å²	87.4	29%	0.294	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	-0.9	-168	42.3	0	0	0	0	115.9	N839 K861 I862	N839-T841 PolarHBondContact O-N 3.02Å; N839-T841 PolarHBondContact O-OG1 3.33Å; T841-K861 PolarHBondContact O-N 2.99Å; T841-I862 HydrophobicContact CG2-CD1 4.33Å; T841-I862 HydrophobicContact CG2-CG1 4.23Å; T841-I862 WeakPolarHBondContact OG1-CD1 3.42Å; T841-I862 WeakPolarHBondContact OG1-CG1 3.48Å
842	T	49.8	Very low	50.8	Low	27 Å²	27	93.7 Å²	93.7	17%	0.166	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.5	178.6	-52.5	0	0	0	0	110.5	V858 S860	T842-V858 HydrophobicContact CG2-CG1 3.83Å; T842-S860 PolarHBondContact OG1-OG 2.89Å
843	T	50.2	Low	49.9	Very low	91 Å²	91	94.3 Å²	94.3	56%	0.558	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.7	177	-27.3	0	0	0	0	108.1	T859	T843-T859 WeakPolarHBondContact CB-OG1 3.49Å; T843-T859 PolarHBondContact N-O 3.49Å; T843-T859 CarbonylContact O-C 3.54Å; T843-T859 WeakPolarHBondContact O-CA 3.39Å; T843-T859 PolarHBondContact O-N 3.43Å; T843-T859 VanDerWaalsContact O-O 3.04Å; T843-T859 PolarHBondContact O-OG1 2.73Å
844	T	52.1	Low	49.5	Very low	57 Å²	57	91.7 Å²	91.7	35%	0.35	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.5	174.2	17.3	0	0	0	0	109.3	V856 I857 V858	T844-V856 HydrophobicContact CG2-CG1 3.61Å; T844-I857 CarbonylContact C-O 3.5Å; T844-I857 VanDerWaalsContact CA-O 3.3Å; T844-I857 WeakPolarHBondContact CA-O 3.32Å; T844-V858 HydrophobicContact CG2-CB 4.38Å; T844-V858 HydrophobicContact CG2-CG2 3.79Å
845	T	52.6	Low	49.7	Very low	71 Å²	71	85.7 Å²	85.7	44%	0.436	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.7	171.9	35.1	0	0	0	0	109	I857	T845-I857 PolarHBondContact N-O 2.91Å; T845-I857 WeakPolarHBondContact O-CB 3.26Å; T845-I857 PolarHBondContact O-N 3.42Å
846	T	52	Low	50.2	Low	65 Å²	65	78.7 Å²	78.7	40%	0.399	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.3	173.4	13.7	0	0	0	0	110.3	E834 N855 V856	E834-T846 VanDerWaalsContact OE1-CB 3.3Å; E834-T846 WeakPolarHBondContact OE1-CB 3.28Å; E834-T846 WeakPolarHBondContact OE1-CG2 3.23Å; E834-T846 PolarHBondContact OE1-OG1 2.84Å; T846-N855 CarbonylContact C-O 3.56Å; T846-N855 VanDerWaalsContact CA-O 3.26Å; T846-N855 WeakPolarHBondContact CA-O 3.32Å; T846-V856 HydrophobicContact CG2-CG2 3.94Å
847	T	54.8	Low	51	Low	57 Å²	57	77.1 Å²	77.1	35%	0.35	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.1	168.2	51.1	0	0	0	0	108.5	N855 I857	T847-N855 PolarHBondContact N-O 3.48Å; T847-N855 WeakPolarHBondContact O-CB 3.42Å; T847-N855 PolarHBondContact O-N 3.17Å; T847-N855 WeakPolarHBondContact OG1-CB 3.18Å; T847-I857 HydrophobicContact CG2-CD1 3.99Å
848	T	49.2	Very low	51.8	Low	122 Å²	122	71 Å²	71	75%	0.748	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.7	170.6	28.7	0	0	0	0	108.1
849	D	52.7	Low	52.4	Low	75 Å²	75	70.3 Å²	70.3	40%	0.401	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	155.5	168.4	-84.3	-21.9	0	0	0	110	N851 N852 S853 N855 R1063	D849-N851 PolarHBondContact O-N 3.14Å; D849-N852 PolarHBondContact O-N 3.14Å; D849-S853 PolarHBondContact N-O 3.03Å; D849-N855 PolarHBondContact OD2-ND2 3.08Å; D849-R1063 IonicContact OD2-NH2 2.62Å; D849-R1063 PolarHBondContact OD2-NH2 2.92Å
850	N	49.3	Very low	52.9	Low	171 Å²	171	63.6 Å²	63.6	91%	0.914	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-0.5	177.9	-75.8	-25.9	0	0	0	115.5
851	N	50.5	Low	53.2	Low	133 Å²	133	64.7 Å²	64.7	71%	0.711	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	25.5	-179	-71.4	-17.5	0	0	0	114.1	D849 S853	D849-N851 PolarHBondContact O-N 3.14Å; N851-S853 PolarHBondContact O-N 3.28Å; N851-S853 PolarHBondContact O-OG 3.13Å
852	N	49.9	Very low	53.3	Low	144 Å²	144	66.5 Å²	66.5	77%	0.77	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	25.2	-179.9	-82.4	-13.7	0	0	0	114.6	D849	D849-N852 PolarHBondContact O-N 3.14Å
853	S	51.6	Low	53.6	Low	19 Å²	19	67.1 Å²	67.1	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.5	176.7	-8.3	0	0	0	0	108.7	D849 N851 N855	D849-S853 PolarHBondContact N-O 3.03Å; N851-S853 PolarHBondContact O-N 3.28Å; N851-S853 PolarHBondContact O-OG 3.13Å; S853-N855 PolarHBondContact O-N 3.38Å
854	S	57.5	Low	53.7	Low	41 Å²	41	63.8 Å²	63.8	29%	0.287	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.9	171.4	46.7	0	0	0	0	108.5	R1063	S854-R1063 PolarHBondContact O-N 3.32Å
855	N	57.5	Low	53.8	Low	5 Å²	5	68 Å²	68	3%	0.027	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.2	174.2	-60	-25.7	0	0	0	107.9	T846 T847 D849 S853 R1063 I1065	T846-N855 CarbonylContact C-O 3.56Å; T846-N855 VanDerWaalsContact CA-O 3.26Å; T846-N855 WeakPolarHBondContact CA-O 3.32Å; T847-N855 PolarHBondContact N-O 3.48Å; T847-N855 WeakPolarHBondContact O-CB 3.42Å; T847-N855 PolarHBondContact O-N 3.17Å; T847-N855 WeakPolarHBondContact OG1-CB 3.18Å; D849-N855 PolarHBondContact OD2-ND2 3.08Å; S853-N855 PolarHBondContact O-N 3.38Å; N855-R1063 CarbonylContact C-O 3.58Å; N855-R1063 PolarHBondContact OD1-NE 2.84Å; N855-R1063 PolarHBondContact OD1-NH2 3.31Å; N855-R1063 VanDerWaalsContact OD1-NH2 3.13Å; N855-I1065 HydrophobicContact CB-CD1 4.41Å
856	V	60.9	Low	54.4	Low	3 Å²	3	67.7 Å²	67.7	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	105.3	169	-179.2	0	0	0	0	107.5	L831 T844 T846 V858 K1062 R1063 I1064 I1065	L831-V856 WeakPolarHBondContact O-CG1 3.43Å; T844-V856 HydrophobicContact CG2-CG1 3.61Å; T846-V856 HydrophobicContact CG2-CG2 3.94Å; V856-V858 HydrophobicContact CG1-CG2 4.11Å; V856-K1062 HydrophobicContact CG2-CD 4.5Å; V856-K1062 HydrophobicContact CG2-CG 4.16Å; V856-R1063 PolarHBondContact N-O 3.46Å; V856-I1064 WeakPolarHBondContact O-CA 3.15Å; V856-I1065 PolarHBondContact O-N 2.92Å
857	I	57.8	Low	55	Low	38 Å²	38	70.5 Å²	70.5	20%	0.195	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.5	173.5	-56.3	175.5	0	0	0	107.6	T844 T845 T847 T859 I1065 S1067	T844-I857 CarbonylContact C-O 3.5Å; T844-I857 VanDerWaalsContact CA-O 3.3Å; T844-I857 WeakPolarHBondContact CA-O 3.32Å; T845-I857 PolarHBondContact N-O 2.91Å; T845-I857 WeakPolarHBondContact O-CB 3.26Å; T845-I857 PolarHBondContact O-N 3.42Å; T847-I857 HydrophobicContact CG2-CD1 3.99Å; I857-T859 HydrophobicContact CG2-CG2 4.31Å; I857-I1065 HydrophobicContact CG1-CB 4.49Å; I857-S1067 WeakPolarHBondContact CG2-OG 3.49Å
858	V	59.1	Low	55.7	Low	1 Å²	1	73.5 Å²	73.5	1%	0.006	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	104	177.3	-175.1	0	0	0	0	108.1	L831 T842 T844 V856 I1064 I1065 F1066	L831-V858 HydrophobicContact CD2-CG1 3.93Å; L831-V858 HydrophobicContact CD2-CG2 3.86Å; T842-V858 HydrophobicContact CG2-CG1 3.83Å; T844-V858 HydrophobicContact CG2-CB 4.38Å; T844-V858 HydrophobicContact CG2-CG2 3.79Å; V856-V858 HydrophobicContact CG1-CG2 4.11Å; V858-I1064 HydrophobicContact CG2-CG2 3.63Å; V858-I1065 PolarHBondContact N-O 2.99Å; V858-F1066 HydrophobicContact CB-CD1 4.1Å; V858-F1066 HydrophobicContact CB-CE1 4.15Å; V858-F1066 HydrophobicContact CG1-CD1 4.24Å; V858-F1066 HydrophobicContact CG1-CE1 4.08Å
859	T	54	Low	56.6	Low	37 Å²	37	71.6 Å²	71.6	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	97.8	167.6	48.3	0	0	0	0	108.4	T843 I857 S1067	T843-T859 WeakPolarHBondContact CB-OG1 3.49Å; T843-T859 PolarHBondContact N-O 3.49Å; T843-T859 CarbonylContact O-C 3.54Å; T843-T859 WeakPolarHBondContact O-CA 3.39Å; T843-T859 PolarHBondContact O-N 3.43Å; T843-T859 VanDerWaalsContact O-O 3.04Å; T843-T859 PolarHBondContact O-OG1 2.73Å; I857-T859 HydrophobicContact CG2-CG2 4.31Å; T859-S1067 VanDerWaalsContact CG2-OG 3.26Å; T859-S1067 WeakPolarHBondContact CG2-OG 3.48Å
860	S	54.5	Low	57.3	Low	3 Å²	3	69.3 Å²	69.3	2%	0.021	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.8	176.6	-178.6	0	0	0	0	110.9	T842 I862 Y863 A864	T842-S860 PolarHBondContact OG1-OG 2.89Å; S860-I862 PolarHBondContact O-N 3.36Å; S860-I862 PolarHBondContact OG-N 3.12Å; S860-Y863 VanDerWaalsContact CB-CD2 3.44Å; S860-Y863 VanDerWaalsContact OG-CD2 3.28Å; S860-Y863 WeakPolarHBondContact OG-CD2 3.35Å; S860-Y863 PolarHBondContact OG-N 2.99Å; S860-A864 WeakPolarHBondContact O-CB 3.37Å; S860-A864 PolarHBondContact O-N 3.22Å
861	K	51.2	Low	58.3	Low	151 Å²	151	66 Å²	66	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-66.8	-27.2	171.1	-79.2	-175.1	176	-179.9	0	112.4	T841 N865	T841-K861 PolarHBondContact O-N 2.99Å; K861-N865 PolarHBondContact O-N 3.06Å; K861-N865 PolarHBondContact O-ND2 2.81Å
862	I	52.5	Low	59.3	Low	86 Å²	86	62.4 Å²	62.4	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-72.1	-49.8	177.6	-68.3	178.2	0	0	0	109.7	T841 S860 A864 N865 D866	T841-I862 HydrophobicContact CG2-CD1 4.33Å; T841-I862 HydrophobicContact CG2-CG1 4.23Å; T841-I862 WeakPolarHBondContact OG1-CD1 3.42Å; T841-I862 WeakPolarHBondContact OG1-CG1 3.48Å; S860-I862 PolarHBondContact O-N 3.36Å; S860-I862 PolarHBondContact OG-N 3.12Å; I862-A864 VanDerWaalsContact C-N 3.34Å; I862-A864 PolarHBondContact O-N 3.12Å; I862-N865 PolarHBondContact O-N 2.96Å; I862-D866 PolarHBondContact O-N 2.82Å
863	Y	56	Low	60.5	Low	39 Å²	39	56 Å²	56	15%	0.153	28%	0.284	C	S	.	.	H	α-helix	trans	-75.1	-24.1	-179.1	-61.6	-70	0	0	0	113.1	F827 S860 N865 L869 M870	F827-Y863 HydrophobicContact CE2-CE2 4.02Å; F827-Y863 AromaticContact CE2-CZ 3.92Å; F827-Y863 WeakPolarHBondContact CE2-OH 3.37Å; F827-Y863 HydrophobicContact CZ-CE1 4.37Å; F827-Y863 AromaticContact CZ-CE2 3.53Å; F827-Y863 HydrophobicContact CZ-CE2 3.53Å; F827-Y863 AromaticContact CZ-CZ 3.38Å; F827-Y863 WeakPolarHBondContact CZ-OH 3.35Å; S860-Y863 VanDerWaalsContact CB-CD2 3.44Å; S860-Y863 VanDerWaalsContact OG-CD2 3.28Å; S860-Y863 WeakPolarHBondContact OG-CD2 3.35Å; S860-Y863 PolarHBondContact OG-N 2.99Å; Y863-N865 PolarHBondContact O-N 2.78Å; Y863-L869 HydrophobicContact CD1-CD2 3.85Å; Y863-L869 HydrophobicContact CE1-CD2 3.47Å; Y863-L869 VanDerWaalsContact CE1-CD2 3.47Å; Y863-M870 HydrophobicContact CD1-CB 4.44Å
864	A	52.6	Low	61.6	Low	22 Å²	22	55.7 Å²	55.7	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-28.4	170.1	0	0	0	0	0	112.8	S860 I862	S860-A864 WeakPolarHBondContact O-CB 3.37Å; S860-A864 PolarHBondContact O-N 3.22Å; I862-A864 VanDerWaalsContact C-N 3.34Å; I862-A864 PolarHBondContact O-N 3.12Å
865	N	54.4	Low	62.5	Low	145 Å²	145	57.3 Å²	57.3	78%	0.775	28%	0.284	S	S	*	.	H	α-helix	trans	-94.9	-21	-177.2	-74	-16.6	0	0	0	114.2	K861 I862 Y863	K861-N865 PolarHBondContact O-N 3.06Å; K861-N865 PolarHBondContact O-ND2 2.81Å; I862-N865 PolarHBondContact O-N 2.96Å; Y863-N865 PolarHBondContact O-N 2.78Å
866	D	64.2	Low	63.3	Low	65 Å²	65	58.7 Å²	58.7	35%	0.348	29%	0.289	S	S	.	.			trans	-117.7	78.5	178.7	-163	-22.2	0	0	0	111.4	I862 I868 L869 M870	I862-D866 PolarHBondContact O-N 2.82Å; D866-I868 PolarHBondContact O-N 2.74Å; D866-I868 VanDerWaalsContact O-N 3.17Å; D866-I868 PolarHBondContact OD1-N 3.41Å; D866-L869 HydrophobicContact CB-CB 3.9Å; D866-L869 PolarHBondContact O-N 2.94Å; D866-L869 WeakPolarHBondContact OD1-CB 3.12Å; D866-L869 PolarHBondContact OD1-N 3.12Å; D866-L869 WeakPolarHBondContact OD2-CB 3.09Å; D866-M870 PolarHBondContact O-N 3.09Å
867	K	65.5	Low	64.2	Low	123 Å²	123	58.6 Å²	58.6	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-54.5	-31.3	176.7	-78.5	-170.3	174.6	-170.3	0	112.2	K871	K867-K871 VanDerWaalsContact O-CB 3.24Å; K867-K871 WeakPolarHBondContact O-CB 3.44Å; K867-K871 PolarHBondContact O-N 3.48Å
868	I	68.5	Low	65.2	Low	120 Å²	120	60.2 Å²	60.2	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-73.8	-50.5	-177.9	-63.4	172.5	0	0	0	109.3	D866 M870 K871 N872	D866-I868 PolarHBondContact O-N 2.74Å; D866-I868 VanDerWaalsContact O-N 3.17Å; D866-I868 PolarHBondContact OD1-N 3.41Å; I868-M870 VanDerWaalsContact C-N 3.31Å; I868-M870 PolarHBondContact O-N 3.28Å; I868-K871 PolarHBondContact O-N 3.2Å; I868-N872 WeakPolarHBondContact O-CB 3.27Å; I868-N872 PolarHBondContact O-N 3.48Å; I868-N872 PolarHBondContact O-ND2 3.43Å; I868-N872 PolarHBondContact O-OD1 2.98Å
869	L	67.8	Low	66	Low	82 Å²	82	62.3 Å²	62.3	43%	0.429	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-40.8	179.2	-170.9	121.2	0	0	0	111.7	Y863 D866 W873	Y863-L869 HydrophobicContact CD1-CD2 3.85Å; Y863-L869 HydrophobicContact CE1-CD2 3.47Å; Y863-L869 VanDerWaalsContact CE1-CD2 3.47Å; D866-L869 HydrophobicContact CB-CB 3.9Å; D866-L869 PolarHBondContact O-N 2.94Å; D866-L869 WeakPolarHBondContact OD1-CB 3.12Å; D866-L869 PolarHBondContact OD1-N 3.12Å; D866-L869 WeakPolarHBondContact OD2-CB 3.09Å; L869-W873 WeakPolarHBondContact O-CB 3.37Å; L869-W873 PolarHBondContact O-N 2.85Å
870	M	67	Low	67.1	Low	27 Å²	27	60.5 Å²	60.5	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-46	175.1	-171.6	177.6	75	0	0	112.2	Y863 D866 I868 N872 W873 I874 F1066 K1083	Y863-M870 HydrophobicContact CD1-CB 4.44Å; D866-M870 PolarHBondContact O-N 3.09Å; I868-M870 VanDerWaalsContact C-N 3.31Å; I868-M870 PolarHBondContact O-N 3.28Å; M870-N872 VanDerWaalsContact C-N 3.34Å; M870-N872 PolarHBondContact O-N 2.99Å; M870-W873 PolarHBondContact O-N 2.99Å; M870-I874 HydrophobicContact CG-CD1 3.96Å; M870-I874 HydrophobicContact CG-CG1 4.47Å; M870-I874 VanDerWaalsContact O-CG1 3.27Å; M870-I874 WeakPolarHBondContact O-CG1 3.44Å; M870-I874 PolarHBondContact O-N 3.43Å; M870-F1066 HydrophobicContact CE-CB 4.31Å; M870-F1066 HydrophobicContact CG-CD1 4.31Å; M870-F1066 HydrophobicContact CG-CG 4.37Å; M870-F1066 HydrophobicContact SD-CB 3.62Å; M870-F1066 HydrophobicContact SD-CD1 3.69Å; M870-F1066 HydrophobicContact SD-CD2 4.39Å; M870-F1066 HydrophobicContact SD-CE1 4.47Å; M870-F1066 HydrophobicContact SD-CG 3.64Å; M870-K1083 HydrophobicContact CE-CD 4.27Å
871	K	70.5	Confident	68.2	Low	102 Å²	102	63.3 Å²	63.3	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-48.3	176.3	-177.1	179.7	171.5	-179.5	0	110.9	K867 I868 W873 I874 E875	K867-K871 VanDerWaalsContact O-CB 3.24Å; K867-K871 WeakPolarHBondContact O-CB 3.44Å; K867-K871 PolarHBondContact O-N 3.48Å; I868-K871 PolarHBondContact O-N 3.2Å; K871-W873 VanDerWaalsContact C-N 3.33Å; K871-W873 PolarHBondContact O-N 3.34Å; K871-I874 PolarHBondContact O-N 2.8Å; K871-E875 WeakPolarHBondContact CE-OE1 3.46Å; K871-E875 WeakPolarHBondContact CG-OE1 3.46Å; K871-E875 WeakPolarHBondContact O-CG 3.45Å; K871-E875 PolarHBondContact O-N 2.97Å
872	N	71.7	Confident	69.5	Low	58 Å²	58	62.1 Å²	62.1	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-41.6	178.8	-67.6	-7.5	0	0	0	111.4	I868 M870 R876	I868-N872 WeakPolarHBondContact O-CB 3.27Å; I868-N872 PolarHBondContact O-N 3.48Å; I868-N872 PolarHBondContact O-ND2 3.43Å; I868-N872 PolarHBondContact O-OD1 2.98Å; M870-N872 VanDerWaalsContact C-N 3.34Å; M870-N872 PolarHBondContact O-N 2.99Å; N872-R876 WeakPolarHBondContact O-CG 3.46Å; N872-R876 PolarHBondContact O-N 2.77Å
873	W	75.5	Confident	70.7	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.038	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-41.9	178	-173.3	86.6	0	0	0	112.7	F827 L828 L831 L869 M870 K871 R876 M877 F1066 I1085	F827-W873 HydrophobicContact CD1-CD2 4.35Å; F827-W873 AromaticContact CD1-CE2 3.41Å; F827-W873 VanDerWaalsContact CD1-CE2 3.41Å; F827-W873 HydrophobicContact CD1-CH2 4.35Å; F827-W873 AromaticContact CD1-CZ2 3.43Å; F827-W873 HydrophobicContact CD1-CZ2 3.43Å; F827-W873 VanDerWaalsContact CD1-CZ2 3.43Å; F827-W873 AromaticContact CD1-NE1 3.34Å; F827-W873 VanDerWaalsContact CD1-NE1 3.34Å; F827-W873 HydrophobicContact CE1-CD2 4.05Å; F827-W873 AromaticContact CE1-CE2 3.52Å; F827-W873 HydrophobicContact CE1-CH2 4.16Å; F827-W873 AromaticContact CE1-CZ2 3.61Å; F827-W873 HydrophobicContact CE1-CZ2 3.61Å; F827-W873 AromaticContact CE1-NE1 3.76Å; L828-W873 HydrophobicContact CD1-CH2 4.01Å; L828-W873 HydrophobicContact CD1-CZ2 4.25Å; L831-W873 HydrophobicContact CD1-CH2 3.59Å; L831-W873 HydrophobicContact CD1-CZ2 4.07Å; L831-W873 HydrophobicContact CD1-CZ3 4.2Å; L869-W873 WeakPolarHBondContact O-CB 3.37Å; L869-W873 PolarHBondContact O-N 2.85Å; M870-W873 PolarHBondContact O-N 2.99Å; K871-W873 VanDerWaalsContact C-N 3.33Å; K871-W873 PolarHBondContact O-N 3.34Å; W873-R876 WeakPolarHBondContact O-CB 3.48Å; W873-R876 PolarHBondContact O-N 3.24Å; W873-M877 HydrophobicContact CD2-CG 3.95Å; W873-M877 HydrophobicContact CE3-CG 3.96Å; W873-M877 HydrophobicContact CH2-CG 3.5Å; W873-M877 HydrophobicContact CH2-SD 4.21Å; W873-M877 HydrophobicContact CZ2-CE 4.15Å; W873-M877 HydrophobicContact CZ2-CG 3.44Å; W873-M877 VanDerWaalsContact CZ2-CG 3.44Å; W873-M877 HydrophobicContact CZ2-SD 3.74Å; W873-M877 HydrophobicContact CZ3-CG 3.76Å; W873-M877 PolarHBondContact O-N 2.93Å; W873-F1066 HydrophobicContact CE3-CE2 4.46Å; W873-F1066 HydrophobicContact CE3-CZ 4.02Å; W873-F1066 HydrophobicContact CZ3-CE2 4.07Å; W873-F1066 AromaticContact CZ3-CZ 3.66Å; W873-F1066 HydrophobicContact CZ3-CZ 3.66Å; W873-I1085 HydrophobicContact CE3-CD1 4.12Å; W873-I1085 HydrophobicContact CH2-CD1 4.24Å; W873-I1085 HydrophobicContact CZ3-CD1 3.49Å; W873-I1085 VanDerWaalsContact CZ3-CD1 3.49Å
874	I	74.7	Confident	71.9	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-44	177	-66.7	174.5	0	0	0	110.9	M870 K871 R876 M877 N878 F1066 K1083 I1085	M870-I874 HydrophobicContact CG-CD1 3.96Å; M870-I874 HydrophobicContact CG-CG1 4.47Å; M870-I874 VanDerWaalsContact O-CG1 3.27Å; M870-I874 WeakPolarHBondContact O-CG1 3.44Å; M870-I874 PolarHBondContact O-N 3.43Å; K871-I874 PolarHBondContact O-N 2.8Å; I874-R876 VanDerWaalsContact C-N 3.32Å; I874-R876 PolarHBondContact O-N 2.94Å; I874-M877 PolarHBondContact O-N 2.68Å; I874-N878 PolarHBondContact O-N 2.9Å; I874-N878 PolarHBondContact O-ND2 3.13Å; I874-F1066 HydrophobicContact CD1-CD2 3.75Å; I874-F1066 HydrophobicContact CD1-CE2 3.87Å; I874-F1066 HydrophobicContact CG1-CD2 4.36Å; I874-F1066 HydrophobicContact CG1-CE2 3.96Å; I874-K1083 HydrophobicContact CD1-CB 3.43Å; I874-K1083 VanDerWaalsContact CD1-CB 3.43Å; I874-K1083 HydrophobicContact CD1-CD 3.92Å; I874-K1083 HydrophobicContact CD1-CG 4.3Å; I874-I1085 HydrophobicContact CB-CD1 4.26Å; I874-I1085 HydrophobicContact CG1-CD1 3.98Å; I874-I1085 HydrophobicContact CG1-CG1 4.33Å; I874-I1085 HydrophobicContact CG2-CD1 4.14Å; I874-I1085 HydrophobicContact CG2-CG1 3.92Å
875	E	76	Confident	73.3	Confident	74 Å²	74	61.2 Å²	61.2	35%	0.346	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-41.4	174.7	-73.9	174.6	-171.8	0	0	111.5	K871 N878 L879	K871-E875 WeakPolarHBondContact CE-OE1 3.46Å; K871-E875 WeakPolarHBondContact CG-OE1 3.46Å; K871-E875 WeakPolarHBondContact O-CG 3.45Å; K871-E875 PolarHBondContact O-N 2.97Å; E875-N878 PolarHBondContact O-N 3.2Å; E875-L879 WeakPolarHBondContact O-CB 3.37Å; E875-L879 PolarHBondContact O-N 3.17Å
876	R	75.1	Confident	74.6	Confident	34 Å²	34	58 Å²	58	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-43.4	173	-73.3	-165.2	-52.2	-121	14.6	112.8	W797 D824 N872 W873 I874 L879 L880	W797-R876 HydrophobicContact CH2-CB 4.05Å; W797-R876 HydrophobicContact CZ3-CB 4.24Å; W797-R876 VanDerWaalsContact CZ3-O 3.25Å; W797-R876 WeakPolarHBondContact CZ3-O 3.48Å; D824-R876 IonicContact OD1-CZ 3.85Å; D824-R876 IonicContact OD1-NE 2.64Å; D824-R876 IonicContact OD1-NH2 3.18Å; D824-R876 PolarHBondContact OD1-NH2 3.23Å; D824-R876 IonicContact OD2-NE 3.48Å; D824-R876 IonicContact OD2-NH2 2.68Å; N872-R876 WeakPolarHBondContact O-CG 3.46Å; N872-R876 PolarHBondContact O-N 2.77Å; W873-R876 WeakPolarHBondContact O-CB 3.48Å; W873-R876 PolarHBondContact O-N 3.24Å; I874-R876 VanDerWaalsContact C-N 3.32Å; I874-R876 PolarHBondContact O-N 2.94Å; R876-L879 WeakPolarHBondContact O-CB 3.37Å; R876-L879 PolarHBondContact O-N 3.05Å; R876-L880 WeakPolarHBondContact O-CB 2.99Å; R876-L880 PolarHBondContact O-N 3.1Å
877	M	78.5	Confident	75.4	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-39	179.1	-73.8	-56.7	108.6	0	0	112.6	W797 D824 L828 W873 I874 L879 L880 Q881 I1085	W797-M877 HydrophobicContact CH2-CE 3.74Å; W797-M877 HydrophobicContact CZ2-CE 4.35Å; D824-M877 HydrophobicContact CB-CE 3.83Å; L828-M877 HydrophobicContact CB-SD 4.38Å; L828-M877 HydrophobicContact CD1-SD 3.98Å; L828-M877 HydrophobicContact CD2-SD 4.07Å; L828-M877 HydrophobicContact CG-SD 4.38Å; W873-M877 HydrophobicContact CD2-CG 3.95Å; W873-M877 HydrophobicContact CE3-CG 3.96Å; W873-M877 HydrophobicContact CH2-CG 3.5Å; W873-M877 HydrophobicContact CH2-SD 4.21Å; W873-M877 HydrophobicContact CZ2-CE 4.15Å; W873-M877 HydrophobicContact CZ2-CG 3.44Å; W873-M877 VanDerWaalsContact CZ2-CG 3.44Å; W873-M877 HydrophobicContact CZ2-SD 3.74Å; W873-M877 HydrophobicContact CZ3-CG 3.76Å; W873-M877 PolarHBondContact O-N 2.93Å; I874-M877 PolarHBondContact O-N 2.68Å; M877-L879 VanDerWaalsContact C-N 3.34Å; M877-L880 HydrophobicContact CE-CD2 4.35Å; M877-L880 WeakPolarHBondContact O-CB 3.29Å; M877-L880 PolarHBondContact O-N 3.48Å; M877-L880 HydrophobicContact SD-CD2 4.24Å; M877-Q881 PolarHBondContact O-N 3.34Å; M877-I1085 HydrophobicContact CB-CD1 3.75Å; M877-I1085 HydrophobicContact CG-CD1 4.1Å
878	N	79	Confident	76.3	Confident	72 Å²	72	55.1 Å²	55.1	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-42	173.5	-71.1	-24.4	0	0	0	111	I874 E875 L880 Q881 D882	I874-N878 PolarHBondContact O-N 2.9Å; I874-N878 PolarHBondContact O-ND2 3.13Å; E875-N878 PolarHBondContact O-N 3.2Å; N878-L880 VanDerWaalsContact C-N 3.32Å; N878-L880 PolarHBondContact O-N 2.68Å; N878-Q881 PolarHBondContact O-N 3.27Å; N878-D882 WeakPolarHBondContact O-CB 3.35Å; N878-D882 PolarHBondContact O-N 3.42Å
879	L	76	Confident	77.1	Confident	45 Å²	45	49.6 Å²	49.6	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-39.5	172.6	-173.8	69.3	0	0	0	111.8	V796 E875 R876 M877 D882 Q883	V796-L879 HydrophobicContact CG1-CD1 4.36Å; V796-L879 HydrophobicContact CG1-CD2 4.08Å; E875-L879 WeakPolarHBondContact O-CB 3.37Å; E875-L879 PolarHBondContact O-N 3.17Å; R876-L879 WeakPolarHBondContact O-CB 3.37Å; R876-L879 PolarHBondContact O-N 3.05Å; M877-L879 VanDerWaalsContact C-N 3.34Å; L879-D882 PolarHBondContact O-N 3.09Å; L879-Q883 HydrophobicContact CD1-CG 3.71Å; L879-Q883 HydrophobicContact CG-CG 4.05Å; L879-Q883 VanDerWaalsContact O-CB 3.28Å; L879-Q883 WeakPolarHBondContact O-CB 3.23Å; L879-Q883 VanDerWaalsContact O-CG 3.23Å; L879-Q883 WeakPolarHBondContact O-CG 3.37Å; L879-Q883 PolarHBondContact O-N 3.16Å
880	L	78.7	Confident	78	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-45.8	175.8	-169.5	64.9	0	0	0	110.7	F793 W797 L821 L825 R876 M877 N878 D882 L884 F1091	F793-L880 HydrophobicContact CE2-CD1 4.08Å; F793-L880 HydrophobicContact CZ-CD1 3.75Å; W797-L880 HydrophobicContact CE3-CD1 4.14Å; W797-L880 HydrophobicContact CH2-CB 3.96Å; W797-L880 HydrophobicContact CH2-CD1 4.03Å; W797-L880 HydrophobicContact CH2-CD2 4.25Å; W797-L880 HydrophobicContact CH2-CG 4.3Å; W797-L880 HydrophobicContact CZ3-CB 3.61Å; W797-L880 HydrophobicContact CZ3-CD1 3.75Å; W797-L880 HydrophobicContact CZ3-CG 4.16Å; L821-L880 HydrophobicContact CD1-CD1 3.74Å; L825-L880 HydrophobicContact CD2-CD2 3.91Å; R876-L880 WeakPolarHBondContact O-CB 2.99Å; R876-L880 PolarHBondContact O-N 3.1Å; M877-L880 HydrophobicContact CE-CD2 4.35Å; M877-L880 WeakPolarHBondContact O-CB 3.29Å; M877-L880 PolarHBondContact O-N 3.48Å; M877-L880 HydrophobicContact SD-CD2 4.24Å; N878-L880 VanDerWaalsContact C-N 3.32Å; N878-L880 PolarHBondContact O-N 2.68Å; L880-D882 VanDerWaalsContact C-N 3.32Å; L880-D882 PolarHBondContact O-N 2.92Å; L880-L884 HydrophobicContact CD1-CB 4.13Å; L880-L884 HydrophobicContact CD1-CD2 4.17Å; L880-L884 HydrophobicContact CG-CB 4.37Å; L880-L884 HydrophobicContact CG-CD2 4.32Å; L880-L884 WeakPolarHBondContact O-CA 3.48Å; L880-L884 WeakPolarHBondContact O-CB 3.06Å; L880-L884 PolarHBondContact O-N 3.25Å; L880-F1091 HydrophobicContact CB-CZ 4.42Å; L880-F1091 HydrophobicContact CD2-CZ 3.98Å; L880-F1091 HydrophobicContact CG-CZ 3.94Å
881	Q	77.8	Confident	79	Confident	61 Å²	61	52.2 Å²	52.2	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-41	177	-75.9	-168.2	-23	0	0	112.7	M877 N878 C1086 L1087 F1091	M877-Q881 PolarHBondContact O-N 3.34Å; N878-Q881 PolarHBondContact O-N 3.27Å; Q881-C1086 PolarHBondContact NE2-O 3.48Å; Q881-L1087 HydrophobicContact CG-CD2 4.29Å; Q881-F1091 HydrophobicContact CB-CE2 4.36Å; Q881-F1091 HydrophobicContact CB-CZ 4.4Å; Q881-F1091 HydrophobicContact CG-CD1 4.24Å; Q881-F1091 HydrophobicContact CG-CD2 4.37Å; Q881-F1091 HydrophobicContact CG-CE1 3.81Å; Q881-F1091 HydrophobicContact CG-CE2 3.96Å; Q881-F1091 HydrophobicContact CG-CG 4.49Å; Q881-F1091 HydrophobicContact CG-CZ 3.66Å
882	D	77.7	Confident	79.7	Confident	127 Å²	127	47.5 Å²	47.5	68%	0.679	24%	0.239	S	C	*	.	H	α-helix	trans	-73.8	-38.4	-176.8	-162.3	50.3	0	0	0	112	N878 L879 L880	N878-D882 WeakPolarHBondContact O-CB 3.35Å; N878-D882 PolarHBondContact O-N 3.42Å; L879-D882 PolarHBondContact O-N 3.09Å; L880-D882 VanDerWaalsContact C-N 3.32Å; L880-D882 PolarHBondContact O-N 2.92Å
883	Q	78.1	Confident	80.5	Confident	78 Å²	78	46.7 Å²	46.7	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-94.8	-31.1	-173.5	-58.2	-62.3	-48.4	0	0	113.9	F793 L879 S885	F793-Q883 HydrophobicContact CD2-CB 3.91Å; F793-Q883 HydrophobicContact CE2-CB 4.12Å; L879-Q883 HydrophobicContact CD1-CG 3.71Å; L879-Q883 HydrophobicContact CG-CG 4.05Å; L879-Q883 VanDerWaalsContact O-CB 3.28Å; L879-Q883 WeakPolarHBondContact O-CB 3.23Å; L879-Q883 VanDerWaalsContact O-CG 3.23Å; L879-Q883 WeakPolarHBondContact O-CG 3.37Å; L879-Q883 PolarHBondContact O-N 3.16Å; Q883-S885 VanDerWaalsContact C-N 3.33Å; Q883-S885 PolarHBondContact O-N 2.93Å
884	L	81	Confident	81.1	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	26%	0.255	C	S	.	.			trans	-78.5	80.5	-179.5	-174	64.5	0	0	0	110.9	F793 L880 I888 F1091 M1094 I1098	F793-L884 HydrophobicContact CE1-CD1 4.31Å; F793-L884 HydrophobicContact CE2-CB 4.11Å; F793-L884 HydrophobicContact CE2-CD1 4.32Å; F793-L884 HydrophobicContact CZ-CB 4.32Å; F793-L884 HydrophobicContact CZ-CD1 3.9Å; L880-L884 HydrophobicContact CD1-CB 4.13Å; L880-L884 HydrophobicContact CD1-CD2 4.17Å; L880-L884 HydrophobicContact CG-CB 4.37Å; L880-L884 HydrophobicContact CG-CD2 4.32Å; L880-L884 WeakPolarHBondContact O-CA 3.48Å; L880-L884 WeakPolarHBondContact O-CB 3.06Å; L880-L884 PolarHBondContact O-N 3.25Å; L884-I888 HydrophobicContact CD1-CB 4.31Å; L884-I888 HydrophobicContact CD1-CG2 3.91Å; L884-F1091 HydrophobicContact CB-CE2 4.36Å; L884-F1091 HydrophobicContact CD2-CE2 4.1Å; L884-M1094 HydrophobicContact CD2-CE 3.88Å; L884-M1094 HydrophobicContact CG-CE 3.78Å; L884-M1094 HydrophobicContact CG-SD 4.41Å; L884-M1094 VanDerWaalsContact O-CE 3.32Å; L884-M1094 WeakPolarHBondContact O-CE 3.49Å; L884-I1098 HydrophobicContact CD1-CD1 3.9Å; L884-I1098 HydrophobicContact CD2-CD1 3.71Å; L884-I1098 HydrophobicContact CG-CD1 4.28Å
885	S	80.7	Confident	81.9	Confident	44 Å²	44	48.5 Å²	48.5	31%	0.308	25%	0.253	S	S	.	.			trans	-68	152.2	174.4	71.9	0	0	0	0	112.2	Q883 N887 I888 G889	Q883-S885 VanDerWaalsContact C-N 3.33Å; Q883-S885 PolarHBondContact O-N 2.93Å; S885-N887 PolarHBondContact O-N 3.4Å; S885-I888 PolarHBondContact O-N 3.16Å; S885-I888 PolarHBondContact OG-N 3.01Å; S885-G889 PolarHBondContact O-N 2.96Å; S885-G889 VanDerWaalsContact O-N 3.1Å
886	P	82.2	Confident	82.7	Confident	76 Å²	76	45.3 Å²	45.3	49%	0.494	24%	0.238	S	C	.	.	H	α-helix	trans	-53	-24.1	171.4	-29	35.8	0	0	0	114.6	R890	P886-R890 WeakPolarHBondContact O-CB 3.29Å; P886-R890 WeakPolarHBondContact O-CG 3.23Å; P886-R890 PolarHBondContact O-N 2.88Å; P886-R890 VanDerWaalsContact O-N 3.1Å; P886-R890 PolarHBondContact O-NE 3.01Å
887	N	82.4	Confident	83.5	Confident	106 Å²	106	44.8 Å²	44.8	57%	0.567	24%	0.239	S	C	*	.	H	α-helix	trans	-74.7	-39.4	176.7	-67.8	-33.2	0	0	0	112.4	S885 R890 F891	S885-N887 PolarHBondContact O-N 3.4Å; N887-R890 PolarHBondContact OD1-NH1 3.24Å; N887-R890 PolarHBondContact OD1-NH2 2.77Å; N887-F891 WeakPolarHBondContact O-CB 3.46Å; N887-F891 PolarHBondContact O-N 3.5Å
888	I	84.5	Confident	84.1	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-45.6	175.2	-67	169.7	0	0	0	109.5	L790 F793 L884 S885 R890 F891 L892	L790-I888 HydrophobicContact CD1-CG2 4.38Å; F793-I888 HydrophobicContact CB-CD1 4.25Å; F793-I888 HydrophobicContact CD1-CG2 4.29Å; F793-I888 HydrophobicContact CG-CD1 4.44Å; L884-I888 HydrophobicContact CD1-CB 4.31Å; L884-I888 HydrophobicContact CD1-CG2 3.91Å; S885-I888 PolarHBondContact O-N 3.16Å; S885-I888 PolarHBondContact OG-N 3.01Å; I888-R890 PolarHBondContact O-N 2.72Å; I888-F891 WeakPolarHBondContact O-CB 3.46Å; I888-F891 PolarHBondContact O-N 3.25Å; I888-L892 HydrophobicContact CG2-CD1 4.16Å; I888-L892 HydrophobicContact CG2-CG 4.49Å; I888-L892 PolarHBondContact O-N 3.15Å
889	G	84.3	Confident	84.7	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-49.2	176.2	0	0	0	0	0	112.8	S885 F891 L892 C893	S885-G889 PolarHBondContact O-N 2.96Å; S885-G889 VanDerWaalsContact O-N 3.1Å; G889-F891 VanDerWaalsContact C-N 3.29Å; G889-F891 PolarHBondContact O-N 2.67Å; G889-L892 PolarHBondContact O-N 2.99Å; G889-C893 PolarHBondContact O-N 3.18Å; G889-C893 VanDerWaalsContact O-N 3.12Å; G889-C893 PolarHBondContact O-SG 3.12Å; G889-C893 VanDerWaalsContact O-SG 3.36Å
890	R	86.2	Confident	85.4	Confident	154 Å²	154	45.5 Å²	45.5	58%	0.581	25%	0.245	S	C	*	.	H	α-helix	trans	-61.6	-35.2	174.1	-78.2	-173.5	-107.2	107.9	-1.9	112.9	P886 N887 I888 S894	P886-R890 WeakPolarHBondContact O-CB 3.29Å; P886-R890 WeakPolarHBondContact O-CG 3.23Å; P886-R890 PolarHBondContact O-N 2.88Å; P886-R890 VanDerWaalsContact O-N 3.1Å; P886-R890 PolarHBondContact O-NE 3.01Å; N887-R890 PolarHBondContact OD1-NH1 3.24Å; N887-R890 PolarHBondContact OD1-NH2 2.77Å; I888-R890 PolarHBondContact O-N 2.72Å; R890-S894 WeakPolarHBondContact O-CB 3.12Å; R890-S894 PolarHBondContact O-N 3.01Å; R890-S894 VanDerWaalsContact O-N 3.13Å; R890-S894 PolarHBondContact O-OG 3.33Å
891	F	88.4	Confident	86.1	Confident	11 Å²	11	49.1 Å²	49.1	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-49	177.8	-177.9	-107.4	0	0	0	111.3	K786 P787 L790 N887 I888 G889 S894 R895	K786-F891 HydrophobicContact CB-CD2 3.9Å; K786-F891 HydrophobicContact CB-CE1 4.4Å; K786-F891 HydrophobicContact CB-CE2 3.56Å; K786-F891 HydrophobicContact CB-CG 4.43Å; K786-F891 HydrophobicContact CB-CZ 3.83Å; K786-F891 HydrophobicContact CD-CD2 3.72Å; K786-F891 HydrophobicContact CD-CE2 3.83Å; K786-F891 HydrophobicContact CG-CD2 4.27Å; K786-F891 HydrophobicContact CG-CE2 4.31Å; P787-F891 HydrophobicContact CG-CZ 4.04Å; L790-F891 HydrophobicContact CB-CD1 4.34Å; L790-F891 HydrophobicContact CB-CE1 4.23Å; L790-F891 HydrophobicContact CD2-CD1 4.12Å; L790-F891 HydrophobicContact CD2-CE1 3.85Å; N887-F891 WeakPolarHBondContact O-CB 3.46Å; N887-F891 PolarHBondContact O-N 3.5Å; I888-F891 WeakPolarHBondContact O-CB 3.46Å; I888-F891 PolarHBondContact O-N 3.25Å; G889-F891 VanDerWaalsContact C-N 3.29Å; G889-F891 PolarHBondContact O-N 2.67Å; F891-S894 PolarHBondContact O-N 2.93Å; F891-S894 PolarHBondContact O-OG 3.04Å; F891-S894 VanDerWaalsContact O-OG 3.09Å; F891-R895 WeakPolarHBondContact O-CG 3.49Å; F891-R895 PolarHBondContact O-N 2.55Å; F891-R895 PolarHBondContact O-NE 3.36Å
892	L	85.9	Confident	86.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-54.8	-53.2	176.5	-76.7	170.7	0	0	0	112	L790 I888 G889 S894 I1098 K1107 I1111	L790-L892 HydrophobicContact CD1-CD1 4.4Å; L790-L892 HydrophobicContact CD1-CD2 3.53Å; L790-L892 HydrophobicContact CD1-CG 4.04Å; L790-L892 HydrophobicContact CD2-CD2 3.98Å; L790-L892 HydrophobicContact CG-CD2 4.42Å; I888-L892 HydrophobicContact CG2-CD1 4.16Å; I888-L892 HydrophobicContact CG2-CG 4.49Å; I888-L892 PolarHBondContact O-N 3.15Å; G889-L892 PolarHBondContact O-N 2.99Å; L892-S894 VanDerWaalsContact C-N 3.3Å; L892-S894 PolarHBondContact O-N 3.21Å; L892-I1098 HydrophobicContact CD1-CD1 4.27Å; L892-I1098 HydrophobicContact CD1-CG1 4.36Å; L892-I1098 HydrophobicContact CD1-CG2 4.19Å; L892-K1107 VanDerWaalsContact O-CE 3.26Å; L892-K1107 WeakPolarHBondContact O-CE 3.4Å; L892-I1111 HydrophobicContact CD2-CD1 4.09Å; L892-I1111 HydrophobicContact CD2-CG1 4.43Å; L892-I1111 HydrophobicContact CD2-CG2 3.7Å
893	C	87.1	Confident	87.6	Confident	42 Å²	42	40.2 Å²	40.2	28%	0.284	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-33.6	-177.8	-60.7	0	0	0	0	112.5	G889 K1107	G889-C893 PolarHBondContact O-N 3.18Å; G889-C893 VanDerWaalsContact O-N 3.12Å; G889-C893 PolarHBondContact O-SG 3.12Å; G889-C893 VanDerWaalsContact O-SG 3.36Å; C893-K1107 PolarHBondContact O-NZ 3.29Å
894	S	88.8	Confident	88.5	Confident	55 Å²	55	39.9 Å²	39.9	39%	0.385	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.2	-173.2	66.6	0	0	0	0	116.1	R890 F891 L892	R890-S894 WeakPolarHBondContact O-CB 3.12Å; R890-S894 PolarHBondContact O-N 3.01Å; R890-S894 VanDerWaalsContact O-N 3.13Å; R890-S894 PolarHBondContact O-OG 3.33Å; F891-S894 PolarHBondContact O-N 2.93Å; F891-S894 PolarHBondContact O-OG 3.04Å; F891-S894 VanDerWaalsContact O-OG 3.09Å; L892-S894 VanDerWaalsContact C-N 3.3Å; L892-S894 PolarHBondContact O-N 3.21Å
895	R	91.4	Very high	89.1	Confident	5 Å²	5	40.6 Å²	40.6	2%	0.019	22%	0.215	C	C	.	.			trans	-73	135.3	-179.3	-64.6	-53.6	80.3	-137.8	-10.8	111.6	F891 L972 K1107 I1111	F891-R895 WeakPolarHBondContact O-CG 3.49Å; F891-R895 PolarHBondContact O-N 2.55Å; F891-R895 PolarHBondContact O-NE 3.36Å; R895-L972 HydrophobicContact CB-CD1 4.1Å; R895-L972 HydrophobicContact CB-CD2 4.26Å; R895-L972 HydrophobicContact CG-CD2 4.19Å; R895-K1107 WeakPolarHBondContact O-CE 3.47Å; R895-K1107 PolarHBondContact O-NZ 2.99Å; R895-I1111 HydrophobicContact CB-CD1 3.75Å; R895-I1111 HydrophobicContact CG-CD1 3.53Å
896	P	93	Very high	89.9	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.039	20%	0.201	C	C	.	.			trans	-69.9	158.1	174.4	31.6	-38.1	0	0	0	111.6	E901 C902 L968 L972 I974 V1110	P896-E901 WeakPolarHBondContact CA-OE2 3.4Å; P896-E901 HydrophobicContact CB-CB 3.44Å; P896-E901 VanDerWaalsContact CB-CB 3.44Å; P896-C902 HydrophobicContact CG-CB 4.32Å; P896-C902 WeakPolarHBondContact CG-SG 3.4Å; P896-L968 HydrophobicContact CG-CD1 4.24Å; P896-L972 HydrophobicContact CG-CD1 3.65Å; P896-I974 HydrophobicContact CG-CD1 4.29Å; P896-V1110 WeakPolarHBondContact O-CG2 3.45Å
897	S	91.1	Very high	90.5	Very high	23 Å²	23	35.8 Å²	35.8	16%	0.161	18%	0.181	C	C	.	.	S	Bend	trans	-113.4	-20.8	178.7	-19	0	0	0	0	111.3	E901	S897-E901 PolarHBondContact N-OE2 2.98Å; S897-E901 PolarHBondContact OG-OE2 2.87Å
898	T	91.8	Very high	91.2	Very high	53 Å²	53	33.4 Å²	33.4	33%	0.325	17%	0.168	S	C	.	.	S	Bend	trans	-130.9	164	-178.7	69.9	0	0	0	0	111.7	N900 E901 C902	T898-N900 PolarHBondContact O-N 2.87Å; T898-E901 PolarHBondContact O-N 2.94Å; T898-E901 WeakPolarHBondContact OG1-CG 3.34Å; T898-E901 PolarHBondContact OG1-N 3.31Å; T898-C902 PolarHBondContact O-N 3.18Å; T898-C902 PolarHBondContact O-SG 2.73Å
899	W	91.2	Very high	91.8	Very high	14 Å²	14	34.2 Å²	34.2	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-41.5	177.5	172.8	-110.4	0	0	0	113.2	E901 C902 L903 A965 R966 A969 I974 V976 P977 Y1010	W899-E901 VanDerWaalsContact C-N 3.32Å; W899-E901 PolarHBondContact O-N 3.03Å; W899-C902 HydrophobicContact CE3-CB 4.37Å; W899-C902 WeakPolarHBondContact O-CA 3.4Å; W899-C902 VanDerWaalsContact O-CB 3.24Å; W899-C902 WeakPolarHBondContact O-CB 3.5Å; W899-C902 PolarHBondContact O-N 3.19Å; W899-L903 HydrophobicContact CZ2-CD1 4.31Å; W899-L903 HydrophobicContact CZ2-CD2 4.08Å; W899-L903 HydrophobicContact CZ2-CG 4.23Å; W899-L903 PolarHBondContact O-N 2.72Å; W899-A965 HydrophobicContact CH2-CB 3.7Å; W899-A965 HydrophobicContact CZ2-CB 4.41Å; W899-A965 HydrophobicContact CZ3-CB 3.82Å; W899-R966 HydrophobicContact CH2-CG 3.89Å; W899-R966 HydrophobicContact CZ3-CG 4.3Å; W899-A969 HydrophobicContact CE3-CB 4.09Å; W899-A969 HydrophobicContact CZ3-CB 4.03Å; W899-I974 HydrophobicContact CB-CG2 4.49Å; W899-V976 HydrophobicContact CD2-CG1 4.41Å; W899-V976 HydrophobicContact CE3-CG1 4.28Å; W899-V976 HydrophobicContact CE3-CG2 4.01Å; W899-V976 HydrophobicContact CH2-CG1 4.14Å; W899-V976 HydrophobicContact CZ2-CG1 4.25Å; W899-V976 HydrophobicContact CZ3-CG1 4.14Å; W899-V976 HydrophobicContact CZ3-CG2 3.85Å; W899-P977 HydrophobicContact CB-CG 4.44Å; W899-P977 HydrophobicContact CG-CG 4.25Å; W899-Y1010 VanDerWaalsContact CD1-OH 3.27Å; W899-Y1010 AromaticContact NE1-CZ 3.98Å; W899-Y1010 PolarHBondContact NE1-OH 2.86Å
900	N	91.4	Very high	92.4	Very high	66 Å²	66	34.1 Å²	34.1	35%	0.353	17%	0.169	S	C	.	.	H	α-helix	trans	-64.6	-37.8	177.1	-69.6	-2.1	0	0	0	111.4	T898 C902 L903 Y904	T898-N900 PolarHBondContact O-N 2.87Å; N900-C902 VanDerWaalsContact C-N 3.29Å; N900-C902 PolarHBondContact O-N 3.04Å; N900-L903 WeakPolarHBondContact O-CB 3.36Å; N900-L903 PolarHBondContact O-N 3.4Å; N900-L903 VanDerWaalsContact O-N 3.14Å; N900-Y904 HydrophobicContact CB-CE2 4.24Å; N900-Y904 WeakPolarHBondContact O-CD2 3.39Å; N900-Y904 PolarHBondContact O-N 2.9Å
901	E	93	Very high	92.9	Very high	77 Å²	77	27.1 Å²	27.1	36%	0.36	14%	0.143	S	C	.	.	H	α-helix	trans	-64.8	-32.4	172.8	-70.8	-179.5	178	0	0	112.3	P896 S897 T898 W899 Y904 L905	P896-E901 WeakPolarHBondContact CA-OE2 3.4Å; P896-E901 HydrophobicContact CB-CB 3.44Å; P896-E901 VanDerWaalsContact CB-CB 3.44Å; S897-E901 PolarHBondContact N-OE2 2.98Å; S897-E901 PolarHBondContact OG-OE2 2.87Å; T898-E901 PolarHBondContact O-N 2.94Å; T898-E901 WeakPolarHBondContact OG1-CG 3.34Å; T898-E901 PolarHBondContact OG1-N 3.31Å; W899-E901 VanDerWaalsContact C-N 3.32Å; W899-E901 PolarHBondContact O-N 3.03Å; E901-Y904 PolarHBondContact O-N 3.34Å; E901-L905 WeakPolarHBondContact O-CB 3.25Å; E901-L905 PolarHBondContact O-N 3.39Å
902	C	93.9	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-44	170.2	-65.6	0	0	0	0	111.4	P896 T898 W899 N900 L905 A906 A965 L968	P896-C902 HydrophobicContact CG-CB 4.32Å; P896-C902 WeakPolarHBondContact CG-SG 3.4Å; T898-C902 PolarHBondContact O-N 3.18Å; T898-C902 PolarHBondContact O-SG 2.73Å; W899-C902 HydrophobicContact CE3-CB 4.37Å; W899-C902 WeakPolarHBondContact O-CA 3.4Å; W899-C902 VanDerWaalsContact O-CB 3.24Å; W899-C902 WeakPolarHBondContact O-CB 3.5Å; W899-C902 PolarHBondContact O-N 3.19Å; N900-C902 VanDerWaalsContact C-N 3.29Å; N900-C902 PolarHBondContact O-N 3.04Å; C902-L905 PolarHBondContact O-N 3.04Å; C902-A906 WeakPolarHBondContact O-CB 3.47Å; C902-A906 PolarHBondContact O-N 3.41Å; C902-A965 HydrophobicContact CB-CB 3.94Å; C902-L968 HydrophobicContact CB-CB 4.21Å; C902-L968 HydrophobicContact CB-CD1 4.06Å
903	L	93.9	Very high	93.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-41.7	176.5	-69.9	170	0	0	0	112	W899 N900 A906 R907 V961 A965 Y1010 L1011 V1014 F1015	W899-L903 HydrophobicContact CZ2-CD1 4.31Å; W899-L903 HydrophobicContact CZ2-CD2 4.08Å; W899-L903 HydrophobicContact CZ2-CG 4.23Å; W899-L903 PolarHBondContact O-N 2.72Å; N900-L903 WeakPolarHBondContact O-CB 3.36Å; N900-L903 PolarHBondContact O-N 3.4Å; N900-L903 VanDerWaalsContact O-N 3.14Å; L903-A906 WeakPolarHBondContact O-CB 3.41Å; L903-A906 PolarHBondContact O-N 2.91Å; L903-R907 WeakPolarHBondContact O-CB 3.14Å; L903-R907 PolarHBondContact O-N 2.82Å; L903-V961 HydrophobicContact CD2-CG1 3.9Å; L903-A965 HydrophobicContact CD2-CB 3.73Å; L903-A965 HydrophobicContact CG-CB 4.19Å; L903-Y1010 HydrophobicContact CD1-CE1 4.09Å; L903-L1011 HydrophobicContact CD2-CD2 4.27Å; L903-V1014 HydrophobicContact CB-CG1 4.3Å; L903-V1014 HydrophobicContact CD1-CG1 3.85Å; L903-V1014 HydrophobicContact CD1-CG2 4.26Å; L903-F1015 HydrophobicContact CB-CE1 4.14Å; L903-F1015 HydrophobicContact CB-CZ 4.17Å
904	Y	95.8	Very high	94.3	Very high	71 Å²	71	28.9 Å²	28.9	28%	0.278	15%	0.147	S	C	.	.	H	α-helix	trans	-61.1	-47.6	174.7	-60.4	-27.3	0	0	0	111.6	N900 E901 A906 R907 D908 V1014 F1015 Y1018	N900-Y904 HydrophobicContact CB-CE2 4.24Å; N900-Y904 WeakPolarHBondContact O-CD2 3.39Å; N900-Y904 PolarHBondContact O-N 2.9Å; E901-Y904 PolarHBondContact O-N 3.34Å; Y904-A906 VanDerWaalsContact C-N 3.31Å; Y904-A906 PolarHBondContact O-N 3.24Å; Y904-R907 PolarHBondContact O-N 3.06Å; Y904-D908 PolarHBondContact O-N 3.37Å; Y904-V1014 HydrophobicContact CE1-CG1 3.8Å; Y904-V1014 VanDerWaalsContact CE1-O 3.31Å; Y904-V1014 WeakPolarHBondContact CE1-O 3.15Å; Y904-V1014 PolarHBondContact OH-O 2.85Å; Y904-F1015 AromaticContact CD1-CD1 3.88Å; Y904-F1015 HydrophobicContact CD1-CD1 3.88Å; Y904-F1015 AromaticContact CD1-CE1 3.84Å; Y904-F1015 HydrophobicContact CD1-CE1 3.84Å; Y904-F1015 AromaticContact CE1-CD1 3.92Å; Y904-F1015 HydrophobicContact CE1-CD1 3.92Å; Y904-F1015 HydrophobicContact CE1-CE1 4.23Å; Y904-Y1018 AromaticContact CD1-CD2 3.38Å; Y904-Y1018 HydrophobicContact CD1-CD2 3.38Å; Y904-Y1018 HydrophobicContact CD1-CE2 4.13Å; Y904-Y1018 AromaticContact CD1-CG 4Å; Y904-Y1018 HydrophobicContact CD1-CG 4Å; Y904-Y1018 HydrophobicContact CE1-CD2 4.13Å; Y904-Y1018 HydrophobicContact CE1-CG 4.42Å; Y904-Y1018 AromaticContact CG-CD2 3.76Å; Y904-Y1018 HydrophobicContact CG-CD2 3.76Å; Y904-Y1018 HydrophobicContact CG-CE2 4.23Å
905	L	94.8	Very high	94.7	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.105	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-36	177.1	-178.8	62.5	0	0	0	112	E901 C902 D908 K909 L968	E901-L905 WeakPolarHBondContact O-CB 3.25Å; E901-L905 PolarHBondContact O-N 3.39Å; C902-L905 PolarHBondContact O-N 3.04Å; L905-D908 WeakPolarHBondContact O-CB 3.5Å; L905-D908 PolarHBondContact O-N 2.81Å; L905-K909 WeakPolarHBondContact O-CG 3.45Å; L905-K909 PolarHBondContact O-N 3.15Å; L905-L968 HydrophobicContact CB-CD1 4.11Å; L905-L968 HydrophobicContact CD2-CD1 3.73Å; L905-L968 HydrophobicContact CD2-CD2 4.05Å; L905-L968 HydrophobicContact CG-CD1 4.13Å
906	A	96.2	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-43	173.7	0	0	0	0	0	111.5	C902 L903 Y904 K909 F910 V961 Y964 A965	C902-A906 WeakPolarHBondContact O-CB 3.47Å; C902-A906 PolarHBondContact O-N 3.41Å; L903-A906 WeakPolarHBondContact O-CB 3.41Å; L903-A906 PolarHBondContact O-N 2.91Å; Y904-A906 VanDerWaalsContact C-N 3.31Å; Y904-A906 PolarHBondContact O-N 3.24Å; A906-K909 WeakPolarHBondContact O-CB 3.13Å; A906-K909 PolarHBondContact O-N 2.76Å; A906-F910 PolarHBondContact O-N 3.08Å; A906-V961 HydrophobicContact CB-CG1 4.09Å; A906-V961 VanDerWaalsContact CB-O 3.29Å; A906-V961 WeakPolarHBondContact CB-O 3.45Å; A906-Y964 HydrophobicContact CB-CD1 3.77Å; A906-Y964 HydrophobicContact CB-CG 4.03Å; A906-A965 HydrophobicContact CB-CB 4.32Å
907	R	96.5	Very high	94.9	Very high	20 Å²	20	29.7 Å²	29.7	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-66.6	-35.9	176.6	-179.1	61.6	-169.1	86.4	-0.3	112.7	L903 Y904 K909 F910 Q911 F1015 Y1018	L903-R907 WeakPolarHBondContact O-CB 3.14Å; L903-R907 PolarHBondContact O-N 2.82Å; Y904-R907 PolarHBondContact O-N 3.06Å; R907-K909 VanDerWaalsContact C-N 3.31Å; R907-F910 WeakPolarHBondContact O-CB 3.31Å; R907-F910 PolarHBondContact O-N 3.44Å; R907-Q911 PolarHBondContact O-N 3.23Å; R907-F1015 HydrophobicContact CB-CE1 3.96Å; R907-F1015 HydrophobicContact CB-CZ 4Å; R907-F1015 HydrophobicContact CG-CE1 4.35Å; R907-F1015 HydrophobicContact CG-CZ 4.42Å; R907-Y1018 HydrophobicContact CB-CE1 4.02Å; R907-Y1018 HydrophobicContact CB-CE2 4.4Å; R907-Y1018 HydrophobicContact CG-CD1 3.91Å; R907-Y1018 HydrophobicContact CG-CE1 3.17Å; R907-Y1018 HydrophobicContact CG-CE2 4.4Å; R907-Y1018 VanDerWaalsContact CG-CZ 3.45Å; R907-Y1018 WeakPolarHBondContact CG-OH 3.48Å
908	D	96.1	Very high	95.1	Very high	56 Å²	56	28.6 Å²	28.6	30%	0.299	14%	0.136	S	C	.	.	H	α-helix	trans	-60	-43.3	170.2	-84.9	-25.7	0	0	0	111.1	Y904 L905 Q911 H912 Y1018 P1021	Y904-D908 PolarHBondContact O-N 3.37Å; L905-D908 WeakPolarHBondContact O-CB 3.5Å; L905-D908 PolarHBondContact O-N 2.81Å; D908-Q911 WeakPolarHBondContact O-CB 3.49Å; D908-Q911 PolarHBondContact O-N 3.12Å; D908-H912 WeakPolarHBondContact O-CB 3.34Å; D908-H912 PolarHBondContact O-N 2.78Å; D908-Y1018 WeakPolarHBondContact CA-OH 3.21Å; D908-Y1018 PolarHBondContact N-OH 3.35Å; D908-Y1018 VanDerWaalsContact N-OH 3.08Å; D908-Y1018 PolarHBondContact OD1-OH 2.88Å; D908-P1021 WeakPolarHBondContact OD1-CD 3.43Å; D908-P1021 WeakPolarHBondContact OD1-CG 3.49Å
909	K	96.1	Very high	95.3	Very high	40 Å²	40	30.2 Å²	30.2	17%	0.174	14%	0.136	C	C	.	.	H	α-helix	trans	-68.5	-38.4	179.9	-68.3	-72.9	-177	-165.3	0	112	L905 A906 R907 Q911 H912 Y913 F960 Y964	L905-K909 WeakPolarHBondContact O-CG 3.45Å; L905-K909 PolarHBondContact O-N 3.15Å; A906-K909 WeakPolarHBondContact O-CB 3.13Å; A906-K909 PolarHBondContact O-N 2.76Å; R907-K909 VanDerWaalsContact C-N 3.31Å; K909-Q911 VanDerWaalsContact C-N 3.35Å; K909-H912 PolarHBondContact O-N 3.04Å; K909-Y913 HydrophobicContact CB-CD2 4.44Å; K909-Y913 HydrophobicContact CB-CE2 4.18Å; K909-Y913 HydrophobicContact CD-CE1 4.41Å; K909-Y913 HydrophobicContact CD-CE2 4.29Å; K909-Y913 VanDerWaalsContact O-CB 3.29Å; K909-Y913 WeakPolarHBondContact O-CB 3.21Å; K909-Y913 WeakPolarHBondContact O-CD2 3.33Å; K909-Y913 VanDerWaalsContact O-CG 3.25Å; K909-Y913 PolarHBondContact O-N 3.32Å; K909-F960 HydrophobicContact CB-CZ 4.43Å; K909-Y964 HydrophobicContact CB-CD2 4.4Å; K909-Y964 HydrophobicContact CB-CE2 3.99Å; K909-Y964 HydrophobicContact CD-CE2 4.49Å; K909-Y964 WeakPolarHBondContact CE-OH 3.16Å; K909-Y964 HydrophobicContact CG-CE1 4.04Å; K909-Y964 HydrophobicContact CG-CE2 3.92Å
910	F	97.6	Very high	95.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.7	-52.3	170.1	-176.3	-78.1	0	0	0	110.2	A906 R907 H912 Y913 F914 I948 Y950 H957 F960 L1138	A906-F910 PolarHBondContact O-N 3.08Å; R907-F910 WeakPolarHBondContact O-CB 3.31Å; R907-F910 PolarHBondContact O-N 3.44Å; F910-H912 VanDerWaalsContact C-N 3.32Å; F910-H912 PolarHBondContact O-N 2.64Å; F910-Y913 PolarHBondContact O-N 3.29Å; F910-F914 HydrophobicContact CB-CD2 4.46Å; F910-F914 HydrophobicContact CD1-CD2 4.42Å; F910-F914 AromaticContact CD2-CD2 3.74Å; F910-F914 HydrophobicContact CD2-CD2 3.74Å; F910-F914 HydrophobicContact CD2-CE2 4.09Å; F910-F914 HydrophobicContact CE2-CD2 4Å; F910-F914 AromaticContact CG-CD2 3.97Å; F910-F914 HydrophobicContact CG-CD2 3.97Å; F910-F914 HydrophobicContact CZ-CD2 4.43Å; F910-F914 WeakPolarHBondContact O-CD2 3.47Å; F910-F914 PolarHBondContact O-N 2.99Å; F910-I948 HydrophobicContact CE1-CG2 4.3Å; F910-I948 HydrophobicContact CZ-CG2 3.86Å; F910-Y950 AromaticContact CD1-CD2 3.76Å; F910-Y950 HydrophobicContact CD1-CD2 3.76Å; F910-Y950 HydrophobicContact CD1-CG 4.25Å; F910-Y950 AromaticContact CD2-CD2 3.92Å; F910-Y950 HydrophobicContact CD2-CD2 3.92Å; F910-Y950 HydrophobicContact CD2-CE2 4.39Å; F910-Y950 AromaticContact CE1-CD2 3.78Å; F910-Y950 HydrophobicContact CE1-CD2 3.78Å; F910-Y950 HydrophobicContact CE1-CG 4.19Å; F910-Y950 AromaticContact CE2-CD2 3.9Å; F910-Y950 HydrophobicContact CE2-CD2 3.9Å; F910-Y950 AromaticContact CG-CD2 3.85Å; F910-Y950 HydrophobicContact CG-CD2 3.85Å; F910-Y950 AromaticContact CZ-CD2 3.84Å; F910-Y950 HydrophobicContact CZ-CD2 3.84Å; F910-H957 HydrophobicContact CE2-CB 4.12Å; F910-H957 AromaticContact CE2-CD2 3.8Å; F910-H957 AromaticContact CE2-CG 3.8Å; F910-H957 AromaticContact CZ-CD2 3.84Å; F910-H957 AromaticContact CZ-CE1 3.89Å; F910-H957 AromaticContact CZ-CG 3.84Å; F910-H957 AromaticContact CZ-ND1 3.92Å; F910-H957 AromaticContact CZ-NE2 3.8Å; F910-F960 HydrophobicContact CB-CD1 3.94Å; F910-F960 HydrophobicContact CB-CE1 3.71Å; F910-F960 AromaticContact CD2-CD1 3.73Å; F910-F960 HydrophobicContact CD2-CD1 3.73Å; F910-F960 HydrophobicContact CD2-CE1 4.25Å; F910-F960 HydrophobicContact CD2-CG 4.3Å; F910-F960 HydrophobicContact CG-CD1 4.34Å; F910-F960 HydrophobicContact CG-CE1 4.49Å; F910-L1138 HydrophobicContact CD2-CD1 4.01Å; F910-L1138 HydrophobicContact CE2-CD1 3.67Å; F910-L1138 HydrophobicContact CE2-CD2 3.81Å; F910-L1138 HydrophobicContact CE2-CG 4.42Å; F910-L1138 HydrophobicContact CZ-CD2 4.22Å
911	Q	97.2	Very high	95.5	Very high	8 Å²	8	28 Å²	28	4%	0.037	12%	0.124	C	C	.	.	I	π-helix	trans	-57.4	-46.4	179.5	-165.2	64.5	29.4	0	0	111.3	R907 D908 K909 N915 H916 P1020 P1021	R907-Q911 PolarHBondContact O-N 3.23Å; D908-Q911 WeakPolarHBondContact O-CB 3.49Å; D908-Q911 PolarHBondContact O-N 3.12Å; K909-Q911 VanDerWaalsContact C-N 3.35Å; Q911-N915 VanDerWaalsContact NE2-CG 3.27Å; Q911-N915 PolarHBondContact NE2-OD1 3.39Å; Q911-N915 WeakPolarHBondContact O-CA 3.44Å; Q911-N915 WeakPolarHBondContact O-CB 3.44Å; Q911-N915 PolarHBondContact O-N 2.95Å; Q911-H916 WeakPolarHBondContact CG-NE2 3.21Å; Q911-H916 PolarHBondContact O-N 2.79Å; Q911-P1020 HydrophobicContact CG-CB 4.46Å; Q911-P1021 HydrophobicContact CB-CG 4.38Å; Q911-P1021 HydrophobicContact CG-CG 4.25Å
912	H	95.6	Very high	95.6	Very high	85 Å²	85	27 Å²	27	39%	0.394	12%	0.121	S	C	.	.	I	π-helix	trans	-66.8	-45	-178.4	-175.4	70.5	0	0	0	112.3	D908 K909 F910 K917	D908-H912 WeakPolarHBondContact O-CB 3.34Å; D908-H912 PolarHBondContact O-N 2.78Å; K909-H912 PolarHBondContact O-N 3.04Å; F910-H912 VanDerWaalsContact C-N 3.32Å; F910-H912 PolarHBondContact O-N 2.64Å; H912-K917 WeakPolarHBondContact O-CG 3.44Å; H912-K917 PolarHBondContact O-N 3.11Å; H912-K917 VanDerWaalsContact O-N 3.15Å
913	Y	96.7	Very high	95.5	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	14%	0.142	C	C	.	.	I	π-helix	trans	-76.5	-41.5	-172.3	-68.8	-18.1	0	0	0	114.2	W774 K778 K909 F910 F960	W774-Y913 HydrophobicContact CH2-CD2 4.01Å; W774-Y913 AromaticContact CH2-CG 3.95Å; W774-Y913 HydrophobicContact CH2-CG 3.95Å; W774-Y913 HydrophobicContact CZ2-CD1 4.4Å; W774-Y913 HydrophobicContact CZ2-CG 4.22Å; K778-Y913 HydrophobicContact CD-CE1 3.97Å; K778-Y913 HydrophobicContact CD-CE2 4.12Å; K909-Y913 HydrophobicContact CB-CD2 4.44Å; K909-Y913 HydrophobicContact CB-CE2 4.18Å; K909-Y913 HydrophobicContact CD-CE1 4.41Å; K909-Y913 HydrophobicContact CD-CE2 4.29Å; K909-Y913 VanDerWaalsContact O-CB 3.29Å; K909-Y913 WeakPolarHBondContact O-CB 3.21Å; K909-Y913 WeakPolarHBondContact O-CD2 3.33Å; K909-Y913 VanDerWaalsContact O-CG 3.25Å; K909-Y913 PolarHBondContact O-N 3.32Å; F910-Y913 PolarHBondContact O-N 3.29Å; Y913-F960 HydrophobicContact CD2-CE2 4.45Å; Y913-F960 AromaticContact CD2-CZ 4Å; Y913-F960 HydrophobicContact CD2-CZ 4Å; Y913-F960 HydrophobicContact CE2-CZ 4.44Å
914	F	97.4	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-108.7	-8.2	-169.8	-49.1	-63.2	0	0	0	113.4	W774 F910 I948 F960 A1135 L1138 R1139	W774-F914 HydrophobicContact CH2-CE1 4.03Å; W774-F914 HydrophobicContact CH2-CZ 4.32Å; W774-F914 HydrophobicContact CZ3-CE1 4.08Å; W774-F914 HydrophobicContact CZ3-CZ 4.38Å; F910-F914 HydrophobicContact CB-CD2 4.46Å; F910-F914 HydrophobicContact CD1-CD2 4.42Å; F910-F914 AromaticContact CD2-CD2 3.74Å; F910-F914 HydrophobicContact CD2-CD2 3.74Å; F910-F914 HydrophobicContact CD2-CE2 4.09Å; F910-F914 HydrophobicContact CE2-CD2 4Å; F910-F914 AromaticContact CG-CD2 3.97Å; F910-F914 HydrophobicContact CG-CD2 3.97Å; F910-F914 HydrophobicContact CZ-CD2 4.43Å; F910-F914 WeakPolarHBondContact O-CD2 3.47Å; F910-F914 PolarHBondContact O-N 2.99Å; F914-I948 HydrophobicContact CB-CB 4.12Å; F914-I948 HydrophobicContact CB-CD1 4.28Å; F914-I948 HydrophobicContact CB-CG1 4.45Å; F914-I948 PolarHBondContact O-N 2.94Å; F914-F960 HydrophobicContact CE2-CD1 4.28Å; F914-F960 AromaticContact CE2-CD2 3.83Å; F914-F960 HydrophobicContact CE2-CD2 3.83Å; F914-F960 HydrophobicContact CE2-CE1 4.06Å; F914-F960 AromaticContact CE2-CE2 3.56Å; F914-F960 HydrophobicContact CE2-CE2 3.56Å; F914-F960 HydrophobicContact CE2-CG 4.18Å; F914-F960 AromaticContact CE2-CZ 3.69Å; F914-F960 HydrophobicContact CE2-CZ 3.69Å; F914-F960 HydrophobicContact CZ-CD2 4.04Å; F914-F960 AromaticContact CZ-CE2 3.72Å; F914-F960 HydrophobicContact CZ-CE2 3.72Å; F914-F960 HydrophobicContact CZ-CZ 4.24Å; F914-A1135 HydrophobicContact CZ-CB 4.35Å; F914-L1138 HydrophobicContact CD1-CB 3.64Å; F914-L1138 HydrophobicContact CD2-CB 4.15Å; F914-L1138 HydrophobicContact CD2-CD1 3.88Å; F914-L1138 HydrophobicContact CD2-CG 4.49Å; F914-L1138 HydrophobicContact CE1-CB 3.41Å; F914-L1138 VanDerWaalsContact CE1-CB 3.41Å; F914-L1138 HydrophobicContact CE1-CD1 4.44Å; F914-L1138 HydrophobicContact CE2-CB 3.96Å; F914-L1138 HydrophobicContact CE2-CD1 3.44Å; F914-L1138 VanDerWaalsContact CE2-CD1 3.44Å; F914-L1138 HydrophobicContact CE2-CG 4.29Å; F914-L1138 HydrophobicContact CG-CB 4.01Å; F914-L1138 HydrophobicContact CZ-CB 3.59Å; F914-L1138 HydrophobicContact CZ-CD1 3.77Å; F914-L1138 HydrophobicContact CZ-CG 4.32Å; F914-R1139 HydrophobicContact CE1-CB 4.25Å
915	N	97.1	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-119.3	-64.5	177.5	-167.5	-72	0	0	0	112.3	Q911 K917 A918 R919 I948 E949	Q911-N915 VanDerWaalsContact NE2-CG 3.27Å; Q911-N915 PolarHBondContact NE2-OD1 3.39Å; Q911-N915 WeakPolarHBondContact O-CA 3.44Å; Q911-N915 WeakPolarHBondContact O-CB 3.44Å; Q911-N915 PolarHBondContact O-N 2.95Å; N915-K917 VanDerWaalsContact C-N 3.33Å; N915-K917 PolarHBondContact O-N 3.43Å; N915-A918 PolarHBondContact O-N 3.28Å; N915-R919 PolarHBondContact O-N 2.86Å; N915-R919 WeakPolarHBondContact OD1-CD 3.11Å; N915-R919 PolarHBondContact OD1-NE 3.48Å; N915-R919 PolarHBondContact OD1-NH1 3.39Å; N915-I948 WeakPolarHBondContact CB-O 3.4Å; N915-I948 PolarHBondContact ND2-O 3.47Å; N915-E949 VanDerWaalsContact ND2-CD 3.32Å; N915-E949 PolarHBondContact ND2-OE1 2.79Å
916	H	96.2	Very high	95.2	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.093	16%	0.161	C	C	.	.	I	π-helix	trans	-63.4	-38.1	-174	-67.2	-171.8	0	0	0	112.5	Q911 R919 Q920 P1021 F1023	Q911-H916 WeakPolarHBondContact CG-NE2 3.21Å; Q911-H916 PolarHBondContact O-N 2.79Å; H916-R919 PolarHBondContact O-N 3.41Å; H916-Q920 VanDerWaalsContact O-CB 3.31Å; H916-Q920 WeakPolarHBondContact O-CB 3.3Å; H916-Q920 PolarHBondContact O-N 3.35Å; H916-P1021 PolarHBondContact CE1-O 2.79Å; H916-P1021 PolarHBondContact NE2-O 3.31Å; H916-F1023 HydrophobicContact CB-CD2 3.79Å; H916-F1023 HydrophobicContact CB-CE2 4.4Å; H916-F1023 AromaticContact CG-CD2 3.87Å; H916-F1023 WeakPolarHBondContact O-CE2 3.09Å
917	K	93.8	Very high	94.9	Very high	63 Å²	63	38.6 Å²	38.6	27%	0.274	19%	0.188	S	C	.	.	H	α-helix	trans	-64.6	-41.7	176.1	-81.3	-174	178.1	-172.3	0	113.1	H912 N915 Q920 L921	H912-K917 WeakPolarHBondContact O-CG 3.44Å; H912-K917 PolarHBondContact O-N 3.11Å; H912-K917 VanDerWaalsContact O-N 3.15Å; N915-K917 VanDerWaalsContact C-N 3.33Å; N915-K917 PolarHBondContact O-N 3.43Å; K917-Q920 PolarHBondContact O-N 2.89Å; K917-L921 WeakPolarHBondContact O-CB 3.22Å; K917-L921 PolarHBondContact O-N 3.15Å
918	A	94.6	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-47.4	174.7	0	0	0	0	0	110.8	N915 Q920 L921 L922 P945 M1142	N915-A918 PolarHBondContact O-N 3.28Å; A918-Q920 PolarHBondContact O-N 2.92Å; A918-L921 PolarHBondContact O-N 3.14Å; A918-L922 WeakPolarHBondContact O-CG 3.42Å; A918-L922 PolarHBondContact O-N 2.96Å; A918-P945 HydrophobicContact CB-CB 3.87Å; A918-P945 HydrophobicContact CB-CG 4.19Å; A918-M1142 HydrophobicContact CB-CG 4.18Å; A918-M1142 HydrophobicContact CB-SD 3.93Å
919	R	95.6	Very high	94.5	Very high	87 Å²	87	42.4 Å²	42.4	33%	0.328	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-42.8	177.2	-69.1	-178.8	170.3	154.7	0.8	112.6	N915 H916 L921 L922 H923 E949 F1023	N915-R919 PolarHBondContact O-N 2.86Å; N915-R919 WeakPolarHBondContact OD1-CD 3.11Å; N915-R919 PolarHBondContact OD1-NE 3.48Å; N915-R919 PolarHBondContact OD1-NH1 3.39Å; H916-R919 PolarHBondContact O-N 3.41Å; R919-L921 VanDerWaalsContact C-N 3.34Å; R919-L921 PolarHBondContact O-N 3.23Å; R919-L922 PolarHBondContact O-N 3.44Å; R919-H923 VanDerWaalsContact O-CB 3.26Å; R919-H923 WeakPolarHBondContact O-CB 3.36Å; R919-H923 PolarHBondContact O-N 2.82Å; R919-E949 IonicContact CZ-OE1 2.88Å; R919-E949 IonicContact NH1-OE1 3.73Å; R919-E949 IonicContact NH2-OE1 3.67Å; R919-E949 PolarHBondContact NH2-OE1 2.9Å; R919-F1023 HydrophobicContact CB-CD1 3.93Å; R919-F1023 HydrophobicContact CB-CD2 4.23Å; R919-F1023 HydrophobicContact CB-CE1 3.66Å; R919-F1023 HydrophobicContact CB-CE2 4Å; R919-F1023 HydrophobicContact CB-CG 4.2Å; R919-F1023 HydrophobicContact CB-CZ 3.7Å
920	Q	94.4	Very high	94.1	Very high	28 Å²	28	47.8 Å²	47.8	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-39.5	175.7	-179.5	62.1	65.4	0	0	111.9	H916 K917 A918 H923 S924 F1023 S1026	H916-Q920 VanDerWaalsContact O-CB 3.31Å; H916-Q920 WeakPolarHBondContact O-CB 3.3Å; H916-Q920 PolarHBondContact O-N 3.35Å; K917-Q920 PolarHBondContact O-N 2.89Å; A918-Q920 PolarHBondContact O-N 2.92Å; Q920-H923 PolarHBondContact O-N 3.14Å; Q920-S924 PolarHBondContact NE2-OG 3.18Å; Q920-S924 VanDerWaalsContact NE2-OG 3.11Å; Q920-S924 WeakPolarHBondContact O-CB 3.26Å; Q920-S924 PolarHBondContact O-N 3.25Å; Q920-S924 PolarHBondContact O-OG 2.98Å; Q920-F1023 HydrophobicContact CB-CE2 4.03Å; Q920-F1023 HydrophobicContact CB-CZ 4.22Å; Q920-S1026 PolarHBondContact NE2-O 2.96Å; Q920-S1026 PolarHBondContact OE1-OG 3.08Å
921	L	93.4	Very high	93.5	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-44.3	179.9	-166.4	62.9	0	0	0	111.3	F764 K917 A918 R919 H923 S924 F925 W938 P945 I1030 Y1143	F764-L921 HydrophobicContact CD1-CD2 4.29Å; F764-L921 HydrophobicContact CE1-CD1 3.94Å; F764-L921 HydrophobicContact CE1-CD2 3.96Å; F764-L921 HydrophobicContact CE1-CG 4.34Å; F764-L921 HydrophobicContact CZ-CD1 4.08Å; K917-L921 WeakPolarHBondContact O-CB 3.22Å; K917-L921 PolarHBondContact O-N 3.15Å; A918-L921 PolarHBondContact O-N 3.14Å; R919-L921 VanDerWaalsContact C-N 3.34Å; R919-L921 PolarHBondContact O-N 3.23Å; L921-H923 VanDerWaalsContact C-N 3.32Å; L921-H923 PolarHBondContact O-N 3.09Å; L921-S924 PolarHBondContact O-N 3.4Å; L921-F925 HydrophobicContact CD1-CD2 3.87Å; L921-F925 HydrophobicContact CD1-CE2 4.09Å; L921-F925 PolarHBondContact O-N 3.07Å; L921-W938 HydrophobicContact CD2-CH2 3.74Å; L921-W938 HydrophobicContact CG-CH2 3.85Å; L921-W938 HydrophobicContact CG-CZ2 4.27Å; L921-P945 HydrophobicContact CB-CG 4.16Å; L921-P945 HydrophobicContact CD2-CG 3.92Å; L921-P945 HydrophobicContact CG-CG 4.4Å; L921-I1030 HydrophobicContact CD1-CD1 3.72Å; L921-I1030 HydrophobicContact CD1-CG2 4.05Å; L921-Y1143 HydrophobicContact CD2-CE1 4.45Å; L921-Y1143 WeakPolarHBondContact CD2-OH 3.27Å
922	L	94.2	Very high	92.9	Very high	56 Å²	56	57.4 Å²	57.4	29%	0.293	30%	0.297	S	S	.	.	H	α-helix	trans	-67.3	-29.6	174.4	-68.4	174.8	0	0	0	113.4	A918 R919 F925 P926 W938 P944 P945	A918-L922 WeakPolarHBondContact O-CG 3.42Å; A918-L922 PolarHBondContact O-N 2.96Å; R919-L922 PolarHBondContact O-N 3.44Å; L922-F925 CarbonylContact O-C 3.44Å; L922-F925 VanDerWaalsContact O-C 3.27Å; L922-P926 VanDerWaalsContact O-CA 3.26Å; L922-P926 WeakPolarHBondContact O-CA 3.45Å; L922-P926 VanDerWaalsContact O-N 3.1Å; L922-W938 HydrophobicContact CD2-CZ2 4.4Å; L922-P944 HydrophobicContact CD2-CB 4.39Å; L922-P945 WeakPolarHBondContact CD1-O 3.39Å; L922-P945 HydrophobicContact CD2-CG 4.3Å; L922-P945 HydrophobicContact CG-CG 4.07Å
923	H	93	Very high	92.3	Very high	93 Å²	93	59.1 Å²	59.1	43%	0.431	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-39.1	171.8	177.5	-79.4	0	0	0	111.6	R919 Q920 L921	R919-H923 VanDerWaalsContact O-CB 3.26Å; R919-H923 WeakPolarHBondContact O-CB 3.36Å; R919-H923 PolarHBondContact O-N 2.82Å; Q920-H923 PolarHBondContact O-N 3.14Å; L921-H923 VanDerWaalsContact C-N 3.32Å; L921-H923 PolarHBondContact O-N 3.09Å
924	S	92.1	Very high	91.6	Very high	39 Å²	39	61 Å²	61	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-77.6	-34.1	-178.7	-47	0	0	0	0	111.8	Q920 L921 I1030	Q920-S924 PolarHBondContact NE2-OG 3.18Å; Q920-S924 VanDerWaalsContact NE2-OG 3.11Å; Q920-S924 WeakPolarHBondContact O-CB 3.26Å; Q920-S924 PolarHBondContact O-N 3.25Å; Q920-S924 PolarHBondContact O-OG 2.98Å; L921-S924 PolarHBondContact O-N 3.4Å; S924-I1030 WeakPolarHBondContact OG-CD1 3.44Å
925	F	91.9	Very high	90.8	Very high	35 Å²	35	62.1 Å²	62.1	15%	0.154	34%	0.338	C	S	.	.	S	Bend	trans	-132	84.5	176.1	-51.2	-74.4	0	0	0	109.2	F764 L921 L922 T929 F937 W938 I1030 T1032	F764-F925 HydrophobicContact CZ-CE2 4.35Å; L921-F925 HydrophobicContact CD1-CD2 3.87Å; L921-F925 HydrophobicContact CD1-CE2 4.09Å; L921-F925 PolarHBondContact O-N 3.07Å; L922-F925 CarbonylContact O-C 3.44Å; L922-F925 VanDerWaalsContact O-C 3.27Å; F925-T929 VanDerWaalsContact C-OG1 3.31Å; F925-F937 HydrophobicContact CB-CD1 3.88Å; F925-F937 HydrophobicContact CB-CE1 3.7Å; F925-F937 HydrophobicContact CB-CZ 4.28Å; F925-F937 HydrophobicContact CD1-CD1 4.5Å; F925-F937 HydrophobicContact CD1-CD2 4.34Å; F925-F937 HydrophobicContact CD1-CE1 4.17Å; F925-F937 HydrophobicContact CD1-CE2 4Å; F925-F937 AromaticContact CD1-CZ 3.91Å; F925-F937 HydrophobicContact CD1-CZ 3.91Å; F925-F937 HydrophobicContact CD2-CE1 4.03Å; F925-F937 AromaticContact CD2-CZ 3.92Å; F925-F937 HydrophobicContact CD2-CZ 3.92Å; F925-F937 HydrophobicContact CE1-CE2 4.14Å; F925-F937 HydrophobicContact CE1-CZ 4.21Å; F925-F937 HydrophobicContact CE2-CZ 4.22Å; F925-F937 HydrophobicContact CG-CD1 4.22Å; F925-F937 AromaticContact CG-CE1 3.7Å; F925-F937 HydrophobicContact CG-CE1 3.7Å; F925-F937 HydrophobicContact CG-CE2 4.32Å; F925-F937 AromaticContact CG-CZ 3.76Å; F925-F937 HydrophobicContact CG-CZ 3.76Å; F925-F937 HydrophobicContact CZ-CZ 4.36Å; F925-W938 HydrophobicContact CB-CZ2 3.95Å; F925-W938 PolarHBondContact O-NE1 3.38Å; F925-I1030 HydrophobicContact CE2-CB 3.94Å; F925-I1030 HydrophobicContact CE2-CD1 4.35Å; F925-I1030 HydrophobicContact CE2-CG2 4.05Å; F925-I1030 HydrophobicContact CZ-CB 4.35Å; F925-T1032 HydrophobicContact CE1-CG2 3.92Å; F925-T1032 HydrophobicContact CE2-CG2 4.08Å; F925-T1032 HydrophobicContact CZ-CG2 3.38Å
926	P	93.1	Very high	90.3	Very high	57 Å²	57	65.2 Å²	65.2	37%	0.37	36%	0.358	S	S	.	.			trans	-47.8	154.2	171.8	-30.6	37.4	0	0	0	112.9	L922 D928 T929 W938	L922-P926 VanDerWaalsContact O-CA 3.26Å; L922-P926 WeakPolarHBondContact O-CA 3.45Å; L922-P926 VanDerWaalsContact O-N 3.1Å; P926-D928 WeakPolarHBondContact CB-OD1 3.49Å; P926-D928 PolarHBondContact O-N 3.33Å; P926-T929 VanDerWaalsContact CD-OG1 3.28Å; P926-T929 WeakPolarHBondContact CD-OG1 3.43Å; P926-T929 VanDerWaalsContact N-OG1 3.08Å; P926-T929 VanDerWaalsContact O-CB 3.24Å; P926-T929 WeakPolarHBondContact O-CB 3.44Å; P926-T929 PolarHBondContact O-N 3.45Å; P926-T929 PolarHBondContact O-OG1 2.97Å; P926-W938 PolarHBondContact O-NE1 3.04Å
927	I	91.4	Very high	89.9	Confident	110 Å²	110	64.8 Å²	64.8	56%	0.564	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.3	-172.4	-164.7	60	0	0	0	113.4	W938 P944	I927-W938 HydrophobicContact CD1-CB 4.48Å; I927-W938 HydrophobicContact CD1-CG 4.23Å; I927-P944 HydrophobicContact CD1-CB 3.45Å; I927-P944 VanDerWaalsContact CD1-CB 3.45Å; I927-P944 HydrophobicContact CD1-CG 3.7Å
928	D	91.3	Very high	89.7	Confident	121 Å²	121	62.7 Å²	62.7	65%	0.647	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	7.1	-179.7	60.7	-34.4	0	0	0	113.8	P926 K930	P926-D928 WeakPolarHBondContact CB-OD1 3.49Å; P926-D928 PolarHBondContact O-N 3.33Å; D928-K930 PolarHBondContact O-N 3.5Å
929	T	91.2	Very high	89.1	Confident	36 Å²	36	65.4 Å²	65.4	22%	0.221	36%	0.359	C	S	.	.			trans	-57.4	132.4	175.6	-56.5	0	0	0	0	110.5	F925 P926 F937	F925-T929 VanDerWaalsContact C-OG1 3.31Å; P926-T929 VanDerWaalsContact CD-OG1 3.28Å; P926-T929 WeakPolarHBondContact CD-OG1 3.43Å; P926-T929 VanDerWaalsContact N-OG1 3.08Å; P926-T929 VanDerWaalsContact O-CB 3.24Å; P926-T929 WeakPolarHBondContact O-CB 3.44Å; P926-T929 PolarHBondContact O-N 3.45Å; P926-T929 PolarHBondContact O-OG1 2.97Å; T929-F937 HydrophobicContact CG2-CB 3.8Å; T929-F937 HydrophobicContact CG2-CG 4.25Å; T929-F937 WeakPolarHBondContact O-CB 3.32Å; T929-F937 PolarHBondContact O-N 3.29Å
930	K	89	Confident	88.3	Confident	152 Å²	152	62.7 Å²	62.7	66%	0.661	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-114.6	147.7	176.4	-63.1	-177.3	-179.7	-176.7	0	111	D928 S935	D928-K930 PolarHBondContact O-N 3.5Å; K930-S935 CarbonylContact C-O 3.59Å; K930-S935 WeakPolarHBondContact CA-O 3.17Å
931	L	85	Confident	87.6	Confident	71 Å²	71	63.4 Å²	63.4	37%	0.372	36%	0.357	S	S	.	.			trans	-76.9	172.6	171	-61.1	-179.1	0	0	0	111	D933 G934 S935 F937	L931-D933 WeakPolarHBondContact CB-OD1 3.28Å; L931-D933 PolarHBondContact O-N 3.24Å; L931-G934 PolarHBondContact O-N 3.46Å; L931-S935 PolarHBondContact N-O 2.83Å; L931-F937 HydrophobicContact CD2-CB 4.33Å; L931-F937 HydrophobicContact CD2-CD2 3.84Å
932	S	84.2	Confident	87.4	Confident	140 Å²	140	66 Å²	66	98%	0.979	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.3	-178.9	50.8	0	0	0	0	114	G934	S932-G934 VanDerWaalsContact C-N 3.29Å
933	D	82.3	Confident	87.2	Confident	120 Å²	120	64.6 Å²	64.6	64%	0.642	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.6	175.3	67.2	-1.6	0	0	0	113.3	L931 S935	L931-D933 WeakPolarHBondContact CB-OD1 3.28Å; L931-D933 PolarHBondContact O-N 3.24Å; D933-S935 VanDerWaalsContact OD1-CB 3.31Å; D933-S935 WeakPolarHBondContact OD1-CB 3.05Å; D933-S935 PolarHBondContact OD1-N 3.02Å; D933-S935 PolarHBondContact OD1-OG 3.12Å; D933-S935 PolarHBondContact OD2-OG 3.17Å
934	G	82.4	Confident	87.2	Confident	45 Å²	45	62.5 Å²	62.5	46%	0.464	35%	0.354	S	S	.	.	S	Bend	trans	86.2	-5.2	-178.2	0	0	0	0	0	115.2	L931 S932	L931-G934 PolarHBondContact O-N 3.46Å; S932-G934 VanDerWaalsContact C-N 3.29Å
935	S	81.1	Confident	87.3	Confident	24 Å²	24	60.9 Å²	60.9	17%	0.168	34%	0.342	C	S	.	.			trans	-70.6	150.9	175.7	68.4	0	0	0	0	111.6	K930 L931 D933 Q939	K930-S935 CarbonylContact C-O 3.59Å; K930-S935 WeakPolarHBondContact CA-O 3.17Å; L931-S935 PolarHBondContact N-O 2.83Å; D933-S935 VanDerWaalsContact OD1-CB 3.31Å; D933-S935 WeakPolarHBondContact OD1-CB 3.05Å; D933-S935 PolarHBondContact OD1-N 3.02Å; D933-S935 PolarHBondContact OD1-OG 3.12Å; D933-S935 PolarHBondContact OD2-OG 3.17Å; S935-Q939 PolarHBondContact OG-NE2 2.91Å
936	P	85.4	Confident	87.5	Confident	65 Å²	65	65.5 Å²	65.5	42%	0.422	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-62.1	136.4	176.9	-21.5	33.3	0	0	0	112	W938 Q939	P936-W938 VanDerWaalsContact C-N 3.28Å; P936-W938 PolarHBondContact O-N 3.44Å; P936-Q939 WeakPolarHBondContact O-CG 3.39Å; P936-Q939 PolarHBondContact O-NE2 3.28Å
937	F	89.2	Confident	87.6	Confident	11 Å²	11	65 Å²	65	5%	0.048	36%	0.36	C	S	.	.	S	Bend	trans	-61.1	-41	171.7	174.1	-92.4	0	0	0	111.3	F764 F925 T929 L931 Q939 K942 T1032	F764-F937 AromaticContact CE1-CE1 3.98Å; F764-F937 HydrophobicContact CE1-CE1 3.98Å; F764-F937 AromaticContact CE1-CZ 3.81Å; F764-F937 HydrophobicContact CE1-CZ 3.81Å; F764-F937 HydrophobicContact CZ-CE1 4.38Å; F764-F937 AromaticContact CZ-CZ 3.77Å; F764-F937 HydrophobicContact CZ-CZ 3.77Å; F925-F937 HydrophobicContact CB-CD1 3.88Å; F925-F937 HydrophobicContact CB-CE1 3.7Å; F925-F937 HydrophobicContact CB-CZ 4.28Å; F925-F937 HydrophobicContact CD1-CD1 4.5Å; F925-F937 HydrophobicContact CD1-CD2 4.34Å; F925-F937 HydrophobicContact CD1-CE1 4.17Å; F925-F937 HydrophobicContact CD1-CE2 4Å; F925-F937 AromaticContact CD1-CZ 3.91Å; F925-F937 HydrophobicContact CD1-CZ 3.91Å; F925-F937 HydrophobicContact CD2-CE1 4.03Å; F925-F937 AromaticContact CD2-CZ 3.92Å; F925-F937 HydrophobicContact CD2-CZ 3.92Å; F925-F937 HydrophobicContact CE1-CE2 4.14Å; F925-F937 HydrophobicContact CE1-CZ 4.21Å; F925-F937 HydrophobicContact CE2-CZ 4.22Å; F925-F937 HydrophobicContact CG-CD1 4.22Å; F925-F937 AromaticContact CG-CE1 3.7Å; F925-F937 HydrophobicContact CG-CE1 3.7Å; F925-F937 HydrophobicContact CG-CE2 4.32Å; F925-F937 AromaticContact CG-CZ 3.76Å; F925-F937 HydrophobicContact CG-CZ 3.76Å; F925-F937 HydrophobicContact CZ-CZ 4.36Å; T929-F937 HydrophobicContact CG2-CB 3.8Å; T929-F937 HydrophobicContact CG2-CG 4.25Å; T929-F937 WeakPolarHBondContact O-CB 3.32Å; T929-F937 PolarHBondContact O-N 3.29Å; L931-F937 HydrophobicContact CD2-CB 4.33Å; L931-F937 HydrophobicContact CD2-CD2 3.84Å; F937-Q939 VanDerWaalsContact C-N 3.3Å; F937-Q939 PolarHBondContact O-N 3.04Å; F937-Q939 VanDerWaalsContact O-N 3.13Å; F937-K942 HydrophobicContact CE1-CD 4.41Å; F937-K942 HydrophobicContact CE2-CD 4.43Å; F937-K942 HydrophobicContact CZ-CD 4.13Å; F937-T1032 HydrophobicContact CE2-CG2 4.04Å; F937-T1032 HydrophobicContact CZ-CG2 4.27Å
938	W	88.7	Confident	87.9	Confident	19 Å²	19	60.7 Å²	60.7	7%	0.072	34%	0.338	C	S	.	.	S	Bend	trans	-86	68.8	176.6	-63.2	113.3	0	0	0	111.3	F764 L921 L922 F925 P926 I927 P936 K942 R943 P944	F764-W938 HydrophobicContact CD1-CH2 4.21Å; F764-W938 AromaticContact CD1-CZ3 3.94Å; F764-W938 HydrophobicContact CD1-CZ3 3.94Å; F764-W938 AromaticContact CE1-CH2 3.85Å; F764-W938 HydrophobicContact CE1-CH2 3.85Å; F764-W938 AromaticContact CE1-CZ3 3.97Å; F764-W938 HydrophobicContact CE1-CZ3 3.97Å; L921-W938 HydrophobicContact CD2-CH2 3.74Å; L921-W938 HydrophobicContact CG-CH2 3.85Å; L921-W938 HydrophobicContact CG-CZ2 4.27Å; L922-W938 HydrophobicContact CD2-CZ2 4.4Å; F925-W938 HydrophobicContact CB-CZ2 3.95Å; F925-W938 PolarHBondContact O-NE1 3.38Å; P926-W938 PolarHBondContact O-NE1 3.04Å; I927-W938 HydrophobicContact CD1-CB 4.48Å; I927-W938 HydrophobicContact CD1-CG 4.23Å; P936-W938 VanDerWaalsContact C-N 3.28Å; P936-W938 PolarHBondContact O-N 3.44Å; W938-K942 HydrophobicContact CE3-CB 4.27Å; W938-R943 WeakPolarHBondContact CZ3-O 3.44Å; W938-P944 HydrophobicContact CD2-CB 3.88Å; W938-P944 HydrophobicContact CE3-CB 4.06Å; W938-P944 HydrophobicContact CG-CB 4.14Å
939	Q	82.5	Confident	88.1	Confident	58 Å²	58	59.8 Å²	59.8	27%	0.271	33%	0.33	S	S	.	.			trans	-126.1	160.7	171.3	69.8	-170.6	-5.2	0	0	110.1	S935 P936 F937 K942	S935-Q939 PolarHBondContact OG-NE2 2.91Å; P936-Q939 WeakPolarHBondContact O-CG 3.39Å; P936-Q939 PolarHBondContact O-NE2 3.28Å; F937-Q939 VanDerWaalsContact C-N 3.3Å; F937-Q939 PolarHBondContact O-N 3.04Å; F937-Q939 VanDerWaalsContact O-N 3.13Å; Q939-K942 WeakPolarHBondContact O-CA 3.16Å; Q939-K942 WeakPolarHBondContact O-CB 3.26Å; Q939-K942 PolarHBondContact O-N 2.96Å
940	F	78.5	Confident	88.3	Confident	29 Å²	29	59.6 Å²	59.6	13%	0.127	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.9	-175.9	-83.7	-93.7	0	0	0	111.5	F197 E231	F197-F940 AromaticContact CD1-CD1 3.65Å; F197-F940 HydrophobicContact CD1-CD1 3.65Å; F197-F940 HydrophobicContact CD1-CE1 4.28Å; F197-F940 AromaticContact CE1-CD1 3.6Å; F197-F940 HydrophobicContact CE1-CD1 3.6Å; F197-F940 AromaticContact CE1-CE1 3.93Å; F197-F940 HydrophobicContact CE1-CE1 3.93Å; E231-F940 HydrophobicContact CB-CZ 4.45Å; E231-F940 WeakPolarHBondContact OE2-CE1 3.33Å; E231-F940 WeakPolarHBondContact OE2-CZ 3.44Å
941	P	80.2	Confident	88.5	Confident	44 Å²	44	54.4 Å²	54.4	29%	0.286	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.7	4.2	12.3	39.5	-36.3	0	0	0	114.2	F197 L214 T766 R943	F197-P941 HydrophobicContact CD2-CB 4.09Å; F197-P941 HydrophobicContact CE2-CB 4.04Å; F197-P941 HydrophobicContact CG-CB 4.36Å; F197-P941 HydrophobicContact CZ-CB 4.27Å; L214-P941 HydrophobicContact CD2-CG 4.44Å; T766-P941 HydrophobicContact CG2-CB 3.67Å; T766-P941 HydrophobicContact CG2-CG 4.13Å; T766-P941 WeakPolarHBondContact CG2-O 3.16Å; P941-R943 PolarHBondContact O-N 2.85Å
942	K	88.7	Confident	88.8	Confident	60 Å²	60	52.7 Å²	52.7	26%	0.261	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-81.5	116.6	-178.2	-60.8	-170.9	179	88.6	0	111.4	F764 F937 W938 Q939	F764-K942 HydrophobicContact CB-CG 4.28Å; F764-K942 HydrophobicContact CD1-CD 4.21Å; F764-K942 HydrophobicContact CD1-CG 4.43Å; F764-K942 HydrophobicContact CG-CD 4.24Å; F764-K942 HydrophobicContact CG-CG 4.33Å; F937-K942 HydrophobicContact CE1-CD 4.41Å; F937-K942 HydrophobicContact CE2-CD 4.43Å; F937-K942 HydrophobicContact CZ-CD 4.13Å; W938-K942 HydrophobicContact CE3-CB 4.27Å; Q939-K942 WeakPolarHBondContact O-CA 3.16Å; Q939-K942 WeakPolarHBondContact O-CB 3.26Å; Q939-K942 PolarHBondContact O-N 2.96Å
943	R	89.5	Confident	89.1	Confident	28 Å²	28	50.5 Å²	50.5	11%	0.106	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-99.3	136	175.6	-60.9	-179.5	-175.7	-111.6	2.5	111.3	E231 W938 P941 Y1143	E231-R943 VanDerWaalsContact CD-NH1 3.32Å; E231-R943 IonicContact OE1-CZ 3.55Å; E231-R943 IonicContact OE1-NH1 3.39Å; E231-R943 PolarHBondContact OE1-NH1 3.28Å; E231-R943 IonicContact OE1-NH2 3.91Å; E231-R943 PolarHBondContact OE1-NH2 3.21Å; E231-R943 IonicContact OE2-CZ 2.69Å; E231-R943 IonicContact OE2-NH1 2.66Å; E231-R943 PolarHBondContact OE2-NH1 3.05Å; E231-R943 IonicContact OE2-NH2 3.05Å; E231-R943 PolarHBondContact OE2-NH2 3.02Å; W938-R943 WeakPolarHBondContact CZ3-O 3.44Å; P941-R943 PolarHBondContact O-N 2.85Å; R943-Y1143 HydrophobicContact CB-CD1 4.38Å; R943-Y1143 WeakPolarHBondContact CD-O 3.49Å; R943-Y1143 VanDerWaalsContact O-CD1 3.31Å; R943-Y1143 WeakPolarHBondContact O-CD1 3.5Å
944	P	92.8	Very high	89.6	Confident	49 Å²	49	47.5 Å²	47.5	32%	0.318	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-67.6	131.7	174.1	27.7	-33.2	0	0	0	110.3	L922 I927 W938	L922-P944 HydrophobicContact CD2-CB 4.39Å; I927-P944 HydrophobicContact CD1-CB 3.45Å; I927-P944 VanDerWaalsContact CD1-CB 3.45Å; I927-P944 HydrophobicContact CD1-CG 3.7Å; W938-P944 HydrophobicContact CD2-CB 3.88Å; W938-P944 HydrophobicContact CE3-CB 4.06Å; W938-P944 HydrophobicContact CG-CB 4.14Å
945	P	95.6	Very high	90.1	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.026	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-74.3	155.9	179.5	33	-38	0	0	0	111.7	A918 L921 L922 M1142 Y1143	A918-P945 HydrophobicContact CB-CB 3.87Å; A918-P945 HydrophobicContact CB-CG 4.19Å; L921-P945 HydrophobicContact CB-CG 4.16Å; L921-P945 HydrophobicContact CD2-CG 3.92Å; L921-P945 HydrophobicContact CG-CG 4.4Å; L922-P945 WeakPolarHBondContact CD1-O 3.39Å; L922-P945 HydrophobicContact CD2-CG 4.3Å; L922-P945 HydrophobicContact CG-CG 4.07Å; P945-M1142 CarbonylContact C-O 3.55Å; P945-M1142 VanDerWaalsContact CA-O 3.27Å; P945-M1142 WeakPolarHBondContact CA-O 3.46Å; P945-M1142 HydrophobicContact CB-CG 4.14Å; P945-Y1143 HydrophobicContact CB-CD1 4.14Å; P945-Y1143 HydrophobicContact CB-CE1 3.64Å; P945-Y1143 HydrophobicContact CG-CE1 4.23Å
946	K	95.3	Very high	90.6	Very high	132 Å²	132	49 Å²	49	57%	0.574	26%	0.262	S	S	*	.			trans	-117.5	124.7	171.3	-67.4	175.7	-177.7	162.6	0	109.3	I948 M1142 S1144	K946-I948 PolarHBondContact O-N 3.26Å; K946-M1142 PolarHBondContact N-O 3.47Å; K946-M1142 VanDerWaalsContact O-CG 3.26Å; K946-M1142 WeakPolarHBondContact O-CG 3.46Å; K946-S1144 PolarHBondContact NZ-OG 3.01Å
947	S	95.8	Very high	91.1	Very high	47 Å²	47	46.6 Å²	46.6	33%	0.329	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-64.4	129.6	176.7	57.7	0	0	0	0	111
948	I	96.7	Very high	91.3	Very high	19 Å²	19	46 Å²	46	10%	0.097	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-92.2	126.5	176.7	-57.3	-178.4	0	0	0	108.9	F910 F914 N915 K946 L1138 T1141 M1142	F910-I948 HydrophobicContact CE1-CG2 4.3Å; F910-I948 HydrophobicContact CZ-CG2 3.86Å; F914-I948 HydrophobicContact CB-CB 4.12Å; F914-I948 HydrophobicContact CB-CD1 4.28Å; F914-I948 HydrophobicContact CB-CG1 4.45Å; F914-I948 PolarHBondContact O-N 2.94Å; N915-I948 WeakPolarHBondContact CB-O 3.4Å; N915-I948 PolarHBondContact ND2-O 3.47Å; K946-I948 PolarHBondContact O-N 3.26Å; I948-L1138 HydrophobicContact CD1-CD2 4.27Å; I948-L1138 WeakPolarHBondContact CD1-O 3.26Å; I948-T1141 HydrophobicContact CD1-CG2 4.14Å; I948-M1142 HydrophobicContact CD1-CB 4.11Å; I948-M1142 HydrophobicContact CG1-CB 4.47Å
949	E	95.8	Very high	91.4	Very high	102 Å²	102	46.1 Å²	46.1	48%	0.477	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-88.3	136.1	169.1	-65.7	-59.3	153.7	0	0	109.2	N915 R919 H957	N915-E949 VanDerWaalsContact ND2-CD 3.32Å; N915-E949 PolarHBondContact ND2-OE1 2.79Å; R919-E949 IonicContact CZ-OE1 2.88Å; R919-E949 IonicContact NH1-OE1 3.73Å; R919-E949 IonicContact NH2-OE1 3.67Å; R919-E949 PolarHBondContact NH2-OE1 2.9Å; E949-H957 PolarHBondContact O-CE1 3.44Å
950	Y	95	Very high	92.1	Very high	33 Å²	33	43.4 Å²	43.4	13%	0.129	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-69.8	139.4	-178	-178.7	-102.7	0	0	0	110.9	F910 I952 H957 V961 F1015	F910-Y950 AromaticContact CD1-CD2 3.76Å; F910-Y950 HydrophobicContact CD1-CD2 3.76Å; F910-Y950 HydrophobicContact CD1-CG 4.25Å; F910-Y950 AromaticContact CD2-CD2 3.92Å; F910-Y950 HydrophobicContact CD2-CD2 3.92Å; F910-Y950 HydrophobicContact CD2-CE2 4.39Å; F910-Y950 AromaticContact CE1-CD2 3.78Å; F910-Y950 HydrophobicContact CE1-CD2 3.78Å; F910-Y950 HydrophobicContact CE1-CG 4.19Å; F910-Y950 AromaticContact CE2-CD2 3.9Å; F910-Y950 HydrophobicContact CE2-CD2 3.9Å; F910-Y950 AromaticContact CG-CD2 3.85Å; F910-Y950 HydrophobicContact CG-CD2 3.85Å; F910-Y950 AromaticContact CZ-CD2 3.84Å; F910-Y950 HydrophobicContact CZ-CD2 3.84Å; Y950-I952 HydrophobicContact CD1-CG1 4.32Å; Y950-I952 HydrophobicContact CE1-CG1 3.56Å; Y950-H957 HydrophobicContact CD2-CB 4.02Å; Y950-H957 HydrophobicContact CE2-CB 3.79Å; Y950-V961 HydrophobicContact CD2-CG2 4.49Å; Y950-V961 HydrophobicContact CE2-CG2 3.52Å; Y950-F1015 HydrophobicContact CE1-CD2 4.47Å; Y950-F1015 HydrophobicContact CE1-CE2 4.35Å
951	S	93.8	Very high	92.9	Very high	43 Å²	43	42 Å²	42	30%	0.301	23%	0.227	S	C	.	.			trans	-130.7	128.3	175.2	179.1	0	0	0	0	108.6	T953 H957	S951-T953 PolarHBondContact O-N 3.28Å; S951-T953 PolarHBondContact OG-N 2.92Å; S951-T953 PolarHBondContact OG-OG1 3.14Å; S951-H957 PolarHBondContact N-ND1 2.84Å; S951-H957 VanDerWaalsContact O-CB 3.31Å; S951-H957 WeakPolarHBondContact O-CB 3.25Å; S951-H957 PolarHBondContact O-ND1 3.13Å
952	I	91.1	Very high	93.5	Very high	35 Å²	35	40.1 Å²	40.1	18%	0.179	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24.5	176.5	-62.4	167.7	0	0	0	110.7	Y950 D954 Q958 V1008 L1011 Q1012 F1015	Y950-I952 HydrophobicContact CD1-CG1 4.32Å; Y950-I952 HydrophobicContact CE1-CG1 3.56Å; I952-D954 VanDerWaalsContact C-N 3.35Å; I952-Q958 VanDerWaalsContact O-CG 3.3Å; I952-Q958 WeakPolarHBondContact O-CG 3.47Å; I952-Q958 PolarHBondContact O-NE2 2.83Å; I952-V1008 HydrophobicContact CG2-CB 4.41Å; I952-V1008 HydrophobicContact CG2-CG1 4.1Å; I952-L1011 HydrophobicContact CG2-CB 3.83Å; I952-L1011 HydrophobicContact CG2-CD1 4.46Å; I952-Q1012 HydrophobicContact CD1-CB 4.49Å; I952-Q1012 HydrophobicContact CD1-CG 3.72Å; I952-Q1012 HydrophobicContact CG2-CG 4.15Å; I952-F1015 HydrophobicContact CD1-CD2 4.43Å
953	T	91.4	Very high	93.7	Very high	93 Å²	93	37.2 Å²	37.2	57%	0.571	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.6	-178.7	57.3	0	0	0	0	113.8	S951 P955 V1008	S951-T953 PolarHBondContact O-N 3.28Å; S951-T953 PolarHBondContact OG-N 2.92Å; S951-T953 PolarHBondContact OG-OG1 3.14Å; T953-P955 WeakPolarHBondContact O-CD 3.39Å; T953-V1008 HydrophobicContact CG2-CG1 4.4Å
954	D	92.8	Very high	94	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	20%	0.196	S	C	.	.			trans	-85.2	117.3	-179.3	-174.8	-47.3	0	0	0	110.2	I952 L956 H957 Q958	I952-D954 VanDerWaalsContact C-N 3.35Å; D954-L956 PolarHBondContact O-N 3.5Å; D954-L956 WeakPolarHBondContact OD1-CA 3.27Å; D954-L956 WeakPolarHBondContact OD1-CB 3.43Å; D954-L956 PolarHBondContact OD1-N 2.8Å; D954-H957 HydrophobicContact CB-CB 3.95Å; D954-H957 WeakPolarHBondContact O-CB 3.48Å; D954-H957 PolarHBondContact O-N 3.41Å; D954-H957 VanDerWaalsContact O-N 3.11Å; D954-H957 IonicContact OD1-CD2 2.66Å; D954-H957 IonicContact OD1-CG 3.71Å; D954-H957 PolarHBondContact OD1-N 2.83Å; D954-H957 IonicContact OD2-CD2 3.21Å; D954-H957 IonicContact OD2-CE1 3.88Å; D954-H957 IonicContact OD2-NE2 2.66Å; D954-Q958 WeakPolarHBondContact O-CG 3.47Å; D954-Q958 PolarHBondContact O-N 3.04Å
955	P	91.3	Very high	94.1	Very high	61 Å²	61	33.6 Å²	33.6	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-33.3	-178.1	-24.3	34.2	0	0	0	113.6	T953 Q958 T959	T953-P955 WeakPolarHBondContact O-CD 3.39Å; P955-Q958 PolarHBondContact O-N 2.85Å; P955-T959 WeakPolarHBondContact O-CB 3.2Å; P955-T959 PolarHBondContact O-N 2.64Å; P955-T959 PolarHBondContact O-OG1 2.91Å
956	L	92.5	Very high	93.9	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-39.4	178.8	-177.9	64.4	0	0	0	110.9	D954 T959 F960 N1137 L1138	D954-L956 PolarHBondContact O-N 3.5Å; D954-L956 WeakPolarHBondContact OD1-CA 3.27Å; D954-L956 WeakPolarHBondContact OD1-CB 3.43Å; D954-L956 PolarHBondContact OD1-N 2.8Å; L956-T959 PolarHBondContact O-N 3.32Å; L956-F960 PolarHBondContact O-N 3.31Å; L956-F960 VanDerWaalsContact O-N 3.11Å; L956-N1137 HydrophobicContact CD1-CB 3.93Å; L956-N1137 HydrophobicContact CD2-CB 4.02Å; L956-L1138 HydrophobicContact CD2-CD2 3.95Å; L956-L1138 HydrophobicContact CD2-CG 3.99Å; L956-L1138 HydrophobicContact CG-CD2 4.11Å; L956-L1138 HydrophobicContact CG-CG 3.96Å
957	H	95.8	Very high	93.8	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.06	16%	0.159	C	C	.	.	H	α-helix	trans	-66.1	-45	176.3	-66.3	-175.5	0	0	0	111.3	F910 E949 Y950 S951 D954 F960 V961 L1138	F910-H957 HydrophobicContact CE2-CB 4.12Å; F910-H957 AromaticContact CE2-CD2 3.8Å; F910-H957 AromaticContact CE2-CG 3.8Å; F910-H957 AromaticContact CZ-CD2 3.84Å; F910-H957 AromaticContact CZ-CE1 3.89Å; F910-H957 AromaticContact CZ-CG 3.84Å; F910-H957 AromaticContact CZ-ND1 3.92Å; F910-H957 AromaticContact CZ-NE2 3.8Å; E949-H957 PolarHBondContact O-CE1 3.44Å; Y950-H957 HydrophobicContact CD2-CB 4.02Å; Y950-H957 HydrophobicContact CE2-CB 3.79Å; S951-H957 PolarHBondContact N-ND1 2.84Å; S951-H957 VanDerWaalsContact O-CB 3.31Å; S951-H957 WeakPolarHBondContact O-CB 3.25Å; S951-H957 PolarHBondContact O-ND1 3.13Å; D954-H957 HydrophobicContact CB-CB 3.95Å; D954-H957 WeakPolarHBondContact O-CB 3.48Å; D954-H957 PolarHBondContact O-N 3.41Å; D954-H957 VanDerWaalsContact O-N 3.11Å; D954-H957 IonicContact OD1-CD2 2.66Å; D954-H957 IonicContact OD1-CG 3.71Å; D954-H957 PolarHBondContact OD1-N 2.83Å; D954-H957 IonicContact OD2-CD2 3.21Å; D954-H957 IonicContact OD2-CE1 3.88Å; D954-H957 IonicContact OD2-NE2 2.66Å; H957-F960 PolarHBondContact O-N 3.26Å; H957-V961 PolarHBondContact O-N 2.84Å; H957-V961 VanDerWaalsContact O-N 3.14Å; H957-L1138 VanDerWaalsContact CD2-CD2 3.47Å; H957-L1138 WeakPolarHBondContact CD2-CD2 3.44Å
958	Q	93	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-47.7	174.7	-65.8	175.8	5.1	0	0	111.2	I952 D954 P955 F960 V961 I962 Y1002 L1007 V1008 L1011	I952-Q958 VanDerWaalsContact O-CG 3.3Å; I952-Q958 WeakPolarHBondContact O-CG 3.47Å; I952-Q958 PolarHBondContact O-NE2 2.83Å; D954-Q958 WeakPolarHBondContact O-CG 3.47Å; D954-Q958 PolarHBondContact O-N 3.04Å; P955-Q958 PolarHBondContact O-N 2.85Å; Q958-F960 VanDerWaalsContact C-N 3.31Å; Q958-F960 PolarHBondContact O-N 2.98Å; Q958-V961 PolarHBondContact O-N 3.42Å; Q958-I962 HydrophobicContact CB-CD1 4.39Å; Q958-I962 WeakPolarHBondContact O-CB 3.43Å; Q958-I962 WeakPolarHBondContact O-CG1 3.35Å; Q958-I962 PolarHBondContact O-N 2.93Å; Q958-Y1002 HydrophobicContact CB-CD1 4.43Å; Q958-L1007 HydrophobicContact CB-CD2 4.4Å; Q958-L1007 VanDerWaalsContact OE1-CD2 3.27Å; Q958-V1008 VanDerWaalsContact NE2-CG2 3.3Å; Q958-L1011 HydrophobicContact CB-CD1 4.38Å; Q958-L1011 HydrophobicContact CG-CD1 3.98Å
959	T	92.1	Very high	93.6	Very high	21 Å²	21	25.8 Å²	25.8	13%	0.129	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-45.3	179.4	-56.6	0	0	0	0	111	P955 L956 S963 Y1002 D1130	P955-T959 WeakPolarHBondContact O-CB 3.2Å; P955-T959 PolarHBondContact O-N 2.64Å; P955-T959 PolarHBondContact O-OG1 2.91Å; L956-T959 PolarHBondContact O-N 3.32Å; T959-S963 WeakPolarHBondContact O-CB 3.39Å; T959-S963 PolarHBondContact O-N 2.88Å; T959-S963 PolarHBondContact O-OG 2.79Å; T959-Y1002 HydrophobicContact CG2-CE1 4.35Å; T959-Y1002 HydrophobicContact CG2-CE2 4.1Å; T959-D1130 HydrophobicContact CG2-CB 4.16Å
960	F	96.2	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-49.2	177.2	176.5	-89.4	0	0	0	112.3	K909 F910 Y913 F914 L956 H957 Q958 S963 Y964 F1131 S1134 A1135 L1138	K909-F960 HydrophobicContact CB-CZ 4.43Å; F910-F960 HydrophobicContact CB-CD1 3.94Å; F910-F960 HydrophobicContact CB-CE1 3.71Å; F910-F960 AromaticContact CD2-CD1 3.73Å; F910-F960 HydrophobicContact CD2-CD1 3.73Å; F910-F960 HydrophobicContact CD2-CE1 4.25Å; F910-F960 HydrophobicContact CD2-CG 4.3Å; F910-F960 HydrophobicContact CG-CD1 4.34Å; F910-F960 HydrophobicContact CG-CE1 4.49Å; Y913-F960 HydrophobicContact CD2-CE2 4.45Å; Y913-F960 AromaticContact CD2-CZ 4Å; Y913-F960 HydrophobicContact CD2-CZ 4Å; Y913-F960 HydrophobicContact CE2-CZ 4.44Å; F914-F960 HydrophobicContact CE2-CD1 4.28Å; F914-F960 AromaticContact CE2-CD2 3.83Å; F914-F960 HydrophobicContact CE2-CD2 3.83Å; F914-F960 HydrophobicContact CE2-CE1 4.06Å; F914-F960 AromaticContact CE2-CE2 3.56Å; F914-F960 HydrophobicContact CE2-CE2 3.56Å; F914-F960 HydrophobicContact CE2-CG 4.18Å; F914-F960 AromaticContact CE2-CZ 3.69Å; F914-F960 HydrophobicContact CE2-CZ 3.69Å; F914-F960 HydrophobicContact CZ-CD2 4.04Å; F914-F960 AromaticContact CZ-CE2 3.72Å; F914-F960 HydrophobicContact CZ-CE2 3.72Å; F914-F960 HydrophobicContact CZ-CZ 4.24Å; L956-F960 PolarHBondContact O-N 3.31Å; L956-F960 VanDerWaalsContact O-N 3.11Å; H957-F960 PolarHBondContact O-N 3.26Å; Q958-F960 VanDerWaalsContact C-N 3.31Å; Q958-F960 PolarHBondContact O-N 2.98Å; F960-S963 PolarHBondContact O-OG 3.26Å; F960-Y964 HydrophobicContact CZ-CD2 4.06Å; F960-Y964 WeakPolarHBondContact O-CB 3.37Å; F960-Y964 PolarHBondContact O-N 3.27Å; F960-F1131 HydrophobicContact CD2-CD2 4.44Å; F960-F1131 HydrophobicContact CD2-CE2 4.2Å; F960-F1131 HydrophobicContact CE2-CD2 4.31Å; F960-F1131 AromaticContact CE2-CE2 3.65Å; F960-F1131 HydrophobicContact CE2-CE2 3.65Å; F960-F1131 HydrophobicContact CZ-CE2 4.3Å; F960-S1134 VanDerWaalsContact CA-OG 3.3Å; F960-S1134 WeakPolarHBondContact CA-OG 3.38Å; F960-A1135 HydrophobicContact CD2-CB 3.95Å; F960-A1135 HydrophobicContact CE2-CB 3.88Å; F960-L1138 HydrophobicContact CB-CD1 3.59Å; F960-L1138 HydrophobicContact CD2-CD1 3.93Å; F960-L1138 HydrophobicContact CG-CD1 3.76Å
961	V	95.3	Very high	93.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-45	-176.1	168.1	0	0	0	0	111.1	L903 A906 Y950 H957 Q958 A965 F1015	L903-V961 HydrophobicContact CD2-CG1 3.9Å; A906-V961 HydrophobicContact CB-CG1 4.09Å; A906-V961 VanDerWaalsContact CB-O 3.29Å; A906-V961 WeakPolarHBondContact CB-O 3.45Å; Y950-V961 HydrophobicContact CD2-CG2 4.49Å; Y950-V961 HydrophobicContact CE2-CG2 3.52Å; H957-V961 PolarHBondContact O-N 2.84Å; H957-V961 VanDerWaalsContact O-N 3.14Å; Q958-V961 PolarHBondContact O-N 3.42Å; V961-A965 VanDerWaalsContact O-CB 3.32Å; V961-A965 WeakPolarHBondContact O-CB 3.5Å; V961-A965 PolarHBondContact O-N 3.33Å; V961-F1015 HydrophobicContact CG1-CE2 4.34Å; V961-F1015 HydrophobicContact CG1-CZ 3.9Å
962	I	92.3	Very high	93	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-70.8	-48.4	-177.6	-65.9	163	0	0	0	110.8	Q958 Y964 A965 R966 L1000 Y1002 L1007 L1011	Q958-I962 HydrophobicContact CB-CD1 4.39Å; Q958-I962 WeakPolarHBondContact O-CB 3.43Å; Q958-I962 WeakPolarHBondContact O-CG1 3.35Å; Q958-I962 PolarHBondContact O-N 2.93Å; I962-Y964 VanDerWaalsContact C-N 3.33Å; I962-Y964 PolarHBondContact O-N 3.16Å; I962-A965 PolarHBondContact O-N 2.8Å; I962-R966 HydrophobicContact CG2-CG 4.25Å; I962-R966 WeakPolarHBondContact O-CB 3.5Å; I962-R966 VanDerWaalsContact O-CG 3.28Å; I962-R966 WeakPolarHBondContact O-CG 3.16Å; I962-R966 PolarHBondContact O-N 2.65Å; I962-L1000 HydrophobicContact CG2-CD1 4.44Å; I962-L1000 HydrophobicContact CG2-CD2 4.16Å; I962-Y1002 HydrophobicContact CB-CE1 4.28Å; I962-Y1002 HydrophobicContact CD1-CD1 4.15Å; I962-Y1002 HydrophobicContact CD1-CE1 3.91Å; I962-Y1002 HydrophobicContact CG2-CE1 4.38Å; I962-L1007 HydrophobicContact CD1-CD1 3.65Å; I962-L1007 HydrophobicContact CD1-CD2 3.49Å; I962-L1007 VanDerWaalsContact CD1-CD2 3.49Å; I962-L1007 HydrophobicContact CD1-CG 4Å; I962-L1011 HydrophobicContact CD1-CD1 4.46Å
963	S	93.3	Very high	92.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-40.8	178.6	60.6	0	0	0	0	111.9	T959 F960 R966 L967 F1131	T959-S963 WeakPolarHBondContact O-CB 3.39Å; T959-S963 PolarHBondContact O-N 2.88Å; T959-S963 PolarHBondContact O-OG 2.79Å; F960-S963 PolarHBondContact O-OG 3.26Å; S963-R966 PolarHBondContact O-N 3.43Å; S963-L967 VanDerWaalsContact O-CG 3.26Å; S963-L967 WeakPolarHBondContact O-CG 2.89Å; S963-L967 PolarHBondContact O-N 3.12Å; S963-F1131 VanDerWaalsContact OG-CA 3.24Å; S963-F1131 WeakPolarHBondContact OG-CA 3.45Å
964	Y	96.5	Very high	92.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-44.6	173.6	-165.8	-70.4	0	0	0	111.9	Q782 F783 A906 K909 F960 I962 L967 L968 F1131	Q782-Y964 HydrophobicContact CG-CE2 4.37Å; Q782-Y964 WeakPolarHBondContact CG-OH 3.31Å; F783-Y964 HydrophobicContact CE1-CD1 4.4Å; F783-Y964 HydrophobicContact CE1-CE1 4.1Å; F783-Y964 HydrophobicContact CE1-CE2 4.44Å; F783-Y964 HydrophobicContact CE2-CD2 4.48Å; F783-Y964 HydrophobicContact CE2-CE2 4.34Å; F783-Y964 HydrophobicContact CZ-CD1 4.13Å; F783-Y964 AromaticContact CZ-CD2 3.75Å; F783-Y964 HydrophobicContact CZ-CD2 3.75Å; F783-Y964 HydrophobicContact CZ-CE1 4Å; F783-Y964 AromaticContact CZ-CE2 3.63Å; F783-Y964 HydrophobicContact CZ-CE2 3.63Å; F783-Y964 AromaticContact CZ-CG 3.97Å; F783-Y964 HydrophobicContact CZ-CG 3.97Å; F783-Y964 AromaticContact CZ-CZ 3.73Å; A906-Y964 HydrophobicContact CB-CD1 3.77Å; A906-Y964 HydrophobicContact CB-CG 4.03Å; K909-Y964 HydrophobicContact CB-CD2 4.4Å; K909-Y964 HydrophobicContact CB-CE2 3.99Å; K909-Y964 HydrophobicContact CD-CE2 4.49Å; K909-Y964 WeakPolarHBondContact CE-OH 3.16Å; K909-Y964 HydrophobicContact CG-CE1 4.04Å; K909-Y964 HydrophobicContact CG-CE2 3.92Å; F960-Y964 HydrophobicContact CZ-CD2 4.06Å; F960-Y964 WeakPolarHBondContact O-CB 3.37Å; F960-Y964 PolarHBondContact O-N 3.27Å; I962-Y964 VanDerWaalsContact C-N 3.33Å; I962-Y964 PolarHBondContact O-N 3.16Å; Y964-L967 PolarHBondContact O-N 3.18Å; Y964-L968 HydrophobicContact CD1-CD1 3.66Å; Y964-L968 HydrophobicContact CD1-CG 3.84Å; Y964-L968 HydrophobicContact CE1-CD1 3.58Å; Y964-L968 HydrophobicContact CE1-CD2 3.97Å; Y964-L968 HydrophobicContact CE1-CG 3.68Å; Y964-L968 WeakPolarHBondContact O-CG 3.32Å; Y964-L968 PolarHBondContact O-N 3.21Å; Y964-F1131 HydrophobicContact CD2-CD2 4.15Å; Y964-F1131 AromaticContact CD2-CE2 3.57Å; Y964-F1131 HydrophobicContact CD2-CE2 3.57Å; Y964-F1131 HydrophobicContact CD2-CZ 4.34Å; Y964-F1131 HydrophobicContact CE2-CE2 4.23Å; Y964-F1131 HydrophobicContact CG-CE2 4.49Å
965	A	94.5	Very high	92.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-39	179	0	0	0	0	0	112.3	W899 C902 L903 A906 V961 I962 L968 A969	W899-A965 HydrophobicContact CH2-CB 3.7Å; W899-A965 HydrophobicContact CZ2-CB 4.41Å; W899-A965 HydrophobicContact CZ3-CB 3.82Å; C902-A965 HydrophobicContact CB-CB 3.94Å; L903-A965 HydrophobicContact CD2-CB 3.73Å; L903-A965 HydrophobicContact CG-CB 4.19Å; A906-A965 HydrophobicContact CB-CB 4.32Å; V961-A965 VanDerWaalsContact O-CB 3.32Å; V961-A965 WeakPolarHBondContact O-CB 3.5Å; V961-A965 PolarHBondContact O-N 3.33Å; I962-A965 PolarHBondContact O-N 2.8Å; A965-L968 WeakPolarHBondContact O-CB 3.32Å; A965-L968 PolarHBondContact O-N 2.8Å; A965-A969 WeakPolarHBondContact O-CB 3.5Å; A965-A969 PolarHBondContact O-N 3.45Å
966	R	92.1	Very high	92	Very high	36 Å²	36	24 Å²	24	14%	0.136	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-43.4	174.2	-71.2	179	71.7	-166.3	-1.8	111.6	W899 I962 S963 L968 A969 A970 L1000 N1125 A1127	W899-R966 HydrophobicContact CH2-CG 3.89Å; W899-R966 HydrophobicContact CZ3-CG 4.3Å; I962-R966 HydrophobicContact CG2-CG 4.25Å; I962-R966 WeakPolarHBondContact O-CB 3.5Å; I962-R966 VanDerWaalsContact O-CG 3.28Å; I962-R966 WeakPolarHBondContact O-CG 3.16Å; I962-R966 PolarHBondContact O-N 2.65Å; S963-R966 PolarHBondContact O-N 3.43Å; R966-L968 PolarHBondContact O-N 3.29Å; R966-A969 PolarHBondContact O-N 2.94Å; R966-A970 PolarHBondContact O-N 3.11Å; R966-L1000 VanDerWaalsContact NH1-CD1 3.32Å; R966-N1125 PolarHBondContact NH2-O 3Å; R966-A1127 HydrophobicContact CB-CB 4.42Å
967	L	93.6	Very high	91	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-42.2	174.6	-72	169.9	0	0	0	112.3	F779 F783 S963 Y964 Q971 V1117 H1128 F1131	F779-L967 HydrophobicContact CD2-CD1 3.92Å; F779-L967 HydrophobicContact CD2-CD2 4.46Å; F779-L967 HydrophobicContact CE2-CD1 3.85Å; F779-L967 HydrophobicContact CE2-CD2 3.58Å; F779-L967 HydrophobicContact CE2-CG 4.4Å; F779-L967 HydrophobicContact CZ-CD2 4.23Å; F783-L967 HydrophobicContact CD1-CB 3.77Å; F783-L967 HydrophobicContact CD2-CB 4.28Å; F783-L967 HydrophobicContact CD2-CD1 3.86Å; F783-L967 HydrophobicContact CE1-CB 3.51Å; F783-L967 HydrophobicContact CE1-CD1 4.43Å; F783-L967 HydrophobicContact CE2-CB 4.07Å; F783-L967 HydrophobicContact CE2-CD1 3.45Å; F783-L967 VanDerWaalsContact CE2-CD1 3.45Å; F783-L967 HydrophobicContact CE2-CG 4.35Å; F783-L967 HydrophobicContact CG-CB 4.15Å; F783-L967 HydrophobicContact CZ-CB 3.67Å; F783-L967 HydrophobicContact CZ-CD1 3.76Å; F783-L967 HydrophobicContact CZ-CG 4.36Å; S963-L967 VanDerWaalsContact O-CG 3.26Å; S963-L967 WeakPolarHBondContact O-CG 2.89Å; S963-L967 PolarHBondContact O-N 3.12Å; Y964-L967 PolarHBondContact O-N 3.18Å; L967-Q971 VanDerWaalsContact O-CB 3.27Å; L967-Q971 WeakPolarHBondContact O-CB 3.43Å; L967-Q971 PolarHBondContact O-N 2.86Å; L967-V1117 HydrophobicContact CD2-CG1 4.39Å; L967-H1128 WeakPolarHBondContact CD2-CD2 3.44Å; L967-F1131 HydrophobicContact CD1-CB 3.54Å; L967-F1131 HydrophobicContact CD1-CD1 4Å; L967-F1131 HydrophobicContact CD1-CD2 4.19Å; L967-F1131 HydrophobicContact CD1-CG 3.59Å
968	L	94.1	Very high	89.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-43.9	173.1	-72.7	174.2	0	0	0	112.1	F783 P896 C902 L905 Y964 A965 R966 Q971 L972	F783-L968 HydrophobicContact CE1-CD2 4.05Å; F783-L968 HydrophobicContact CE1-CG 4.15Å; P896-L968 HydrophobicContact CG-CD1 4.24Å; C902-L968 HydrophobicContact CB-CB 4.21Å; C902-L968 HydrophobicContact CB-CD1 4.06Å; L905-L968 HydrophobicContact CB-CD1 4.11Å; L905-L968 HydrophobicContact CD2-CD1 3.73Å; L905-L968 HydrophobicContact CD2-CD2 4.05Å; L905-L968 HydrophobicContact CG-CD1 4.13Å; Y964-L968 HydrophobicContact CD1-CD1 3.66Å; Y964-L968 HydrophobicContact CD1-CG 3.84Å; Y964-L968 HydrophobicContact CE1-CD1 3.58Å; Y964-L968 HydrophobicContact CE1-CD2 3.97Å; Y964-L968 HydrophobicContact CE1-CG 3.68Å; Y964-L968 WeakPolarHBondContact O-CG 3.32Å; Y964-L968 PolarHBondContact O-N 3.21Å; A965-L968 WeakPolarHBondContact O-CB 3.32Å; A965-L968 PolarHBondContact O-N 2.8Å; R966-L968 PolarHBondContact O-N 3.29Å; L968-Q971 PolarHBondContact O-N 3.18Å; L968-L972 WeakPolarHBondContact O-CB 3.34Å; L968-L972 WeakPolarHBondContact O-CG 3.25Å; L968-L972 PolarHBondContact O-N 2.9Å
969	A	92.2	Very high	86.9	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-43.2	-179.2	0	0	0	0	0	111.3	W899 A965 R966 L972 S973 I974 V976	W899-A969 HydrophobicContact CE3-CB 4.09Å; W899-A969 HydrophobicContact CZ3-CB 4.03Å; A965-A969 WeakPolarHBondContact O-CB 3.5Å; A965-A969 PolarHBondContact O-N 3.45Å; R966-A969 PolarHBondContact O-N 2.94Å; A969-L972 PolarHBondContact O-N 3.39Å; A969-S973 CarbonylContact O-C 3.54Å; A969-S973 WeakPolarHBondContact O-CA 3.34Å; A969-S973 PolarHBondContact O-N 2.9Å; A969-I974 HydrophobicContact CB-CB 4.18Å; A969-I974 PolarHBondContact O-N 3.37Å; A969-V976 HydrophobicContact CB-CG2 3.83Å
970	A	89	Confident	84.8	Confident	63 Å²	63	36 Å²	36	52%	0.521	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-46.5	172.6	0	0	0	0	0	112	R966 L972 S973	R966-A970 PolarHBondContact O-N 3.11Å; A970-L972 PolarHBondContact O-N 3.24Å; A970-S973 PolarHBondContact O-N 2.93Å
971	Q	92.1	Very high	82.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-29.1	178.8	-166.6	-156.6	-77.3	0	0	113.2	Q782 P787 L967 L968 C1114 Q1115 V1117	Q782-Q971 PolarHBondContact O-OE1 2.9Å; P787-Q971 VanDerWaalsContact CG-CD 3.49Å; P787-Q971 HydrophobicContact CG-CG 3.81Å; L967-Q971 VanDerWaalsContact O-CB 3.27Å; L967-Q971 WeakPolarHBondContact O-CB 3.43Å; L967-Q971 PolarHBondContact O-N 2.86Å; L968-Q971 PolarHBondContact O-N 3.18Å; Q971-C1114 PolarHBondContact NE2-SG 2.74Å; Q971-C1114 CarbonylContact O-C 3.58Å; Q971-C1114 VanDerWaalsContact O-CA 3.28Å; Q971-C1114 WeakPolarHBondContact O-CA 3.34Å; Q971-Q1115 WeakPolarHBondContact CG-O 3.23Å; Q971-Q1115 PolarHBondContact O-N 2.99Å; Q971-V1117 HydrophobicContact CB-CG2 4Å; Q971-V1117 HydrophobicContact CG-CG2 4.36Å
972	L	91.4	Very high	79.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-116	6	-171.6	-64.9	169.8	0	0	0	113.4	R895 P896 L968 A969 A970 I974 V1110 C1114	R895-L972 HydrophobicContact CB-CD1 4.1Å; R895-L972 HydrophobicContact CB-CD2 4.26Å; R895-L972 HydrophobicContact CG-CD2 4.19Å; P896-L972 HydrophobicContact CG-CD1 3.65Å; L968-L972 WeakPolarHBondContact O-CB 3.34Å; L968-L972 WeakPolarHBondContact O-CG 3.25Å; L968-L972 PolarHBondContact O-N 2.9Å; A969-L972 PolarHBondContact O-N 3.39Å; A970-L972 PolarHBondContact O-N 3.24Å; L972-I974 HydrophobicContact CB-CD1 3.89Å; L972-I974 HydrophobicContact CB-CG1 3.97Å; L972-I974 HydrophobicContact CD1-CD1 4.1Å; L972-I974 PolarHBondContact O-N 2.88Å; L972-V1110 HydrophobicContact CB-CB 4.22Å; L972-V1110 HydrophobicContact CD2-CB 4.43Å; L972-C1114 HydrophobicContact CD2-CB 4.02Å
973	S	89.5	Confident	76.7	Confident	76 Å²	76	49.4 Å²	49.4	53%	0.531	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	36.4	-174.7	-49.9	0	0	0	0	113.8	A969 A970	A969-S973 CarbonylContact O-C 3.54Å; A969-S973 WeakPolarHBondContact O-CA 3.34Å; A969-S973 PolarHBondContact O-N 2.9Å; A970-S973 PolarHBondContact O-N 2.93Å
974	I	90.2	Very high	73.6	Confident	21 Å²	21	53.9 Å²	53.9	11%	0.108	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-83.1	129.9	175	-63.1	168.6	0	0	0	108.2	P896 W899 A969 L972 V976 V1110	P896-I974 HydrophobicContact CG-CD1 4.29Å; W899-I974 HydrophobicContact CB-CG2 4.49Å; A969-I974 HydrophobicContact CB-CB 4.18Å; A969-I974 PolarHBondContact O-N 3.37Å; L972-I974 HydrophobicContact CB-CD1 3.89Å; L972-I974 HydrophobicContact CB-CG1 3.97Å; L972-I974 HydrophobicContact CD1-CD1 4.1Å; L972-I974 PolarHBondContact O-N 2.88Å; I974-V976 PolarHBondContact O-N 3.39Å; I974-V1110 HydrophobicContact CD1-CG1 4.18Å; I974-V1110 HydrophobicContact CG1-CG1 3.84Å
975	Q	83.8	Confident	70.3	Confident	178 Å²	178	61.2 Å²	61.2	83%	0.832	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-68.8	128	177.1	-71.1	-174.9	-18.3	0	0	110.8
976	V	81.5	Confident	67.1	Low	48 Å²	48	66.3 Å²	66.3	29%	0.291	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-83.7	121.3	170.7	-174.8	0	0	0	0	107.3	W899 A969 I974 Q978 F981	W899-V976 HydrophobicContact CD2-CG1 4.41Å; W899-V976 HydrophobicContact CE3-CG1 4.28Å; W899-V976 HydrophobicContact CE3-CG2 4.01Å; W899-V976 HydrophobicContact CH2-CG1 4.14Å; W899-V976 HydrophobicContact CZ2-CG1 4.25Å; W899-V976 HydrophobicContact CZ3-CG1 4.14Å; W899-V976 HydrophobicContact CZ3-CG2 3.85Å; A969-V976 HydrophobicContact CB-CG2 3.83Å; I974-V976 PolarHBondContact O-N 3.39Å; V976-Q978 PolarHBondContact O-N 2.87Å; V976-F981 HydrophobicContact CG1-CE2 3.91Å
977	P	71.6	Confident	64.2	Low	43 Å²	43	72.1 Å²	72.1	28%	0.279	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-61	124.6	-175.6	-20.5	30.3	0	0	0	111.7	W899 S979 C980	W899-P977 HydrophobicContact CB-CG 4.44Å; W899-P977 HydrophobicContact CG-CG 4.25Å; P977-S979 PolarHBondContact O-N 3.41Å; P977-C980 HydrophobicContact CB-CB 4.38Å; P977-C980 WeakPolarHBondContact O-CB 3.3Å; P977-C980 PolarHBondContact O-N 2.75Å
978	Q	58.5	Low	61.1	Low	175 Å²	175	76.7 Å²	76.7	82%	0.818	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-62.2	-34.4	174.2	-71.6	-172.4	-28.1	0	0	111.4	V976 C980 F981 S982	V976-Q978 PolarHBondContact O-N 2.87Å; Q978-C980 PolarHBondContact O-N 2.86Å; Q978-F981 PolarHBondContact O-N 3.03Å; Q978-F981 VanDerWaalsContact O-N 3.15Å; Q978-S982 PolarHBondContact O-OG 2.77Å
979	S	45.5	Very low	58	Low	77 Å²	77	82 Å²	82	54%	0.538	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-66.7	-15.8	177.9	58.8	0	0	0	0	114.4	P977 F981	P977-S979 PolarHBondContact O-N 3.41Å; S979-F981 PolarHBondContact O-N 3.39Å; S979-F981 VanDerWaalsContact O-N 3.12Å
980	C	48.4	Very low	55.2	Low	32 Å²	32	86.9 Å²	86.9	22%	0.216	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-65.9	-8.1	172.1	-77.4	0	0	0	0	112.6	P977 Q978 Y1010	P977-C980 HydrophobicContact CB-CB 4.38Å; P977-C980 WeakPolarHBondContact O-CB 3.3Å; P977-C980 PolarHBondContact O-N 2.75Å; Q978-C980 PolarHBondContact O-N 2.86Å; C980-Y1010 WeakPolarHBondContact SG-CE2 3.34Å; C980-Y1010 PolarHBondContact SG-OH 2.75Å; C980-Y1010 VanDerWaalsContact SG-OH 3.35Å
981	F	50.3	Low	52.4	Low	54 Å²	54	91.2 Å²	91.2	24%	0.237	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-136.4	11.8	-170.7	-50	-71.6	0	0	0	114	V976 Q978 S979 L999 L1000	V976-F981 HydrophobicContact CG1-CE2 3.91Å; Q978-F981 PolarHBondContact O-N 3.03Å; Q978-F981 VanDerWaalsContact O-N 3.15Å; S979-F981 PolarHBondContact O-N 3.39Å; S979-F981 VanDerWaalsContact O-N 3.12Å; F981-L999 HydrophobicContact CB-CD2 3.86Å; F981-L1000 HydrophobicContact CD1-CD2 4.13Å; F981-L1000 HydrophobicContact CE1-CD2 3.58Å; F981-L1000 HydrophobicContact CZ-CD2 4.37Å
982	S	30.7	Very low	49.6	Very low	81 Å²	81	95.1 Å²	95.1	57%	0.566	57%	0.569	S	S	*	*			trans	-152.2	85.4	-177.5	61.7	0	0	0	0	114.1	Q978	Q978-S982 PolarHBondContact O-OG 2.77Å
983	I	31.9	Very low	46.9	Very low	149 Å²	149	101.3 Å²	101.3	76%	0.764	61%	0.609	S	S	*	*			trans	-157.5	116.8	156.3	-66.7	105.1	0	0	0	104.3
984	S	27.8	Very low	44.1	Very low	94 Å²	94	104.9 Å²	104.9	66%	0.657	62%	0.622	S	S	*	*			cis	-153.5	129.2	43.3	51.1	0	0	0	0	112.9
985	N	28.1	Very low	41.5	Very low	154 Å²	154	108.1 Å²	108.1	82%	0.824	64%	0.639	S	S	*	*				-177.4	133	120.1	-92.4	-17.3	0	0	0	109.7	L987	N985-L987 PolarHBondContact O-N 2.53Å
986	S	26.9	Very low	39.5	Very low	108 Å²	108	104.4 Å²	104.4	76%	0.755	62%	0.621	S	S	*	*			trans	-48.8	114	167	49	0	0	0	0	111
987	L	30.3	Very low	37.8	Very low	157 Å²	157	106 Å²	106	82%	0.822	63%	0.634	S	S	*	*			trans	-169.6	146.6	139.3	-115.8	96.5	0	0	0	109.5	N985	N985-L987 PolarHBondContact O-N 2.53Å
988	S	29.1	Very low	36.2	Very low	97 Å²	97	109.7 Å²	109.7	68%	0.678	66%	0.656	S	S	*	*			trans	-76.9	150	-160.5	45.8	0	0	0	0	116.5
989	S	29.8	Very low	35.4	Very low	112 Å²	112	104 Å²	104	78%	0.783	63%	0.631	S	S	*	*			trans	52.6	95.2	143.6	63.9	0	0	0	0	119.1
990	S	33.4	Very low	35.9	Very low	105 Å²	105	101.7 Å²	101.7	73%	0.734	61%	0.612	S	S	*	*			trans	-149.5	129.6	143.1	66.3	0	0	0	0	110.3	S992	S990-S992 PolarHBondContact O-N 3.3Å
991	T	30.3	Very low	36.7	Very low	154 Å²	154	106 Å²	106	95%	0.945	63%	0.633	S	S	*	*			trans	-87.9	86	177.4	41.3	0	0	0	0	109.3
992	S	32	Very low	37.6	Very low	81 Å²	81	105.9 Å²	105.9	57%	0.566	63%	0.631	S	S	*	*	S	Bend	trans	-141.4	145.1	160.2	56.7	0	0	0	0	109	S990 L994	S990-S992 PolarHBondContact O-N 3.3Å; S992-L994 PolarHBondContact O-N 3.47Å; S992-L994 VanDerWaalsContact O-N 3.17Å
993	P	34.5	Very low	39.5	Very low	131 Å²	131	103.7 Å²	103.7	85%	0.851	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.1	178.5	-8.5	23.3	0	0	0	108.8	D995	P993-D995 PolarHBondContact O-N 2.82Å
994	L	31	Very low	41.7	Very low	151 Å²	151	97.6 Å²	97.6	79%	0.791	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-61.2	128.1	172.2	-87.7	140.9	0	0	0	110.1	S992 L999	S992-L994 PolarHBondContact O-N 3.47Å; S992-L994 VanDerWaalsContact O-N 3.17Å; L994-L999 HydrophobicContact CB-CD1 4.29Å
995	D	37.2	Very low	44.2	Very low	89 Å²	89	97.6 Å²	97.6	48%	0.476	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-68.8	122.4	179.1	-171.3	2.4	0	0	0	110.8	P993 S997 T998 L999	P993-D995 PolarHBondContact O-N 2.82Å; D995-S997 PolarHBondContact O-N 3.46Å; D995-S997 VanDerWaalsContact O-N 3.17Å; D995-S997 PolarHBondContact OD1-N 3.07Å; D995-S997 PolarHBondContact OD1-OG 2.93Å; D995-S997 PolarHBondContact OD2-OG 3.21Å; D995-T998 PolarHBondContact O-OG1 2.89Å; D995-L999 WeakPolarHBondContact O-CD1 3.29Å
996	F	41.8	Very low	46.4	Very low	101 Å²	101	96.4 Å²	96.4	44%	0.443	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-67.3	-15.4	-175	-119.9	-88	0	0	0	112.6	L999 N1125	F996-L999 PolarHBondContact O-N 2.91Å; F996-N1125 HydrophobicContact CB-CB 4.35Å; F996-N1125 VanDerWaalsContact CB-OD1 3.24Å; F996-N1125 WeakPolarHBondContact CB-OD1 3.24Å
997	S	44.7	Very low	48.9	Very low	81 Å²	81	92 Å²	92	57%	0.566	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-71	-30.5	-176.9	69.8	0	0	0	0	113.6	D995 L999	D995-S997 PolarHBondContact O-N 3.46Å; D995-S997 VanDerWaalsContact O-N 3.17Å; D995-S997 PolarHBondContact OD1-N 3.07Å; D995-S997 PolarHBondContact OD1-OG 2.93Å; D995-S997 PolarHBondContact OD2-OG 3.21Å; S997-L999 VanDerWaalsContact C-N 3.28Å; S997-L999 PolarHBondContact O-N 2.73Å
998	T	37.9	Very low	51.5	Low	120 Å²	120	85.3 Å²	85.3	74%	0.736	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-81.4	-4.5	178.5	-6.4	0	0	0	0	113.6	D995	D995-T998 PolarHBondContact O-OG1 2.89Å
999	L	42.2	Very low	54.1	Low	57 Å²	57	84.9 Å²	84.9	30%	0.298	50%	0.501	S	S	.	.	S	Bend	trans	-109.2	8.7	-156.2	-99.5	151.4	0	0	0	115.8	F981 L994 D995 F996 S997	F981-L999 HydrophobicContact CB-CD2 3.86Å; L994-L999 HydrophobicContact CB-CD1 4.29Å; D995-L999 WeakPolarHBondContact O-CD1 3.29Å; F996-L999 PolarHBondContact O-N 2.91Å; S997-L999 VanDerWaalsContact C-N 3.28Å; S997-L999 PolarHBondContact O-N 2.73Å
1000	L	56	Low	56.7	Low	27 Å²	27	81.7 Å²	81.7	14%	0.141	47%	0.472	C	S	.	.			trans	-134.8	75.9	172.4	-74.9	163.8	0	0	0	109.9	I962 R966 F981 Y1002	I962-L1000 HydrophobicContact CG2-CD1 4.44Å; I962-L1000 HydrophobicContact CG2-CD2 4.16Å; R966-L1000 VanDerWaalsContact NH1-CD1 3.32Å; F981-L1000 HydrophobicContact CD1-CD2 4.13Å; F981-L1000 HydrophobicContact CE1-CD2 3.58Å; F981-L1000 HydrophobicContact CZ-CD2 4.37Å; L1000-Y1002 HydrophobicContact CB-CE1 4.17Å; L1000-Y1002 HydrophobicContact CB-CE2 4.06Å; L1000-Y1002 HydrophobicContact CD1-CE1 4.49Å; L1000-Y1002 HydrophobicContact CD2-CE1 4.36Å; L1000-Y1002 WeakPolarHBondContact O-CD2 3.45Å; L1000-Y1002 PolarHBondContact O-N 2.72Å
1001	N	64.3	Low	59.3	Low	124 Å²	124	76.7 Å²	76.7	66%	0.663	44%	0.438	S	S	*	.			trans	-71.9	80.4	170.4	-166	11.6	0	0	0	109	G1003 S1004	N1001-G1003 PolarHBondContact O-N 2.81Å; N1001-S1004 WeakPolarHBondContact O-CB 3.46Å; N1001-S1004 PolarHBondContact O-N 3.45Å
1002	Y	70.3	Confident	62.1	Low	51 Å²	51	73.8 Å²	73.8	20%	0.2	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	129.1	178.8	-59.8	-71.6	0	0	0	109.7	Q958 T959 I962 L1000 L1007	Q958-Y1002 HydrophobicContact CB-CD1 4.43Å; T959-Y1002 HydrophobicContact CG2-CE1 4.35Å; T959-Y1002 HydrophobicContact CG2-CE2 4.1Å; I962-Y1002 HydrophobicContact CB-CE1 4.28Å; I962-Y1002 HydrophobicContact CD1-CD1 4.15Å; I962-Y1002 HydrophobicContact CD1-CE1 3.91Å; I962-Y1002 HydrophobicContact CG2-CE1 4.38Å; L1000-Y1002 HydrophobicContact CB-CE1 4.17Å; L1000-Y1002 HydrophobicContact CB-CE2 4.06Å; L1000-Y1002 HydrophobicContact CD1-CE1 4.49Å; L1000-Y1002 HydrophobicContact CD2-CE1 4.36Å; L1000-Y1002 WeakPolarHBondContact O-CD2 3.45Å; L1000-Y1002 PolarHBondContact O-N 2.72Å; Y1002-L1007 HydrophobicContact CD1-CD2 4.07Å
1003	G	69.7	Low	64.8	Low	34 Å²	34	77 Å²	77	35%	0.351	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-7.7	-171.7	0	0	0	0	0	114.4	N1001	N1001-G1003 PolarHBondContact O-N 2.81Å
1004	S	78.5	Confident	67.3	Low	22 Å²	22	71.3 Å²	71.3	15%	0.154	38%	0.382	C	S	.	.			trans	-65.3	148.8	177.2	95.2	0	0	0	0	112	N1001 E1006 L1007 V1008	N1001-S1004 WeakPolarHBondContact O-CB 3.46Å; N1001-S1004 PolarHBondContact O-N 3.45Å; S1004-E1006 WeakPolarHBondContact CB-OE2 3.45Å; S1004-E1006 PolarHBondContact O-N 3.24Å; S1004-E1006 PolarHBondContact OG-OE2 3.28Å; S1004-L1007 PolarHBondContact O-N 3.19Å; S1004-L1007 PolarHBondContact OG-N 2.82Å; S1004-V1008 WeakPolarHBondContact O-CG2 3.44Å; S1004-V1008 PolarHBondContact O-N 3.41Å; S1004-V1008 VanDerWaalsContact O-N 3.12Å
1005	T	80	Confident	70.2	Confident	93 Å²	93	65 Å²	65	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-61.3	-34.8	-179.8	-50.4	0	0	0	0	111.5	V1008 N1009	T1005-V1008 PolarHBondContact O-N 3.05Å; T1005-N1009 PolarHBondContact O-N 3.45Å; T1005-N1009 PolarHBondContact O-ND2 2.91Å
1006	E	75.1	Confident	72.7	Confident	130 Å²	130	65.9 Å²	65.9	61%	0.607	36%	0.356	S	S	*	.	H	α-helix	trans	-62.4	-45.2	178.4	-57.5	73.1	-156.9	0	0	110.9	S1004 N1009 Y1010	S1004-E1006 WeakPolarHBondContact CB-OE2 3.45Å; S1004-E1006 PolarHBondContact O-N 3.24Å; S1004-E1006 PolarHBondContact OG-OE2 3.28Å; E1006-N1009 PolarHBondContact O-N 3.25Å; E1006-Y1010 PolarHBondContact O-N 3.18Å
1007	L	79.7	Confident	74.8	Confident	15 Å²	15	67.9 Å²	67.9	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-68.6	-37.4	179.2	-175.3	57	0	0	0	111.9	Q958 I962 Y1002 S1004 Y1010 L1011	Q958-L1007 HydrophobicContact CB-CD2 4.4Å; Q958-L1007 VanDerWaalsContact OE1-CD2 3.27Å; I962-L1007 HydrophobicContact CD1-CD1 3.65Å; I962-L1007 HydrophobicContact CD1-CD2 3.49Å; I962-L1007 VanDerWaalsContact CD1-CD2 3.49Å; I962-L1007 HydrophobicContact CD1-CG 4Å; Y1002-L1007 HydrophobicContact CD1-CD2 4.07Å; S1004-L1007 PolarHBondContact O-N 3.19Å; S1004-L1007 PolarHBondContact OG-N 2.82Å; L1007-Y1010 HydrophobicContact CD1-CD1 4.27Å; L1007-Y1010 PolarHBondContact O-N 3.32Å; L1007-L1011 HydrophobicContact CD1-CD1 4.36Å; L1007-L1011 HydrophobicContact CD1-CG 4.29Å; L1007-L1011 HydrophobicContact CG-CD1 4.27Å; L1007-L1011 WeakPolarHBondContact O-CG 3.08Å; L1007-L1011 PolarHBondContact O-N 2.89Å
1008	V	84.2	Confident	77	Confident	17 Å²	17	65.8 Å²	65.8	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-50.2	172.9	169.7	0	0	0	0	110.5	I952 T953 Q958 S1004 T1005 Y1010 L1011 Q1012	I952-V1008 HydrophobicContact CG2-CB 4.41Å; I952-V1008 HydrophobicContact CG2-CG1 4.1Å; T953-V1008 HydrophobicContact CG2-CG1 4.4Å; Q958-V1008 VanDerWaalsContact NE2-CG2 3.3Å; S1004-V1008 WeakPolarHBondContact O-CG2 3.44Å; S1004-V1008 PolarHBondContact O-N 3.41Å; S1004-V1008 VanDerWaalsContact O-N 3.12Å; T1005-V1008 PolarHBondContact O-N 3.05Å; V1008-Y1010 PolarHBondContact O-N 2.99Å; V1008-L1011 PolarHBondContact O-N 2.85Å; V1008-Q1012 HydrophobicContact CG1-CG 4.38Å; V1008-Q1012 WeakPolarHBondContact O-CB 3.34Å; V1008-Q1012 VanDerWaalsContact O-CG 3.26Å; V1008-Q1012 WeakPolarHBondContact O-CG 3.25Å; V1008-Q1012 PolarHBondContact O-N 3.37Å
1009	N	84.3	Confident	79.5	Confident	88 Å²	88	67 Å²	67	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-44.9	-179.3	-69	-19.8	0	0	0	111.6	T1005 E1006 Q1012 E1013	T1005-N1009 PolarHBondContact O-N 3.45Å; T1005-N1009 PolarHBondContact O-ND2 2.91Å; E1006-N1009 PolarHBondContact O-N 3.25Å; N1009-Q1012 PolarHBondContact O-N 3.31Å; N1009-E1013 PolarHBondContact O-N 2.65Å
1010	Y	84.2	Confident	81.8	Confident	45 Å²	45	66.7 Å²	66.7	18%	0.176	35%	0.353	C	S	.	.	H	α-helix	trans	-59.7	-49.2	177.1	170.6	-107.8	0	0	0	112.3	W899 L903 C980 E1006 L1007 V1008 Q1012 E1013 V1014	W899-Y1010 VanDerWaalsContact CD1-OH 3.27Å; W899-Y1010 AromaticContact NE1-CZ 3.98Å; W899-Y1010 PolarHBondContact NE1-OH 2.86Å; L903-Y1010 HydrophobicContact CD1-CE1 4.09Å; C980-Y1010 WeakPolarHBondContact SG-CE2 3.34Å; C980-Y1010 PolarHBondContact SG-OH 2.75Å; C980-Y1010 VanDerWaalsContact SG-OH 3.35Å; E1006-Y1010 PolarHBondContact O-N 3.18Å; L1007-Y1010 HydrophobicContact CD1-CD1 4.27Å; L1007-Y1010 PolarHBondContact O-N 3.32Å; V1008-Y1010 PolarHBondContact O-N 2.99Å; Y1010-Q1012 VanDerWaalsContact C-N 3.33Å; Y1010-Q1012 PolarHBondContact O-N 3.05Å; Y1010-E1013 PolarHBondContact O-N 2.94Å; Y1010-V1014 HydrophobicContact CD2-CG2 4.22Å; Y1010-V1014 HydrophobicContact CE1-CG2 4.12Å; Y1010-V1014 HydrophobicContact CE2-CG2 3.67Å; Y1010-V1014 WeakPolarHBondContact O-CG2 3.33Å; Y1010-V1014 PolarHBondContact O-N 3.05Å
1011	L	87.5	Confident	83.4	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-67.7	-33.4	179.7	-69.5	176.9	0	0	0	112.3	L903 I952 Q958 I962 L1007 V1008 V1014 F1015	L903-L1011 HydrophobicContact CD2-CD2 4.27Å; I952-L1011 HydrophobicContact CG2-CB 3.83Å; I952-L1011 HydrophobicContact CG2-CD1 4.46Å; Q958-L1011 HydrophobicContact CB-CD1 4.38Å; Q958-L1011 HydrophobicContact CG-CD1 3.98Å; I962-L1011 HydrophobicContact CD1-CD1 4.46Å; L1007-L1011 HydrophobicContact CD1-CD1 4.36Å; L1007-L1011 HydrophobicContact CD1-CG 4.29Å; L1007-L1011 HydrophobicContact CG-CD1 4.27Å; L1007-L1011 WeakPolarHBondContact O-CG 3.08Å; L1007-L1011 PolarHBondContact O-N 2.89Å; V1008-L1011 PolarHBondContact O-N 2.85Å; L1011-V1014 PolarHBondContact O-N 3.29Å; L1011-F1015 HydrophobicContact CB-CD2 4.24Å; L1011-F1015 HydrophobicContact CB-CE2 4.23Å; L1011-F1015 HydrophobicContact CD2-CE2 4Å; L1011-F1015 HydrophobicContact CD2-CZ 4.48Å; L1011-F1015 WeakPolarHBondContact O-CB 3.3Å; L1011-F1015 WeakPolarHBondContact O-CD2 3.5Å; L1011-F1015 WeakPolarHBondContact O-CG 3.4Å; L1011-F1015 PolarHBondContact O-N 3.15Å
1012	Q	89.2	Confident	84.8	Confident	93 Å²	93	69.4 Å²	69.4	44%	0.435	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-44.3	172.5	-78.3	175.3	-10.6	0	0	111.6	I952 V1008 N1009 Y1010 F1015 V1016	I952-Q1012 HydrophobicContact CD1-CB 4.49Å; I952-Q1012 HydrophobicContact CD1-CG 3.72Å; I952-Q1012 HydrophobicContact CG2-CG 4.15Å; V1008-Q1012 HydrophobicContact CG1-CG 4.38Å; V1008-Q1012 WeakPolarHBondContact O-CB 3.34Å; V1008-Q1012 VanDerWaalsContact O-CG 3.26Å; V1008-Q1012 WeakPolarHBondContact O-CG 3.25Å; V1008-Q1012 PolarHBondContact O-N 3.37Å; N1009-Q1012 PolarHBondContact O-N 3.31Å; Y1010-Q1012 VanDerWaalsContact C-N 3.33Å; Y1010-Q1012 PolarHBondContact O-N 3.05Å; Q1012-F1015 PolarHBondContact O-N 2.83Å; Q1012-V1016 PolarHBondContact O-N 2.97Å
1013	E	87.7	Confident	85.9	Confident	147 Å²	147	69.3 Å²	69.3	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-62.9	-47	176.1	-171.7	-176.7	171.5	0	0	111.4	N1009 Y1010 F1015 V1016	N1009-E1013 PolarHBondContact O-N 2.65Å; Y1010-E1013 PolarHBondContact O-N 2.94Å; E1013-F1015 VanDerWaalsContact C-N 3.34Å; E1013-F1015 PolarHBondContact O-N 3.47Å; E1013-V1016 VanDerWaalsContact O-CG1 3.25Å; E1013-V1016 WeakPolarHBondContact O-CG1 3.2Å; E1013-V1016 PolarHBondContact O-N 3.46Å
1014	V	87.7	Confident	87	Confident	12 Å²	12	73 Å²	73	7%	0.073	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-41.1	179.3	172.9	0	0	0	0	111.9	L903 Y904 Y1010 L1011	L903-V1014 HydrophobicContact CB-CG1 4.3Å; L903-V1014 HydrophobicContact CD1-CG1 3.85Å; L903-V1014 HydrophobicContact CD1-CG2 4.26Å; Y904-V1014 HydrophobicContact CE1-CG1 3.8Å; Y904-V1014 VanDerWaalsContact CE1-O 3.31Å; Y904-V1014 WeakPolarHBondContact CE1-O 3.15Å; Y904-V1014 PolarHBondContact OH-O 2.85Å; Y1010-V1014 HydrophobicContact CD2-CG2 4.22Å; Y1010-V1014 HydrophobicContact CE1-CG2 4.12Å; Y1010-V1014 HydrophobicContact CE2-CG2 3.67Å; Y1010-V1014 WeakPolarHBondContact O-CG2 3.33Å; Y1010-V1014 PolarHBondContact O-N 3.05Å; L1011-V1014 PolarHBondContact O-N 3.29Å
1015	F	92.7	Very high	87.5	Confident	20 Å²	20	75 Å²	75	9%	0.088	40%	0.398	C	S	.	.	H	α-helix	trans	-91.3	3.2	-175.7	-63.4	-44.6	0	0	0	114.9	L903 Y904 R907 Y950 I952 V961 L1011 Q1012 E1013 N1017 Y1018	L903-F1015 HydrophobicContact CB-CE1 4.14Å; L903-F1015 HydrophobicContact CB-CZ 4.17Å; Y904-F1015 AromaticContact CD1-CD1 3.88Å; Y904-F1015 HydrophobicContact CD1-CD1 3.88Å; Y904-F1015 AromaticContact CD1-CE1 3.84Å; Y904-F1015 HydrophobicContact CD1-CE1 3.84Å; Y904-F1015 AromaticContact CE1-CD1 3.92Å; Y904-F1015 HydrophobicContact CE1-CD1 3.92Å; Y904-F1015 HydrophobicContact CE1-CE1 4.23Å; R907-F1015 HydrophobicContact CB-CE1 3.96Å; R907-F1015 HydrophobicContact CB-CZ 4Å; R907-F1015 HydrophobicContact CG-CE1 4.35Å; R907-F1015 HydrophobicContact CG-CZ 4.42Å; Y950-F1015 HydrophobicContact CE1-CD2 4.47Å; Y950-F1015 HydrophobicContact CE1-CE2 4.35Å; I952-F1015 HydrophobicContact CD1-CD2 4.43Å; V961-F1015 HydrophobicContact CG1-CE2 4.34Å; V961-F1015 HydrophobicContact CG1-CZ 3.9Å; L1011-F1015 HydrophobicContact CB-CD2 4.24Å; L1011-F1015 HydrophobicContact CB-CE2 4.23Å; L1011-F1015 HydrophobicContact CD2-CE2 4Å; L1011-F1015 HydrophobicContact CD2-CZ 4.48Å; L1011-F1015 WeakPolarHBondContact O-CB 3.3Å; L1011-F1015 WeakPolarHBondContact O-CD2 3.5Å; L1011-F1015 WeakPolarHBondContact O-CG 3.4Å; L1011-F1015 PolarHBondContact O-N 3.15Å; Q1012-F1015 PolarHBondContact O-N 2.83Å; E1013-F1015 VanDerWaalsContact C-N 3.34Å; E1013-F1015 PolarHBondContact O-N 3.47Å; F1015-N1017 PolarHBondContact O-N 3.43Å; F1015-N1017 VanDerWaalsContact O-N 3.1Å; F1015-Y1018 HydrophobicContact CD1-CD1 4.26Å; F1015-Y1018 AromaticContact CD1-CG 3.98Å; F1015-Y1018 HydrophobicContact CD1-CG 3.98Å; F1015-Y1018 PolarHBondContact O-N 3.43Å
1016	V	89.3	Confident	87.7	Confident	106 Å²	106	72.3 Å²	72.3	64%	0.642	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-35.7	-176.8	72.2	0	0	0	0	113.4	Q1012 E1013	Q1012-V1016 PolarHBondContact O-N 2.97Å; E1013-V1016 VanDerWaalsContact O-CG1 3.25Å; E1013-V1016 WeakPolarHBondContact O-CG1 3.2Å; E1013-V1016 PolarHBondContact O-N 3.46Å
1017	N	85.9	Confident	88.1	Confident	143 Å²	143	74 Å²	74	77%	0.765	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	7.8	179.3	-64.8	-40.1	0	0	0	113.3	F1015	F1015-N1017 PolarHBondContact O-N 3.43Å; F1015-N1017 VanDerWaalsContact O-N 3.1Å
1018	Y	90.2	Very high	88.1	Confident	37 Å²	37	81 Å²	81	15%	0.145	43%	0.427	C	S	.	.			trans	-82.9	124.9	-178.3	171.4	-90.9	0	0	0	110.6	Y904 R907 D908 F1015 P1020	Y904-Y1018 AromaticContact CD1-CD2 3.38Å; Y904-Y1018 HydrophobicContact CD1-CD2 3.38Å; Y904-Y1018 HydrophobicContact CD1-CE2 4.13Å; Y904-Y1018 AromaticContact CD1-CG 4Å; Y904-Y1018 HydrophobicContact CD1-CG 4Å; Y904-Y1018 HydrophobicContact CE1-CD2 4.13Å; Y904-Y1018 HydrophobicContact CE1-CG 4.42Å; Y904-Y1018 AromaticContact CG-CD2 3.76Å; Y904-Y1018 HydrophobicContact CG-CD2 3.76Å; Y904-Y1018 HydrophobicContact CG-CE2 4.23Å; R907-Y1018 HydrophobicContact CB-CE1 4.02Å; R907-Y1018 HydrophobicContact CB-CE2 4.4Å; R907-Y1018 HydrophobicContact CG-CD1 3.91Å; R907-Y1018 HydrophobicContact CG-CE1 3.17Å; R907-Y1018 HydrophobicContact CG-CE2 4.4Å; R907-Y1018 VanDerWaalsContact CG-CZ 3.45Å; R907-Y1018 WeakPolarHBondContact CG-OH 3.48Å; D908-Y1018 WeakPolarHBondContact CA-OH 3.21Å; D908-Y1018 PolarHBondContact N-OH 3.35Å; D908-Y1018 VanDerWaalsContact N-OH 3.08Å; D908-Y1018 PolarHBondContact OD1-OH 2.88Å; F1015-Y1018 HydrophobicContact CD1-CD1 4.26Å; F1015-Y1018 AromaticContact CD1-CG 3.98Å; F1015-Y1018 HydrophobicContact CD1-CG 3.98Å; F1015-Y1018 PolarHBondContact O-N 3.43Å; Y1018-P1020 HydrophobicContact CE1-CB 3.91Å
1019	I	91.5	Very high	88.1	Confident	146 Å²	146	85.6 Å²	85.6	75%	0.749	45%	0.447	S	S	*	.			trans	-107.9	114.7	177.4	-57.3	175.1	0	0	0	108.6
1020	P	89.4	Confident	88	Confident	50 Å²	50	82.9 Å²	82.9	33%	0.325	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-67.4	151.4	178	27.2	-33.2	0	0	0	111.6	Q911 Y1018	Q911-P1020 HydrophobicContact CG-CB 4.46Å; Y1018-P1020 HydrophobicContact CE1-CB 3.91Å
1021	P	91.1	Very high	88	Confident	54 Å²	54	82.4 Å²	82.4	35%	0.351	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-66.2	142.8	-179.7	25	-33.5	0	0	0	110.8	D908 Q911 H916	D908-P1021 WeakPolarHBondContact OD1-CD 3.43Å; D908-P1021 WeakPolarHBondContact OD1-CG 3.49Å; Q911-P1021 HydrophobicContact CB-CG 4.38Å; Q911-P1021 HydrophobicContact CG-CG 4.25Å; H916-P1021 PolarHBondContact CE1-O 2.79Å; H916-P1021 PolarHBondContact NE2-O 3.31Å
1022	I	92.9	Very high	87.7	Confident	154 Å²	154	84 Å²	84	79%	0.79	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-80.8	138.8	179.2	-58	173.9	0	0	0	109.7
1023	F	93.1	Very high	87.1	Confident	49 Å²	49	83.3 Å²	83.3	22%	0.215	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-71.6	128.3	174.1	175.2	-112.6	0	0	0	110.8	H916 R919 Q920 P1025	H916-F1023 HydrophobicContact CB-CD2 3.79Å; H916-F1023 HydrophobicContact CB-CE2 4.4Å; H916-F1023 AromaticContact CG-CD2 3.87Å; H916-F1023 WeakPolarHBondContact O-CE2 3.09Å; R919-F1023 HydrophobicContact CB-CD1 3.93Å; R919-F1023 HydrophobicContact CB-CD2 4.23Å; R919-F1023 HydrophobicContact CB-CE1 3.66Å; R919-F1023 HydrophobicContact CB-CE2 4Å; R919-F1023 HydrophobicContact CB-CG 4.2Å; R919-F1023 HydrophobicContact CB-CZ 3.7Å; Q920-F1023 HydrophobicContact CB-CE2 4.03Å; Q920-F1023 HydrophobicContact CB-CZ 4.22Å; F1023-P1025 HydrophobicContact CE1-CB 4.11Å; F1023-P1025 HydrophobicContact CZ-CB 4.03Å
1024	T	91.8	Very high	86.1	Confident	112 Å²	112	81.6 Å²	81.6	69%	0.687	44%	0.435	S	S	*	.			trans	-124.1	121.2	168.2	-52.5	0	0	0	0	108.3
1025	P	88.9	Confident	85.2	Confident	63 Å²	63	87.9 Å²	87.9	41%	0.409	47%	0.468	S	S	.	.			trans	-64.8	150.9	179.8	26.3	-32.9	0	0	0	111.3	F1023	F1023-P1025 HydrophobicContact CE1-CB 4.11Å; F1023-P1025 HydrophobicContact CZ-CB 4.03Å
1026	S	86.3	Confident	83.9	Confident	38 Å²	38	89.9 Å²	89.9	27%	0.266	48%	0.477	S	S	.	.			trans	-128	151.4	177.3	69.9	0	0	0	0	111.7	Q920 K1028	Q920-S1026 PolarHBondContact NE2-O 2.96Å; Q920-S1026 PolarHBondContact OE1-OG 3.08Å; S1026-K1028 PolarHBondContact O-N 3.42Å
1027	N	83.1	Confident	82.1	Confident	164 Å²	164	90.3 Å²	90.3	88%	0.877	48%	0.483	S	S	*	.			trans	-87.8	26.8	176.4	-64.5	-16	0	0	0	112.6
1028	K	78.8	Confident	80.2	Confident	163 Å²	163	91.7 Å²	91.7	71%	0.709	48%	0.482	S	S	*	.			trans	-72.1	132.4	-179	-72.6	-177.5	178.6	177.5	0	110.4	S1026 I1030	S1026-K1028 PolarHBondContact O-N 3.42Å; K1028-I1030 PolarHBondContact O-N 3.43Å
1029	H	83.7	Confident	77.6	Confident	113 Å²	113	94.2 Å²	94.2	52%	0.523	50%	0.503	S	S	.	.			trans	-58.8	133.1	175.1	-172.1	-89.2	0	0	0	111.9	E1036	H1029-E1036 IonicContact CE1-OE1 2.75Å; H1029-E1036 IonicContact NE2-OE1 2.8Å
1030	I	83.9	Confident	74.6	Confident	32 Å²	32	95.5 Å²	95.5	16%	0.164	51%	0.506	C	S	.	.			trans	-113.5	116.4	174.4	-59.5	179.7	0	0	0	107.4	L921 S924 F925 K1028 T1032	L921-I1030 HydrophobicContact CD1-CD1 3.72Å; L921-I1030 HydrophobicContact CD1-CG2 4.05Å; S924-I1030 WeakPolarHBondContact OG-CD1 3.44Å; F925-I1030 HydrophobicContact CE2-CB 3.94Å; F925-I1030 HydrophobicContact CE2-CD1 4.35Å; F925-I1030 HydrophobicContact CE2-CG2 4.05Å; F925-I1030 HydrophobicContact CZ-CB 4.35Å; K1028-I1030 PolarHBondContact O-N 3.43Å; I1030-T1032 PolarHBondContact O-N 3.44Å
1031	V	83.4	Confident	71.7	Confident	34 Å²	34	101.6 Å²	101.6	21%	0.206	53%	0.53	C	S	.	.			trans	-63.3	128.7	177.3	-179.4	0	0	0	0	109.9	D1033	V1031-D1033 WeakPolarHBondContact CG1-O 3.5Å
1032	T	82.2	Confident	68.5	Low	33 Å²	33	104.1 Å²	104.1	20%	0.202	54%	0.544	C	S	.	.			trans	-106.7	-23.2	-175.2	60.9	0	0	0	0	114.2	F764 F925 F937 I1030 E1036	F764-T1032 HydrophobicContact CZ-CG2 4.46Å; F925-T1032 HydrophobicContact CE1-CG2 3.92Å; F925-T1032 HydrophobicContact CE2-CG2 4.08Å; F925-T1032 HydrophobicContact CZ-CG2 3.38Å; F937-T1032 HydrophobicContact CE2-CG2 4.04Å; F937-T1032 HydrophobicContact CZ-CG2 4.27Å; I1030-T1032 PolarHBondContact O-N 3.44Å; T1032-E1036 PolarHBondContact N-OE2 3.21Å; T1032-E1036 PolarHBondContact OG1-OE2 2.96Å; T1032-E1036 VanDerWaalsContact OG1-OE2 3.12Å
1033	D	75.7	Confident	65.3	Low	80 Å²	80	104.1 Å²	104.1	43%	0.428	54%	0.544	S	S	.	.			trans	-140.7	154.6	178	-171.2	1.2	0	0	0	110.1	V1031 E1036	V1031-D1033 WeakPolarHBondContact CG1-O 3.5Å; D1033-E1036 HydrophobicContact CB-CB 4.42Å; D1033-E1036 WeakPolarHBondContact O-CB 3.33Å; D1033-E1036 PolarHBondContact O-N 3.45Å
1034	E	67.1	Low	62	Low	111 Å²	111	106.5 Å²	106.5	52%	0.519	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.4	-31.5	176.5	-64.2	-157.1	126.8	0	0	113.3	P757 Y758 E1036	P757-E1034 VanDerWaalsContact CA-CD 3.5Å; P757-E1034 WeakPolarHBondContact CA-OE1 3.4Å; P757-E1034 HydrophobicContact CB-CG 3.77Å; Y758-E1034 PolarHBondContact N-OE1 2.92Å; E1034-E1036 PolarHBondContact O-N 3.26Å
1035	N	67.5	Low	58.8	Low	143 Å²	143	106.6 Å²	106.6	77%	0.765	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-4.6	178.6	-63.3	-45.6	0	0	0	112.7	P1037	N1035-P1037 WeakPolarHBondContact O-CD 3.44Å
1036	E	65.8	Low	55.8	Low	62 Å²	62	108.2 Å²	108.2	29%	0.29	58%	0.577	S	S	.	*	S	Bend	trans	-67.2	121.2	176.1	-160.5	174.2	-169.2	0	0	108.8	H1029 T1032 D1033 E1034 K1038	H1029-E1036 IonicContact CE1-OE1 2.75Å; H1029-E1036 IonicContact NE2-OE1 2.8Å; T1032-E1036 PolarHBondContact N-OE2 3.21Å; T1032-E1036 PolarHBondContact OG1-OE2 2.96Å; T1032-E1036 VanDerWaalsContact OG1-OE2 3.12Å; D1033-E1036 HydrophobicContact CB-CB 4.42Å; D1033-E1036 WeakPolarHBondContact O-CB 3.33Å; D1033-E1036 PolarHBondContact O-N 3.45Å; E1034-E1036 PolarHBondContact O-N 3.26Å; E1036-K1038 PolarHBondContact O-N 3.44Å
1037	P	52.1	Low	53	Low	116 Å²	116	111 Å²	111	75%	0.753	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-58.4	116.6	-178.2	21.3	-30.4	0	0	0	109	N1035	N1035-P1037 WeakPolarHBondContact O-CD 3.44Å
1038	K	45.4	Very low	50.4	Low	171 Å²	171	110.1 Å²	110.1	74%	0.743	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-52.9	131.9	172.7	-72.7	177.8	-176.3	168.2	0	107.1	E1036 Q1040	E1036-K1038 PolarHBondContact O-N 3.44Å; K1038-Q1040 PolarHBondContact O-N 3.22Å
1039	P	35.6	Very low	47.9	Very low	90 Å²	90	106.8 Å²	106.8	58%	0.584	60%	0.597	S	S	*	*			trans	-52.7	115.6	168.9	-19.2	28.5	0	0	0	106.7	Q1041	P1039-Q1041 VanDerWaalsContact C-N 3.26Å; P1039-Q1041 PolarHBondContact O-N 3.27Å
1040	Q	28.4	Very low	45.4	Very low	174 Å²	174	109 Å²	109	81%	0.813	61%	0.612	S	S	*	*			trans	-59.4	99.6	171.6	-79	178.2	-16.7	0	0	105.5	K1038 T1042	K1038-Q1040 PolarHBondContact O-N 3.22Å; Q1040-T1042 PolarHBondContact O-N 2.98Å
1041	Q	29.2	Very low	42.9	Very low	178 Å²	178	113.7 Å²	113.7	83%	0.832	65%	0.645	S	S	*	*			trans	-66.2	96.7	151.4	-79.5	-172.8	-14.5	0	0	103.9	P1039 I1043	P1039-Q1041 VanDerWaalsContact C-N 3.26Å; P1039-Q1041 PolarHBondContact O-N 3.27Å; Q1041-I1043 PolarHBondContact O-N 3.46Å
1042	T	22.9	Very low	40.2	Very low	107 Å²	107	121.3 Å²	121.3	66%	0.656	68%	0.675	S	S	*	*			trans	-55.5	89.1	169.8	10.4	0	0	0	0	107.5	Q1040 T1044	Q1040-T1042 PolarHBondContact O-N 2.98Å; T1042-T1044 HydrophobicContact CG2-CG2 4.08Å; T1042-T1044 PolarHBondContact O-N 3.23Å; T1042-T1044 VanDerWaalsContact O-N 3.15Å
1043	I	25.8	Very low	37.9	Very low	154 Å²	154	126.6 Å²	126.6	79%	0.79	70%	0.702	S	S	*	*			trans	-80.7	76.6	154.7	-55.5	175.6	0	0	0	103.9	Q1041 S1045	Q1041-I1043 PolarHBondContact O-N 3.46Å; I1043-S1045 VanDerWaalsContact C-N 3.34Å; I1043-S1045 PolarHBondContact O-N 2.79Å; I1043-S1045 VanDerWaalsContact O-N 3.08Å
1044	T	24.2	Very low	35.7	Very low	98 Å²	98	129.5 Å²	129.5	60%	0.601	72%	0.717	S	S	*	*			trans	-70.4	99.6	164.6	39.4	0	0	0	0	106.8	T1042 T1046	T1042-T1044 HydrophobicContact CG2-CG2 4.08Å; T1042-T1044 PolarHBondContact O-N 3.23Å; T1042-T1044 VanDerWaalsContact O-N 3.15Å; T1044-T1046 PolarHBondContact O-N 3.31Å
1045	S	25.4	Very low	33.9	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	73%	0.733	S	S	*	*			trans	-65.4	80.1	159.8	47.9	0	0	0	0	108.9	I1043	I1043-S1045 VanDerWaalsContact C-N 3.34Å; I1043-S1045 PolarHBondContact O-N 2.79Å; I1043-S1045 VanDerWaalsContact O-N 3.08Å
1046	T	26.3	Very low	32.1	Very low	97 Å²	97	133.3 Å²	133.3	60%	0.595	74%	0.735	S	S	*	*			trans	-143.2	120.8	166.2	42.9	0	0	0	0	107	T1044	T1044-T1046 PolarHBondContact O-N 3.31Å
1047	S	26.3	Very low	30.7	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	76%	0.755	S	S	*	*			trans	9.2	132.7	154.6	48.9	0	0	0	0	116.9	S1049	S1047-S1049 VanDerWaalsContact C-N 3.33Å; S1047-S1049 PolarHBondContact O-N 3.04Å
1048	P	27.9	Very low	29.9	Very low	145 Å²	145	137.4 Å²	137.4	94%	0.942	76%	0.756	S	S	*	*			trans	-67	87.8	-173.8	30.5	-34.3	0	0	0	111.1
1049	S	28.1	Very low	30	Very low	93 Å²	93	134.8 Å²	134.8	65%	0.65	75%	0.747	S	S	*	*			trans	-102.4	125.7	161.1	56.9	0	0	0	0	107.6	S1047	S1047-S1049 VanDerWaalsContact C-N 3.33Å; S1047-S1049 PolarHBondContact O-N 3.04Å
1050	L	30	Very low	31	Very low	159 Å²	159	132 Å²	132	83%	0.832	73%	0.73	S	S	*	*			trans	-44.5	129.6	179.4	-83.7	92.3	0	0	0	112	K1052	L1050-K1052 PolarHBondContact O-N 3.28Å; L1050-K1052 VanDerWaalsContact O-N 3.16Å
1051	P	30.7	Very low	32.5	Very low	132 Å²	132	128.8 Å²	128.8	86%	0.857	72%	0.717	S	S	*	*			trans	-70.6	110.5	165.9	-2.4	18.1	0	0	0	108.6
1052	K	28.3	Very low	34.4	Very low	194 Å²	194	122.4 Å²	122.4	84%	0.843	69%	0.686	S	S	*	*			trans	-82.4	109.3	154.9	-70.3	-179.9	178.9	178.5	0	106.4	L1050	L1050-K1052 PolarHBondContact O-N 3.28Å; L1050-K1052 VanDerWaalsContact O-N 3.16Å
1053	D	32.6	Very low	36.6	Very low	143 Å²	143	120.1 Å²	120.1	77%	0.765	67%	0.665	S	S	*	*	S	Bend	trans	164.1	112.8	138.2	-84.1	-22.4	0	0	0	110.7	D1055	D1053-D1055 PolarHBondContact O-N 2.89Å
1054	N	29.2	Very low	38.8	Very low	142 Å²	142	112.8 Å²	112.8	76%	0.759	63%	0.628	S	S	*	*			trans	41.2	73	142.9	-59	-21	0	0	0	118.5
1055	D	31.2	Very low	40.8	Very low	160 Å²	160	109.7 Å²	109.7	86%	0.856	61%	0.607	S	S	*	*			trans	-137.1	117.3	138.5	-125.7	-14.4	0	0	0	108.3	D1053 T1057	D1053-D1055 PolarHBondContact O-N 2.89Å; D1055-T1057 VanDerWaalsContact C-N 3.27Å; D1055-T1057 PolarHBondContact O-N 3.31Å
1056	H	29	Very low	42.7	Very low	174 Å²	174	105 Å²	105	81%	0.806	57%	0.572	S	S	*	*	S	Bend	trans	-72.5	77.1	-172.3	-77.5	-71	0	0	0	111.3
1057	T	35.4	Very low	44.2	Very low	115 Å²	115	102.7 Å²	102.7	71%	0.706	56%	0.56	S	S	*	*			trans	-148.3	86.3	152.2	-44.6	0	0	0	0	106.4	D1055 M1059	D1055-T1057 VanDerWaalsContact C-N 3.27Å; D1055-T1057 PolarHBondContact O-N 3.31Å; T1057-M1059 VanDerWaalsContact C-N 3.31Å; T1057-M1059 PolarHBondContact O-N 2.99Å
1058	I	36.7	Very low	45.4	Very low	148 Å²	148	101.1 Å²	101.1	76%	0.759	54%	0.544	S	S	*	.			trans	-60.7	99.4	173	-62.3	172.5	0	0	0	106.1	S1060	I1058-S1060 PolarHBondContact O-N 3.39Å; I1058-S1060 VanDerWaalsContact O-N 3.12Å
1059	M	47.7	Very low	46.5	Very low	116 Å²	116	98.6 Å²	98.6	57%	0.571	53%	0.528	S	S	*	.			trans	-67.6	110.1	171.3	-71.1	-161.5	-172.9	0	0	106.8	T1057 M1061	T1057-M1059 VanDerWaalsContact C-N 3.31Å; T1057-M1059 PolarHBondContact O-N 2.99Å; M1059-M1061 PolarHBondContact O-N 2.86Å
1060	S	55.9	Low	47.5	Very low	33 Å²	33	98.3 Å²	98.3	23%	0.231	53%	0.526	C	S	.	.			trans	-53.6	125.4	170.5	25.9	0	0	0	0	109	I1058 E1089	I1058-S1060 PolarHBondContact O-N 3.39Å; I1058-S1060 VanDerWaalsContact O-N 3.12Å; S1060-E1089 WeakPolarHBondContact CB-OE1 3.42Å; S1060-E1089 PolarHBondContact O-N 3.44Å; S1060-E1089 WeakPolarHBondContact OG-CG 3.24Å; S1060-E1089 PolarHBondContact OG-OE1 2.94Å; S1060-E1089 PolarHBondContact OG-OE2 3.43Å
1061	M	58.9	Low	47.9	Very low	106 Å²	106	96.5 Å²	96.5	52%	0.522	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.6	169.6	-65.3	-168	-167	0	0	108.8	M1059 L1087	M1059-M1061 PolarHBondContact O-N 2.86Å; M1061-L1087 WeakPolarHBondContact CA-O 3.18Å
1062	K	69.7	Low	48.4	Very low	43 Å²	43	97.6 Å²	97.6	19%	0.187	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.5	170.1	-147.6	165.3	-170	171.1	0	107.4	C832 V856 L1087 L1092	C832-K1062 HydrophobicContact CB-CD 4.36Å; C832-K1062 WeakPolarHBondContact O-CE 3.47Å; C832-K1062 PolarHBondContact O-NZ 2.83Å; V856-K1062 HydrophobicContact CG2-CD 4.5Å; V856-K1062 HydrophobicContact CG2-CG 4.16Å; K1062-L1087 PolarHBondContact N-O 2.98Å; K1062-L1087 PolarHBondContact O-N 3.31Å; K1062-L1092 HydrophobicContact CB-CD1 3.95Å; K1062-L1092 HydrophobicContact CD-CD1 3.88Å
1063	R	70	Confident	49	Very low	60 Å²	60	96.2 Å²	96.2	23%	0.226	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.4	178.8	-80.2	-171.5	-74.4	-177.9	0.1	109.6	D849 S854 N855 V856 I1085	D849-R1063 IonicContact OD2-NH2 2.62Å; D849-R1063 PolarHBondContact OD2-NH2 2.92Å; S854-R1063 PolarHBondContact O-N 3.32Å; N855-R1063 CarbonylContact C-O 3.58Å; N855-R1063 PolarHBondContact OD1-NE 2.84Å; N855-R1063 PolarHBondContact OD1-NH2 3.31Å; N855-R1063 VanDerWaalsContact OD1-NH2 3.13Å; V856-R1063 PolarHBondContact N-O 3.46Å; R1063-I1085 WeakPolarHBondContact CA-O 3.49Å
1064	I	71.2	Confident	49.7	Very low	0 Å²	0	97 Å²	97	0%	0	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114	172.3	-57.3	-178.3	0	0	0	107.6	L828 L831 V856 V858 F1066 E1084 I1085 L1087	L828-I1064 HydrophobicContact CD1-CD1 4.13Å; L831-I1064 HydrophobicContact CB-CD1 4.37Å; V856-I1064 WeakPolarHBondContact O-CA 3.15Å; V858-I1064 HydrophobicContact CG2-CG2 3.63Å; I1064-F1066 HydrophobicContact CG2-CD2 4.49Å; I1064-F1066 HydrophobicContact CG2-CE2 3.86Å; I1064-F1066 HydrophobicContact CG2-CZ 3.94Å; I1064-E1084 WeakPolarHBondContact O-CA 3.4Å; I1064-I1085 PolarHBondContact N-O 2.95Å; I1064-I1085 PolarHBondContact O-N 3.35Å; I1064-L1087 HydrophobicContact CD1-CD1 3.69Å; I1064-L1087 HydrophobicContact CG1-CD1 4.3Å
1065	I	66.5	Low	50.3	Low	33 Å²	33	97.5 Å²	97.5	17%	0.169	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.4	-177.2	-57.1	176	0	0	0	109	N855 V856 I857 V858 I1082	N855-I1065 HydrophobicContact CB-CD1 4.41Å; V856-I1065 PolarHBondContact O-N 2.92Å; I857-I1065 HydrophobicContact CG1-CB 4.49Å; V858-I1065 PolarHBondContact N-O 2.99Å; I1065-I1082 HydrophobicContact CG2-CG2 3.61Å
1066	F	66	Low	50.6	Low	15 Å²	15	94.1 Å²	94.1	7%	0.066	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.2	173.1	-64.2	-85.6	0	0	0	109.8	V858 M870 W873 I874 I1064 K1083 I1085	V858-F1066 HydrophobicContact CB-CD1 4.1Å; V858-F1066 HydrophobicContact CB-CE1 4.15Å; V858-F1066 HydrophobicContact CG1-CD1 4.24Å; V858-F1066 HydrophobicContact CG1-CE1 4.08Å; M870-F1066 HydrophobicContact CE-CB 4.31Å; M870-F1066 HydrophobicContact CG-CD1 4.31Å; M870-F1066 HydrophobicContact CG-CG 4.37Å; M870-F1066 HydrophobicContact SD-CB 3.62Å; M870-F1066 HydrophobicContact SD-CD1 3.69Å; M870-F1066 HydrophobicContact SD-CD2 4.39Å; M870-F1066 HydrophobicContact SD-CE1 4.47Å; M870-F1066 HydrophobicContact SD-CG 3.64Å; W873-F1066 HydrophobicContact CE3-CE2 4.46Å; W873-F1066 HydrophobicContact CE3-CZ 4.02Å; W873-F1066 HydrophobicContact CZ3-CE2 4.07Å; W873-F1066 AromaticContact CZ3-CZ 3.66Å; W873-F1066 HydrophobicContact CZ3-CZ 3.66Å; I874-F1066 HydrophobicContact CD1-CD2 3.75Å; I874-F1066 HydrophobicContact CD1-CE2 3.87Å; I874-F1066 HydrophobicContact CG1-CD2 4.36Å; I874-F1066 HydrophobicContact CG1-CE2 3.96Å; I1064-F1066 HydrophobicContact CG2-CD2 4.49Å; I1064-F1066 HydrophobicContact CG2-CE2 3.86Å; I1064-F1066 HydrophobicContact CG2-CZ 3.94Å; F1066-K1083 WeakPolarHBondContact CD2-O 3.34Å; F1066-K1083 PolarHBondContact N-O 3.38Å; F1066-I1085 HydrophobicContact CE2-CD1 4.47Å
1067	S	56.6	Low	51.2	Low	49 Å²	49	93 Å²	93	34%	0.343	53%	0.527	S	S	.	.			trans	-115.5	136.5	177.2	51.9	0	0	0	0	111.1	I857 T859 P1069	I857-S1067 WeakPolarHBondContact CG2-OG 3.49Å; T859-S1067 VanDerWaalsContact CG2-OG 3.26Å; T859-S1067 WeakPolarHBondContact CG2-OG 3.48Å; S1067-P1069 WeakPolarHBondContact O-CD 3.41Å
1068	N	52.7	Low	51.4	Low	63 Å²	63	95.7 Å²	95.7	34%	0.337	54%	0.537	S	S	.	.			trans	-91.3	115.9	177.1	-166.5	-1	0	0	0	109.3	S1070	N1068-S1070 PolarHBondContact O-N 3.47Å; N1068-S1070 PolarHBondContact OD1-OG 3.3Å
1069	P	50	Low	51.9	Low	92 Å²	92	93.9 Å²	93.9	60%	0.597	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	21.6	-172.9	29.5	-33.6	0	0	0	114.6	S1067	S1067-P1069 WeakPolarHBondContact O-CD 3.41Å
1070	S	48.9	Very low	51.5	Low	87 Å²	87	92.9 Å²	92.9	61%	0.608	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	12.8	-167.3	58.6	0	0	0	0	117.4	N1068	N1068-S1070 PolarHBondContact O-N 3.47Å; N1068-S1070 PolarHBondContact OD1-OG 3.3Å
1071	L	39.3	Very low	51.2	Low	122 Å²	122	96 Å²	96	64%	0.639	55%	0.551	S	S	*	*			trans	-106.2	105.3	174.9	-73.8	158.9	0	0	0	109.7
1072	N	41.4	Very low	50.9	Low	154 Å²	154	96.8 Å²	96.8	82%	0.824	56%	0.556	S	S	*	*			trans	-73.9	137.1	160.3	-71.8	-34	0	0	0	107.8	D1074	N1072-D1074 VanDerWaalsContact C-N 3.25Å; N1072-D1074 PolarHBondContact O-N 2.87Å
1073	D	39.5	Very low	50.6	Low	166 Å²	166	97.7 Å²	97.7	89%	0.888	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	30.9	-163.9	-68.1	-50.7	0	0	0	117.9
1074	D	47.2	Very low	50.5	Low	158 Å²	158	99.7 Å²	99.7	85%	0.845	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-2.2	-171.6	-90.7	-30.4	0	0	0	117.7	N1072	N1072-D1074 VanDerWaalsContact C-N 3.25Å; N1072-D1074 PolarHBondContact O-N 2.87Å
1075	D	41.7	Very low	50.7	Low	153 Å²	153	99.7 Å²	99.7	82%	0.818	57%	0.572	S	S	*	*			trans	-106.4	110	179	-71.7	-38.3	0	0	0	112	D1077	D1075-D1077 VanDerWaalsContact C-N 3.25Å; D1075-D1077 PolarHBondContact O-N 2.85Å
1076	G	38.8	Very low	51.1	Low	89 Å²	89	100.5 Å²	100.5	92%	0.918	58%	0.58	S	S	*	*			trans	-70.9	56.8	-174.2	0	0	0	0	0	116.5
1077	D	40.5	Very low	51.5	Low	151 Å²	151	99.8 Å²	99.8	81%	0.807	58%	0.577	S	S	*	*			trans	-108.2	115.1	163.8	-102.7	-21.3	0	0	0	110.5	D1075 D1079	D1075-D1077 VanDerWaalsContact C-N 3.25Å; D1075-D1077 PolarHBondContact O-N 2.85Å; D1077-D1079 PolarHBondContact O-N 3.34Å
1078	D	39.7	Very low	52.5	Low	171 Å²	171	100.2 Å²	100.2	91%	0.914	58%	0.575	S	S	*	*	S	Bend	trans	-71.8	35.6	-166.4	-131.9	-0.2	0	0	0	115
1079	D	46.8	Very low	53.7	Low	110 Å²	110	102.7 Å²	102.7	59%	0.588	59%	0.585	S	S	*	*			trans	-116.6	32.1	-177.5	-160	30.7	0	0	0	113.6	D1077 T1081	D1077-D1079 PolarHBondContact O-N 3.34Å; D1079-T1081 PolarHBondContact O-N 3.34Å; D1079-T1081 VanDerWaalsContact O-N 3.15Å
1080	S	41.1	Very low	55.2	Low	96 Å²	96	101.5 Å²	101.5	67%	0.671	58%	0.579	S	S	*	*			trans	-82.3	35.3	174.7	62.4	0	0	0	0	113.2	I1082	S1080-I1082 PolarHBondContact O-N 2.95Å
1081	T	49.4	Very low	56.8	Low	97 Å²	97	98 Å²	98	60%	0.595	55%	0.552	S	S	*	*			trans	-66.8	96.7	174.7	32	0	0	0	0	109.9	D1079 K1083	D1079-T1081 PolarHBondContact O-N 3.34Å; D1079-T1081 VanDerWaalsContact O-N 3.15Å; T1081-K1083 WeakPolarHBondContact O-CG 3.37Å; T1081-K1083 PolarHBondContact O-N 3.13Å
1082	I	52.3	Low	58.8	Low	124 Å²	124	93 Å²	93	64%	0.636	53%	0.526	S	S	*	.			trans	-50	108.8	160.4	-62.9	173	0	0	0	106.3	I1065 S1080 E1084	I1065-I1082 HydrophobicContact CG2-CG2 3.61Å; S1080-I1082 PolarHBondContact O-N 2.95Å; I1082-E1084 PolarHBondContact O-N 3.04Å
1083	K	63.1	Low	60.9	Low	61 Å²	61	92.6 Å²	92.6	27%	0.265	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.8	177.8	-58.2	-170.9	-178.8	174.5	0	107.6	M870 I874 F1066 T1081	M870-K1083 HydrophobicContact CE-CD 4.27Å; I874-K1083 HydrophobicContact CD1-CB 3.43Å; I874-K1083 VanDerWaalsContact CD1-CB 3.43Å; I874-K1083 HydrophobicContact CD1-CD 3.92Å; I874-K1083 HydrophobicContact CD1-CG 4.3Å; F1066-K1083 WeakPolarHBondContact CD2-O 3.34Å; F1066-K1083 PolarHBondContact N-O 3.38Å; T1081-K1083 WeakPolarHBondContact O-CG 3.37Å; T1081-K1083 PolarHBondContact O-N 3.13Å
1084	E	67.8	Low	63.1	Low	102 Å²	102	86 Å²	86	48%	0.477	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.1	176.6	63.9	175.2	-175.3	0	0	111.4	I1064 I1082	I1064-E1084 WeakPolarHBondContact O-CA 3.4Å; I1082-E1084 PolarHBondContact O-N 3.04Å
1085	I	74.5	Confident	64.9	Low	1 Å²	1	78.4 Å²	78.4	1%	0.005	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126	164.4	-58.5	175	0	0	0	108.1	W873 I874 M877 R1063 I1064 F1066 L1087	W873-I1085 HydrophobicContact CE3-CD1 4.12Å; W873-I1085 HydrophobicContact CH2-CD1 4.24Å; W873-I1085 HydrophobicContact CZ3-CD1 3.49Å; W873-I1085 VanDerWaalsContact CZ3-CD1 3.49Å; I874-I1085 HydrophobicContact CB-CD1 4.26Å; I874-I1085 HydrophobicContact CG1-CD1 3.98Å; I874-I1085 HydrophobicContact CG1-CG1 4.33Å; I874-I1085 HydrophobicContact CG2-CD1 4.14Å; I874-I1085 HydrophobicContact CG2-CG1 3.92Å; M877-I1085 HydrophobicContact CB-CD1 3.75Å; M877-I1085 HydrophobicContact CG-CD1 4.1Å; R1063-I1085 WeakPolarHBondContact CA-O 3.49Å; I1064-I1085 PolarHBondContact N-O 2.95Å; I1064-I1085 PolarHBondContact O-N 3.35Å; F1066-I1085 HydrophobicContact CE2-CD1 4.47Å; I1085-L1087 HydrophobicContact CG2-CD2 3.58Å; I1085-L1087 HydrophobicContact CG2-CG 3.9Å
1086	C	75	Confident	67	Low	50 Å²	50	73.4 Å²	73.4	34%	0.338	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115	174.4	-68.3	0	0	0	0	109.9	Q881	Q881-C1086 PolarHBondContact NE2-O 3.48Å
1087	L	75.8	Confident	69.3	Low	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.6	178.7	-52.8	166.2	0	0	0	109.7	L828 Q881 M1061 K1062 I1064 I1085 F1091 L1092	L828-L1087 HydrophobicContact CD1-CD1 3.64Å; L828-L1087 HydrophobicContact CG-CD1 4.44Å; Q881-L1087 HydrophobicContact CG-CD2 4.29Å; M1061-L1087 WeakPolarHBondContact CA-O 3.18Å; K1062-L1087 PolarHBondContact N-O 2.98Å; K1062-L1087 PolarHBondContact O-N 3.31Å; I1064-L1087 HydrophobicContact CD1-CD1 3.69Å; I1064-L1087 HydrophobicContact CG1-CD1 4.3Å; I1085-L1087 HydrophobicContact CG2-CD2 3.58Å; I1085-L1087 HydrophobicContact CG2-CG 3.9Å; L1087-F1091 HydrophobicContact CD2-CD1 4.12Å; L1087-F1091 HydrophobicContact CD2-CE1 3.96Å; L1087-L1092 HydrophobicContact CB-CD1 4.35Å; L1087-L1092 HydrophobicContact CB-CD2 4.27Å; L1087-L1092 HydrophobicContact CB-CG 4.17Å; L1087-L1092 HydrophobicContact CD1-CD2 3.83Å
1088	N	77.9	Confident	71.5	Confident	58 Å²	58	65.4 Å²	65.4	31%	0.31	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	151.2	171.5	71.5	56.8	0	0	0	111.1	S1090 F1091 L1092	N1088-S1090 VanDerWaalsContact C-N 3.26Å; N1088-S1090 PolarHBondContact O-N 3.3Å; N1088-S1090 PolarHBondContact OD1-N 3.48Å; N1088-S1090 PolarHBondContact OD1-OG 3.45Å; N1088-F1091 WeakPolarHBondContact O-CB 3.38Å; N1088-F1091 PolarHBondContact O-N 3.2Å; N1088-F1091 WeakPolarHBondContact OD1-CB 3.39Å; N1088-F1091 PolarHBondContact OD1-N 2.84Å; N1088-L1092 PolarHBondContact O-N 2.91Å; N1088-L1092 VanDerWaalsContact O-N 3.14Å
1089	E	76.9	Confident	73.7	Confident	115 Å²	115	58.8 Å²	58.8	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-33.1	-179.1	-91.3	-169.2	-166.5	0	0	114.2	S1060 F1091 L1092 K1093	S1060-E1089 WeakPolarHBondContact CB-OE1 3.42Å; S1060-E1089 PolarHBondContact O-N 3.44Å; S1060-E1089 WeakPolarHBondContact OG-CG 3.24Å; S1060-E1089 PolarHBondContact OG-OE1 2.94Å; S1060-E1089 PolarHBondContact OG-OE2 3.43Å; E1089-F1091 VanDerWaalsContact C-N 3.3Å; E1089-F1091 PolarHBondContact O-N 2.99Å; E1089-L1092 PolarHBondContact O-N 3.16Å; E1089-K1093 WeakPolarHBondContact O-CB 3.31Å; E1089-K1093 PolarHBondContact O-N 2.85Å
1090	S	80.8	Confident	75.6	Confident	67 Å²	67	59.7 Å²	59.7	47%	0.469	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-36.5	179.9	79.6	0	0	0	0	112.2	N1088 M1094	N1088-S1090 VanDerWaalsContact C-N 3.26Å; N1088-S1090 PolarHBondContact O-N 3.3Å; N1088-S1090 PolarHBondContact OD1-N 3.48Å; N1088-S1090 PolarHBondContact OD1-OG 3.45Å; S1090-M1094 PolarHBondContact O-N 3.43Å; S1090-M1094 VanDerWaalsContact O-N 3.09Å
1091	F	83.2	Confident	77.6	Confident	13 Å²	13	55.9 Å²	55.9	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-68.6	-47.3	174.6	177.5	-98.5	0	0	0	110.4	L828 L880 Q881 L884 L1087 N1088 E1089 K1093 M1094 C1095	L828-F1091 HydrophobicContact CD2-CE1 4.3Å; L880-F1091 HydrophobicContact CB-CZ 4.42Å; L880-F1091 HydrophobicContact CD2-CZ 3.98Å; L880-F1091 HydrophobicContact CG-CZ 3.94Å; Q881-F1091 HydrophobicContact CB-CE2 4.36Å; Q881-F1091 HydrophobicContact CB-CZ 4.4Å; Q881-F1091 HydrophobicContact CG-CD1 4.24Å; Q881-F1091 HydrophobicContact CG-CD2 4.37Å; Q881-F1091 HydrophobicContact CG-CE1 3.81Å; Q881-F1091 HydrophobicContact CG-CE2 3.96Å; Q881-F1091 HydrophobicContact CG-CG 4.49Å; Q881-F1091 HydrophobicContact CG-CZ 3.66Å; L884-F1091 HydrophobicContact CB-CE2 4.36Å; L884-F1091 HydrophobicContact CD2-CE2 4.1Å; L1087-F1091 HydrophobicContact CD2-CD1 4.12Å; L1087-F1091 HydrophobicContact CD2-CE1 3.96Å; N1088-F1091 WeakPolarHBondContact O-CB 3.38Å; N1088-F1091 PolarHBondContact O-N 3.2Å; N1088-F1091 WeakPolarHBondContact OD1-CB 3.39Å; N1088-F1091 PolarHBondContact OD1-N 2.84Å; E1089-F1091 VanDerWaalsContact C-N 3.3Å; E1089-F1091 PolarHBondContact O-N 2.99Å; F1091-K1093 VanDerWaalsContact C-N 3.34Å; F1091-K1093 PolarHBondContact O-N 3.11Å; F1091-M1094 HydrophobicContact CD2-CE 3.85Å; F1091-M1094 HydrophobicContact CE2-CE 4.29Å; F1091-M1094 WeakPolarHBondContact O-CB 3.34Å; F1091-M1094 PolarHBondContact O-N 2.96Å; F1091-M1094 VanDerWaalsContact O-N 3.1Å; F1091-C1095 VanDerWaalsContact CE1-SG 3.56Å; F1091-C1095 PolarHBondContact O-N 3.17Å; F1091-C1095 PolarHBondContact O-SG 3.47Å; F1091-C1095 VanDerWaalsContact O-SG 3.41Å
1092	L	82.1	Confident	79.3	Confident	18 Å²	18	51.3 Å²	51.3	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-46.8	175.9	-71.8	173.4	0	0	0	111.6	M829 K1062 L1087 N1088 E1089 M1094 C1095 T1096	M829-L1092 HydrophobicContact CE-CD2 3.65Å; K1062-L1092 HydrophobicContact CB-CD1 3.95Å; K1062-L1092 HydrophobicContact CD-CD1 3.88Å; L1087-L1092 HydrophobicContact CB-CD1 4.35Å; L1087-L1092 HydrophobicContact CB-CD2 4.27Å; L1087-L1092 HydrophobicContact CB-CG 4.17Å; L1087-L1092 HydrophobicContact CD1-CD2 3.83Å; N1088-L1092 PolarHBondContact O-N 2.91Å; N1088-L1092 VanDerWaalsContact O-N 3.14Å; E1089-L1092 PolarHBondContact O-N 3.16Å; L1092-M1094 VanDerWaalsContact C-N 3.29Å; L1092-M1094 PolarHBondContact O-N 3.17Å; L1092-C1095 WeakPolarHBondContact O-CB 3.23Å; L1092-C1095 PolarHBondContact O-N 3.4Å; L1092-C1095 VanDerWaalsContact O-N 3.15Å; L1092-T1096 PolarHBondContact O-N 3.42Å; L1092-T1096 PolarHBondContact O-OG1 3.27Å
1093	K	84.6	Confident	80.5	Confident	144 Å²	144	48 Å²	48	63%	0.626	26%	0.259	S	S	*	.	H	α-helix	trans	-60.4	-38.2	176.4	-173.1	173.2	-175.2	172.1	0	112.5	E1089 F1091 N1097	E1089-K1093 WeakPolarHBondContact O-CB 3.31Å; E1089-K1093 PolarHBondContact O-N 2.85Å; F1091-K1093 VanDerWaalsContact C-N 3.34Å; F1091-K1093 PolarHBondContact O-N 3.11Å; K1093-N1097 PolarHBondContact O-N 3.35Å; K1093-N1097 PolarHBondContact O-ND2 3.24Å
1094	M	85.4	Confident	81.6	Confident	27 Å²	27	51.9 Å²	51.9	13%	0.133	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-44.8	174.5	178.9	172.3	60.4	0	0	111.6	L884 S1090 F1091 L1092 T1096 N1097 I1098	L884-M1094 HydrophobicContact CD2-CE 3.88Å; L884-M1094 HydrophobicContact CG-CE 3.78Å; L884-M1094 HydrophobicContact CG-SD 4.41Å; L884-M1094 VanDerWaalsContact O-CE 3.32Å; L884-M1094 WeakPolarHBondContact O-CE 3.49Å; S1090-M1094 PolarHBondContact O-N 3.43Å; S1090-M1094 VanDerWaalsContact O-N 3.09Å; F1091-M1094 HydrophobicContact CD2-CE 3.85Å; F1091-M1094 HydrophobicContact CE2-CE 4.29Å; F1091-M1094 WeakPolarHBondContact O-CB 3.34Å; F1091-M1094 PolarHBondContact O-N 2.96Å; F1091-M1094 VanDerWaalsContact O-N 3.1Å; L1092-M1094 VanDerWaalsContact C-N 3.29Å; L1092-M1094 PolarHBondContact O-N 3.17Å; M1094-T1096 PolarHBondContact O-N 3.02Å; M1094-N1097 PolarHBondContact O-N 3.39Å; M1094-I1098 HydrophobicContact CG-CD1 3.84Å; M1094-I1098 HydrophobicContact CG-CG1 4.49Å; M1094-I1098 VanDerWaalsContact O-CG1 3.26Å; M1094-I1098 WeakPolarHBondContact O-CG1 3.39Å; M1094-I1098 PolarHBondContact O-N 3.32Å
1095	C	85.7	Confident	82.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-45.6	174.1	-73.1	0	0	0	0	111.8	L825 M829 F1091 L1092 I1098 L1099	L825-C1095 HydrophobicContact CD2-CB 3.76Å; M829-C1095 HydrophobicContact CE-CB 4.24Å; F1091-C1095 VanDerWaalsContact CE1-SG 3.56Å; F1091-C1095 PolarHBondContact O-N 3.17Å; F1091-C1095 PolarHBondContact O-SG 3.47Å; F1091-C1095 VanDerWaalsContact O-SG 3.41Å; L1092-C1095 WeakPolarHBondContact O-CB 3.23Å; L1092-C1095 PolarHBondContact O-N 3.4Å; L1092-C1095 VanDerWaalsContact O-N 3.15Å; C1095-I1098 PolarHBondContact O-N 3.01Å; C1095-L1099 WeakPolarHBondContact O-CB 3.27Å; C1095-L1099 PolarHBondContact O-N 3.13Å
1096	T	86.6	Confident	82.8	Confident	48 Å²	48	58.1 Å²	58.1	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-48.4	175.6	-49.3	0	0	0	0	111.5	M829 L1092 M1094 I1098 L1099 E1100	M829-T1096 PolarHBondContact SD-OG1 2.79Å; L1092-T1096 PolarHBondContact O-N 3.42Å; L1092-T1096 PolarHBondContact O-OG1 3.27Å; M1094-T1096 PolarHBondContact O-N 3.02Å; T1096-I1098 VanDerWaalsContact C-N 3.31Å; T1096-I1098 PolarHBondContact O-N 3.4Å; T1096-L1099 PolarHBondContact O-N 2.74Å; T1096-L1099 VanDerWaalsContact O-N 3.15Å; T1096-E1100 HydrophobicContact CG2-CG 4.44Å; T1096-E1100 WeakPolarHBondContact O-CG 3.28Å; T1096-E1100 PolarHBondContact O-N 2.9Å
1097	N	86.2	Confident	83.3	Confident	71 Å²	71	56.8 Å²	56.8	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-36.9	178.6	-67.4	-21.2	0	0	0	112.8	K1093 M1094 S1101	K1093-N1097 PolarHBondContact O-N 3.35Å; K1093-N1097 PolarHBondContact O-ND2 3.24Å; M1094-N1097 PolarHBondContact O-N 3.39Å; N1097-S1101 VanDerWaalsContact O-CB 3.25Å; N1097-S1101 WeakPolarHBondContact O-CB 3.47Å; N1097-S1101 PolarHBondContact O-N 3.14Å
1098	I	86	Confident	83.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-45.1	175.3	-70	164.6	0	0	0	109.5	L825 L884 L892 M1094 C1095 T1096 S1101 L1102	L825-I1098 HydrophobicContact CD1-CB 4.37Å; L825-I1098 HydrophobicContact CD1-CG2 3.77Å; L884-I1098 HydrophobicContact CD1-CD1 3.9Å; L884-I1098 HydrophobicContact CD2-CD1 3.71Å; L884-I1098 HydrophobicContact CG-CD1 4.28Å; L892-I1098 HydrophobicContact CD1-CD1 4.27Å; L892-I1098 HydrophobicContact CD1-CG1 4.36Å; L892-I1098 HydrophobicContact CD1-CG2 4.19Å; M1094-I1098 HydrophobicContact CG-CD1 3.84Å; M1094-I1098 HydrophobicContact CG-CG1 4.49Å; M1094-I1098 VanDerWaalsContact O-CG1 3.26Å; M1094-I1098 WeakPolarHBondContact O-CG1 3.39Å; M1094-I1098 PolarHBondContact O-N 3.32Å; C1095-I1098 PolarHBondContact O-N 3.01Å; T1096-I1098 VanDerWaalsContact C-N 3.31Å; T1096-I1098 PolarHBondContact O-N 3.4Å; I1098-S1101 PolarHBondContact O-N 2.91Å; I1098-L1102 HydrophobicContact CG2-CD1 3.59Å; I1098-L1102 HydrophobicContact CG2-CG 4.13Å; I1098-L1102 WeakPolarHBondContact O-CB 3.45Å; I1098-L1102 WeakPolarHBondContact O-CG 3.35Å; I1098-L1102 PolarHBondContact O-N 3.45Å
1099	L	86.2	Confident	84.1	Confident	32 Å²	32	62.2 Å²	62.2	17%	0.168	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-46.2	-180	-175.6	64.8	0	0	0	111.8	I822 L825 I826 M829 C1095 T1096 S1101 L1102 G1103	I822-L1099 HydrophobicContact CG2-CD1 3.93Å; L825-L1099 HydrophobicContact CB-CD1 4.18Å; I826-L1099 HydrophobicContact CD1-CD1 4.31Å; I826-L1099 HydrophobicContact CG1-CD1 3.56Å; I826-L1099 HydrophobicContact CG1-CD2 4.02Å; I826-L1099 HydrophobicContact CG1-CG 4.39Å; M829-L1099 HydrophobicContact CB-CD2 4.49Å; M829-L1099 HydrophobicContact CG-CD2 3.93Å; C1095-L1099 WeakPolarHBondContact O-CB 3.27Å; C1095-L1099 PolarHBondContact O-N 3.13Å; T1096-L1099 PolarHBondContact O-N 2.74Å; T1096-L1099 VanDerWaalsContact O-N 3.15Å; L1099-S1101 VanDerWaalsContact C-N 3.28Å; L1099-S1101 PolarHBondContact O-N 3.47Å; L1099-L1102 PolarHBondContact O-N 2.81Å; L1099-G1103 PolarHBondContact O-N 3.11Å
1100	E	86.3	Confident	84.6	Confident	128 Å²	128	57.2 Å²	57.2	60%	0.598	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-38.3	174.9	-73.8	178	-177.3	0	0	112.3	T1096	T1096-E1100 HydrophobicContact CG2-CG 4.44Å; T1096-E1100 WeakPolarHBondContact O-CG 3.28Å; T1096-E1100 PolarHBondContact O-N 2.9Å
1101	S	84.6	Confident	84.9	Confident	16 Å²	16	54 Å²	54	11%	0.112	28%	0.279	C	S	.	.	H	α-helix	trans	-70.8	-50.2	177.6	-177.1	0	0	0	0	111.5	N1097 I1098 L1099 G1103 K1104 K1107	N1097-S1101 VanDerWaalsContact O-CB 3.25Å; N1097-S1101 WeakPolarHBondContact O-CB 3.47Å; N1097-S1101 PolarHBondContact O-N 3.14Å; I1098-S1101 PolarHBondContact O-N 2.91Å; L1099-S1101 VanDerWaalsContact C-N 3.28Å; L1099-S1101 PolarHBondContact O-N 3.47Å; S1101-G1103 VanDerWaalsContact C-N 3.33Å; S1101-K1104 PolarHBondContact O-N 2.69Å; S1101-K1107 VanDerWaalsContact O-CB 3.23Å; S1101-K1107 WeakPolarHBondContact O-CB 3.47Å; S1101-K1107 WeakPolarHBondContact O-CG 3.36Å; S1101-K1107 WeakPolarHBondContact OG-CE 3.29Å; S1101-K1107 WeakPolarHBondContact OG-CG 3.39Å
1102	L	83.6	Confident	84.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-77.3	-17.9	-175.2	-67.1	-178.4	0	0	0	113.3	T818 L821 I822 I1098 L1099 K1104 I1111	T818-L1102 HydrophobicContact CG2-CD1 4.37Å; L821-L1102 HydrophobicContact CD2-CD1 4.47Å; I822-L1102 HydrophobicContact CD1-CB 3.84Å; I822-L1102 HydrophobicContact CG1-CB 4.02Å; I822-L1102 HydrophobicContact CG1-CD1 4.28Å; I1098-L1102 HydrophobicContact CG2-CD1 3.59Å; I1098-L1102 HydrophobicContact CG2-CG 4.13Å; I1098-L1102 WeakPolarHBondContact O-CB 3.45Å; I1098-L1102 WeakPolarHBondContact O-CG 3.35Å; I1098-L1102 PolarHBondContact O-N 3.45Å; L1099-L1102 PolarHBondContact O-N 2.81Å; L1102-K1104 PolarHBondContact O-N 2.78Å; L1102-I1111 HydrophobicContact CD2-CB 4.04Å; L1102-I1111 HydrophobicContact CD2-CG1 3.8Å; L1102-I1111 HydrophobicContact CD2-CG2 4.05Å
1103	G	78.6	Confident	84.9	Confident	55 Å²	55	54.6 Å²	54.6	57%	0.567	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.1	172.8	0	0	0	0	0	113.8	L1099 S1101	L1099-G1103 PolarHBondContact O-N 3.11Å; S1101-G1103 VanDerWaalsContact C-N 3.33Å
1104	K	85.1	Confident	85.1	Confident	141 Å²	141	47.8 Å²	47.8	61%	0.613	26%	0.257	S	S	*	.	S	Bend	trans	-78	122.5	173.6	-62.8	-178.4	-177.4	-177.5	0	110	S1101 L1102 E1106 K1107 F1108	S1101-K1104 PolarHBondContact O-N 2.69Å; L1102-K1104 PolarHBondContact O-N 2.78Å; K1104-E1106 VanDerWaalsContact C-N 3.28Å; K1104-E1106 PolarHBondContact O-N 3.48Å; K1104-K1107 HydrophobicContact CB-CB 3.98Å; K1104-K1107 PolarHBondContact O-N 3.21Å; K1104-F1108 PolarHBondContact O-N 3.46Å
1105	P	83.3	Confident	85.2	Confident	109 Å²	109	50.1 Å²	50.1	71%	0.708	27%	0.267	S	S	*	.	H	α-helix	trans	-55.2	-39	-175.9	-27.9	34.5	0	0	0	114.5	F1108 K1109	P1105-F1108 WeakPolarHBondContact O-CB 3.45Å; P1105-K1109 WeakPolarHBondContact O-CB 3.32Å; P1105-K1109 PolarHBondContact O-N 3.44Å
1106	E	84.4	Confident	85.4	Confident	126 Å²	126	51.4 Å²	51.4	59%	0.589	28%	0.276	S	S	*	.	H	α-helix	trans	-65.2	-42.9	178.1	-61.9	-179.2	173.2	0	0	111.8	K1104 K1109 V1110	K1104-E1106 VanDerWaalsContact C-N 3.28Å; K1104-E1106 PolarHBondContact O-N 3.48Å; E1106-K1109 WeakPolarHBondContact O-CB 3.17Å; E1106-K1109 PolarHBondContact O-N 3.45Å; E1106-V1110 WeakPolarHBondContact O-CG2 3.37Å; E1106-V1110 PolarHBondContact O-N 3.05Å; E1106-V1110 VanDerWaalsContact O-N 3.13Å
1107	K	86.2	Confident	85.6	Confident	21 Å²	21	50 Å²	50	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-40	179.7	-168	57.5	162.9	-104.3	0	111.3	L892 C893 R895 S1101 K1104 K1109 V1110 I1111	L892-K1107 VanDerWaalsContact O-CE 3.26Å; L892-K1107 WeakPolarHBondContact O-CE 3.4Å; C893-K1107 PolarHBondContact O-NZ 3.29Å; R895-K1107 WeakPolarHBondContact O-CE 3.47Å; R895-K1107 PolarHBondContact O-NZ 2.99Å; S1101-K1107 VanDerWaalsContact O-CB 3.23Å; S1101-K1107 WeakPolarHBondContact O-CB 3.47Å; S1101-K1107 WeakPolarHBondContact O-CG 3.36Å; S1101-K1107 WeakPolarHBondContact OG-CE 3.29Å; S1101-K1107 WeakPolarHBondContact OG-CG 3.39Å; K1104-K1107 HydrophobicContact CB-CB 3.98Å; K1104-K1107 PolarHBondContact O-N 3.21Å; K1107-K1109 VanDerWaalsContact C-N 3.34Å; K1107-V1110 HydrophobicContact CD-CG2 4.07Å; K1107-V1110 VanDerWaalsContact O-CG2 3.23Å; K1107-V1110 WeakPolarHBondContact O-CG2 3.38Å; K1107-I1111 HydrophobicContact CD-CG1 4.47Å; K1107-I1111 WeakPolarHBondContact O-CB 3.44Å; K1107-I1111 VanDerWaalsContact O-CG1 3.28Å; K1107-I1111 WeakPolarHBondContact O-CG1 3.37Å; K1107-I1111 PolarHBondContact O-N 2.91Å; K1107-I1111 VanDerWaalsContact O-N 3.11Å
1108	F	84.9	Confident	85.7	Confident	28 Å²	28	51.7 Å²	51.7	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-55	-51	171.1	-179.6	-90.7	0	0	0	111	T818 H819 I822 K1104 P1105 V1110 I1111 S1112	T818-F1108 HydrophobicContact CG2-CD2 3.78Å; T818-F1108 HydrophobicContact CG2-CE2 3.39Å; T818-F1108 HydrophobicContact CG2-CZ 4.18Å; H819-F1108 AromaticContact CE1-CE1 3.44Å; H819-F1108 VanDerWaalsContact CE1-CE1 3.44Å; H819-F1108 WeakPolarHBondContact CE1-CE1 3.43Å; H819-F1108 AromaticContact CE1-CE2 3.97Å; H819-F1108 AromaticContact CE1-CZ 3.15Å; H819-F1108 WeakPolarHBondContact CE1-CZ 3.06Å; H819-F1108 AromaticContact CG-CZ 3.79Å; H819-F1108 AromaticContact ND1-CE1 3.89Å; H819-F1108 AromaticContact ND1-CE2 3.89Å; H819-F1108 AromaticContact ND1-CZ 3.15Å; H819-F1108 WeakPolarHBondContact ND1-CZ 3.49Å; H819-F1108 AromaticContact NE2-CZ 3.79Å; I822-F1108 HydrophobicContact CD1-CD2 3.46Å; I822-F1108 VanDerWaalsContact CD1-CD2 3.46Å; I822-F1108 HydrophobicContact CD1-CE2 3.67Å; K1104-F1108 PolarHBondContact O-N 3.46Å; P1105-F1108 WeakPolarHBondContact O-CB 3.45Å; F1108-V1110 PolarHBondContact O-N 3.01Å; F1108-I1111 PolarHBondContact O-N 3.19Å; F1108-S1112 VanDerWaalsContact O-CB 3.29Å; F1108-S1112 WeakPolarHBondContact O-CB 3.31Å; F1108-S1112 PolarHBondContact O-N 2.96Å; F1108-S1112 PolarHBondContact O-OG 2.85Å
1109	K	85.2	Confident	85.9	Confident	144 Å²	144	53.7 Å²	53.7	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-56.2	-53.8	-179	-174.4	-179.3	177.8	-176.9	0	111.7	P1105 E1106 K1107 I1111 S1112 S1113	P1105-K1109 WeakPolarHBondContact O-CB 3.32Å; P1105-K1109 PolarHBondContact O-N 3.44Å; E1106-K1109 WeakPolarHBondContact O-CB 3.17Å; E1106-K1109 PolarHBondContact O-N 3.45Å; K1107-K1109 VanDerWaalsContact C-N 3.34Å; K1109-I1111 PolarHBondContact O-N 2.98Å; K1109-S1112 PolarHBondContact O-N 2.81Å; K1109-S1112 PolarHBondContact O-OG 3.21Å; K1109-S1113 PolarHBondContact O-N 3.47Å; K1109-S1113 PolarHBondContact O-OG 2.94Å
1110	V	87.3	Confident	86	Confident	10 Å²	10	55.1 Å²	55.1	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-36.1	-177.5	-64.1	0	0	0	0	113.5	P896 L972 I974 E1106 K1107 F1108 S1113 C1114	P896-V1110 WeakPolarHBondContact O-CG2 3.45Å; L972-V1110 HydrophobicContact CB-CB 4.22Å; L972-V1110 HydrophobicContact CD2-CB 4.43Å; I974-V1110 HydrophobicContact CD1-CG1 4.18Å; I974-V1110 HydrophobicContact CG1-CG1 3.84Å; E1106-V1110 WeakPolarHBondContact O-CG2 3.37Å; E1106-V1110 PolarHBondContact O-N 3.05Å; E1106-V1110 VanDerWaalsContact O-N 3.13Å; K1107-V1110 HydrophobicContact CD-CG2 4.07Å; K1107-V1110 VanDerWaalsContact O-CG2 3.23Å; K1107-V1110 WeakPolarHBondContact O-CG2 3.38Å; F1108-V1110 PolarHBondContact O-N 3.01Å; V1110-S1113 CarbonylContact O-C 3.58Å; V1110-S1113 PolarHBondContact O-N 2.88Å; V1110-C1114 PolarHBondContact O-N 3.5Å
1111	I	86.6	Confident	86	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-40.8	175.4	-67.3	-61.1	0	0	0	110.5	L790 T818 L892 R895 L1102 K1107 F1108 K1109 S1113 C1114	L790-I1111 HydrophobicContact CD2-CG2 4.41Å; T818-I1111 HydrophobicContact CG2-CG2 4.45Å; L892-I1111 HydrophobicContact CD2-CD1 4.09Å; L892-I1111 HydrophobicContact CD2-CG1 4.43Å; L892-I1111 HydrophobicContact CD2-CG2 3.7Å; R895-I1111 HydrophobicContact CB-CD1 3.75Å; R895-I1111 HydrophobicContact CG-CD1 3.53Å; L1102-I1111 HydrophobicContact CD2-CB 4.04Å; L1102-I1111 HydrophobicContact CD2-CG1 3.8Å; L1102-I1111 HydrophobicContact CD2-CG2 4.05Å; K1107-I1111 HydrophobicContact CD-CG1 4.47Å; K1107-I1111 WeakPolarHBondContact O-CB 3.44Å; K1107-I1111 VanDerWaalsContact O-CG1 3.28Å; K1107-I1111 WeakPolarHBondContact O-CG1 3.37Å; K1107-I1111 PolarHBondContact O-N 2.91Å; K1107-I1111 VanDerWaalsContact O-N 3.11Å; F1108-I1111 PolarHBondContact O-N 3.19Å; K1109-I1111 PolarHBondContact O-N 2.98Å; I1111-S1113 PolarHBondContact O-N 3.49Å; I1111-C1114 VanDerWaalsContact O-CB 3.25Å; I1111-C1114 WeakPolarHBondContact O-CB 3.47Å; I1111-C1114 PolarHBondContact O-N 2.99Å; I1111-C1114 VanDerWaalsContact O-N 3.15Å
1112	S	80.8	Confident	85.8	Confident	7 Å²	7	52 Å²	52	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-16.9	176.9	75.8	0	0	0	0	114.2	L814 F1108 K1109	L814-S1112 VanDerWaalsContact CD2-O 3.24Å; L814-S1112 WeakPolarHBondContact CD2-O 3.49Å; F1108-S1112 VanDerWaalsContact O-CB 3.29Å; F1108-S1112 WeakPolarHBondContact O-CB 3.31Å; F1108-S1112 PolarHBondContact O-N 2.96Å; F1108-S1112 PolarHBondContact O-OG 2.85Å; K1109-S1112 PolarHBondContact O-N 2.81Å; K1109-S1112 PolarHBondContact O-OG 3.21Å
1113	S	84.8	Confident	85.5	Confident	35 Å²	35	54.5 Å²	54.5	25%	0.245	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	6.6	173.6	-61.4	0	0	0	0	112.7	K1109 V1110 I1111 Q1115	K1109-S1113 PolarHBondContact O-N 3.47Å; K1109-S1113 PolarHBondContact O-OG 2.94Å; V1110-S1113 CarbonylContact O-C 3.58Å; V1110-S1113 PolarHBondContact O-N 2.88Å; I1111-S1113 PolarHBondContact O-N 3.49Å; S1113-Q1115 PolarHBondContact O-N 3.23Å
1114	C	88.9	Confident	85.4	Confident	2 Å²	2	54 Å²	54	1%	0.014	28%	0.277	C	S	.	.			trans	-68.6	120.4	-173.7	-171.3	0	0	0	0	111.8	L790 Q791 Q971 L972 V1110 I1111	L790-C1114 HydrophobicContact CD2-CB 4.46Å; Q791-C1114 PolarHBondContact NE2-O 3.35Å; Q971-C1114 PolarHBondContact NE2-SG 2.74Å; Q971-C1114 CarbonylContact O-C 3.58Å; Q971-C1114 VanDerWaalsContact O-CA 3.28Å; Q971-C1114 WeakPolarHBondContact O-CA 3.34Å; L972-C1114 HydrophobicContact CD2-CB 4.02Å; V1110-C1114 PolarHBondContact O-N 3.5Å; I1111-C1114 VanDerWaalsContact O-CB 3.25Å; I1111-C1114 WeakPolarHBondContact O-CB 3.47Å; I1111-C1114 PolarHBondContact O-N 2.99Å; I1111-C1114 VanDerWaalsContact O-N 3.15Å
1115	Q	88.1	Confident	85	Confident	75 Å²	75	50.2 Å²	50.2	35%	0.35	26%	0.263	S	S	.	.			trans	-118.6	147.5	178.4	-64.9	-171.7	6.5	0	0	112.3	Q971 S1113	Q971-Q1115 WeakPolarHBondContact CG-O 3.23Å; Q971-Q1115 PolarHBondContact O-N 2.99Å; S1113-Q1115 PolarHBondContact O-N 3.23Å
1116	S	90.3	Very high	85	Confident	28 Å²	28	47.7 Å²	47.7	20%	0.196	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-71.9	129.6	170.1	175.6	0	0	0	0	109.8	T784	T784-S1116 WeakPolarHBondContact CA-OG 3.24Å; T784-S1116 VanDerWaalsContact CG2-OG 3.25Å; T784-S1116 WeakPolarHBondContact CG2-OG 3.38Å; T784-S1116 PolarHBondContact O-OG 2.87Å
1117	V	91.2	Very high	85.1	Confident	18 Å²	18	41.7 Å²	41.7	11%	0.109	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-92.6	123.3	173.3	-175.2	0	0	0	0	108.6	F779 F783 T784 L967 Q971 H1128	F779-V1117 HydrophobicContact CZ-CG1 3.91Å; F783-V1117 HydrophobicContact CB-CB 4.09Å; F783-V1117 HydrophobicContact CB-CG2 4.41Å; F783-V1117 PolarHBondContact O-N 2.69Å; T784-V1117 WeakPolarHBondContact CB-O 3.35Å; T784-V1117 PolarHBondContact OG1-O 3.47Å; L967-V1117 HydrophobicContact CD2-CG1 4.39Å; Q971-V1117 HydrophobicContact CB-CG2 4Å; Q971-V1117 HydrophobicContact CG-CG2 4.36Å; V1117-H1128 WeakPolarHBondContact CG1-NE2 3.46Å
1118	T	88	Confident	85.5	Confident	107 Å²	107	41.1 Å²	41.1	66%	0.656	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-88.9	137.9	172.3	-58.4	0	0	0	0	109.1	E1120 H1128	T1118-E1120 PolarHBondContact O-N 2.91Å; T1118-H1128 PolarHBondContact O-CE1 3.25Å
1119	F	90.1	Very high	85.7	Confident	43 Å²	43	40 Å²	40	19%	0.189	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-64.8	121.3	177.9	-175.2	-105.4	0	0	0	109.9	F779 K1121 H1128 V1129 V1132 A1157	F779-F1119 HydrophobicContact CD1-CB 4Å; F779-F1119 HydrophobicContact CD1-CD2 4.07Å; F779-F1119 HydrophobicContact CD1-CG 4.49Å; F779-F1119 HydrophobicContact CD2-CD2 4.15Å; F779-F1119 HydrophobicContact CE1-CB 3.58Å; F779-F1119 AromaticContact CE1-CD2 3.98Å; F779-F1119 HydrophobicContact CE1-CD2 3.98Å; F779-F1119 HydrophobicContact CE1-CG 4.29Å; F779-F1119 AromaticContact CE2-CD2 3.99Å; F779-F1119 HydrophobicContact CE2-CD2 3.99Å; F779-F1119 HydrophobicContact CG-CD2 4.18Å; F779-F1119 HydrophobicContact CZ-CB 4.11Å; F779-F1119 AromaticContact CZ-CD2 3.92Å; F779-F1119 HydrophobicContact CZ-CD2 3.92Å; F1119-K1121 HydrophobicContact CE1-CB 3.99Å; F1119-H1128 HydrophobicContact CD2-CB 3.97Å; F1119-H1128 HydrophobicContact CE2-CB 3.85Å; F1119-V1129 HydrophobicContact CZ-CG2 4.26Å; F1119-V1132 HydrophobicContact CD2-CG2 4.36Å; F1119-V1132 HydrophobicContact CE2-CG2 3.62Å; F1119-V1132 HydrophobicContact CZ-CG2 4.27Å; F1119-A1157 HydrophobicContact CE1-CB 4.42Å; F1119-A1157 HydrophobicContact CZ-CB 4.16Å
1120	E	88	Confident	86.1	Confident	61 Å²	61	34 Å²	34	29%	0.285	18%	0.184	S	C	.	.			trans	-120.5	122.3	177	180	49.4	-100.6	0	0	108	T1118 D1122 D1123 L1126 H1128	T1118-E1120 PolarHBondContact O-N 2.91Å; E1120-D1122 PolarHBondContact OE1-N 3.05Å; E1120-D1123 HydrophobicContact CG-CB 3.98Å; E1120-L1126 HydrophobicContact CB-CD1 3.79Å; E1120-L1126 HydrophobicContact CG-CD1 3.9Å; E1120-H1128 WeakPolarHBondContact CB-ND1 3.15Å; E1120-H1128 PolarHBondContact N-ND1 3.02Å; E1120-H1128 VanDerWaalsContact O-CB 3.25Å; E1120-H1128 WeakPolarHBondContact O-CB 3.3Å; E1120-H1128 PolarHBondContact O-ND1 3.38Å; E1120-H1128 VanDerWaalsContact O-ND1 3.11Å
1121	K	86.2	Confident	86.5	Confident	47 Å²	47	33.6 Å²	33.6	20%	0.204	18%	0.181	C	C	.	.	S	Bend	trans	-96.9	-25.7	-172.8	70	-160.7	176.5	-50.3	0	112	F1119 K1154 G1158 I1160	F1119-K1121 HydrophobicContact CE1-CB 3.99Å; K1121-K1154 WeakPolarHBondContact O-CE 3.23Å; K1121-G1158 VanDerWaalsContact CD-O 3.26Å; K1121-G1158 WeakPolarHBondContact CD-O 3.25Å; K1121-I1160 HydrophobicContact CD-CD1 4.38Å; K1121-I1160 HydrophobicContact CD-CG1 3.92Å
1122	D	79.4	Confident	87	Confident	31 Å²	31	33.6 Å²	33.6	17%	0.166	18%	0.181	C	C	.	.	S	Bend	trans	-93.3	-14	-169.7	-69.4	-51.1	0	0	0	113.5	R12 E1120	R12-D1122 IonicContact CZ-OD1 3.58Å; R12-D1122 VanDerWaalsContact CZ-OD1 3.29Å; R12-D1122 IonicContact CZ-OD2 2.8Å; R12-D1122 IonicContact NH1-OD1 3.67Å; R12-D1122 PolarHBondContact NH1-OD1 3.27Å; R12-D1122 IonicContact NH1-OD2 3.87Å; R12-D1122 IonicContact NH2-OD1 2.96Å; R12-D1122 PolarHBondContact NH2-OD1 3.25Å; R12-D1122 IonicContact NH2-OD2 3.76Å; R12-D1122 PolarHBondContact NH2-OD2 3.38Å; E1120-D1122 PolarHBondContact OE1-N 3.05Å
1123	D	78.9	Confident	87.7	Confident	56 Å²	56	33.9 Å²	33.9	30%	0.299	18%	0.182	S	C	.	.			trans	-101.5	95.5	171	-169.8	-8.3	0	0	0	110.7	E1120 N1125 L1126	E1120-D1123 HydrophobicContact CG-CB 3.98Å; D1123-N1125 PolarHBondContact O-N 3.27Å; D1123-N1125 VanDerWaalsContact OD1-CB 3.23Å; D1123-N1125 WeakPolarHBondContact OD1-CB 3.3Å; D1123-N1125 PolarHBondContact OD1-N 2.94Å; D1123-N1125 PolarHBondContact OD1-ND2 2.87Å; D1123-L1126 HydrophobicContact CB-CD1 3.76Å; D1123-L1126 HydrophobicContact CB-CG 3.9Å; D1123-L1126 PolarHBondContact O-N 2.97Å; D1123-L1126 WeakPolarHBondContact OD2-CG 3.48Å
1124	D	76.4	Confident	88.3	Confident	45 Å²	45	32.3 Å²	32.3	24%	0.241	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.3	-17.9	178.1	-72.2	-45.6	0	0	0	112.3	L1126 R1150 K1154	D1124-L1126 VanDerWaalsContact C-N 3.32Å; D1124-L1126 PolarHBondContact O-N 2.96Å; D1124-R1150 IonicContact OD1-CZ 3.86Å; D1124-R1150 VanDerWaalsContact OD1-CZ 3.26Å; D1124-R1150 IonicContact OD1-NH1 3.03Å; D1124-R1150 PolarHBondContact OD1-NH1 3.17Å; D1124-R1150 IonicContact OD1-NH2 3.66Å; D1124-R1150 PolarHBondContact OD1-NH2 3.38Å; D1124-R1150 IonicContact OD2-NH1 3.97Å; D1124-K1154 IonicContact OD1-NZ 2.78Å; D1124-K1154 PolarHBondContact OD1-NZ 3.23Å; D1124-K1154 IonicContact OD2-NZ 3.18Å; D1124-K1154 PolarHBondContact OD2-NZ 2.63Å
1125	N	75.7	Confident	88.7	Confident	60 Å²	60	32.2 Å²	32.2	32%	0.321	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-74.9	-18.6	178.7	-62.5	-55.9	0	0	0	113.3	R966 F996 D1123 A1127	R966-N1125 PolarHBondContact NH2-O 3Å; F996-N1125 HydrophobicContact CB-CB 4.35Å; F996-N1125 VanDerWaalsContact CB-OD1 3.24Å; F996-N1125 WeakPolarHBondContact CB-OD1 3.24Å; D1123-N1125 PolarHBondContact O-N 3.27Å; D1123-N1125 VanDerWaalsContact OD1-CB 3.23Å; D1123-N1125 WeakPolarHBondContact OD1-CB 3.3Å; D1123-N1125 PolarHBondContact OD1-N 2.94Å; D1123-N1125 PolarHBondContact OD1-ND2 2.87Å; N1125-A1127 VanDerWaalsContact C-N 3.27Å; N1125-A1127 PolarHBondContact O-N 2.99Å
1126	L	84.7	Confident	89.2	Confident	56 Å²	56	28.7 Å²	28.7	29%	0.293	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-79.5	-5.2	-176.4	-59.7	176.4	0	0	0	113.8	E1120 D1123 D1124 H1128	E1120-L1126 HydrophobicContact CB-CD1 3.79Å; E1120-L1126 HydrophobicContact CG-CD1 3.9Å; D1123-L1126 HydrophobicContact CB-CD1 3.76Å; D1123-L1126 HydrophobicContact CB-CG 3.9Å; D1123-L1126 PolarHBondContact O-N 2.97Å; D1123-L1126 WeakPolarHBondContact OD2-CG 3.48Å; D1124-L1126 VanDerWaalsContact C-N 3.32Å; D1124-L1126 PolarHBondContact O-N 2.96Å; L1126-H1128 PolarHBondContact O-CD2 3.4Å; L1126-H1128 PolarHBondContact O-N 2.93Å; L1126-H1128 VanDerWaalsContact O-N 3.11Å
1127	A	86.3	Confident	89.5	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	60.1	11.8	-175.9	0	0	0	0	0	115.3	R966 N1125 D1130 F1131	R966-A1127 HydrophobicContact CB-CB 4.42Å; N1125-A1127 VanDerWaalsContact C-N 3.27Å; N1125-A1127 PolarHBondContact O-N 2.99Å; A1127-D1130 PolarHBondContact O-N 2.97Å; A1127-F1131 PolarHBondContact O-N 3.35Å
1128	H	92.9	Very high	89.9	Confident	10 Å²	10	27.1 Å²	27.1	5%	0.046	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-53.6	-179.6	-68.8	179.7	0	0	0	111.6	F779 L967 V1117 T1118 F1119 E1120 L1126 D1130 F1131 V1132	F779-H1128 HydrophobicContact CE2-CB 4.15Å; F779-H1128 AromaticContact CE2-CD2 3.94Å; F779-H1128 AromaticContact CE2-CG 3.97Å; L967-H1128 WeakPolarHBondContact CD2-CD2 3.44Å; V1117-H1128 WeakPolarHBondContact CG1-NE2 3.46Å; T1118-H1128 PolarHBondContact O-CE1 3.25Å; F1119-H1128 HydrophobicContact CD2-CB 3.97Å; F1119-H1128 HydrophobicContact CE2-CB 3.85Å; E1120-H1128 WeakPolarHBondContact CB-ND1 3.15Å; E1120-H1128 PolarHBondContact N-ND1 3.02Å; E1120-H1128 VanDerWaalsContact O-CB 3.25Å; E1120-H1128 WeakPolarHBondContact O-CB 3.3Å; E1120-H1128 PolarHBondContact O-ND1 3.38Å; E1120-H1128 VanDerWaalsContact O-ND1 3.11Å; L1126-H1128 PolarHBondContact O-CD2 3.4Å; L1126-H1128 PolarHBondContact O-N 2.93Å; L1126-H1128 VanDerWaalsContact O-N 3.11Å; H1128-D1130 VanDerWaalsContact C-N 3.31Å; H1128-D1130 PolarHBondContact O-N 3.31Å; H1128-F1131 PolarHBondContact O-N 3.35Å; H1128-V1132 WeakPolarHBondContact O-CG2 3.31Å; H1128-V1132 PolarHBondContact O-N 3.33Å; H1128-V1132 VanDerWaalsContact O-N 3.17Å
1129	V	90.9	Very high	90.4	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-35.6	178.1	176.1	0	0	0	0	111.1	F1119 V1132 T1133 R1150 K1154	F1119-V1129 HydrophobicContact CZ-CG2 4.26Å; V1129-V1132 PolarHBondContact O-N 3.46Å; V1129-T1133 VanDerWaalsContact O-CB 3.24Å; V1129-T1133 WeakPolarHBondContact O-CB 3.19Å; V1129-T1133 PolarHBondContact O-N 2.94Å; V1129-T1133 PolarHBondContact O-OG1 2.97Å; V1129-R1150 HydrophobicContact CG1-CG 3.96Å; V1129-K1154 HydrophobicContact CG1-CB 3.81Å; V1129-K1154 HydrophobicContact CG1-CD 4.49Å; V1129-K1154 HydrophobicContact CG1-CG 4.3Å; V1129-K1154 HydrophobicContact CG2-CB 4.41Å; V1129-K1154 HydrophobicContact CG2-CD 4.37Å; V1129-K1154 HydrophobicContact CG2-CG 4.09Å
1130	D	91.8	Very high	90.7	Very high	20 Å²	20	20.2 Å²	20.2	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-41.5	178.9	-58.9	-19.1	0	0	0	111.5	T959 A1127 H1128 S1134 R1150	T959-D1130 HydrophobicContact CG2-CB 4.16Å; A1127-D1130 PolarHBondContact O-N 2.97Å; H1128-D1130 VanDerWaalsContact C-N 3.31Å; H1128-D1130 PolarHBondContact O-N 3.31Å; D1130-S1134 VanDerWaalsContact O-CB 3.3Å; D1130-S1134 WeakPolarHBondContact O-CB 3.47Å; D1130-S1134 PolarHBondContact O-N 3.13Å; D1130-S1134 PolarHBondContact O-OG 2.9Å; D1130-R1150 IonicContact OD1-CZ 3.62Å; D1130-R1150 IonicContact OD1-NE 2.75Å; D1130-R1150 PolarHBondContact OD1-NE 3.46Å; D1130-R1150 IonicContact OD1-NH2 3.77Å; D1130-R1150 PolarHBondContact OD1-NH2 3.01Å
1131	F	96	Very high	91.1	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-50.3	172.7	168.9	-99.5	0	0	0	111.3	K778 F779 F783 F960 S963 Y964 L967 A1127 H1128 T1133 S1134 A1135	K778-F1131 HydrophobicContact CB-CZ 4.37Å; F779-F1131 HydrophobicContact CB-CD1 4Å; F779-F1131 HydrophobicContact CB-CE1 3.72Å; F779-F1131 AromaticContact CD2-CD1 3.76Å; F779-F1131 HydrophobicContact CD2-CD1 3.76Å; F779-F1131 HydrophobicContact CD2-CE1 4.27Å; F779-F1131 HydrophobicContact CG-CD1 4.39Å; F783-F1131 HydrophobicContact CE2-CD1 4.34Å; F783-F1131 HydrophobicContact CE2-CE1 4.1Å; F783-F1131 HydrophobicContact CE2-CE2 4.42Å; F783-F1131 HydrophobicContact CE2-CZ 4.13Å; F960-F1131 HydrophobicContact CD2-CD2 4.44Å; F960-F1131 HydrophobicContact CD2-CE2 4.2Å; F960-F1131 HydrophobicContact CE2-CD2 4.31Å; F960-F1131 AromaticContact CE2-CE2 3.65Å; F960-F1131 HydrophobicContact CE2-CE2 3.65Å; F960-F1131 HydrophobicContact CZ-CE2 4.3Å; S963-F1131 VanDerWaalsContact OG-CA 3.24Å; S963-F1131 WeakPolarHBondContact OG-CA 3.45Å; Y964-F1131 HydrophobicContact CD2-CD2 4.15Å; Y964-F1131 AromaticContact CD2-CE2 3.57Å; Y964-F1131 HydrophobicContact CD2-CE2 3.57Å; Y964-F1131 HydrophobicContact CD2-CZ 4.34Å; Y964-F1131 HydrophobicContact CE2-CE2 4.23Å; Y964-F1131 HydrophobicContact CG-CE2 4.49Å; L967-F1131 HydrophobicContact CD1-CB 3.54Å; L967-F1131 HydrophobicContact CD1-CD1 4Å; L967-F1131 HydrophobicContact CD1-CD2 4.19Å; L967-F1131 HydrophobicContact CD1-CG 3.59Å; A1127-F1131 PolarHBondContact O-N 3.35Å; H1128-F1131 PolarHBondContact O-N 3.35Å; F1131-T1133 VanDerWaalsContact C-N 3.34Å; F1131-T1133 PolarHBondContact O-N 2.88Å; F1131-S1134 PolarHBondContact O-N 2.75Å; F1131-S1134 PolarHBondContact O-OG 2.82Å; F1131-S1134 VanDerWaalsContact O-OG 3.13Å; F1131-A1135 HydrophobicContact CE2-CB 4.19Å; F1131-A1135 HydrophobicContact CZ-CB 4.2Å; F1131-A1135 WeakPolarHBondContact O-CB 3.45Å; F1131-A1135 PolarHBondContact O-N 3.15Å
1132	V	96.8	Very high	91.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-42.7	-178	179	0	0	0	0	110.6	I772 A775 F779 F1119 H1128 V1129 A1136 V1153 A1157	I772-V1132 HydrophobicContact CG2-CG1 4.4Å; A775-V1132 HydrophobicContact CB-CG1 3.93Å; A775-V1132 WeakPolarHBondContact CB-O 3.47Å; F779-V1132 HydrophobicContact CB-CG2 4.36Å; F1119-V1132 HydrophobicContact CD2-CG2 4.36Å; F1119-V1132 HydrophobicContact CE2-CG2 3.62Å; F1119-V1132 HydrophobicContact CZ-CG2 4.27Å; H1128-V1132 WeakPolarHBondContact O-CG2 3.31Å; H1128-V1132 PolarHBondContact O-N 3.33Å; H1128-V1132 VanDerWaalsContact O-N 3.17Å; V1129-V1132 PolarHBondContact O-N 3.46Å; V1132-A1136 WeakPolarHBondContact O-CB 3.1Å; V1132-A1136 PolarHBondContact O-N 3.3Å; V1132-V1153 HydrophobicContact CB-CG1 4.4Å; V1132-V1153 HydrophobicContact CG1-CG1 3.79Å; V1132-A1157 HydrophobicContact CG1-CB 3.76Å
1133	T	96.2	Very high	92.3	Very high	14 Å²	14	17.1 Å²	17.1	9%	0.086	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-52.1	177.7	-57.6	0	0	0	0	111.5	V1129 F1131 A1136 N1137 R1150 V1153	V1129-T1133 VanDerWaalsContact O-CB 3.24Å; V1129-T1133 WeakPolarHBondContact O-CB 3.19Å; V1129-T1133 PolarHBondContact O-N 2.94Å; V1129-T1133 PolarHBondContact O-OG1 2.97Å; F1131-T1133 VanDerWaalsContact C-N 3.34Å; F1131-T1133 PolarHBondContact O-N 2.88Å; T1133-A1136 PolarHBondContact O-N 3.33Å; T1133-N1137 WeakPolarHBondContact O-CB 3.26Å; T1133-N1137 PolarHBondContact O-N 2.67Å; T1133-R1150 HydrophobicContact CG2-CB 4.09Å; T1133-R1150 HydrophobicContact CG2-CG 4.36Å; T1133-V1153 HydrophobicContact CG2-CB 4.48Å; T1133-V1153 HydrophobicContact CG2-CG2 4.13Å
1134	S	97	Very high	93	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-42.9	-178.5	57.7	0	0	0	0	112	F960 D1130 F1131 N1137 L1138	F960-S1134 VanDerWaalsContact CA-OG 3.3Å; F960-S1134 WeakPolarHBondContact CA-OG 3.38Å; D1130-S1134 VanDerWaalsContact O-CB 3.3Å; D1130-S1134 WeakPolarHBondContact O-CB 3.47Å; D1130-S1134 PolarHBondContact O-N 3.13Å; D1130-S1134 PolarHBondContact O-OG 2.9Å; F1131-S1134 PolarHBondContact O-N 2.75Å; F1131-S1134 PolarHBondContact O-OG 2.82Å; F1131-S1134 VanDerWaalsContact O-OG 3.13Å; S1134-N1137 PolarHBondContact O-N 2.8Å; S1134-L1138 VanDerWaalsContact O-CB 3.32Å; S1134-L1138 WeakPolarHBondContact O-CB 3.27Å; S1134-L1138 WeakPolarHBondContact O-CD1 3.49Å; S1134-L1138 WeakPolarHBondContact O-CG 3.32Å; S1134-L1138 PolarHBondContact O-N 2.93Å
1135	A	98.1	Very high	93.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.3	-39.6	177.4	0	0	0	0	0	112.9	W774 A775 F914 F960 F1131 R1139	W774-A1135 HydrophobicContact CZ3-CB 4.31Å; A775-A1135 HydrophobicContact CB-CB 3.82Å; F914-A1135 HydrophobicContact CZ-CB 4.35Å; F960-A1135 HydrophobicContact CD2-CB 3.95Å; F960-A1135 HydrophobicContact CE2-CB 3.88Å; F1131-A1135 HydrophobicContact CE2-CB 4.19Å; F1131-A1135 HydrophobicContact CZ-CB 4.2Å; F1131-A1135 WeakPolarHBondContact O-CB 3.45Å; F1131-A1135 PolarHBondContact O-N 3.15Å; A1135-R1139 WeakPolarHBondContact O-CB 3.21Å; A1135-R1139 PolarHBondContact O-N 3.18Å; A1135-R1139 VanDerWaalsContact O-N 3.14Å
1136	A	97.7	Very high	94.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-48.2	176.8	0	0	0	0	0	111.2	C771 I772 A775 V1132 T1133 R1139 A1140	C771-A1136 HydrophobicContact CB-CB 4.33Å; C771-A1136 WeakPolarHBondContact CB-O 3.28Å; I772-A1136 HydrophobicContact CB-CB 4.4Å; I772-A1136 HydrophobicContact CG1-CB 3.8Å; A775-A1136 HydrophobicContact CB-CB 3.98Å; V1132-A1136 WeakPolarHBondContact O-CB 3.1Å; V1132-A1136 PolarHBondContact O-N 3.3Å; T1133-A1136 PolarHBondContact O-N 3.33Å; A1136-R1139 CarbonylContact O-C 3.44Å; A1136-R1139 PolarHBondContact O-N 3.36Å; A1136-A1140 WeakPolarHBondContact O-CB 3.49Å; A1136-A1140 PolarHBondContact O-N 2.86Å
1137	N	98	Very high	94.8	Very high	13 Å²	13	19.4 Å²	19.4	7%	0.07	11%	0.114	C	C	.	.	H	α-helix	trans	-67.3	-37.6	-179	-74.8	-16.4	0	0	0	112.3	L956 T1133 S1134 R1139 A1140 T1141 I1147 T1148	L956-N1137 HydrophobicContact CD1-CB 3.93Å; L956-N1137 HydrophobicContact CD2-CB 4.02Å; T1133-N1137 WeakPolarHBondContact O-CB 3.26Å; T1133-N1137 PolarHBondContact O-N 2.67Å; S1134-N1137 PolarHBondContact O-N 2.8Å; N1137-R1139 VanDerWaalsContact C-N 3.33Å; N1137-R1139 PolarHBondContact O-N 3.06Å; N1137-A1140 WeakPolarHBondContact O-CB 3.48Å; N1137-A1140 PolarHBondContact O-N 3.47Å; N1137-T1141 PolarHBondContact O-N 3.2Å; N1137-T1141 PolarHBondContact O-OG1 3.1Å; N1137-T1141 VanDerWaalsContact O-OG1 3.05Å; N1137-I1147 HydrophobicContact CB-CB 4.32Å; N1137-I1147 HydrophobicContact CB-CG2 4.1Å; N1137-T1148 PolarHBondContact ND2-O 2.9Å; N1137-T1148 PolarHBondContact OD1-N 2.96Å; N1137-T1148 PolarHBondContact OD1-O 2.94Å
1138	L	98.2	Very high	95	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-42.4	171.4	-77.4	168.3	0	0	0	112.1	F910 F914 I948 L956 H957 F960 S1134 M1142	F910-L1138 HydrophobicContact CD2-CD1 4.01Å; F910-L1138 HydrophobicContact CE2-CD1 3.67Å; F910-L1138 HydrophobicContact CE2-CD2 3.81Å; F910-L1138 HydrophobicContact CE2-CG 4.42Å; F910-L1138 HydrophobicContact CZ-CD2 4.22Å; F914-L1138 HydrophobicContact CD1-CB 3.64Å; F914-L1138 HydrophobicContact CD2-CB 4.15Å; F914-L1138 HydrophobicContact CD2-CD1 3.88Å; F914-L1138 HydrophobicContact CD2-CG 4.49Å; F914-L1138 HydrophobicContact CE1-CB 3.41Å; F914-L1138 VanDerWaalsContact CE1-CB 3.41Å; F914-L1138 HydrophobicContact CE1-CD1 4.44Å; F914-L1138 HydrophobicContact CE2-CB 3.96Å; F914-L1138 HydrophobicContact CE2-CD1 3.44Å; F914-L1138 VanDerWaalsContact CE2-CD1 3.44Å; F914-L1138 HydrophobicContact CE2-CG 4.29Å; F914-L1138 HydrophobicContact CG-CB 4.01Å; F914-L1138 HydrophobicContact CZ-CB 3.59Å; F914-L1138 HydrophobicContact CZ-CD1 3.77Å; F914-L1138 HydrophobicContact CZ-CG 4.32Å; I948-L1138 HydrophobicContact CD1-CD2 4.27Å; I948-L1138 WeakPolarHBondContact CD1-O 3.26Å; L956-L1138 HydrophobicContact CD2-CD2 3.95Å; L956-L1138 HydrophobicContact CD2-CG 3.99Å; L956-L1138 HydrophobicContact CG-CD2 4.11Å; L956-L1138 HydrophobicContact CG-CG 3.96Å; H957-L1138 VanDerWaalsContact CD2-CD2 3.47Å; H957-L1138 WeakPolarHBondContact CD2-CD2 3.44Å; F960-L1138 HydrophobicContact CB-CD1 3.59Å; F960-L1138 HydrophobicContact CD2-CD1 3.93Å; F960-L1138 HydrophobicContact CG-CD1 3.76Å; S1134-L1138 VanDerWaalsContact O-CB 3.32Å; S1134-L1138 WeakPolarHBondContact O-CB 3.27Å; S1134-L1138 WeakPolarHBondContact O-CD1 3.49Å; S1134-L1138 WeakPolarHBondContact O-CG 3.32Å; S1134-L1138 PolarHBondContact O-N 2.93Å; L1138-M1142 WeakPolarHBondContact O-CB 3.21Å; L1138-M1142 PolarHBondContact O-N 3.35Å
1139	R	97.9	Very high	94.8	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-37.2	175.5	-173.1	175.1	177.5	93.5	-6.1	111.9	L761 K762 C771 W774 F914 A1135 A1136 N1137 M1142 Y1143	L761-R1139 PolarHBondContact O-NH2 3.32Å; K762-R1139 PolarHBondContact O-NH2 2.89Å; C771-R1139 HydrophobicContact CB-CB 4.16Å; C771-R1139 HydrophobicContact CB-CG 4.27Å; W774-R1139 HydrophobicContact CE3-CB 4.33Å; W774-R1139 HydrophobicContact CE3-CG 4.43Å; W774-R1139 VanDerWaalsContact CG-CZ 3.48Å; W774-R1139 HydrophobicContact CZ3-CB 4.3Å; W774-R1139 VanDerWaalsContact NE1-NH1 3.11Å; F914-R1139 HydrophobicContact CE1-CB 4.25Å; A1135-R1139 WeakPolarHBondContact O-CB 3.21Å; A1135-R1139 PolarHBondContact O-N 3.18Å; A1135-R1139 VanDerWaalsContact O-N 3.14Å; A1136-R1139 CarbonylContact O-C 3.44Å; A1136-R1139 PolarHBondContact O-N 3.36Å; N1137-R1139 VanDerWaalsContact C-N 3.33Å; N1137-R1139 PolarHBondContact O-N 3.06Å; R1139-M1142 HydrophobicContact CG-CE 4.28Å; R1139-M1142 WeakPolarHBondContact O-CB 3.24Å; R1139-M1142 PolarHBondContact O-N 3.44Å; R1139-Y1143 HydrophobicContact CG-CD2 4.25Å; R1139-Y1143 HydrophobicContact CG-CE2 4.26Å; R1139-Y1143 WeakPolarHBondContact O-CD2 3.36Å; R1139-Y1143 PolarHBondContact O-N 3.24Å
1140	A	96.8	Very high	94.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-50.3	174.5	0	0	0	0	0	110.5	A1136 N1137 M1142 Y1143 S1144 L1145	A1136-A1140 WeakPolarHBondContact O-CB 3.49Å; A1136-A1140 PolarHBondContact O-N 2.86Å; N1137-A1140 WeakPolarHBondContact O-CB 3.48Å; N1137-A1140 PolarHBondContact O-N 3.47Å; A1140-M1142 VanDerWaalsContact C-N 3.29Å; A1140-M1142 PolarHBondContact O-N 3.21Å; A1140-Y1143 CarbonylContact O-C 3.6Å; A1140-Y1143 PolarHBondContact O-N 2.83Å; A1140-S1144 PolarHBondContact O-N 3.36Å; A1140-L1145 HydrophobicContact CB-CB 3.95Å; A1140-L1145 PolarHBondContact O-N 2.93Å
1141	T	96.5	Very high	94.2	Very high	66 Å²	66	27.4 Å²	27.4	41%	0.405	16%	0.157	S	C	.	.	H	α-helix	trans	-56.2	-42.3	174.3	-58	0	0	0	0	112	I948 N1137 Y1143 S1144	I948-T1141 HydrophobicContact CD1-CG2 4.14Å; N1137-T1141 PolarHBondContact O-N 3.2Å; N1137-T1141 PolarHBondContact O-OG1 3.1Å; N1137-T1141 VanDerWaalsContact O-OG1 3.05Å; T1141-Y1143 PolarHBondContact O-N 3.1Å; T1141-S1144 PolarHBondContact O-N 3.04Å
1142	M	96.5	Very high	93.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-33	176.5	-170.2	178.1	76.4	0	0	112.1	A918 P945 K946 I948 L1138 R1139 A1140	A918-M1142 HydrophobicContact CB-CG 4.18Å; A918-M1142 HydrophobicContact CB-SD 3.93Å; P945-M1142 CarbonylContact C-O 3.55Å; P945-M1142 VanDerWaalsContact CA-O 3.27Å; P945-M1142 WeakPolarHBondContact CA-O 3.46Å; P945-M1142 HydrophobicContact CB-CG 4.14Å; K946-M1142 PolarHBondContact N-O 3.47Å; K946-M1142 VanDerWaalsContact O-CG 3.26Å; K946-M1142 WeakPolarHBondContact O-CG 3.46Å; I948-M1142 HydrophobicContact CD1-CB 4.11Å; I948-M1142 HydrophobicContact CG1-CB 4.47Å; L1138-M1142 WeakPolarHBondContact O-CB 3.21Å; L1138-M1142 PolarHBondContact O-N 3.35Å; R1139-M1142 HydrophobicContact CG-CE 4.28Å; R1139-M1142 WeakPolarHBondContact O-CB 3.24Å; R1139-M1142 PolarHBondContact O-N 3.44Å; A1140-M1142 VanDerWaalsContact C-N 3.29Å; A1140-M1142 PolarHBondContact O-N 3.21Å
1143	Y	95.4	Very high	93.4	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.027	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	10.2	177.3	-72.8	-79.6	0	0	0	114	S763 P765 L921 R943 P945 R1139 A1140 T1141 L1145	S763-Y1143 VanDerWaalsContact O-CZ 3.27Å; S763-Y1143 PolarHBondContact O-OH 3.49Å; P765-Y1143 HydrophobicContact CG-CD1 4.23Å; P765-Y1143 HydrophobicContact CG-CD2 3.14Å; P765-Y1143 HydrophobicContact CG-CE1 4.4Å; P765-Y1143 HydrophobicContact CG-CE2 3.29Å; P765-Y1143 HydrophobicContact CG-CG 3.66Å; L921-Y1143 HydrophobicContact CD2-CE1 4.45Å; L921-Y1143 WeakPolarHBondContact CD2-OH 3.27Å; R943-Y1143 HydrophobicContact CB-CD1 4.38Å; R943-Y1143 WeakPolarHBondContact CD-O 3.49Å; R943-Y1143 VanDerWaalsContact O-CD1 3.31Å; R943-Y1143 WeakPolarHBondContact O-CD1 3.5Å; P945-Y1143 HydrophobicContact CB-CD1 4.14Å; P945-Y1143 HydrophobicContact CB-CE1 3.64Å; P945-Y1143 HydrophobicContact CG-CE1 4.23Å; R1139-Y1143 HydrophobicContact CG-CD2 4.25Å; R1139-Y1143 HydrophobicContact CG-CE2 4.26Å; R1139-Y1143 WeakPolarHBondContact O-CD2 3.36Å; R1139-Y1143 PolarHBondContact O-N 3.24Å; A1140-Y1143 CarbonylContact O-C 3.6Å; A1140-Y1143 PolarHBondContact O-N 2.83Å; T1141-Y1143 PolarHBondContact O-N 3.1Å; Y1143-L1145 PolarHBondContact O-N 3.31Å
1144	S	92.7	Very high	93	Very high	52 Å²	52	28.6 Å²	28.6	36%	0.364	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	39.5	-173.2	-49.6	0	0	0	0	112.8	K946 A1140 T1141	K946-S1144 PolarHBondContact NZ-OG 3.01Å; A1140-S1144 PolarHBondContact O-N 3.36Å; T1141-S1144 PolarHBondContact O-N 3.04Å
1145	L	91.3	Very high	92.4	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.058	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-94.2	152.6	171.1	-63.8	174.3	0	0	0	110.1	P765 T766 A1140 Y1143	P765-L1145 HydrophobicContact CB-CD1 4.29Å; T766-L1145 WeakPolarHBondContact O-CD2 3.39Å; A1140-L1145 HydrophobicContact CB-CB 3.95Å; A1140-L1145 PolarHBondContact O-N 2.93Å; Y1143-L1145 PolarHBondContact O-N 3.31Å
1146	P	90.2	Very high	91.8	Very high	88 Å²	88	33 Å²	33	57%	0.571	18%	0.181	S	C	*	.	P	Polyproline II helix	trans	-62.7	140	176.5	24.5	-31.8	0	0	0	111.3	P768	P768-P1146 HydrophobicContact CG-CG 3.82Å; P768-P1146 WeakPolarHBondContact CG-O 3.47Å
1147	I	93	Very high	91.4	Very high	114 Å²	114	33 Å²	33	59%	0.585	18%	0.181	S	C	*	.	P	Polyproline II helix	trans	-70.6	151	172.9	60.8	171	0	0	0	110.4	N1137	N1137-I1147 HydrophobicContact CB-CB 4.32Å; N1137-I1147 HydrophobicContact CB-CG2 4.1Å
1148	T	90.7	Very high	90.8	Very high	22 Å²	22	33 Å²	33	14%	0.135	18%	0.184	C	C	.	.			trans	-112	136.6	-178.8	-57.2	0	0	0	0	110.6	P768 I772 N1137 V1152 V1153	P768-T1148 VanDerWaalsContact CB-OG1 3.25Å; P768-T1148 WeakPolarHBondContact CB-OG1 3.34Å; I772-T1148 HydrophobicContact CD1-CG2 4.11Å; N1137-T1148 PolarHBondContact ND2-O 2.9Å; N1137-T1148 PolarHBondContact OD1-N 2.96Å; N1137-T1148 PolarHBondContact OD1-O 2.94Å; T1148-V1152 HydrophobicContact CG2-CB 3.59Å; T1148-V1152 HydrophobicContact CG2-CG1 3.52Å; T1148-V1153 HydrophobicContact CG2-CG2 3.79Å
1149	A	89.3	Confident	90.1	Very high	50 Å²	50	36.2 Å²	36.2	41%	0.413	20%	0.196	S	C	.	.			trans	-63.7	146.8	177.9	0	0	0	0	0	111.8	H1151 V1152 V1153	A1149-H1151 VanDerWaalsContact C-N 3.32Å; A1149-H1151 PolarHBondContact O-N 3.32Å; A1149-V1152 HydrophobicContact CB-CG2 4.35Å; A1149-V1152 WeakPolarHBondContact O-CB 3.38Å; A1149-V1152 PolarHBondContact O-N 3Å; A1149-V1153 PolarHBondContact O-N 2.66Å
1150	R	88.8	Confident	89.4	Confident	77 Å²	77	36.6 Å²	36.6	29%	0.291	20%	0.198	S	C	.	.	H	α-helix	trans	-51.1	-45	-176.6	-175.2	-174.1	-178.8	-84.6	-1.8	113.6	D1124 V1129 D1130 T1133 V1152 V1153 K1154	D1124-R1150 IonicContact OD1-CZ 3.86Å; D1124-R1150 VanDerWaalsContact OD1-CZ 3.26Å; D1124-R1150 IonicContact OD1-NH1 3.03Å; D1124-R1150 PolarHBondContact OD1-NH1 3.17Å; D1124-R1150 IonicContact OD1-NH2 3.66Å; D1124-R1150 PolarHBondContact OD1-NH2 3.38Å; D1124-R1150 IonicContact OD2-NH1 3.97Å; V1129-R1150 HydrophobicContact CG1-CG 3.96Å; D1130-R1150 IonicContact OD1-CZ 3.62Å; D1130-R1150 IonicContact OD1-NE 2.75Å; D1130-R1150 PolarHBondContact OD1-NE 3.46Å; D1130-R1150 IonicContact OD1-NH2 3.77Å; D1130-R1150 PolarHBondContact OD1-NH2 3.01Å; T1133-R1150 HydrophobicContact CG2-CB 4.09Å; T1133-R1150 HydrophobicContact CG2-CG 4.36Å; R1150-V1152 VanDerWaalsContact C-N 3.33Å; R1150-V1152 PolarHBondContact O-N 2.81Å; R1150-V1153 PolarHBondContact O-N 3.26Å; R1150-K1154 WeakPolarHBondContact O-CB 3.48Å; R1150-K1154 PolarHBondContact O-N 3.4Å
1151	H	81.2	Confident	88.8	Confident	53 Å²	53	38.8 Å²	38.8	25%	0.245	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-33.1	-178.9	67.1	-92.2	0	0	0	112.6	R14 E19 A1149 K1154 R1155	R14-H1151 PolarHBondContact NE-CD2 3.49Å; R14-H1151 PolarHBondContact NH2-CE1 3.38Å; R14-H1151 VanDerWaalsContact NH2-CE1 3.26Å; R14-H1151 PolarHBondContact NH2-ND1 2.98Å; E19-H1151 IonicContact OE2-CE1 3.29Å; A1149-H1151 VanDerWaalsContact C-N 3.32Å; A1149-H1151 PolarHBondContact O-N 3.32Å; H1151-K1154 PolarHBondContact O-N 3.43Å; H1151-R1155 PolarHBondContact O-N 2.95Å
1152	V	85.3	Confident	88.4	Confident	36 Å²	36	36 Å²	36	22%	0.218	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-40.9	173.5	-178.6	0	0	0	0	110.2	T1148 A1149 R1150 K1154 R1155 I1156	T1148-V1152 HydrophobicContact CG2-CB 3.59Å; T1148-V1152 HydrophobicContact CG2-CG1 3.52Å; A1149-V1152 HydrophobicContact CB-CG2 4.35Å; A1149-V1152 WeakPolarHBondContact O-CB 3.38Å; A1149-V1152 PolarHBondContact O-N 3Å; R1150-V1152 VanDerWaalsContact C-N 3.33Å; R1150-V1152 PolarHBondContact O-N 2.81Å; V1152-K1154 PolarHBondContact O-N 3Å; V1152-R1155 WeakPolarHBondContact O-CB 3.49Å; V1152-R1155 PolarHBondContact O-N 3.42Å; V1152-I1156 HydrophobicContact CG1-CD1 3.94Å; V1152-I1156 WeakPolarHBondContact O-CG1 3.5Å; V1152-I1156 PolarHBondContact O-N 3.43Å
1153	V	90.1	Very high	88.2	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-43.9	172.8	179.7	0	0	0	0	111.2	I772 V1132 T1133 T1148 A1149 R1150 R1155 I1156 A1157	I772-V1153 HydrophobicContact CD1-CB 4.46Å; I772-V1153 HydrophobicContact CD1-CG2 3.94Å; I772-V1153 HydrophobicContact CG1-CG1 4.27Å; I772-V1153 HydrophobicContact CG1-CG2 4.12Å; I772-V1153 HydrophobicContact CG2-CG1 4.06Å; V1132-V1153 HydrophobicContact CB-CG1 4.4Å; V1132-V1153 HydrophobicContact CG1-CG1 3.79Å; T1133-V1153 HydrophobicContact CG2-CB 4.48Å; T1133-V1153 HydrophobicContact CG2-CG2 4.13Å; T1148-V1153 HydrophobicContact CG2-CG2 3.79Å; A1149-V1153 PolarHBondContact O-N 2.66Å; R1150-V1153 PolarHBondContact O-N 3.26Å; V1153-R1155 VanDerWaalsContact C-N 3.33Å; V1153-R1155 PolarHBondContact O-N 3.17Å; V1153-I1156 PolarHBondContact O-N 3.37Å; V1153-A1157 HydrophobicContact CG1-CB 4.42Å; V1153-A1157 WeakPolarHBondContact O-CB 3.39Å; V1153-A1157 PolarHBondContact O-N 3.15Å
1154	K	88.9	Confident	88.2	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-44.4	175.3	-177.6	171.7	168.7	173.1	0	111.6	D7 K1121 D1124 V1129 R1150 H1151 V1152 G1158 I1160	D7-K1154 WeakPolarHBondContact OD2-CD 3.03Å; D7-K1154 WeakPolarHBondContact OD2-CE 3.39Å; D7-K1154 IonicContact OD2-NZ 3.1Å; D7-K1154 PolarHBondContact OD2-NZ 3.41Å; K1121-K1154 WeakPolarHBondContact O-CE 3.23Å; D1124-K1154 IonicContact OD1-NZ 2.78Å; D1124-K1154 PolarHBondContact OD1-NZ 3.23Å; D1124-K1154 IonicContact OD2-NZ 3.18Å; D1124-K1154 PolarHBondContact OD2-NZ 2.63Å; V1129-K1154 HydrophobicContact CG1-CB 3.81Å; V1129-K1154 HydrophobicContact CG1-CD 4.49Å; V1129-K1154 HydrophobicContact CG1-CG 4.3Å; V1129-K1154 HydrophobicContact CG2-CB 4.41Å; V1129-K1154 HydrophobicContact CG2-CD 4.37Å; V1129-K1154 HydrophobicContact CG2-CG 4.09Å; R1150-K1154 WeakPolarHBondContact O-CB 3.48Å; R1150-K1154 PolarHBondContact O-N 3.4Å; H1151-K1154 PolarHBondContact O-N 3.43Å; V1152-K1154 PolarHBondContact O-N 3Å; K1154-G1158 VanDerWaalsContact O-CA 3.28Å; K1154-G1158 WeakPolarHBondContact O-CA 3.49Å; K1154-G1158 PolarHBondContact O-N 3.36Å; K1154-I1160 HydrophobicContact CG-CD1 3.98Å
1155	R	84.2	Confident	88.5	Confident	79 Å²	79	33.7 Å²	33.7	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-56.8	-55.2	174.8	-178	-176.6	76.1	-178.6	4	111.7	C15 H1151 V1152 V1153 R1159 I1160	C15-R1155 HydrophobicContact CB-CG 4.38Å; C15-R1155 WeakPolarHBondContact SG-CD 3.36Å; C15-R1155 WeakPolarHBondContact SG-CG 3.49Å; H1151-R1155 PolarHBondContact O-N 2.95Å; V1152-R1155 WeakPolarHBondContact O-CB 3.49Å; V1152-R1155 PolarHBondContact O-N 3.42Å; V1153-R1155 VanDerWaalsContact C-N 3.33Å; V1153-R1155 PolarHBondContact O-N 3.17Å; R1155-R1159 PolarHBondContact O-N 2.87Å; R1155-R1159 VanDerWaalsContact O-N 3.12Å; R1155-I1160 HydrophobicContact CG-CB 4.49Å; R1155-I1160 PolarHBondContact O-N 2.92Å
1156	I	86.2	Confident	88.8	Confident	15 Å²	15	33.2 Å²	33.2	8%	0.077	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-55.4	-175.1	-62.7	171.7	0	0	0	110.6	I769 I772 V1152 V1153 G1158 R1159	I769-I1156 HydrophobicContact CD1-CG2 4.1Å; I769-I1156 HydrophobicContact CG1-CG2 4.04Å; I772-I1156 HydrophobicContact CB-CG2 4.32Å; I772-I1156 HydrophobicContact CD1-CB 4.32Å; I772-I1156 HydrophobicContact CD1-CD1 3.64Å; I772-I1156 HydrophobicContact CD1-CG2 4.36Å; I772-I1156 HydrophobicContact CG2-CB 4.12Å; I772-I1156 HydrophobicContact CG2-CG2 3.75Å; V1152-I1156 HydrophobicContact CG1-CD1 3.94Å; V1152-I1156 WeakPolarHBondContact O-CG1 3.5Å; V1152-I1156 PolarHBondContact O-N 3.43Å; V1153-I1156 PolarHBondContact O-N 3.37Å; I1156-G1158 VanDerWaalsContact C-N 3.32Å; I1156-G1158 PolarHBondContact O-N 2.9Å; I1156-R1159 PolarHBondContact O-N 2.91Å; I1156-R1159 VanDerWaalsContact O-N 3.12Å
1157	A	88.4	Confident	89.2	Confident	1 Å²	1	29 Å²	29	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-35.6	-177.1	0	0	0	0	0	112.8	I772 R776 F1119 V1132 V1153 R1159	I772-A1157 HydrophobicContact CG2-CB 3.95Å; R776-A1157 VanDerWaalsContact CZ-O 3.31Å; R776-A1157 PolarHBondContact NE-O 3.32Å; R776-A1157 PolarHBondContact NH1-O 2.87Å; F1119-A1157 HydrophobicContact CE1-CB 4.42Å; F1119-A1157 HydrophobicContact CZ-CB 4.16Å; V1132-A1157 HydrophobicContact CG1-CB 3.76Å; V1153-A1157 HydrophobicContact CG1-CB 4.42Å; V1153-A1157 WeakPolarHBondContact O-CB 3.39Å; V1153-A1157 PolarHBondContact O-N 3.15Å; A1157-R1159 VanDerWaalsContact C-N 3.3Å
1158	G	84.9	Confident	89.4	Confident	12 Å²	12	23.6 Å²	23.6	12%	0.124	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.8	177	0	0	0	0	0	114.5	K1121 K1154 I1156 I1160	K1121-G1158 VanDerWaalsContact CD-O 3.26Å; K1121-G1158 WeakPolarHBondContact CD-O 3.25Å; K1154-G1158 VanDerWaalsContact O-CA 3.28Å; K1154-G1158 WeakPolarHBondContact O-CA 3.49Å; K1154-G1158 PolarHBondContact O-N 3.36Å; I1156-G1158 VanDerWaalsContact C-N 3.32Å; I1156-G1158 PolarHBondContact O-N 2.9Å; G1158-I1160 PolarHBondContact O-N 3.35Å
1159	R	83.8	Confident	89.8	Confident	69 Å²	69	22.6 Å²	22.6	26%	0.26	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	47.8	-171.7	-57.9	-174.8	175.9	170.7	3.5	111.1	D744 N748 R776 R1155 I1156 A1157 V1161	D744-R1159 IonicContact OD2-CZ 3.99Å; D744-R1159 IonicContact OD2-NE 2.87Å; D744-R1159 IonicContact OD2-NH1 3.09Å; N748-R1159 WeakPolarHBondContact ND2-CD 3.44Å; R776-R1159 VanDerWaalsContact NH2-NE 3.16Å; R1155-R1159 PolarHBondContact O-N 2.87Å; R1155-R1159 VanDerWaalsContact O-N 3.12Å; I1156-R1159 PolarHBondContact O-N 2.91Å; I1156-R1159 VanDerWaalsContact O-N 3.12Å; A1157-R1159 VanDerWaalsContact C-N 3.3Å; R1159-V1161 PolarHBondContact O-N 3.2Å
1160	I	83.3	Confident	90.2	Very high	11 Å²	11	20.2 Å²	20.2	6%	0.056	10%	0.097	C	C	.	.			trans	-72.9	113.2	-177.2	-62.2	-177.6	0	0	0	108.3	R12 K1121 K1154 R1155 G1158 P1162	R12-I1160 HydrophobicContact CG-CG2 3.78Å; K1121-I1160 HydrophobicContact CD-CD1 4.38Å; K1121-I1160 HydrophobicContact CD-CG1 3.92Å; K1154-I1160 HydrophobicContact CG-CD1 3.98Å; R1155-I1160 HydrophobicContact CG-CB 4.49Å; R1155-I1160 PolarHBondContact O-N 2.92Å; G1158-I1160 PolarHBondContact O-N 3.35Å; I1160-P1162 VanDerWaalsContact O-CD 3.27Å; I1160-P1162 WeakPolarHBondContact O-CD 3.01Å
1161	V	84	Confident	90.7	Very high	48 Å²	48	16.6 Å²	16.6	29%	0.291	8%	0.083	S	C	.	.			trans	-68.9	117.2	170.1	-177.2	0	0	0	0	108.5	L716 N746 R1159	L716-V1161 HydrophobicContact CD1-CG1 3.66Å; N746-V1161 WeakPolarHBondContact O-CG2 3.44Å; R1159-V1161 PolarHBondContact O-N 3.2Å
1162	P	88.9	Confident	91.5	Very high	7 Å²	7	14 Å²	14	5%	0.045	7%	0.071	C	C	.	.			trans	-62.1	142.1	176	-24	37.6	0	0	0	110.5	C15 V16 G717 I749 I1160	C15-P1162 HydrophobicContact CB-CB 3.86Å; C15-P1162 HydrophobicContact CB-CG 3.75Å; V16-P1162 HydrophobicContact CG2-CB 3.53Å; G717-P1162 PolarHBondContact N-O 3.46Å; I749-P1162 HydrophobicContact CD1-CB 4.4Å; I749-P1162 HydrophobicContact CD1-CG 3.33Å; I1160-P1162 VanDerWaalsContact O-CD 3.27Å; I1160-P1162 WeakPolarHBondContact O-CD 3.01Å
1163	A	92.8	Very high	92.2	Very high	8 Å²	8	12.3 Å²	12.3	7%	0.066	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-156.3	148.9	-177.3	0	0	0	0	0	110.7	R12 Q13	R12-A1163 CarbonylContact C-O 3.49Å; R12-A1163 HydrophobicContact CB-CB 4.32Å; R12-A1163 PolarHBondContact O-N 3.01Å; Q13-A1163 PolarHBondContact N-O 3.41Å
1164	I	95.2	Very high	92.6	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.01	6%	0.061	C	C	.	.			trans	-142.5	148.5	178.4	-167.4	167.1	0	0	0	110.4	Q13 L17 M388 G717 T1166 T1168	Q13-I1164 HydrophobicContact CG-CD1 4.2Å; Q13-I1164 HydrophobicContact CG-CG1 4.27Å; L17-I1164 HydrophobicContact CD1-CD1 4.46Å; M388-I1164 HydrophobicContact CE-CD1 3.57Å; M388-I1164 HydrophobicContact SD-CD1 4.13Å; G717-I1164 WeakPolarHBondContact O-CG2 3.39Å; I1164-T1166 VanDerWaalsContact C-N 3.32Å; I1164-T1166 VanDerWaalsContact CG2-OG1 3.32Å; I1164-T1166 WeakPolarHBondContact CG2-OG1 3.24Å; I1164-T1166 PolarHBondContact O-N 3.35Å; I1164-T1168 PolarHBondContact O-N 2.68Å; I1164-T1168 PolarHBondContact O-OG1 3.47Å
1165	A	97.4	Very high	93	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-33.5	-175.9	0	0	0	0	0	113.2	L48 R608 T1168 A1169	L48-A1165 HydrophobicContact CB-CB 4.29Å; L48-A1165 HydrophobicContact CD1-CB 3.94Å; R608-A1165 HydrophobicContact CB-CB 4.31Å; A1165-T1168 WeakPolarHBondContact O-CB 3.46Å; A1165-T1168 PolarHBondContact O-N 2.89Å; A1165-A1169 PolarHBondContact O-N 2.84Å
1166	T	98.3	Very high	93.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-58.4	-58.1	-179.5	48.3	0	0	0	0	111.9	G381 A384 Q385 M388 I1164 T1168 A1169 T1170	G381-T1166 WeakPolarHBondContact O-CB 3.43Å; G381-T1166 WeakPolarHBondContact O-CG2 3.28Å; A384-T1166 HydrophobicContact CB-CG2 3.88Å; Q385-T1166 HydrophobicContact CB-CG2 4.11Å; Q385-T1166 PolarHBondContact OE1-OG1 3.39Å; M388-T1166 HydrophobicContact SD-CG2 4.15Å; I1164-T1166 VanDerWaalsContact C-N 3.32Å; I1164-T1166 VanDerWaalsContact CG2-OG1 3.32Å; I1164-T1166 WeakPolarHBondContact CG2-OG1 3.24Å; I1164-T1166 PolarHBondContact O-N 3.35Å; T1166-T1168 VanDerWaalsContact C-N 3.26Å; T1166-T1168 PolarHBondContact O-N 3.47Å; T1166-A1169 PolarHBondContact O-N 3.32Å; T1166-T1170 PolarHBondContact O-N 3.42Å; T1166-T1170 PolarHBondContact O-OG1 3.23Å
1167	T	98.4	Very high	94.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.2	-37.7	176.9	-60.1	0	0	0	0	112.1	T715 G717 T718 K719 T1170 V1171 L1232	T715-T1167 HydrophobicContact CG2-CG2 3.92Å; G717-T1167 PolarHBondContact O-OG1 3.11Å; T718-T1167 WeakPolarHBondContact CA-OG1 3.33Å; T718-T1167 PolarHBondContact O-OG1 3Å; K719-T1167 WeakPolarHBondContact O-CG2 3.25Å; T1167-T1170 PolarHBondContact O-N 3.03Å; T1167-V1171 HydrophobicContact CG2-CG2 4.42Å; T1167-V1171 WeakPolarHBondContact O-CB 3.4Å; T1167-V1171 WeakPolarHBondContact O-CG2 3.28Å; T1167-V1171 PolarHBondContact O-N 2.83Å; T1167-L1232 HydrophobicContact CG2-CD1 4.07Å
1168	T	98	Very high	94.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-64	-45.5	177.9	-53.5	0	0	0	0	111.7	A456 I457 E460 I1164 A1165 T1166 A1172	A456-T1168 HydrophobicContact CB-CG2 3.66Å; A456-T1168 VanDerWaalsContact O-CG2 3.28Å; A456-T1168 WeakPolarHBondContact O-CG2 3.15Å; I457-T1168 HydrophobicContact CB-CG2 4.48Å; I457-T1168 HydrophobicContact CG1-CG2 4.02Å; E460-T1168 HydrophobicContact CG-CG2 3.86Å; I1164-T1168 PolarHBondContact O-N 2.68Å; I1164-T1168 PolarHBondContact O-OG1 3.47Å; A1165-T1168 WeakPolarHBondContact O-CB 3.46Å; A1165-T1168 PolarHBondContact O-N 2.89Å; T1166-T1168 VanDerWaalsContact C-N 3.26Å; T1166-T1168 PolarHBondContact O-N 3.47Å; T1168-A1172 WeakPolarHBondContact O-CB 3.37Å; T1168-A1172 PolarHBondContact O-N 3.39Å
1169	A	98.5	Very high	95.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.8	-42.3	177.3	0	0	0	0	0	111.6	A1165 T1166 G1173	A1165-A1169 PolarHBondContact O-N 2.84Å; T1166-A1169 PolarHBondContact O-N 3.32Å; A1169-G1173 PolarHBondContact O-N 2.95Å
1170	T	98.7	Very high	95.8	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.006	3%	0.028	C	C	.	.	H	α-helix	trans	-62.6	-49	176.8	-56.2	0	0	0	0	112	I378 I382 T1166 T1167 A1172 G1173 L1174 L1232	I378-T1170 HydrophobicContact CG2-CG2 4.34Å; I378-T1170 PolarHBondContact O-OG1 3.11Å; I382-T1170 HydrophobicContact CD1-CG2 4.16Å; I382-T1170 HydrophobicContact CG1-CG2 4.05Å; T1166-T1170 PolarHBondContact O-N 3.42Å; T1166-T1170 PolarHBondContact O-OG1 3.23Å; T1167-T1170 PolarHBondContact O-N 3.03Å; T1170-A1172 PolarHBondContact O-N 2.91Å; T1170-G1173 PolarHBondContact O-N 3.3Å; T1170-L1174 HydrophobicContact CG2-CD1 4.29Å; T1170-L1174 WeakPolarHBondContact O-CG 3.32Å; T1170-L1174 PolarHBondContact O-N 3.02Å; T1170-L1232 HydrophobicContact CG2-CD2 4.06Å
1171	V	98.7	Very high	96.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61.3	-45.8	178	169	0	0	0	0	111.4	I457 T715 V722 T1167 G1173 L1174 V1175 L1232	I457-V1171 HydrophobicContact CD1-CG1 4.36Å; T715-V1171 HydrophobicContact CG2-CB 4.16Å; T715-V1171 HydrophobicContact CG2-CG1 4.42Å; T715-V1171 HydrophobicContact CG2-CG2 3.86Å; V722-V1171 HydrophobicContact CG2-CG1 4.01Å; T1167-V1171 HydrophobicContact CG2-CG2 4.42Å; T1167-V1171 WeakPolarHBondContact O-CB 3.4Å; T1167-V1171 WeakPolarHBondContact O-CG2 3.28Å; T1167-V1171 PolarHBondContact O-N 2.83Å; V1171-G1173 VanDerWaalsContact C-N 3.31Å; V1171-G1173 PolarHBondContact O-N 3.49Å; V1171-L1174 WeakPolarHBondContact O-CB 3.39Å; V1171-L1174 PolarHBondContact O-N 3.31Å; V1171-L1174 VanDerWaalsContact O-N 3.16Å; V1171-V1175 WeakPolarHBondContact O-CG2 3.33Å; V1171-V1175 PolarHBondContact O-N 3.49Å; V1171-L1232 HydrophobicContact CG2-CD2 3.9Å
1172	A	98.7	Very high	96.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.8	-35.8	179	0	0	0	0	0	112.9	E460 L461 T1168 T1170 C1176	E460-A1172 HydrophobicContact CB-CB 3.35Å; E460-A1172 HydrophobicContact CG-CB 4.41Å; L461-A1172 HydrophobicContact CD2-CB 3.97Å; L461-A1172 HydrophobicContact CG-CB 4.26Å; T1168-A1172 WeakPolarHBondContact O-CB 3.37Å; T1168-A1172 PolarHBondContact O-N 3.39Å; T1170-A1172 PolarHBondContact O-N 2.91Å; A1172-C1176 PolarHBondContact O-N 3.41Å; A1172-C1176 VanDerWaalsContact O-N 3.13Å; A1172-C1176 PolarHBondContact O-SG 2.9Å
1173	G	98.4	Very high	96.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65	-42.8	172.3	0	0	0	0	0	112.3	A1169 T1170 V1171 C1176 L1177	A1169-G1173 PolarHBondContact O-N 2.95Å; T1170-G1173 PolarHBondContact O-N 3.3Å; V1171-G1173 VanDerWaalsContact C-N 3.31Å; V1171-G1173 PolarHBondContact O-N 3.49Å; G1173-C1176 PolarHBondContact O-N 3.22Å; G1173-L1177 PolarHBondContact O-N 3.36Å
1174	L	98.6	Very high	96.9	Very high	2 Å²	2	3.7 Å²	3.7	1%	0.01	2%	0.018	C	C	.	.	H	α-helix	trans	-62	-43.6	175.4	-70.8	169.8	0	0	0	112.3	I378 V722 T1170 V1171 C1176 L1177 E1178 L1232 L1239 F1241	I378-L1174 HydrophobicContact CD1-CD2 3.8Å; I378-L1174 HydrophobicContact CD1-CG 4.06Å; I378-L1174 HydrophobicContact CG1-CD2 4.37Å; I378-L1174 HydrophobicContact CG1-CG 4.18Å; V722-L1174 HydrophobicContact CG2-CB 3.8Å; T1170-L1174 HydrophobicContact CG2-CD1 4.29Å; T1170-L1174 WeakPolarHBondContact O-CG 3.32Å; T1170-L1174 PolarHBondContact O-N 3.02Å; V1171-L1174 WeakPolarHBondContact O-CB 3.39Å; V1171-L1174 PolarHBondContact O-N 3.31Å; V1171-L1174 VanDerWaalsContact O-N 3.16Å; L1174-C1176 VanDerWaalsContact C-N 3.28Å; L1174-C1176 PolarHBondContact O-N 3.5Å; L1174-L1177 WeakPolarHBondContact O-CB 3.39Å; L1174-L1177 PolarHBondContact O-N 2.83Å; L1174-L1177 VanDerWaalsContact O-N 3.14Å; L1174-E1178 PolarHBondContact O-N 2.85Å; L1174-E1178 VanDerWaalsContact O-N 3.14Å; L1174-L1232 HydrophobicContact CD1-CD2 3.6Å; L1174-L1239 HydrophobicContact CD1-CD1 4.02Å; L1174-F1241 HydrophobicContact CD2-CE1 3.76Å; L1174-F1241 HydrophobicContact CD2-CZ 4.04Å
1175	V	98.7	Very high	96.6	Very high	1 Å²	1	4 Å²	4	1%	0.006	2%	0.019	C	C	.	.	H	α-helix	trans	-55.4	-44.8	172.7	169.4	0	0	0	0	111	L461 L687 I711 V722 V1171 L1177 E1178 L1179	L461-V1175 HydrophobicContact CD2-CB 3.82Å; L461-V1175 HydrophobicContact CD2-CG1 3.56Å; L687-V1175 HydrophobicContact CD2-CG1 4.02Å; I711-V1175 HydrophobicContact CB-CG1 4.37Å; I711-V1175 HydrophobicContact CG2-CB 4.29Å; I711-V1175 HydrophobicContact CG2-CG1 3.82Å; I711-V1175 HydrophobicContact CG2-CG2 4.12Å; V722-V1175 HydrophobicContact CB-CG2 4.48Å; V722-V1175 HydrophobicContact CG1-CG2 3.92Å; V722-V1175 HydrophobicContact CG2-CG2 3.76Å; V1171-V1175 WeakPolarHBondContact O-CG2 3.33Å; V1171-V1175 PolarHBondContact O-N 3.49Å; V1175-L1177 VanDerWaalsContact C-N 3.34Å; V1175-L1177 PolarHBondContact O-N 2.93Å; V1175-E1178 PolarHBondContact O-N 3.44Å; V1175-L1179 WeakPolarHBondContact O-CB 3.26Å; V1175-L1179 PolarHBondContact O-N 3.45Å
1176	C	98.3	Very high	95.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-71.5	-26	-179.6	-65.8	0	0	0	0	113.1	P374 N464 L468 A1172 G1173 L1174 L1179 L1180	P374-C1176 HydrophobicContact CB-CB 3.83Å; P374-C1176 HydrophobicContact CG-CB 3.55Å; N464-C1176 HydrophobicContact CB-CB 4.4Å; N464-C1176 WeakPolarHBondContact CB-SG 3.27Å; L468-C1176 HydrophobicContact CD1-CB 4.32Å; A1172-C1176 PolarHBondContact O-N 3.41Å; A1172-C1176 VanDerWaalsContact O-N 3.13Å; A1172-C1176 PolarHBondContact O-SG 2.9Å; G1173-C1176 PolarHBondContact O-N 3.22Å; L1174-C1176 VanDerWaalsContact C-N 3.28Å; L1174-C1176 PolarHBondContact O-N 3.5Å; C1176-L1179 WeakPolarHBondContact O-CB 3.42Å; C1176-L1180 VanDerWaalsContact O-CG 3.28Å; C1176-L1180 WeakPolarHBondContact O-CG 3.47Å; C1176-L1180 PolarHBondContact O-N 3.24Å
1177	L	97.6	Very high	94	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.026	5%	0.045	C	C	.	.	H	α-helix	trans	-66.6	-44.5	169.9	-69.2	-174.4	0	0	0	111.4	L372 P374 L375 I378 C406 G1173 L1174 V1175 L1179 L1180 K1181	L372-L1177 HydrophobicContact CD1-CD2 4.41Å; P374-L1177 HydrophobicContact CB-CD2 3.78Å; P374-L1177 HydrophobicContact CB-CG 4.13Å; L375-L1177 HydrophobicContact CD2-CD1 3.95Å; L375-L1177 HydrophobicContact CD2-CD2 4.39Å; L375-L1177 HydrophobicContact CG-CD2 4.26Å; I378-L1177 HydrophobicContact CD1-CD1 3.44Å; I378-L1177 VanDerWaalsContact CD1-CD1 3.44Å; I378-L1177 HydrophobicContact CD1-CG 4Å; C406-L1177 HydrophobicContact CB-CD1 4.4Å; C406-L1177 HydrophobicContact CB-CD2 3.94Å; G1173-L1177 PolarHBondContact O-N 3.36Å; L1174-L1177 WeakPolarHBondContact O-CB 3.39Å; L1174-L1177 PolarHBondContact O-N 2.83Å; L1174-L1177 VanDerWaalsContact O-N 3.14Å; V1175-L1177 VanDerWaalsContact C-N 3.34Å; V1175-L1177 PolarHBondContact O-N 2.93Å; L1177-L1179 VanDerWaalsContact C-N 3.33Å; L1177-L1180 PolarHBondContact O-N 3.43Å; L1177-K1181 WeakPolarHBondContact O-CG 3.24Å; L1177-K1181 PolarHBondContact O-N 3.02Å
1178	E	97.4	Very high	91.7	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.019	7%	0.068	C	C	.	.	H	α-helix	trans	-66.8	-35.8	176.9	-63.4	-53.1	123.9	0	0	112	I711 V722 V724 L1174 V1175 L1180 K1181 Y1182 S1227 R1228	I711-E1178 HydrophobicContact CD1-CB 4.02Å; V722-E1178 HydrophobicContact CG1-CG 4.46Å; V724-E1178 HydrophobicContact CG2-CB 3.81Å; V724-E1178 HydrophobicContact CG2-CG 3.68Å; L1174-E1178 PolarHBondContact O-N 2.85Å; L1174-E1178 VanDerWaalsContact O-N 3.14Å; V1175-E1178 PolarHBondContact O-N 3.44Å; E1178-L1180 PolarHBondContact O-N 3.39Å; E1178-K1181 PolarHBondContact O-N 2.91Å; E1178-K1181 WeakPolarHBondContact OE1-CD 3.15Å; E1178-K1181 WeakPolarHBondContact OE1-CE 3.47Å; E1178-K1181 IonicContact OE1-NZ 2.77Å; E1178-K1181 PolarHBondContact OE1-NZ 3.23Å; E1178-K1181 IonicContact OE2-NZ 3.22Å; E1178-Y1182 WeakPolarHBondContact O-CB 3.21Å; E1178-Y1182 PolarHBondContact O-N 3.48Å; E1178-S1227 WeakPolarHBondContact OE2-CA 3.46Å; E1178-R1228 VanDerWaalsContact CD-O 3.26Å; E1178-R1228 PolarHBondContact OE2-N 3.45Å
1179	L	96.4	Very high	88.9	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-55.9	-49.7	169.6	178.7	70.7	0	0	0	111.5	L447 L465 I685 I711 V1175 C1176 L1177 K1181 Y1182 V1183	L447-L1179 HydrophobicContact CD2-CD1 3.81Å; L447-L1179 HydrophobicContact CD2-CD2 4.49Å; L447-L1179 HydrophobicContact CD2-CG 4.33Å; L465-L1179 HydrophobicContact CD2-CD2 3.54Å; I685-L1179 HydrophobicContact CB-CD1 4.48Å; I685-L1179 HydrophobicContact CD1-CD1 3.82Å; I685-L1179 HydrophobicContact CG2-CD1 3.5Å; I711-L1179 HydrophobicContact CD1-CB 4.17Å; V1175-L1179 WeakPolarHBondContact O-CB 3.26Å; V1175-L1179 PolarHBondContact O-N 3.45Å; C1176-L1179 WeakPolarHBondContact O-CB 3.42Å; L1177-L1179 VanDerWaalsContact C-N 3.33Å; L1179-K1181 PolarHBondContact O-N 2.95Å; L1179-Y1182 PolarHBondContact O-N 3.37Å; L1179-V1183 HydrophobicContact CD1-CG2 4.34Å; L1179-V1183 VanDerWaalsContact O-CG2 3.23Å; L1179-V1183 WeakPolarHBondContact O-CG2 3.46Å; L1179-V1183 PolarHBondContact O-N 2.79Å
1180	L	95.5	Very high	85.7	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-44	179.1	-72	172.7	0	0	0	111.5	P374 I409 I444 L468 C1176 L1177 E1178 Y1182 V1183 I1184	P374-L1180 HydrophobicContact CG-CD1 4.23Å; I409-L1180 HydrophobicContact CD1-CB 4.48Å; I409-L1180 HydrophobicContact CD1-CD1 4.13Å; I409-L1180 HydrophobicContact CG2-CB 4.23Å; I444-L1180 HydrophobicContact CD1-CD2 3.41Å; I444-L1180 VanDerWaalsContact CD1-CD2 3.41Å; I444-L1180 HydrophobicContact CG1-CD2 4.16Å; L468-L1180 HydrophobicContact CD1-CD2 4.3Å; L468-L1180 HydrophobicContact CD1-CG 4.43Å; L468-L1180 HydrophobicContact CD2-CD1 4.28Å; L468-L1180 HydrophobicContact CD2-CD2 4.27Å; C1176-L1180 VanDerWaalsContact O-CG 3.28Å; C1176-L1180 WeakPolarHBondContact O-CG 3.47Å; C1176-L1180 PolarHBondContact O-N 3.24Å; L1177-L1180 PolarHBondContact O-N 3.43Å; E1178-L1180 PolarHBondContact O-N 3.39Å; L1180-Y1182 PolarHBondContact O-N 3.48Å; L1180-V1183 PolarHBondContact O-N 3.23Å; L1180-I1184 VanDerWaalsContact O-CB 3.26Å; L1180-I1184 WeakPolarHBondContact O-CB 3.44Å; L1180-I1184 VanDerWaalsContact O-CG1 3.29Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.45Å; L1180-I1184 PolarHBondContact O-N 2.75Å
1181	K	95.3	Very high	82.4	Confident	19 Å²	19	30.9 Å²	30.9	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-58.7	-47.7	175.4	-69.3	172.5	-178.2	179.6	0	111.5	C406 I409 L1177 E1178 L1179 N1185 K1226	C406-K1181 VanDerWaalsContact SG-CE 3.51Å; I409-K1181 HydrophobicContact CG2-CG 4.05Å; L1177-K1181 WeakPolarHBondContact O-CG 3.24Å; L1177-K1181 PolarHBondContact O-N 3.02Å; E1178-K1181 PolarHBondContact O-N 2.91Å; E1178-K1181 WeakPolarHBondContact OE1-CD 3.15Å; E1178-K1181 WeakPolarHBondContact OE1-CE 3.47Å; E1178-K1181 IonicContact OE1-NZ 2.77Å; E1178-K1181 PolarHBondContact OE1-NZ 3.23Å; E1178-K1181 IonicContact OE2-NZ 3.22Å; L1179-K1181 PolarHBondContact O-N 2.95Å; K1181-N1185 VanDerWaalsContact O-CB 3.23Å; K1181-N1185 WeakPolarHBondContact O-CB 3.29Å; K1181-N1185 PolarHBondContact O-N 2.92Å; K1181-K1226 WeakPolarHBondContact CD-O 3.38Å; K1181-K1226 PolarHBondContact NZ-O 3.31Å; K1181-K1226 VanDerWaalsContact NZ-O 3.17Å
1182	Y	93.6	Very high	79	Confident	20 Å²	20	39 Å²	39	8%	0.078	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-52.3	177.2	173	-103.7	0	0	0	111.5	H683 I685 P709 L726 E1178 L1179 L1180 I1184 N1186	H683-Y1182 PolarHBondContact O-OH 3.13Å; I685-Y1182 HydrophobicContact CB-CE1 4.44Å; I685-Y1182 HydrophobicContact CD1-CD1 3.8Å; I685-Y1182 HydrophobicContact CD1-CE1 4.27Å; I685-Y1182 HydrophobicContact CD1-CG 4.29Å; P709-Y1182 HydrophobicContact CB-CE2 4.12Å; P709-Y1182 HydrophobicContact CG-CE1 4.17Å; P709-Y1182 HydrophobicContact CG-CE2 4.34Å; P709-Y1182 WeakPolarHBondContact CG-OH 3.2Å; L726-Y1182 HydrophobicContact CD2-CD2 3.71Å; L726-Y1182 HydrophobicContact CD2-CE2 4.03Å; E1178-Y1182 WeakPolarHBondContact O-CB 3.21Å; E1178-Y1182 PolarHBondContact O-N 3.48Å; L1179-Y1182 PolarHBondContact O-N 3.37Å; L1180-Y1182 PolarHBondContact O-N 3.48Å; Y1182-I1184 VanDerWaalsContact C-N 3.35Å; Y1182-I1184 PolarHBondContact O-N 3.03Å; Y1182-N1186 HydrophobicContact CD2-CB 4.48Å; Y1182-N1186 HydrophobicContact CE2-CB 4.43Å; Y1182-N1186 WeakPolarHBondContact CE2-ND2 3.47Å; Y1182-N1186 WeakPolarHBondContact O-CB 3.2Å; Y1182-N1186 PolarHBondContact O-N 3.25Å; Y1182-N1186 PolarHBondContact OH-ND2 2.91Å
1183	V	91.7	Very high	75.5	Confident	11 Å²	11	43 Å²	43	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-39	-175.4	174.9	0	0	0	0	112.3	K443 I444 L447 L1179 L1180	K443-V1183 HydrophobicContact CB-CG1 3.74Å; I444-V1183 HydrophobicContact CG1-CG1 4.18Å; L447-V1183 HydrophobicContact CD1-CG2 3.96Å; L447-V1183 HydrophobicContact CD2-CG2 3.57Å; L447-V1183 HydrophobicContact CG-CG2 4.33Å; L1179-V1183 HydrophobicContact CD1-CG2 4.34Å; L1179-V1183 VanDerWaalsContact O-CG2 3.23Å; L1179-V1183 WeakPolarHBondContact O-CG2 3.46Å; L1179-V1183 PolarHBondContact O-N 2.79Å; L1180-V1183 PolarHBondContact O-N 3.23Å
1184	I	91.7	Very high	72	Confident	5 Å²	5	46 Å²	46	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-82.6	-47.6	-173.5	-67.1	172.8	0	0	0	111.4	I409 I436 N440 L1180 Y1182	I409-I1184 HydrophobicContact CB-CD1 3.78Å; I409-I1184 HydrophobicContact CG2-CD1 4.22Å; I436-I1184 HydrophobicContact CB-CD1 4.19Å; I436-I1184 HydrophobicContact CD1-CD1 4.22Å; I436-I1184 HydrophobicContact CG2-CD1 3.89Å; N440-I1184 HydrophobicContact CB-CD1 4.16Å; N440-I1184 HydrophobicContact CB-CG1 4Å; L1180-I1184 VanDerWaalsContact O-CB 3.26Å; L1180-I1184 WeakPolarHBondContact O-CB 3.44Å; L1180-I1184 VanDerWaalsContact O-CG1 3.29Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.45Å; L1180-I1184 PolarHBondContact O-N 2.75Å; Y1182-I1184 VanDerWaalsContact C-N 3.35Å; Y1182-I1184 PolarHBondContact O-N 3.03Å
1185	N	89.6	Confident	68.5	Low	7 Å²	7	55 Å²	55	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-85.3	-21.6	-170.8	-62.9	-20.9	0	0	0	113.7	S408 K1181 N1187 L1225	S408-N1185 PolarHBondContact O-OD1 2.92Å; K1181-N1185 VanDerWaalsContact O-CB 3.23Å; K1181-N1185 WeakPolarHBondContact O-CB 3.29Å; K1181-N1185 PolarHBondContact O-N 2.92Å; N1185-N1187 PolarHBondContact O-N 3.08Å; N1185-N1187 VanDerWaalsContact O-N 3.16Å; N1185-L1225 HydrophobicContact CB-CD2 4.13Å; N1185-L1225 PolarHBondContact ND2-O 2.81Å; N1185-L1225 VanDerWaalsContact ND2-O 3.1Å
1186	N	80.6	Confident	65.2	Low	55 Å²	55	61.2 Å²	61.2	29%	0.294	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.6	-176.6	-166.4	31.1	0	0	0	114.2	Y1182 L1225	Y1182-N1186 HydrophobicContact CD2-CB 4.48Å; Y1182-N1186 HydrophobicContact CE2-CB 4.43Å; Y1182-N1186 WeakPolarHBondContact CE2-ND2 3.47Å; Y1182-N1186 WeakPolarHBondContact O-CB 3.2Å; Y1182-N1186 PolarHBondContact O-N 3.25Å; Y1182-N1186 PolarHBondContact OH-ND2 2.91Å; N1186-L1225 HydrophobicContact CB-CD2 3.76Å
1187	N	60.8	Low	62	Low	48 Å²	48	63.6 Å²	63.6	26%	0.257	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	6.3	-172.3	-84.7	-57	0	0	0	115.7	K682 N1185 Y1189	K682-N1187 WeakPolarHBondContact CE-OD1 3.48Å; K682-N1187 PolarHBondContact NZ-OD1 3.35Å; N1185-N1187 PolarHBondContact O-N 3.08Å; N1185-N1187 VanDerWaalsContact O-N 3.16Å; N1187-Y1189 PolarHBondContact O-N 3.42Å; N1187-Y1189 VanDerWaalsContact O-N 3.13Å
1188	Q	49.4	Very low	58.7	Low	103 Å²	103	67.6 Å²	67.6	48%	0.481	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	2	-172.9	-77.2	-172.7	-7.1	0	0	115.9
1189	Y	38.3	Very low	55.9	Low	159 Å²	159	73.4 Å²	73.4	62%	0.624	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	12.8	-172.5	-93.2	-90.1	0	0	0	116.6	N1187 V1191 Q1224	N1187-Y1189 PolarHBondContact O-N 3.42Å; N1187-Y1189 VanDerWaalsContact O-N 3.13Å; Y1189-V1191 PolarHBondContact O-N 3.45Å; Y1189-Q1224 VanDerWaalsContact CD2-NE2 3.28Å; Y1189-Q1224 VanDerWaalsContact CE2-NE2 3.26Å
1190	D	31.9	Very low	52.9	Low	85 Å²	85	74.8 Å²	74.8	46%	0.455	44%	0.438	S	S	.	.			trans	-105.1	55.3	-175.9	-136.9	8.9	0	0	0	111.5	K682	K682-D1190 WeakPolarHBondContact CE-OD2 3.42Å; K682-D1190 IonicContact NZ-OD2 3.93Å; K682-D1190 PolarHBondContact NZ-OD2 3.03Å
1191	V	29.1	Very low	50	Low	120 Å²	120	77.4 Å²	77.4	73%	0.727	46%	0.457	S	S	*	.			trans	-141.3	109.6	165.5	-161.2	0	0	0	0	109.5	Y1189 G1193	Y1189-V1191 PolarHBondContact O-N 3.45Å; V1191-G1193 PolarHBondContact O-N 3.22Å
1192	N	27.7	Very low	47.1	Very low	170 Å²	170	84.7 Å²	84.7	91%	0.909	49%	0.491	S	S	*	.	S	Bend	trans	-47	111.6	158.9	-74.4	-49.7	0	0	0	109.9
1193	G	25	Very low	44.5	Very low	85 Å²	85	91.6 Å²	91.6	88%	0.876	52%	0.524	S	S	*	.	S	Bend	trans	67.1	66.5	157	0	0	0	0	0	117.6	V1191	V1191-G1193 PolarHBondContact O-N 3.22Å
1194	G	24.1	Very low	42	Very low	61 Å²	61	96 Å²	96	63%	0.629	54%	0.544	S	S	*	.	S	Bend	trans	178.4	107.2	164.4	0	0	0	0	0	114.1
1195	H	26.6	Very low	39.5	Very low	191 Å²	191	99.5 Å²	99.5	88%	0.884	56%	0.561	S	S	*	*			trans	58.7	95.5	172	-71.5	-29.3	0	0	0	117.7	G1197	H1195-G1197 PolarHBondContact O-N 3.06Å
1196	V	27.8	Very low	36.8	Very low	133 Å²	133	103.1 Å²	103.1	81%	0.806	59%	0.588	S	S	*	*			trans	-56.9	103.7	149.2	-178.7	0	0	0	0	107
1197	G	32.1	Very low	34.8	Very low	50 Å²	50	105.4 Å²	105.4	52%	0.515	60%	0.603	S	S	.	*			trans	-62	132.6	172.5	0	0	0	0	0	109.8	H1195 F1199	H1195-G1197 PolarHBondContact O-N 3.06Å; G1197-F1199 PolarHBondContact O-N 3.3Å
1198	S	27.2	Very low	33.6	Very low	89 Å²	89	108 Å²	108	62%	0.622	62%	0.616	S	S	*	*	S	Bend	trans	-55.3	101.4	-174	59.8	0	0	0	0	112.7
1199	F	39.5	Very low	33	Very low	125 Å²	125	107.4 Å²	107.4	55%	0.548	62%	0.619	S	S	.	*			trans	-129.1	11.9	175.9	-92.9	-86.4	0	0	0	114	G1197	G1197-F1199 PolarHBondContact O-N 3.3Å
1200	A	33.1	Very low	32.9	Very low	32 Å²	32	104 Å²	104	26%	0.264	62%	0.624	S	S	.	*	S	Bend	trans	-138.6	139	173.2	0	0	0	0	0	107.9	E1204 I1205	A1200-E1204 HydrophobicContact CB-CB 3.84Å; A1200-I1205 HydrophobicContact CB-CD1 4.15Å; A1200-I1205 HydrophobicContact CB-CG1 3.44Å; A1200-I1205 VanDerWaalsContact CB-CG1 3.44Å; A1200-I1205 WeakPolarHBondContact O-CD1 3.47Å
1201	S	35.8	Very low	32.9	Very low	58 Å²	58	104.8 Å²	104.8	41%	0.406	63%	0.632	S	S	.	*			trans	-56.2	151.9	166.8	57.5	0	0	0	0	109.6	E1203 E1204 I1205	S1201-E1203 PolarHBondContact O-N 2.74Å; S1201-E1204 PolarHBondContact N-OE2 3.41Å; S1201-E1204 PolarHBondContact O-N 3.25Å; S1201-E1204 WeakPolarHBondContact OG-CB 3.36Å; S1201-E1204 VanDerWaalsContact OG-CG 3.3Å; S1201-E1204 WeakPolarHBondContact OG-CG 3.42Å; S1201-E1204 PolarHBondContact OG-N 2.82Å; S1201-E1204 PolarHBondContact OG-OE2 3Å; S1201-I1205 WeakPolarHBondContact O-CG1 3.4Å; S1201-I1205 PolarHBondContact O-N 3.38Å
1202	E	34.2	Very low	32.9	Very low	172 Å²	172	105.4 Å²	105.4	80%	0.804	64%	0.636	S	S	*	*	H	α-helix	trans	-55.4	-25.8	177.3	-80.1	-175.5	154.6	0	0	112.4	S1206	E1202-S1206 WeakPolarHBondContact O-CB 3.22Å; E1202-S1206 PolarHBondContact O-N 3.2Å; E1202-S1206 VanDerWaalsContact O-N 3.1Å; E1202-S1206 PolarHBondContact O-OG 3.42Å
1203	E	38.1	Very low	33.1	Very low	165 Å²	165	102.7 Å²	102.7	77%	0.771	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-37.7	172.7	-83.8	-179.2	149.1	0	0	113.7	S1201 S1206 T1207	S1201-E1203 PolarHBondContact O-N 2.74Å; E1203-S1206 PolarHBondContact O-N 3.23Å; E1203-T1207 PolarHBondContact O-N 3.24Å; E1203-T1207 PolarHBondContact O-OG1 3.37Å
1204	E	40.6	Very low	33.7	Very low	104 Å²	104	104.1 Å²	104.1	49%	0.486	62%	0.618	S	S	.	*	H	α-helix	trans	-72.1	-36.4	173.9	-76.7	166.1	141.6	0	0	111.8	A1200 S1201 S1206 T1207 M1208	A1200-E1204 HydrophobicContact CB-CB 3.84Å; S1201-E1204 PolarHBondContact N-OE2 3.41Å; S1201-E1204 PolarHBondContact O-N 3.25Å; S1201-E1204 WeakPolarHBondContact OG-CB 3.36Å; S1201-E1204 VanDerWaalsContact OG-CG 3.3Å; S1201-E1204 WeakPolarHBondContact OG-CG 3.42Å; S1201-E1204 PolarHBondContact OG-N 2.82Å; S1201-E1204 PolarHBondContact OG-OE2 3Å; E1204-S1206 VanDerWaalsContact C-N 3.29Å; E1204-S1206 PolarHBondContact O-N 2.9Å; E1204-T1207 WeakPolarHBondContact CA-OG1 3.45Å; E1204-T1207 PolarHBondContact O-N 3.47Å; E1204-T1207 PolarHBondContact O-OG1 3.12Å; E1204-M1208 WeakPolarHBondContact O-CB 3.26Å; E1204-M1208 VanDerWaalsContact O-CG 3.31Å; E1204-M1208 WeakPolarHBondContact O-CG 3.13Å; E1204-M1208 PolarHBondContact O-N 3.3Å
1205	I	37.9	Very low	34.6	Very low	77 Å²	77	108.3 Å²	108.3	40%	0.395	62%	0.624	S	S	.	*	H	α-helix	trans	-64.3	-38.7	174.3	-63	174.7	0	0	0	110.2	A1200 S1201 T1207 M1208 T1209	A1200-I1205 HydrophobicContact CB-CD1 4.15Å; A1200-I1205 HydrophobicContact CB-CG1 3.44Å; A1200-I1205 VanDerWaalsContact CB-CG1 3.44Å; A1200-I1205 WeakPolarHBondContact O-CD1 3.47Å; S1201-I1205 WeakPolarHBondContact O-CG1 3.4Å; S1201-I1205 PolarHBondContact O-N 3.38Å; I1205-T1207 VanDerWaalsContact C-N 3.31Å; I1205-T1207 PolarHBondContact O-N 2.73Å; I1205-M1208 PolarHBondContact O-N 2.59Å; I1205-T1209 HydrophobicContact CG2-CG2 4.05Å; I1205-T1209 WeakPolarHBondContact O-CB 3.39Å; I1205-T1209 WeakPolarHBondContact O-CG2 3.49Å; I1205-T1209 PolarHBondContact O-N 3.3Å; I1205-T1209 PolarHBondContact O-OG1 3.34Å
1206	S	32.5	Very low	36	Very low	84 Å²	84	106 Å²	106	59%	0.587	62%	0.618	S	S	*	*	H	α-helix	trans	-70.4	-25.8	-179.9	-59.5	0	0	0	0	113.3	E1202 E1203 E1204	E1202-S1206 WeakPolarHBondContact O-CB 3.22Å; E1202-S1206 PolarHBondContact O-N 3.2Å; E1202-S1206 VanDerWaalsContact O-N 3.1Å; E1202-S1206 PolarHBondContact O-OG 3.42Å; E1203-S1206 PolarHBondContact O-N 3.23Å; E1204-S1206 VanDerWaalsContact C-N 3.29Å; E1204-S1206 PolarHBondContact O-N 2.9Å
1207	T	38.4	Very low	38.4	Very low	102 Å²	102	103 Å²	103	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-87.9	-34.1	174.7	34.4	0	0	0	0	112.8	E1203 E1204 I1205	E1203-T1207 PolarHBondContact O-N 3.24Å; E1203-T1207 PolarHBondContact O-OG1 3.37Å; E1204-T1207 WeakPolarHBondContact CA-OG1 3.45Å; E1204-T1207 PolarHBondContact O-N 3.47Å; E1204-T1207 PolarHBondContact O-OG1 3.12Å; I1205-T1207 VanDerWaalsContact C-N 3.31Å; I1205-T1207 PolarHBondContact O-N 2.73Å
1208	M	37.2	Very low	40.9	Very low	104 Å²	104	101.3 Å²	101.3	51%	0.512	58%	0.578	S	S	.	*	H	α-helix	trans	-77.3	-25.1	177.5	-68.5	-175	80.5	0	0	114	E1204 I1205 A1210 T1211	E1204-M1208 WeakPolarHBondContact O-CB 3.26Å; E1204-M1208 VanDerWaalsContact O-CG 3.31Å; E1204-M1208 WeakPolarHBondContact O-CG 3.13Å; E1204-M1208 PolarHBondContact O-N 3.3Å; I1205-M1208 PolarHBondContact O-N 2.59Å; M1208-A1210 VanDerWaalsContact C-N 3.26Å; M1208-A1210 PolarHBondContact O-N 3.14Å; M1208-T1211 PolarHBondContact O-N 3.44Å; M1208-T1211 PolarHBondContact O-OG1 3.19Å
1209	T	37.1	Very low	43.7	Very low	90 Å²	90	102.1 Å²	102.1	55%	0.552	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-11.1	-179.9	44.8	0	0	0	0	114.2	I1205 T1211	I1205-T1209 HydrophobicContact CG2-CG2 4.05Å; I1205-T1209 WeakPolarHBondContact O-CB 3.39Å; I1205-T1209 WeakPolarHBondContact O-CG2 3.49Å; I1205-T1209 PolarHBondContact O-N 3.3Å; I1205-T1209 PolarHBondContact O-OG1 3.34Å; T1209-T1211 VanDerWaalsContact C-N 3.35Å
1210	A	35.2	Very low	45.9	Very low	88 Å²	88	100.7 Å²	100.7	73%	0.727	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-10.5	175.7	0	0	0	0	0	114.2	M1208	M1208-A1210 VanDerWaalsContact C-N 3.26Å; M1208-A1210 PolarHBondContact O-N 3.14Å
1211	T	32	Very low	48.4	Very low	101 Å²	101	103.5 Å²	103.5	62%	0.62	57%	0.57	S	S	*	*			trans	-121.1	66.6	179.3	46.9	0	0	0	0	110.8	M1208 T1209 T1213	M1208-T1211 PolarHBondContact O-N 3.44Å; M1208-T1211 PolarHBondContact O-OG1 3.19Å; T1209-T1211 VanDerWaalsContact C-N 3.35Å; T1211-T1213 PolarHBondContact O-N 3.25Å
1212	T	28.7	Very low	51	Low	133 Å²	133	101.3 Å²	101.3	82%	0.816	55%	0.554	S	S	*	*			trans	-76.1	73.3	168.8	-35.5	0	0	0	0	110
1213	T	32.5	Very low	53.5	Low	112 Å²	112	96.1 Å²	96.1	69%	0.687	53%	0.531	S	S	*	.			trans	-132	101.6	166.7	32.1	0	0	0	0	109.2	T1211	T1211-T1213 PolarHBondContact O-N 3.25Å
1214	T	36.6	Very low	55.8	Low	116 Å²	116	91.1 Å²	91.1	71%	0.712	51%	0.508	S	S	*	.			trans	60.8	99	155.9	54.3	0	0	0	0	118.3	N1216	T1214-N1216 PolarHBondContact O-N 2.89Å
1215	I	43.6	Very low	58.1	Low	149 Å²	149	86.3 Å²	86.3	76%	0.764	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	18.6	172.5	-67.5	157.8	0	0	0	114.3
1216	N	57	Low	60.7	Low	143 Å²	143	87 Å²	87	77%	0.765	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	17.4	177.8	-73.9	-13.5	0	0	0	112.8	T1214 P1218	T1214-N1216 PolarHBondContact O-N 2.89Å; N1216-P1218 VanDerWaalsContact O-CD 3.28Å; N1216-P1218 WeakPolarHBondContact O-CD 3.47Å
1217	D	77.5	Confident	63.6	Low	69 Å²	69	83 Å²	83	37%	0.369	46%	0.458	S	S	.	.			trans	-72.5	116.9	-179.9	-178.8	21.2	0	0	0	111.8	E1219 Q1220 R1221	D1217-E1219 PolarHBondContact O-N 2.87Å; D1217-E1219 PolarHBondContact OD1-N 3.09Å; D1217-Q1220 HydrophobicContact CB-CB 4.37Å; D1217-Q1220 HydrophobicContact CB-CG 4.25Å; D1217-Q1220 PolarHBondContact O-N 3.15Å; D1217-Q1220 WeakPolarHBondContact OD2-CG 3.26Å; D1217-R1221 PolarHBondContact O-N 3.1Å
1218	P	83.6	Confident	66.3	Low	15 Å²	15	79.5 Å²	79.5	10%	0.097	43%	0.433	C	S	.	.	H	α-helix	trans	-53.3	-37.1	177.4	-30.6	39.4	0	0	0	114.2	N1216 R1221 L1222 L1246	N1216-P1218 VanDerWaalsContact O-CD 3.28Å; N1216-P1218 WeakPolarHBondContact O-CD 3.47Å; P1218-R1221 PolarHBondContact O-N 3.32Å; P1218-L1222 PolarHBondContact O-N 3.12Å; P1218-L1246 HydrophobicContact CB-CD2 4.15Å
1219	E	87.3	Confident	69.2	Low	106 Å²	106	75 Å²	75	50%	0.495	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-49	-176.7	-172.2	174	174.2	0	0	111.3	D1217 R1221 L1222 I1223 L1246	D1217-E1219 PolarHBondContact O-N 2.87Å; D1217-E1219 PolarHBondContact OD1-N 3.09Å; E1219-R1221 VanDerWaalsContact C-N 3.29Å; E1219-R1221 PolarHBondContact O-N 3.36Å; E1219-L1222 PolarHBondContact O-N 3.35Å; E1219-L1222 VanDerWaalsContact O-N 3.16Å; E1219-I1223 HydrophobicContact CG-CD1 4.12Å; E1219-I1223 WeakPolarHBondContact O-CG1 3.35Å; E1219-I1223 PolarHBondContact O-N 3.4Å; E1219-L1246 HydrophobicContact CB-CD1 3.9Å; E1219-L1246 HydrophobicContact CG-CD1 4.15Å
1220	Q	85.3	Confident	72.1	Confident	95 Å²	95	70.7 Å²	70.7	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-39.3	175.1	-68.4	-66.9	-25	0	0	112.2	D1217 I1223 Q1224	D1217-Q1220 HydrophobicContact CB-CB 4.37Å; D1217-Q1220 HydrophobicContact CB-CG 4.25Å; D1217-Q1220 PolarHBondContact O-N 3.15Å; D1217-Q1220 WeakPolarHBondContact OD2-CG 3.26Å; Q1220-I1223 PolarHBondContact O-N 2.95Å; Q1220-Q1224 WeakPolarHBondContact O-CB 3.21Å; Q1220-Q1224 PolarHBondContact O-N 3.33Å
1221	R	86.3	Confident	75.1	Confident	90 Å²	90	71.2 Å²	71.2	34%	0.34	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-41.5	175.8	-68.9	-169.3	72.6	-163.3	-0.4	112	I729 D1217 P1218 E1219 Q1224 L1225	I729-R1221 HydrophobicContact CD1-CB 3.8Å; I729-R1221 HydrophobicContact CG1-CB 4.17Å; D1217-R1221 PolarHBondContact O-N 3.1Å; P1218-R1221 PolarHBondContact O-N 3.32Å; E1219-R1221 VanDerWaalsContact C-N 3.29Å; E1219-R1221 PolarHBondContact O-N 3.36Å; R1221-Q1224 PolarHBondContact O-N 3.11Å; R1221-L1225 WeakPolarHBondContact O-CG 3.35Å; R1221-L1225 PolarHBondContact O-N 2.9Å
1222	L	89	Confident	78.2	Confident	13 Å²	13	66.8 Å²	66.8	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-45.6	177.1	-174.5	62.5	0	0	0	111.6	I729 T730 P1218 E1219 Q1224 L1225 K1226 P1244 L1246	I729-L1222 HydrophobicContact CG2-CB 3.79Å; I729-L1222 HydrophobicContact CG2-CD1 4.11Å; I729-L1222 HydrophobicContact CG2-CG 4.44Å; T730-L1222 HydrophobicContact CG2-CD1 4.1Å; P1218-L1222 PolarHBondContact O-N 3.12Å; E1219-L1222 PolarHBondContact O-N 3.35Å; E1219-L1222 VanDerWaalsContact O-N 3.16Å; L1222-Q1224 PolarHBondContact O-N 3.25Å; L1222-L1225 PolarHBondContact O-N 2.92Å; L1222-L1225 VanDerWaalsContact O-N 3.16Å; L1222-K1226 PolarHBondContact O-N 3.13Å; L1222-K1226 VanDerWaalsContact O-N 3.13Å; L1222-P1244 HydrophobicContact CD1-CB 4.26Å; L1222-P1244 HydrophobicContact CD1-CG 4.09Å; L1222-P1244 VanDerWaalsContact CD2-O 3.26Å; L1222-P1244 WeakPolarHBondContact CD2-O 3.23Å; L1222-L1246 HydrophobicContact CB-CD2 4.3Å; L1222-L1246 HydrophobicContact CD2-CD2 3.84Å
1223	I	87.3	Confident	81.5	Confident	63 Å²	63	61.3 Å²	61.3	32%	0.323	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-38	176.5	-69	168.6	0	0	0	110.9	E1219 Q1220 K1226	E1219-I1223 HydrophobicContact CG-CD1 4.12Å; E1219-I1223 WeakPolarHBondContact O-CG1 3.35Å; E1219-I1223 PolarHBondContact O-N 3.4Å; Q1220-I1223 PolarHBondContact O-N 2.95Å; I1223-K1226 WeakPolarHBondContact O-CD 3.36Å; I1223-K1226 WeakPolarHBondContact O-CE 3.37Å; I1223-K1226 PolarHBondContact O-NZ 3.35Å
1224	Q	85.4	Confident	84.6	Confident	59 Å²	59	56.4 Å²	56.4	28%	0.276	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-42.3	176.9	179.5	174.2	36.1	0	0	112.7	Y1189 Q1220 R1221 L1222 K1226	Y1189-Q1224 VanDerWaalsContact CD2-NE2 3.28Å; Y1189-Q1224 VanDerWaalsContact CE2-NE2 3.26Å; Q1220-Q1224 WeakPolarHBondContact O-CB 3.21Å; Q1220-Q1224 PolarHBondContact O-N 3.33Å; R1221-Q1224 PolarHBondContact O-N 3.11Å; L1222-Q1224 PolarHBondContact O-N 3.25Å; Q1224-K1226 PolarHBondContact O-N 3.29Å
1225	L	89.6	Confident	87.5	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-25.9	-180	-71.4	172	0	0	0	112.3	L726 I729 N1185 N1186 R1221 L1222 S1227	L726-L1225 HydrophobicContact CD1-CD1 3.45Å; L726-L1225 VanDerWaalsContact CD1-CD1 3.45Å; I729-L1225 HydrophobicContact CD1-CD1 3.82Å; N1185-L1225 HydrophobicContact CB-CD2 4.13Å; N1185-L1225 PolarHBondContact ND2-O 2.81Å; N1185-L1225 VanDerWaalsContact ND2-O 3.1Å; N1186-L1225 HydrophobicContact CB-CD2 3.76Å; R1221-L1225 WeakPolarHBondContact O-CG 3.35Å; R1221-L1225 PolarHBondContact O-N 2.9Å; L1222-L1225 PolarHBondContact O-N 2.92Å; L1222-L1225 VanDerWaalsContact O-N 3.16Å; L1225-S1227 PolarHBondContact O-N 3.09Å
1226	K	92.6	Very high	90	Very high	92 Å²	92	46.1 Å²	46.1	40%	0.4	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.7	-176.7	-58.9	-67.8	178	-154.7	0	112.7	K1181 L1222 I1223 Q1224	K1181-K1226 WeakPolarHBondContact CD-O 3.38Å; K1181-K1226 PolarHBondContact NZ-O 3.31Å; K1181-K1226 VanDerWaalsContact NZ-O 3.17Å; L1222-K1226 PolarHBondContact O-N 3.13Å; L1222-K1226 VanDerWaalsContact O-N 3.13Å; I1223-K1226 WeakPolarHBondContact O-CD 3.36Å; I1223-K1226 WeakPolarHBondContact O-CE 3.37Å; I1223-K1226 PolarHBondContact O-NZ 3.35Å; Q1224-K1226 PolarHBondContact O-N 3.29Å
1227	S	93.8	Very high	91.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	20%	0.199	C	C	.	.			trans	-65.2	146	179.7	-64.6	0	0	0	0	111.2	E1178 L1225 P1244	E1178-S1227 WeakPolarHBondContact OE2-CA 3.46Å; L1225-S1227 PolarHBondContact O-N 3.09Å; S1227-P1244 WeakPolarHBondContact O-CD 3.38Å
1228	R	95.9	Very high	92.7	Very high	28 Å²	28	41.4 Å²	41.4	11%	0.106	20%	0.197	C	C	.	.			trans	-136.8	129	178	-66.7	-66.3	-175	-109.4	20.4	110.2	D299 E1178 F1241 S1242 E1243	D299-R1228 IonicContact OD2-NE 2.94Å; D299-R1228 IonicContact OD2-NH2 2.62Å; E1178-R1228 VanDerWaalsContact CD-O 3.26Å; E1178-R1228 PolarHBondContact OE2-N 3.45Å; R1228-F1241 HydrophobicContact CB-CB 4.26Å; R1228-F1241 HydrophobicContact CB-CD1 4.43Å; R1228-F1241 HydrophobicContact CG-CB 4.28Å; R1228-S1242 CarbonylContact C-O 3.56Å; R1228-S1242 WeakPolarHBondContact CA-O 3.36Å; R1228-E1243 IonicContact CZ-OE1 2.55Å; R1228-E1243 IonicContact NH1-OE1 3.2Å; R1228-E1243 PolarHBondContact NH1-OE1 3.08Å; R1228-E1243 IonicContact NH2-OE1 3.4Å; R1228-E1243 PolarHBondContact NH2-OE1 2.89Å
1229	N	97.1	Very high	93.3	Very high	8 Å²	8	41 Å²	41	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.7	157.5	-68.7	-14.8	0	0	0	108.4	V722 Q723 V724 F1231 F1241 S1242	V722-N1229 CarbonylContact O-C 3.6Å; V722-N1229 VanDerWaalsContact O-CA 3.26Å; V722-N1229 WeakPolarHBondContact O-CA 3.36Å; Q723-N1229 WeakPolarHBondContact CA-OD1 3.47Å; V724-N1229 PolarHBondContact N-OD1 3.08Å; N1229-F1231 HydrophobicContact CB-CE2 4.21Å; N1229-F1231 HydrophobicContact CB-CZ 4.48Å; N1229-F1241 CarbonylContact O-C 3.54Å; N1229-F1241 WeakPolarHBondContact O-CA 3.21Å; N1229-S1242 PolarHBondContact N-O 2.89Å; N1229-S1242 PolarHBondContact O-N 3.44Å
1230	S	98	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.9	-179.5	-52.4	0	0	0	0	110.4	H721 V722 L1240 F1241	H721-S1230 CarbonylContact C-O 3.6Å; H721-S1230 WeakPolarHBondContact CA-O 3.34Å; V722-S1230 PolarHBondContact N-O 3.18Å; V722-S1230 PolarHBondContact O-N 2.9Å; S1230-L1240 CarbonylContact C-O 3.57Å; S1230-L1240 WeakPolarHBondContact CA-O 3.39Å; S1230-F1241 WeakPolarHBondContact OG-CD1 3.41Å; S1230-F1241 VanDerWaalsContact OG-CE1 3.32Å; S1230-F1241 WeakPolarHBondContact OG-CE1 3.29Å
1231	F	97.9	Very high	94.3	Very high	99 Å²	99	35.9 Å²	35.9	43%	0.434	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.5	173.2	-56.3	-83.2	0	0	0	108.9	H721 N1229 L1239 L1240 S1242	H721-F1231 HydrophobicContact CB-CD1 3.87Å; H721-F1231 HydrophobicContact CB-CE1 4.18Å; N1229-F1231 HydrophobicContact CB-CE2 4.21Å; N1229-F1231 HydrophobicContact CB-CZ 4.48Å; F1231-L1239 CarbonylContact O-C 3.5Å; F1231-L1239 WeakPolarHBondContact O-CA 3.26Å; F1231-L1240 PolarHBondContact N-O 3.18Å; F1231-L1240 PolarHBondContact O-N 3.04Å; F1231-S1242 WeakPolarHBondContact CE2-OG 3.42Å
1232	L	97.8	Very high	94.8	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.4	-179.5	66.2	105.6	0	0	0	111.7	K719 G720 T1167 T1170 V1171 L1174 L1234 I1238 L1239	K719-L1232 CarbonylContact C-O 3.48Å; K719-L1232 VanDerWaalsContact CA-O 3.23Å; K719-L1232 WeakPolarHBondContact CA-O 3.47Å; G720-L1232 PolarHBondContact N-O 3.45Å; G720-L1232 PolarHBondContact O-N 2.88Å; T1167-L1232 HydrophobicContact CG2-CD1 4.07Å; T1170-L1232 HydrophobicContact CG2-CD2 4.06Å; V1171-L1232 HydrophobicContact CG2-CD2 3.9Å; L1174-L1232 HydrophobicContact CD1-CD2 3.6Å; L1232-L1234 HydrophobicContact CD1-CD1 4.34Å; L1232-L1234 HydrophobicContact CD1-CD2 3.72Å; L1232-L1234 HydrophobicContact CD1-CG 3.6Å; L1232-I1238 VanDerWaalsContact CA-O 3.29Å; L1232-I1238 WeakPolarHBondContact CA-O 3.26Å; L1232-I1238 WeakPolarHBondContact CB-O 3.28Å; L1232-L1239 HydrophobicContact CB-CB 4.4Å; L1232-L1239 HydrophobicContact CB-CD1 3.82Å; L1232-L1239 HydrophobicContact CD2-CD1 4.2Å
1233	N	97.8	Very high	95	Very high	18 Å²	18	38 Å²	38	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	103.3	167.3	177.1	-10.9	0	0	0	106.6	T718 K719 A1235 L1236 I1238	T718-N1233 PolarHBondContact OG1-OD1 3.02Å; K719-N1233 HydrophobicContact CG-CB 4.12Å; N1233-A1235 VanDerWaalsContact C-N 3.27Å; N1233-A1235 PolarHBondContact O-N 3.17Å; N1233-A1235 WeakPolarHBondContact OD1-CB 3.46Å; N1233-A1235 PolarHBondContact OD1-N 3.35Å; N1233-L1236 CarbonylContact O-C 3.57Å; N1233-L1236 VanDerWaalsContact O-C 3.31Å; N1233-L1236 PolarHBondContact O-N 2.89Å; N1233-L1236 VanDerWaalsContact O-N 3.11Å; N1233-I1238 HydrophobicContact CB-CB 4.41Å; N1233-I1238 PolarHBondContact N-O 2.84Å
1234	L	97.8	Very high	95.3	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.3	-177.8	-53.2	-176.1	0	0	0	113.8	I382 Q385 K389 T718 L1232 L1236	I382-L1234 HydrophobicContact CG1-CD2 4.09Å; Q385-L1234 HydrophobicContact CB-CD1 4.25Å; Q385-L1234 HydrophobicContact CG-CB 3.87Å; Q385-L1234 HydrophobicContact CG-CD1 4.37Å; K389-L1234 WeakPolarHBondContact CE-O 3.5Å; K389-L1234 PolarHBondContact NZ-O 3.4Å; T718-L1234 PolarHBondContact O-N 3.21Å; L1232-L1234 HydrophobicContact CD1-CD1 4.34Å; L1232-L1234 HydrophobicContact CD1-CD2 3.72Å; L1232-L1234 HydrophobicContact CD1-CG 3.6Å; L1234-L1236 CarbonylContact C-O 3.55Å
1235	A	97	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.2	166	0	0	0	0	0	111.4	Q188 D190 F395 T396 T718 N1233	Q188-A1235 VanDerWaalsContact O-O 3.08Å; D190-A1235 HydrophobicContact CB-CB 4.14Å; F395-A1235 HydrophobicContact CB-CB 4.06Å; F395-A1235 VanDerWaalsContact CB-O 3.29Å; F395-A1235 WeakPolarHBondContact CB-O 3.4Å; F395-A1235 HydrophobicContact CD1-CB 3.56Å; F395-A1235 HydrophobicContact CD2-CB 3.85Å; F395-A1235 HydrophobicContact CE1-CB 3.9Å; F395-A1235 HydrophobicContact CE2-CB 4.13Å; F395-A1235 HydrophobicContact CG-CB 3.55Å; F395-A1235 HydrophobicContact CZ-CB 4.16Å; T396-A1235 PolarHBondContact N-O 3.45Å; T718-A1235 VanDerWaalsContact CB-N 3.29Å; T718-A1235 HydrophobicContact CG2-CB 3.9Å; T718-A1235 WeakPolarHBondContact OG1-CB 3.35Å; T718-A1235 PolarHBondContact OG1-N 2.93Å; T718-A1235 VanDerWaalsContact OG1-N 3.16Å; N1233-A1235 VanDerWaalsContact C-N 3.27Å; N1233-A1235 PolarHBondContact O-N 3.17Å; N1233-A1235 WeakPolarHBondContact OD1-CB 3.46Å; N1233-A1235 PolarHBondContact OD1-N 3.35Å
1236	L	96.9	Very high	95.8	Very high	48 Å²	48	36.9 Å²	36.9	25%	0.251	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	167.5	171.2	-64.8	174.2	0	0	0	108.8	D189 N1233 L1234 I1238	D189-L1236 HydrophobicContact CB-CD2 4.02Å; D189-L1236 HydrophobicContact CB-CG 4.27Å; N1233-L1236 CarbonylContact O-C 3.57Å; N1233-L1236 VanDerWaalsContact O-C 3.31Å; N1233-L1236 PolarHBondContact O-N 2.89Å; N1233-L1236 VanDerWaalsContact O-N 3.11Å; L1234-L1236 CarbonylContact C-O 3.55Å; L1236-I1238 HydrophobicContact CB-CB 4.46Å; L1236-I1238 HydrophobicContact CB-CD1 3.86Å; L1236-I1238 HydrophobicContact CB-CG1 3.85Å; L1236-I1238 HydrophobicContact CD1-CD1 3.77Å; L1236-I1238 HydrophobicContact CG-CD1 4.48Å; L1236-I1238 PolarHBondContact O-N 3.41Å
1237	P	92.8	Very high	95.7	Very high	49 Å²	49	33 Å²	33	32%	0.318	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	63.3	168.6	32.8	-34.1	0	0	0	109.4	M296 T396 I398	M296-P1237 WeakPolarHBondContact CE-O 3.41Å; M296-P1237 HydrophobicContact SD-CB 4.13Å; T396-P1237 HydrophobicContact CG2-CG 4.34Å; I398-P1237 HydrophobicContact CG1-CB 4.17Å
1238	I	96.6	Very high	95.4	Very high	65 Å²	65	42.6 Å²	42.6	33%	0.333	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.9	-177.9	-60.4	176.7	0	0	0	111	L1232 N1233 L1236 L1240	L1232-I1238 VanDerWaalsContact CA-O 3.29Å; L1232-I1238 WeakPolarHBondContact CA-O 3.26Å; L1232-I1238 WeakPolarHBondContact CB-O 3.28Å; N1233-I1238 HydrophobicContact CB-CB 4.41Å; N1233-I1238 PolarHBondContact N-O 2.84Å; L1236-I1238 HydrophobicContact CB-CB 4.46Å; L1236-I1238 HydrophobicContact CB-CD1 3.86Å; L1236-I1238 HydrophobicContact CB-CG1 3.85Å; L1236-I1238 HydrophobicContact CD1-CD1 3.77Å; L1236-I1238 HydrophobicContact CG-CD1 4.48Å; L1236-I1238 PolarHBondContact O-N 3.41Å; I1238-L1240 HydrophobicContact CG2-CD1 4.08Å; I1238-L1240 HydrophobicContact CG2-CG 3.98Å
1239	L	97.4	Very high	95	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	119.9	165.5	169.3	65.2	0	0	0	106.1	M296 V298 I404 L1174 F1231 L1232 F1241	M296-L1239 HydrophobicContact CE-CB 3.76Å; V298-L1239 VanDerWaalsContact CA-O 3.3Å; V298-L1239 WeakPolarHBondContact CA-O 3.36Å; V298-L1239 HydrophobicContact CG1-CB 4.36Å; V298-L1239 HydrophobicContact CG1-CD2 4.15Å; V298-L1239 HydrophobicContact CG1-CG 4.3Å; I404-L1239 HydrophobicContact CD1-CD2 3.35Å; I404-L1239 HydrophobicContact CG1-CD2 4.05Å; L1174-L1239 HydrophobicContact CD1-CD1 4.02Å; F1231-L1239 CarbonylContact O-C 3.5Å; F1231-L1239 WeakPolarHBondContact O-CA 3.26Å; L1232-L1239 HydrophobicContact CB-CB 4.4Å; L1232-L1239 HydrophobicContact CB-CD1 3.82Å; L1232-L1239 HydrophobicContact CD2-CD1 4.2Å; L1239-F1241 HydrophobicContact CD1-CE1 4.18Å; L1239-F1241 HydrophobicContact CD1-CZ 4.4Å; L1239-F1241 HydrophobicContact CD2-CZ 4.13Å; L1239-F1241 HydrophobicContact CG-CE1 4.49Å; L1239-F1241 HydrophobicContact CG-CZ 4.3Å
1240	L	97.3	Very high	94.5	Very high	59 Å²	59	48.8 Å²	48.8	31%	0.309	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.4	-172.9	-61	177.6	0	0	0	110.4	V298 F300 S1230 F1231 I1238	V298-L1240 CarbonylContact O-C 3.49Å; V298-L1240 WeakPolarHBondContact O-CA 3.47Å; F300-L1240 HydrophobicContact CD2-CD2 3.77Å; F300-L1240 HydrophobicContact CE2-CD2 3.35Å; F300-L1240 HydrophobicContact CZ-CD2 4.39Å; S1230-L1240 CarbonylContact C-O 3.57Å; S1230-L1240 WeakPolarHBondContact CA-O 3.39Å; F1231-L1240 PolarHBondContact N-O 3.18Å; F1231-L1240 PolarHBondContact O-N 3.04Å; I1238-L1240 HydrophobicContact CG2-CD1 4.08Å; I1238-L1240 HydrophobicContact CG2-CG 3.98Å
1241	F	97	Very high	94	Very high	35 Å²	35	56.2 Å²	56.2	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.7	169.6	-59	-49.3	0	0	0	110.7	V298 D299 I404 L1174 R1228 N1229 S1230 L1239	V298-F1241 HydrophobicContact CB-CD2 4.13Å; V298-F1241 HydrophobicContact CB-CE2 4.03Å; V298-F1241 HydrophobicContact CG2-CD2 4.03Å; V298-F1241 HydrophobicContact CG2-CE2 3.86Å; V298-F1241 PolarHBondContact O-N 2.88Å; D299-F1241 HydrophobicContact CB-CB 4.45Å; I404-F1241 HydrophobicContact CG2-CE2 4.37Å; I404-F1241 HydrophobicContact CG2-CZ 4.19Å; L1174-F1241 HydrophobicContact CD2-CE1 3.76Å; L1174-F1241 HydrophobicContact CD2-CZ 4.04Å; R1228-F1241 HydrophobicContact CB-CB 4.26Å; R1228-F1241 HydrophobicContact CB-CD1 4.43Å; R1228-F1241 HydrophobicContact CG-CB 4.28Å; N1229-F1241 CarbonylContact O-C 3.54Å; N1229-F1241 WeakPolarHBondContact O-CA 3.21Å; S1230-F1241 WeakPolarHBondContact OG-CD1 3.41Å; S1230-F1241 VanDerWaalsContact OG-CE1 3.32Å; S1230-F1241 WeakPolarHBondContact OG-CE1 3.29Å; L1239-F1241 HydrophobicContact CD1-CE1 4.18Å; L1239-F1241 HydrophobicContact CD1-CZ 4.4Å; L1239-F1241 HydrophobicContact CD2-CZ 4.13Å; L1239-F1241 HydrophobicContact CG-CE1 4.49Å; L1239-F1241 HydrophobicContact CG-CZ 4.3Å
1242	S	95	Very high	93.4	Very high	44 Å²	44	51.7 Å²	51.7	31%	0.308	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154	173.8	58.5	0	0	0	0	110.1	R1228 N1229 F1231	R1228-S1242 CarbonylContact C-O 3.56Å; R1228-S1242 WeakPolarHBondContact CA-O 3.36Å; N1229-S1242 PolarHBondContact N-O 2.89Å; N1229-S1242 PolarHBondContact O-N 3.44Å; F1231-S1242 WeakPolarHBondContact CE2-OG 3.42Å
1243	E	93.5	Very high	92.8	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-75	138.7	175.2	-52	-157.5	132.6	0	0	110	R1228	R1228-E1243 IonicContact CZ-OE1 2.55Å; R1228-E1243 IonicContact NH1-OE1 3.2Å; R1228-E1243 PolarHBondContact NH1-OE1 3.08Å; R1228-E1243 IonicContact NH2-OE1 3.4Å; R1228-E1243 PolarHBondContact NH2-OE1 2.89Å
1244	P	94.7	Very high	92.2	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-56.9	139.8	173.2	-25.3	34.1	0	0	0	112.2	V724 T730 L1222 S1227	V724-P1244 HydrophobicContact CB-CG 4.21Å; T730-P1244 HydrophobicContact CG2-CB 3.61Å; T730-P1244 HydrophobicContact CG2-CG 4.45Å; L1222-P1244 HydrophobicContact CD1-CB 4.26Å; L1222-P1244 HydrophobicContact CD1-CG 4.09Å; L1222-P1244 VanDerWaalsContact CD2-O 3.26Å; L1222-P1244 WeakPolarHBondContact CD2-O 3.23Å; S1227-P1244 WeakPolarHBondContact O-CD 3.38Å
1245	G	92.4	Very high	91.5	Very high	25 Å²	25	54.7 Å²	54.7	26%	0.258	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-64.1	138.1	174.7	0	0	0	0	0	111.3	T730 E731	T730-G1245 CarbonylContact C-O 3.56Å; T730-G1245 WeakPolarHBondContact CA-O 3.39Å; T730-G1245 WeakPolarHBondContact CB-O 3.46Å; E731-G1245 PolarHBondContact N-O 3.18Å
1246	L	93	Very high	90.9	Very high	70 Å²	70	60.1 Å²	60.1	37%	0.366	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-70.8	149	175	-66.9	173.8	0	0	0	111.2	I729 P1218 E1219 L1222 R1248	I729-L1246 HydrophobicContact CG2-CD2 4.45Å; I729-L1246 WeakPolarHBondContact O-CA 3.43Å; P1218-L1246 HydrophobicContact CB-CD2 4.15Å; E1219-L1246 HydrophobicContact CB-CD1 3.9Å; E1219-L1246 HydrophobicContact CG-CD1 4.15Å; L1222-L1246 HydrophobicContact CB-CD2 4.3Å; L1222-L1246 HydrophobicContact CD2-CD2 3.84Å; L1246-R1248 PolarHBondContact O-N 2.93Å
1247	C	90.5	Very high	90.3	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.074	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-64.2	136.6	173.4	65	0	0	0	0	111.2	I729 T730 Q1249 L1260	I729-C1247 PolarHBondContact O-N 2.91Å; T730-C1247 WeakPolarHBondContact O-CB 3.35Å; C1247-Q1249 PolarHBondContact O-N 3.41Å; C1247-L1260 HydrophobicContact CB-CD2 4.2Å
1248	R	88	Confident	90	Very high	203 Å²	203	61.9 Å²	61.9	77%	0.766	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-68	127.3	176.4	-175.9	179.1	179.7	-178.3	0.8	110.4	L1246 S1259	L1246-R1248 PolarHBondContact O-N 2.93Å; R1248-S1259 WeakPolarHBondContact O-CA 3.24Å
1249	Q	86.6	Confident	89.5	Confident	102 Å²	102	59.2 Å²	59.2	48%	0.477	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-98	135.9	171.2	-63.2	-172.4	-6.4	0	0	111.2	C1247 Y1257 F1258	C1247-Q1249 PolarHBondContact O-N 3.41Å; Q1249-Y1257 HydrophobicContact CB-CD1 4.11Å; Q1249-F1258 CarbonylContact C-O 3.54Å; Q1249-F1258 WeakPolarHBondContact CA-O 3.35Å
1250	I	86	Confident	89	Confident	63 Å²	63	62 Å²	62	32%	0.323	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	177.3	-60.4	171.7	0	0	0	108.4	Y1257 F1258 I1360	I1250-Y1257 WeakPolarHBondContact O-CA 3.29Å; I1250-F1258 HydrophobicContact CB-CD1 4.02Å; I1250-F1258 HydrophobicContact CB-CE1 3.48Å; I1250-F1258 VanDerWaalsContact CB-CE1 3.48Å; I1250-F1258 HydrophobicContact CB-CZ 3.87Å; I1250-F1258 HydrophobicContact CD1-CE1 4.29Å; I1250-F1258 HydrophobicContact CD1-CE2 4.4Å; I1250-F1258 HydrophobicContact CD1-CZ 3.76Å; I1250-F1258 HydrophobicContact CG1-CE1 4.44Å; I1250-F1258 HydrophobicContact CG1-CZ 4.35Å; I1250-F1258 HydrophobicContact CG2-CD1 4.4Å; I1250-F1258 HydrophobicContact CG2-CE1 3.57Å; I1250-F1258 HydrophobicContact CG2-CZ 4.11Å; I1250-F1258 PolarHBondContact N-O 3.2Å; I1250-F1258 WeakPolarHBondContact O-CD1 3.46Å; I1250-F1258 PolarHBondContact O-N 3.06Å; I1250-I1360 HydrophobicContact CG2-CG2 4.07Å
1251	R	87.3	Confident	88.5	Confident	156 Å²	156	59.2 Å²	59.2	59%	0.589	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.5	177.5	-170.2	179.9	174	172.1	-3.2	110.7	Y1257	R1251-Y1257 HydrophobicContact CB-CD1 3.95Å; R1251-Y1257 HydrophobicContact CB-CE1 3.6Å; R1251-Y1257 HydrophobicContact CG-CD1 4.5Å; R1251-Y1257 HydrophobicContact CG-CE1 4.05Å; R1251-Y1257 HydrophobicContact CG-CE2 4.07Å
1252	L	86.7	Confident	87.9	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	29%	0.294	C	S	.	.			trans	-87.1	158.9	173.2	-64.1	173.6	0	0	0	111.2	N1254 G1255 K1256 F1258 W1264 L1290 Y1337 I1360	L1252-N1254 WeakPolarHBondContact CB-OD1 3.44Å; L1252-N1254 PolarHBondContact O-N 3Å; L1252-N1254 VanDerWaalsContact O-N 3.14Å; L1252-G1255 WeakPolarHBondContact O-CA 3.49Å; L1252-G1255 PolarHBondContact O-N 2.94Å; L1252-K1256 WeakPolarHBondContact CB-O 3.28Å; L1252-K1256 PolarHBondContact N-O 3.29Å; L1252-F1258 HydrophobicContact CD1-CD1 3.94Å; L1252-F1258 HydrophobicContact CD2-CD1 3.71Å; L1252-F1258 HydrophobicContact CD2-CE1 3.61Å; L1252-F1258 HydrophobicContact CG-CD1 3.69Å; L1252-F1258 HydrophobicContact CG-CE1 4.11Å; L1252-W1264 HydrophobicContact CD1-CH2 3.38Å; L1252-W1264 HydrophobicContact CD1-CZ2 3.72Å; L1252-W1264 HydrophobicContact CD1-CZ3 4.4Å; L1252-L1290 HydrophobicContact CB-CD2 4.32Å; L1252-L1290 HydrophobicContact CD1-CD1 4.01Å; L1252-Y1337 HydrophobicContact CD2-CD2 4.21Å; L1252-I1360 HydrophobicContact CD2-CG2 4.17Å
1253	P	84.9	Confident	87.2	Confident	26 Å²	26	60.8 Å²	60.8	17%	0.169	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.9	177.4	-25.3	30.2	0	0	0	114.7	G1255 L1290 E1338 I1360	P1253-G1255 PolarHBondContact O-N 3.3Å; P1253-G1255 VanDerWaalsContact O-N 3.14Å; P1253-L1290 HydrophobicContact CB-CD2 3.96Å; P1253-L1290 HydrophobicContact CG-CD2 4Å; P1253-E1338 WeakPolarHBondContact CG-O 3.4Å; P1253-I1360 HydrophobicContact CG-CD1 4.3Å
1254	N	85.2	Confident	87	Confident	40 Å²	40	57.4 Å²	57.4	21%	0.214	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	1.9	175.7	67.6	2.3	0	0	0	113.9	L1252 K1256 F1288 L1290	L1252-N1254 WeakPolarHBondContact CB-OD1 3.44Å; L1252-N1254 PolarHBondContact O-N 3Å; L1252-N1254 VanDerWaalsContact O-N 3.14Å; N1254-K1256 VanDerWaalsContact C-N 3.3Å; N1254-K1256 PolarHBondContact O-N 3.18Å; N1254-K1256 VanDerWaalsContact OD1-CB 3.29Å; N1254-K1256 WeakPolarHBondContact OD1-CB 3.47Å; N1254-K1256 PolarHBondContact OD1-N 3.14Å; N1254-F1288 PolarHBondContact ND2-O 3.15Å; N1254-L1290 HydrophobicContact CB-CD2 3.85Å; N1254-L1290 HydrophobicContact CB-CG 4.3Å
1255	G	83.3	Confident	86.7	Confident	34 Å²	34	60.8 Å²	60.8	35%	0.351	29%	0.288	S	S	.	.	S	Bend	trans	82.6	-5.5	-177.5	0	0	0	0	0	115.1	L1252 P1253	L1252-G1255 WeakPolarHBondContact O-CA 3.49Å; L1252-G1255 PolarHBondContact O-N 2.94Å; P1253-G1255 PolarHBondContact O-N 3.3Å; P1253-G1255 VanDerWaalsContact O-N 3.14Å
1256	K	84.4	Confident	86.5	Confident	113 Å²	113	59.6 Å²	59.6	49%	0.491	28%	0.276	S	S	.	.			trans	-77.4	153.4	174.7	-62.1	-174	178.6	178.6	0	110.5	L1252 N1254	L1252-K1256 WeakPolarHBondContact CB-O 3.28Å; L1252-K1256 PolarHBondContact N-O 3.29Å; N1254-K1256 VanDerWaalsContact C-N 3.3Å; N1254-K1256 PolarHBondContact O-N 3.18Å; N1254-K1256 VanDerWaalsContact OD1-CB 3.29Å; N1254-K1256 WeakPolarHBondContact OD1-CB 3.47Å; N1254-K1256 PolarHBondContact OD1-N 3.14Å
1257	Y	84.4	Confident	86.5	Confident	124 Å²	124	63.2 Å²	63.2	49%	0.486	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	151.3	173.2	-69.6	-102.4	0	0	0	109.7	Q1249 I1250 R1251	Q1249-Y1257 HydrophobicContact CB-CD1 4.11Å; I1250-Y1257 WeakPolarHBondContact O-CA 3.29Å; R1251-Y1257 HydrophobicContact CB-CD1 3.95Å; R1251-Y1257 HydrophobicContact CB-CE1 3.6Å; R1251-Y1257 HydrophobicContact CG-CD1 4.5Å; R1251-Y1257 HydrophobicContact CG-CE1 4.05Å; R1251-Y1257 HydrophobicContact CG-CE2 4.07Å
1258	F	86.4	Confident	86.6	Confident	11 Å²	11	64.2 Å²	64.2	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.6	168	82.9	-80.1	0	0	0	110.3	Q1249 I1250 L1252 D1262 Q1361 G1362 P1363	Q1249-F1258 CarbonylContact C-O 3.54Å; Q1249-F1258 WeakPolarHBondContact CA-O 3.35Å; I1250-F1258 HydrophobicContact CB-CD1 4.02Å; I1250-F1258 HydrophobicContact CB-CE1 3.48Å; I1250-F1258 VanDerWaalsContact CB-CE1 3.48Å; I1250-F1258 HydrophobicContact CB-CZ 3.87Å; I1250-F1258 HydrophobicContact CD1-CE1 4.29Å; I1250-F1258 HydrophobicContact CD1-CE2 4.4Å; I1250-F1258 HydrophobicContact CD1-CZ 3.76Å; I1250-F1258 HydrophobicContact CG1-CE1 4.44Å; I1250-F1258 HydrophobicContact CG1-CZ 4.35Å; I1250-F1258 HydrophobicContact CG2-CD1 4.4Å; I1250-F1258 HydrophobicContact CG2-CE1 3.57Å; I1250-F1258 HydrophobicContact CG2-CZ 4.11Å; I1250-F1258 PolarHBondContact N-O 3.2Å; I1250-F1258 WeakPolarHBondContact O-CD1 3.46Å; I1250-F1258 PolarHBondContact O-N 3.06Å; L1252-F1258 HydrophobicContact CD1-CD1 3.94Å; L1252-F1258 HydrophobicContact CD2-CD1 3.71Å; L1252-F1258 HydrophobicContact CD2-CE1 3.61Å; L1252-F1258 HydrophobicContact CG-CD1 3.69Å; L1252-F1258 HydrophobicContact CG-CE1 4.11Å; F1258-D1262 VanDerWaalsContact CA-OD2 3.23Å; F1258-D1262 WeakPolarHBondContact CA-OD2 3.32Å; F1258-D1262 HydrophobicContact CB-CB 3.91Å; F1258-Q1361 VanDerWaalsContact CE1-O 3.31Å; F1258-Q1361 WeakPolarHBondContact CE1-O 3.41Å; F1258-Q1361 WeakPolarHBondContact CZ-O 3.17Å; F1258-G1362 VanDerWaalsContact CE2-C 3.46Å; F1258-G1362 VanDerWaalsContact CZ-C 3.47Å; F1258-G1362 VanDerWaalsContact CZ-CA 3.42Å; F1258-P1363 HydrophobicContact CB-CB 4.24Å; F1258-P1363 HydrophobicContact CB-CG 4.22Å; F1258-P1363 HydrophobicContact CD2-CB 3.7Å; F1258-P1363 HydrophobicContact CD2-CG 4.24Å; F1258-P1363 HydrophobicContact CE2-CB 4.38Å; F1258-P1363 HydrophobicContact CG-CB 4.09Å; F1258-P1363 HydrophobicContact CG-CG 4.17Å
1259	S	86.3	Confident	86.6	Confident	8 Å²	8	58.6 Å²	58.6	6%	0.056	28%	0.282	C	S	.	.			trans	-123.8	-178.9	180	70.1	0	0	0	0	110.9	R1248 W1261 D1262	R1248-S1259 WeakPolarHBondContact O-CA 3.24Å; S1259-W1261 PolarHBondContact O-N 3.14Å; S1259-W1261 PolarHBondContact OG-N 3.37Å; S1259-D1262 PolarHBondContact N-OD2 3.33Å; S1259-D1262 PolarHBondContact O-N 2.85Å; S1259-D1262 PolarHBondContact OG-OD2 2.99Å
1260	L	86.5	Confident	86.7	Confident	63 Å²	63	58.4 Å²	58.4	33%	0.33	28%	0.28	S	S	.	.	S	Bend	trans	-60.3	-24	173.2	76.3	93	0	0	0	113.2	V704 C1247	V704-L1260 HydrophobicContact CB-CD1 4.43Å; V704-L1260 HydrophobicContact CG1-CD1 3.63Å; V704-L1260 HydrophobicContact CG2-CD1 3.86Å; C1247-L1260 HydrophobicContact CB-CD2 4.2Å
1261	W	87.3	Confident	86.9	Confident	2 Å²	2	59 Å²	59	1%	0.008	29%	0.29	C	S	.	.	S	Bend	trans	-82.4	-27.8	-179.3	-61.5	103.2	0	0	0	112.1	V704 H707 I725 P727 D728 T730 S1259 R1263	V704-W1261 HydrophobicContact CB-CZ3 4.22Å; V704-W1261 HydrophobicContact CG1-CE3 4.34Å; V704-W1261 HydrophobicContact CG2-CH2 3.92Å; V704-W1261 HydrophobicContact CG2-CZ2 4.38Å; V704-W1261 HydrophobicContact CG2-CZ3 4.02Å; H707-W1261 PolarHBondContact CE1-O 3.13Å; H707-W1261 PolarHBondContact NE2-O 3.4Å; I725-W1261 HydrophobicContact CG2-CH2 3.87Å; I725-W1261 HydrophobicContact CG2-CZ2 3.83Å; P727-W1261 HydrophobicContact CB-CD2 4.4Å; P727-W1261 HydrophobicContact CB-CE3 3.91Å; P727-W1261 HydrophobicContact CB-CH2 4.38Å; P727-W1261 HydrophobicContact CB-CZ3 3.88Å; P727-W1261 HydrophobicContact CG-CE3 4.45Å; P727-W1261 HydrophobicContact CG-CH2 4.22Å; P727-W1261 HydrophobicContact CG-CZ3 3.9Å; D728-W1261 VanDerWaalsContact N-CG 3.3Å; D728-W1261 VanDerWaalsContact OD1-CB 3.29Å; D728-W1261 WeakPolarHBondContact OD1-CB 3.23Å; T730-W1261 PolarHBondContact O-NE1 2.77Å; S1259-W1261 PolarHBondContact O-N 3.14Å; S1259-W1261 PolarHBondContact OG-N 3.37Å; W1261-R1263 PolarHBondContact O-N 3.02Å
1262	D	83.9	Confident	86.8	Confident	59 Å²	59	53.4 Å²	53.4	32%	0.316	27%	0.271	S	S	.	.			trans	-66.5	128.6	-175.4	-73.6	-69.6	0	0	0	112.8	F1258 S1259 P1363	F1258-D1262 VanDerWaalsContact CA-OD2 3.23Å; F1258-D1262 WeakPolarHBondContact CA-OD2 3.32Å; F1258-D1262 HydrophobicContact CB-CB 3.91Å; S1259-D1262 PolarHBondContact N-OD2 3.33Å; S1259-D1262 PolarHBondContact O-N 2.85Å; S1259-D1262 PolarHBondContact OG-OD2 2.99Å; D1262-P1363 HydrophobicContact CB-CB 4.16Å; D1262-P1363 WeakPolarHBondContact O-CB 3.3Å
1263	R	81	Confident	87	Confident	52 Å²	52	57.3 Å²	57.3	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.1	173.3	-177.6	174.5	-79.8	156.8	-1.8	110.7	T705 W1261 D1332 T1364 R1366	T705-R1263 PolarHBondContact O-NH1 3.3Å; W1261-R1263 PolarHBondContact O-N 3.02Å; R1263-D1332 IonicContact CZ-OD2 3.64Å; R1263-D1332 IonicContact NE-OD2 3.64Å; R1263-D1332 IonicContact NH2-OD2 3.95Å; R1263-D1332 PolarHBondContact NH2-OD2 2.94Å; R1263-T1364 WeakPolarHBondContact CA-O 3.43Å; R1263-T1364 WeakPolarHBondContact CG-O 3.5Å; R1263-R1366 HydrophobicContact CG-CB 3.99Å; R1263-R1366 VanDerWaalsContact CZ-NH2 3.34Å
1264	W	87.4	Confident	87.4	Confident	33 Å²	33	62.7 Å²	62.7	13%	0.125	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126	177.4	-67.8	-4.4	0	0	0	110.2	L1252 F1288 L1290 P1363 T1364 I1365 R1366	L1252-W1264 HydrophobicContact CD1-CH2 3.38Å; L1252-W1264 HydrophobicContact CD1-CZ2 3.72Å; L1252-W1264 HydrophobicContact CD1-CZ3 4.4Å; W1264-F1288 HydrophobicContact CB-CE1 4.42Å; W1264-F1288 HydrophobicContact CB-CZ 3.98Å; W1264-F1288 AromaticContact CD2-CD1 3.9Å; W1264-F1288 HydrophobicContact CD2-CD1 3.9Å; W1264-F1288 AromaticContact CD2-CE1 3.56Å; W1264-F1288 HydrophobicContact CD2-CE1 3.56Å; W1264-F1288 HydrophobicContact CD2-CE2 4.4Å; W1264-F1288 HydrophobicContact CD2-CG 4.45Å; W1264-F1288 AromaticContact CD2-CZ 3.85Å; W1264-F1288 HydrophobicContact CD2-CZ 3.85Å; W1264-F1288 AromaticContact CE3-CD1 3.6Å; W1264-F1288 HydrophobicContact CE3-CD1 3.6Å; W1264-F1288 AromaticContact CE3-CD2 3.78Å; W1264-F1288 HydrophobicContact CE3-CD2 3.78Å; W1264-F1288 AromaticContact CE3-CE1 3.6Å; W1264-F1288 HydrophobicContact CE3-CE1 3.6Å; W1264-F1288 AromaticContact CE3-CE2 3.79Å; W1264-F1288 HydrophobicContact CE3-CE2 3.79Å; W1264-F1288 AromaticContact CE3-CG 3.7Å; W1264-F1288 HydrophobicContact CE3-CG 3.7Å; W1264-F1288 AromaticContact CE3-CZ 3.7Å; W1264-F1288 HydrophobicContact CE3-CZ 3.7Å; W1264-F1288 AromaticContact CG-CE1 3.96Å; W1264-F1288 HydrophobicContact CG-CE1 3.96Å; W1264-F1288 HydrophobicContact CG-CZ 4.01Å; W1264-F1288 HydrophobicContact CH2-CB 4.14Å; W1264-F1288 AromaticContact CH2-CD1 3.8Å; W1264-F1288 HydrophobicContact CH2-CD1 3.8Å; W1264-F1288 HydrophobicContact CH2-CE1 4.46Å; W1264-F1288 HydrophobicContact CH2-CG 4.01Å; W1264-F1288 HydrophobicContact CZ2-CD1 4.11Å; W1264-F1288 HydrophobicContact CZ2-CE1 4.46Å; W1264-F1288 HydrophobicContact CZ3-CB 3.82Å; W1264-F1288 AromaticContact CZ3-CD1 3.56Å; W1264-F1288 HydrophobicContact CZ3-CD1 3.56Å; W1264-F1288 AromaticContact CZ3-CD2 3.86Å; W1264-F1288 HydrophobicContact CZ3-CD2 3.86Å; W1264-F1288 HydrophobicContact CZ3-CE1 4.07Å; W1264-F1288 HydrophobicContact CZ3-CE2 4.35Å; W1264-F1288 AromaticContact CZ3-CG 3.45Å; W1264-F1288 HydrophobicContact CZ3-CG 3.45Å; W1264-F1288 VanDerWaalsContact CZ3-CG 3.45Å; W1264-F1288 HydrophobicContact CZ3-CZ 4.44Å; W1264-L1290 HydrophobicContact CH2-CD1 3.68Å; W1264-L1290 HydrophobicContact CZ3-CD1 3.73Å; W1264-P1363 HydrophobicContact CD2-CG 3.41Å; W1264-P1363 VanDerWaalsContact CD2-CG 3.41Å; W1264-P1363 HydrophobicContact CE3-CG 3.77Å; W1264-P1363 HydrophobicContact CG-CG 3.86Å; W1264-P1363 HydrophobicContact CH2-CG 4.07Å; W1264-P1363 HydrophobicContact CZ2-CG 3.72Å; W1264-P1363 HydrophobicContact CZ3-CG 4.08Å; W1264-T1364 PolarHBondContact N-O 3Å; W1264-I1365 HydrophobicContact CB-CG1 4.08Å; W1264-I1365 CarbonylContact O-C 3.57Å; W1264-I1365 VanDerWaalsContact O-CA 3.28Å; W1264-I1365 WeakPolarHBondContact O-CA 3.45Å; W1264-R1366 PolarHBondContact O-N 3.34Å
1265	I	88.4	Confident	87.8	Confident	77 Å²	77	60.8 Å²	60.8	40%	0.395	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.8	179	-58.6	173.5	0	0	0	108.4	R1267 R1366	I1265-R1267 HydrophobicContact CG2-CG 4.44Å; I1265-R1366 WeakPolarHBondContact CA-O 3.38Å; I1265-R1366 HydrophobicContact CG1-CB 4.37Å
1266	I	90.1	Very high	88.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.7	173.1	-64.6	-173.4	0	0	0	108.4	F1280 I1284 F1288 I1365 R1366 F1367 Q1368	I1266-F1280 HydrophobicContact CB-CE2 4.49Å; I1266-F1280 HydrophobicContact CD1-CE2 3.83Å; I1266-F1280 HydrophobicContact CD1-CZ 4.14Å; I1266-F1280 HydrophobicContact CG2-CD2 4.35Å; I1266-F1280 HydrophobicContact CG2-CE2 4.27Å; I1266-I1284 HydrophobicContact CD1-CD1 3.22Å; I1266-I1284 HydrophobicContact CD1-CG1 3.84Å; I1266-F1288 HydrophobicContact CD1-CE2 4.24Å; I1266-F1288 HydrophobicContact CG1-CE2 4.41Å; I1266-I1365 HydrophobicContact CB-CG2 4.22Å; I1266-I1365 HydrophobicContact CD1-CD1 4.37Å; I1266-I1365 HydrophobicContact CD1-CG1 4.47Å; I1266-I1365 HydrophobicContact CD1-CG2 3.64Å; I1266-I1365 HydrophobicContact CG1-CG2 3.83Å; I1266-R1366 PolarHBondContact N-O 3.37Å; I1266-F1367 HydrophobicContact CB-CD2 4.44Å; I1266-F1367 HydrophobicContact CG2-CD2 4.16Å; I1266-F1367 HydrophobicContact CG2-CE2 4.49Å; I1266-Q1368 PolarHBondContact O-N 3.48Å
1267	R	92.8	Very high	88.9	Confident	145 Å²	145	59 Å²	59	55%	0.547	28%	0.282	S	S	.	.			trans	-92.6	127.3	167.8	-64.9	-173.5	-177.1	102	4.4	108.2	I1265 C1269 Q1283 Q1368	I1265-R1267 HydrophobicContact CG2-CG 4.44Å; R1267-C1269 PolarHBondContact O-N 2.75Å; R1267-Q1283 PolarHBondContact O-NE2 3.29Å; R1267-Q1283 PolarHBondContact O-OE1 2.93Å; R1267-Q1368 HydrophobicContact CG-CB 4.21Å
1268	P	91.4	Very high	89.4	Confident	32 Å²	32	54.7 Å²	54.7	21%	0.208	27%	0.269	C	S	.	.			trans	-52.7	125.9	178.9	-23.6	30.1	0	0	0	111.5	K1270 I1272 Y1275 F1367 Q1368	P1268-K1270 WeakPolarHBondContact CB-O 3.46Å; P1268-K1270 PolarHBondContact O-N 2.85Å; P1268-K1270 VanDerWaalsContact O-N 3.16Å; P1268-I1272 HydrophobicContact CG-CD1 4.44Å; P1268-Y1275 HydrophobicContact CB-CD1 4.37Å; P1268-Y1275 HydrophobicContact CB-CD2 3.76Å; P1268-Y1275 HydrophobicContact CB-CE2 4.05Å; P1268-Y1275 HydrophobicContact CB-CG 3.92Å; P1268-F1367 HydrophobicContact CB-CE2 4.41Å; P1268-F1367 HydrophobicContact CB-CZ 4.4Å; P1268-F1367 HydrophobicContact CG-CE1 4.46Å; P1268-F1367 HydrophobicContact CG-CE2 3.7Å; P1268-F1367 HydrophobicContact CG-CZ 3.61Å; P1268-Q1368 WeakPolarHBondContact CD-O 3.4Å; P1268-Q1368 WeakPolarHBondContact CG-O 3.46Å
1269	C	87.4	Confident	89.9	Confident	85 Å²	85	55.2 Å²	55.2	57%	0.574	27%	0.272	S	S	*	.	S	Bend	trans	-68.8	-6.9	174.7	70.1	0	0	0	0	113.9	R1267 Y1275	R1267-C1269 PolarHBondContact O-N 2.75Å; C1269-Y1275 HydrophobicContact CB-CE2 4.41Å; C1269-Y1275 VanDerWaalsContact N-CE2 3.33Å
1270	K	90.3	Very high	90.3	Very high	99 Å²	99	54.8 Å²	54.8	43%	0.43	27%	0.269	S	S	.	.	S	Bend	trans	-136.4	163.3	176.9	-58.8	173.7	-169.6	167.1	0	109	P1268 I1272 Y1275 D1279	P1268-K1270 WeakPolarHBondContact CB-O 3.46Å; P1268-K1270 PolarHBondContact O-N 2.85Å; P1268-K1270 VanDerWaalsContact O-N 3.16Å; K1270-I1272 PolarHBondContact O-N 3.01Å; K1270-Y1275 HydrophobicContact CB-CD2 4.2Å; K1270-D1279 IonicContact NZ-OD1 3.59Å; K1270-D1279 PolarHBondContact NZ-OD1 3.37Å; K1270-D1279 IonicContact NZ-OD2 3.63Å; K1270-D1279 PolarHBondContact NZ-OD2 3.35Å
1271	S	88.9	Confident	90.7	Very high	76 Å²	76	53 Å²	53	53%	0.531	26%	0.26	S	S	.	.			trans	-52.1	139.5	169.8	-169.2	0	0	0	0	110.9	D1273 K1274 Y1275	S1271-D1273 WeakPolarHBondContact CB-OD1 3.42Å; S1271-D1273 PolarHBondContact O-N 3.22Å; S1271-D1273 PolarHBondContact OG-OD1 3.43Å; S1271-K1274 CarbonylContact O-C 3.31Å; S1271-K1274 WeakPolarHBondContact O-CA 3.39Å; S1271-K1274 PolarHBondContact O-N 2.98Å; S1271-Y1275 PolarHBondContact O-N 2.8Å; S1271-Y1275 VanDerWaalsContact O-N 3.07Å
1272	I	87	Confident	91	Very high	38 Å²	38	56.7 Å²	56.7	20%	0.195	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.4	-166	-155.5	156	0	0	0	113.5	P1268 K1270 K1274 Y1275 I1317 I1319 F1367 L1369	P1268-I1272 HydrophobicContact CG-CD1 4.44Å; K1270-I1272 PolarHBondContact O-N 3.01Å; I1272-K1274 PolarHBondContact O-N 2.92Å; I1272-Y1275 PolarHBondContact O-N 2.84Å; I1272-I1317 WeakPolarHBondContact O-CG2 3.49Å; I1272-I1319 HydrophobicContact CD1-CD1 3.81Å; I1272-I1319 HydrophobicContact CD1-CG1 4.49Å; I1272-I1319 HydrophobicContact CG1-CB 4.21Å; I1272-I1319 HydrophobicContact CG1-CD1 4.02Å; I1272-F1367 HydrophobicContact CD1-CE1 3.88Å; I1272-F1367 HydrophobicContact CD1-CZ 4.3Å; I1272-F1367 HydrophobicContact CG1-CE1 4.34Å; I1272-F1367 HydrophobicContact CG1-CZ 4.44Å; I1272-L1369 HydrophobicContact CD1-CB 4.24Å; I1272-L1369 HydrophobicContact CD1-CD2 3.53Å; I1272-L1369 WeakPolarHBondContact CD1-OXT 3.31Å
1273	D	89.9	Confident	91.5	Very high	85 Å²	85	55 Å²	55	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.4	173.3	64.1	-52.4	0	0	0	113.5	S1271 I1317	S1271-D1273 WeakPolarHBondContact CB-OD1 3.42Å; S1271-D1273 PolarHBondContact O-N 3.22Å; S1271-D1273 PolarHBondContact OG-OD1 3.43Å; D1273-I1317 WeakPolarHBondContact O-CD1 3.46Å
1274	K	92.6	Very high	92	Very high	139 Å²	139	52.6 Å²	52.6	60%	0.604	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-6.7	179.5	-64	177.7	-173.7	173.3	0	113.4	S1271 I1272 R1276	S1271-K1274 CarbonylContact O-C 3.31Å; S1271-K1274 WeakPolarHBondContact O-CA 3.39Å; S1271-K1274 PolarHBondContact O-N 2.98Å; I1272-K1274 PolarHBondContact O-N 2.92Å; K1274-R1276 PolarHBondContact O-N 2.74Å
1275	Y	94.7	Very high	92.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.			trans	-78.7	110.2	-176.9	-167.8	-100	0	0	0	110	P1268 C1269 K1270 S1271 I1272 D1279 F1280 Q1283 F1318 F1367	P1268-Y1275 HydrophobicContact CB-CD1 4.37Å; P1268-Y1275 HydrophobicContact CB-CD2 3.76Å; P1268-Y1275 HydrophobicContact CB-CE2 4.05Å; P1268-Y1275 HydrophobicContact CB-CG 3.92Å; C1269-Y1275 HydrophobicContact CB-CE2 4.41Å; C1269-Y1275 VanDerWaalsContact N-CE2 3.33Å; K1270-Y1275 HydrophobicContact CB-CD2 4.2Å; S1271-Y1275 PolarHBondContact O-N 2.8Å; S1271-Y1275 VanDerWaalsContact O-N 3.07Å; I1272-Y1275 PolarHBondContact O-N 2.84Å; Y1275-D1279 HydrophobicContact CD2-CB 3.82Å; Y1275-D1279 HydrophobicContact CE1-CB 4.49Å; Y1275-D1279 HydrophobicContact CE2-CB 3.69Å; Y1275-D1279 HydrophobicContact CG-CB 4.28Å; Y1275-D1279 PolarHBondContact OH-O 2.92Å; Y1275-F1280 HydrophobicContact CE1-CB 3.75Å; Y1275-F1280 HydrophobicContact CE1-CD2 4.15Å; Y1275-F1280 HydrophobicContact CE1-CG 4.46Å; Y1275-F1280 WeakPolarHBondContact OH-CA 3.15Å; Y1275-Q1283 PolarHBondContact OH-OE1 3.36Å; Y1275-F1318 HydrophobicContact CD1-CB 4.07Å; Y1275-F1318 HydrophobicContact CD1-CD1 4.3Å; Y1275-F1318 HydrophobicContact CE1-CD1 4.29Å; Y1275-F1318 WeakPolarHBondContact O-CB 3.3Å; Y1275-F1318 PolarHBondContact O-N 3.24Å; Y1275-F1367 AromaticContact CD1-CE2 3.91Å; Y1275-F1367 HydrophobicContact CD1-CE2 3.91Å; Y1275-F1367 AromaticContact CD1-CZ 3.76Å; Y1275-F1367 HydrophobicContact CD1-CZ 3.76Å; Y1275-F1367 AromaticContact CE1-CE2 3.51Å; Y1275-F1367 HydrophobicContact CE1-CE2 3.51Å; Y1275-F1367 AromaticContact CE1-CZ 3.87Å; Y1275-F1367 HydrophobicContact CE1-CZ 3.87Å
1276	R	95.7	Very high	92.5	Very high	109 Å²	109	58.7 Å²	58.7	41%	0.411	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-89	164	-174.4	-65.3	176.4	175.5	-163.9	0.7	112.1	K1274 T1278 D1279 F1280 N1315 E1316	K1274-R1276 PolarHBondContact O-N 2.74Å; R1276-T1278 WeakPolarHBondContact CB-OG1 3.49Å; R1276-T1278 PolarHBondContact O-N 3Å; R1276-D1279 PolarHBondContact N-OD2 3.5Å; R1276-D1279 WeakPolarHBondContact O-CB 3.47Å; R1276-D1279 PolarHBondContact O-N 3.48Å; R1276-F1280 PolarHBondContact O-N 2.89Å; R1276-F1280 VanDerWaalsContact O-N 3.13Å; R1276-N1315 PolarHBondContact NH1-OD1 2.81Å; R1276-E1316 VanDerWaalsContact CA-O 3.3Å; R1276-E1316 WeakPolarHBondContact CA-O 3.21Å
1277	L	95.3	Very high	92.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-55.8	-37	171.5	175.7	61.7	0	0	0	112	F1280 I1281 I1295 Y1303 R1313 F1314 E1316 F1318 L1321	L1277-F1280 PolarHBondContact O-N 2.86Å; L1277-I1281 HydrophobicContact CD1-CD1 4.13Å; L1277-I1281 HydrophobicContact CD1-CG1 4.37Å; L1277-I1281 HydrophobicContact CG-CD1 4.05Å; L1277-I1281 WeakPolarHBondContact O-CG1 3.39Å; L1277-I1281 PolarHBondContact O-N 3.41Å; L1277-I1295 HydrophobicContact CD1-CD1 3.85Å; L1277-Y1303 HydrophobicContact CD2-CD2 4.01Å; L1277-Y1303 HydrophobicContact CD2-CG 4.21Å; L1277-R1313 HydrophobicContact CD2-CB 3.84Å; L1277-F1314 HydrophobicContact CD2-CD1 4.06Å; L1277-F1314 HydrophobicContact CG-CD1 4.42Å; L1277-E1316 PolarHBondContact N-O 3.19Å; L1277-E1316 VanDerWaalsContact N-O 3.09Å; L1277-F1318 HydrophobicContact CB-CD2 4.29Å; L1277-F1318 HydrophobicContact CD1-CD2 3.73Å; L1277-F1318 HydrophobicContact CD1-CE2 3.67Å; L1277-L1321 HydrophobicContact CB-CD1 4.04Å; L1277-L1321 HydrophobicContact CD2-CD1 4.03Å; L1277-L1321 HydrophobicContact CG-CD1 4.43Å
1278	T	94.6	Very high	92.2	Very high	35 Å²	35	57.4 Å²	57.4	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-42.9	172.9	34.5	0	0	0	0	112.5	R1276 F1280 I1281 D1282 F1314	R1276-T1278 WeakPolarHBondContact CB-OG1 3.49Å; R1276-T1278 PolarHBondContact O-N 3Å; T1278-F1280 VanDerWaalsContact C-N 3.29Å; T1278-F1280 PolarHBondContact O-N 3.39Å; T1278-I1281 PolarHBondContact O-N 3.46Å; T1278-D1282 VanDerWaalsContact O-CB 3.32Å; T1278-D1282 WeakPolarHBondContact O-CB 2.97Å; T1278-D1282 VanDerWaalsContact O-CG 3.31Å; T1278-D1282 PolarHBondContact O-N 3.04Å; T1278-F1314 WeakPolarHBondContact CB-O 3.28Å; T1278-F1314 HydrophobicContact CG2-CB 3.51Å; T1278-F1314 HydrophobicContact CG2-CD1 4.29Å; T1278-F1314 HydrophobicContact CG2-CD2 4.21Å; T1278-F1314 HydrophobicContact CG2-CG 3.78Å; T1278-F1314 VanDerWaalsContact CG2-O 3.26Å; T1278-F1314 WeakPolarHBondContact CG2-O 3.49Å; T1278-F1314 PolarHBondContact N-O 3.15Å; T1278-F1314 PolarHBondContact OG1-O 3.47Å
1279	D	95.7	Very high	92.2	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.112	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-38.8	177.4	-61.2	-42.2	0	0	0	111.3	K1270 Y1275 R1276 Q1283	K1270-D1279 IonicContact NZ-OD1 3.59Å; K1270-D1279 PolarHBondContact NZ-OD1 3.37Å; K1270-D1279 IonicContact NZ-OD2 3.63Å; K1270-D1279 PolarHBondContact NZ-OD2 3.35Å; Y1275-D1279 HydrophobicContact CD2-CB 3.82Å; Y1275-D1279 HydrophobicContact CE1-CB 4.49Å; Y1275-D1279 HydrophobicContact CE2-CB 3.69Å; Y1275-D1279 HydrophobicContact CG-CB 4.28Å; Y1275-D1279 PolarHBondContact OH-O 2.92Å; R1276-D1279 PolarHBondContact N-OD2 3.5Å; R1276-D1279 WeakPolarHBondContact O-CB 3.47Å; R1276-D1279 PolarHBondContact O-N 3.48Å; D1279-Q1283 WeakPolarHBondContact O-CB 2.94Å; D1279-Q1283 PolarHBondContact O-N 3.16Å
1280	F	95.2	Very high	92.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-49.1	174.1	-175	-95.2	0	0	0	112.7	I1266 Y1275 R1276 L1277 T1278 Q1283 I1284 I1295 F1318 L1333 V1335 I1365 F1367	I1266-F1280 HydrophobicContact CB-CE2 4.49Å; I1266-F1280 HydrophobicContact CD1-CE2 3.83Å; I1266-F1280 HydrophobicContact CD1-CZ 4.14Å; I1266-F1280 HydrophobicContact CG2-CD2 4.35Å; I1266-F1280 HydrophobicContact CG2-CE2 4.27Å; Y1275-F1280 HydrophobicContact CE1-CB 3.75Å; Y1275-F1280 HydrophobicContact CE1-CD2 4.15Å; Y1275-F1280 HydrophobicContact CE1-CG 4.46Å; Y1275-F1280 WeakPolarHBondContact OH-CA 3.15Å; R1276-F1280 PolarHBondContact O-N 2.89Å; R1276-F1280 VanDerWaalsContact O-N 3.13Å; L1277-F1280 PolarHBondContact O-N 2.86Å; T1278-F1280 VanDerWaalsContact C-N 3.29Å; T1278-F1280 PolarHBondContact O-N 3.39Å; F1280-Q1283 PolarHBondContact O-N 2.83Å; F1280-I1284 HydrophobicContact CD1-CG1 4.32Å; F1280-I1284 HydrophobicContact CE1-CD1 4.39Å; F1280-I1284 HydrophobicContact CE1-CG1 4.03Å; F1280-I1284 HydrophobicContact CZ-CD1 4.29Å; F1280-I1284 HydrophobicContact CZ-CG1 4.31Å; F1280-I1284 VanDerWaalsContact O-CG1 3.26Å; F1280-I1284 WeakPolarHBondContact O-CG1 3.49Å; F1280-I1284 PolarHBondContact O-N 2.88Å; F1280-I1295 HydrophobicContact CD1-CD1 3.68Å; F1280-I1295 HydrophobicContact CE1-CD1 3.69Å; F1280-I1295 HydrophobicContact CE1-CG1 4.34Å; F1280-F1318 HydrophobicContact CB-CD1 4.31Å; F1280-F1318 HydrophobicContact CB-CD2 4.36Å; F1280-F1318 HydrophobicContact CB-CE1 4.26Å; F1280-F1318 HydrophobicContact CB-CE2 4.32Å; F1280-F1318 HydrophobicContact CB-CG 4.36Å; F1280-F1318 HydrophobicContact CB-CZ 4.26Å; F1280-F1318 HydrophobicContact CD1-CE1 4.41Å; F1280-F1318 HydrophobicContact CD1-CE2 4.22Å; F1280-F1318 AromaticContact CD1-CZ 3.86Å; F1280-F1318 HydrophobicContact CD1-CZ 3.86Å; F1280-F1318 HydrophobicContact CD2-CD1 4.11Å; F1280-F1318 AromaticContact CD2-CE1 3.46Å; F1280-F1318 HydrophobicContact CD2-CE1 3.46Å; F1280-F1318 VanDerWaalsContact CD2-CE1 3.46Å; F1280-F1318 AromaticContact CD2-CZ 3.75Å; F1280-F1318 HydrophobicContact CD2-CZ 3.75Å; F1280-F1318 HydrophobicContact CE1-CZ 4.1Å; F1280-F1318 AromaticContact CE2-CE1 3.82Å; F1280-F1318 HydrophobicContact CE2-CE1 3.82Å; F1280-F1318 AromaticContact CE2-CZ 3.99Å; F1280-F1318 HydrophobicContact CE2-CZ 3.99Å; F1280-F1318 HydrophobicContact CG-CD1 4.32Å; F1280-F1318 AromaticContact CG-CE1 3.79Å; F1280-F1318 HydrophobicContact CG-CE1 3.79Å; F1280-F1318 HydrophobicContact CG-CE2 4.14Å; F1280-F1318 AromaticContact CG-CZ 3.68Å; F1280-F1318 HydrophobicContact CG-CZ 3.68Å; F1280-F1318 HydrophobicContact CZ-CE1 4.43Å; F1280-F1318 HydrophobicContact CZ-CZ 4.15Å; F1280-L1333 HydrophobicContact CE2-CD1 4.1Å; F1280-L1333 HydrophobicContact CZ-CD1 3.91Å; F1280-V1335 HydrophobicContact CE1-CG2 4.29Å; F1280-V1335 HydrophobicContact CZ-CG2 4.38Å; F1280-I1365 HydrophobicContact CE2-CG2 4.1Å; F1280-I1365 HydrophobicContact CZ-CG2 3.93Å; F1280-F1367 HydrophobicContact CD2-CD2 4.05Å; F1280-F1367 HydrophobicContact CD2-CE2 4.22Å; F1280-F1367 HydrophobicContact CE2-CD2 4.02Å
1281	I	94.5	Very high	92.4	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.8	-67.1	170.1	0	0	0	110.8	L1277 T1278 I1284 K1285 V1292 I1295 Y1303 F1314	L1277-I1281 HydrophobicContact CD1-CD1 4.13Å; L1277-I1281 HydrophobicContact CD1-CG1 4.37Å; L1277-I1281 HydrophobicContact CG-CD1 4.05Å; L1277-I1281 WeakPolarHBondContact O-CG1 3.39Å; L1277-I1281 PolarHBondContact O-N 3.41Å; T1278-I1281 PolarHBondContact O-N 3.46Å; I1281-I1284 PolarHBondContact O-N 2.84Å; I1281-K1285 WeakPolarHBondContact O-CB 3.46Å; I1281-K1285 PolarHBondContact O-N 3.43Å; I1281-V1292 HydrophobicContact CG1-CB 4.41Å; I1281-V1292 HydrophobicContact CG2-CB 4.35Å; I1281-V1292 HydrophobicContact CG2-CG2 4.47Å; I1281-I1295 HydrophobicContact CG1-CD1 4.29Å; I1281-Y1303 HydrophobicContact CD1-CD1 3.96Å; I1281-Y1303 HydrophobicContact CD1-CE1 3.77Å; I1281-Y1303 HydrophobicContact CD1-CE2 4.42Å; I1281-Y1303 HydrophobicContact CD1-CG 4.33Å; I1281-F1314 HydrophobicContact CD1-CD1 4.45Å; I1281-F1314 HydrophobicContact CD1-CE1 3.85Å
1282	D	94.6	Very high	92.6	Very high	80 Å²	80	52.9 Å²	52.9	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-39	178.7	-72.4	-22.5	0	0	0	111.4	T1278 K1285 N1286	T1278-D1282 VanDerWaalsContact O-CB 3.32Å; T1278-D1282 WeakPolarHBondContact O-CB 2.97Å; T1278-D1282 VanDerWaalsContact O-CG 3.31Å; T1278-D1282 PolarHBondContact O-N 3.04Å; D1282-K1285 PolarHBondContact O-N 3.17Å; D1282-N1286 WeakPolarHBondContact O-CB 3.39Å; D1282-N1286 PolarHBondContact O-N 3.08Å; D1282-N1286 PolarHBondContact O-ND2 3.5Å; D1282-N1286 VanDerWaalsContact O-ND2 3.08Å
1283	Q	94.3	Very high	92.9	Very high	24 Å²	24	51.2 Å²	51.2	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-42.6	175.4	-175	165.9	-15.9	0	0	111.3	R1267 Y1275 D1279 F1280 K1285 N1286 D1287	R1267-Q1283 PolarHBondContact O-NE2 3.29Å; R1267-Q1283 PolarHBondContact O-OE1 2.93Å; Y1275-Q1283 PolarHBondContact OH-OE1 3.36Å; D1279-Q1283 WeakPolarHBondContact O-CB 2.94Å; D1279-Q1283 PolarHBondContact O-N 3.16Å; F1280-Q1283 PolarHBondContact O-N 2.83Å; Q1283-K1285 VanDerWaalsContact C-N 3.34Å; Q1283-K1285 PolarHBondContact O-N 3.09Å; Q1283-N1286 PolarHBondContact O-N 2.95Å; Q1283-D1287 WeakPolarHBondContact CG-OD2 3.15Å; Q1283-D1287 PolarHBondContact NE2-OD2 2.85Å; Q1283-D1287 WeakPolarHBondContact O-CB 3.3Å; Q1283-D1287 PolarHBondContact O-N 3.38Å
1284	I	92.3	Very high	93.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-47.4	172.5	-69.6	-84.2	0	0	0	111.5	I1266 F1280 I1281 N1286 F1288 L1290 V1292 Y1337 I1365	I1266-I1284 HydrophobicContact CD1-CD1 3.22Å; I1266-I1284 HydrophobicContact CD1-CG1 3.84Å; F1280-I1284 HydrophobicContact CD1-CG1 4.32Å; F1280-I1284 HydrophobicContact CE1-CD1 4.39Å; F1280-I1284 HydrophobicContact CE1-CG1 4.03Å; F1280-I1284 HydrophobicContact CZ-CD1 4.29Å; F1280-I1284 HydrophobicContact CZ-CG1 4.31Å; F1280-I1284 VanDerWaalsContact O-CG1 3.26Å; F1280-I1284 WeakPolarHBondContact O-CG1 3.49Å; F1280-I1284 PolarHBondContact O-N 2.88Å; I1281-I1284 PolarHBondContact O-N 2.84Å; I1284-N1286 VanDerWaalsContact C-N 3.31Å; I1284-N1286 PolarHBondContact O-N 2.87Å; I1284-F1288 HydrophobicContact CD1-CD2 4.2Å; I1284-F1288 HydrophobicContact CD1-CE2 4.29Å; I1284-F1288 WeakPolarHBondContact O-CB 3.42Å; I1284-F1288 PolarHBondContact O-N 2.88Å; I1284-L1290 HydrophobicContact CG2-CB 4.45Å; I1284-V1292 HydrophobicContact CB-CG2 3.95Å; I1284-V1292 HydrophobicContact CG1-CG2 4.19Å; I1284-V1292 HydrophobicContact CG2-CG2 3.52Å; I1284-Y1337 HydrophobicContact CG2-CE1 3.74Å; I1284-I1365 HydrophobicContact CD1-CD1 3.33Å; I1284-I1365 HydrophobicContact CD1-CG1 4.42Å
1285	K	92.8	Very high	93.2	Very high	110 Å²	110	42.8 Å²	42.8	48%	0.478	22%	0.216	S	C	.	.	H	α-helix	trans	-62.9	-40.1	-179.3	-174.2	177.8	178.5	-179.7	0	111.5	I1281 D1282 Q1283 N1289 L1290	I1281-K1285 WeakPolarHBondContact O-CB 3.46Å; I1281-K1285 PolarHBondContact O-N 3.43Å; D1282-K1285 PolarHBondContact O-N 3.17Å; Q1283-K1285 VanDerWaalsContact C-N 3.34Å; Q1283-K1285 PolarHBondContact O-N 3.09Å; K1285-N1289 WeakPolarHBondContact O-CA 3.29Å; K1285-N1289 PolarHBondContact O-N 2.98Å; K1285-L1290 WeakPolarHBondContact CA-O 3.38Å
1286	N	92.1	Very high	93.2	Very high	128 Å²	128	44 Å²	44	68%	0.684	22%	0.224	S	C	*	.	H	α-helix	trans	-75.4	-42.8	-179.8	-66	-27.8	0	0	0	112.4	D1282 Q1283 I1284	D1282-N1286 WeakPolarHBondContact O-CB 3.39Å; D1282-N1286 PolarHBondContact O-N 3.08Å; D1282-N1286 PolarHBondContact O-ND2 3.5Å; D1282-N1286 VanDerWaalsContact O-ND2 3.08Å; Q1283-N1286 PolarHBondContact O-N 2.95Å; I1284-N1286 VanDerWaalsContact C-N 3.31Å; I1284-N1286 PolarHBondContact O-N 2.87Å
1287	D	89.2	Confident	93.1	Very high	87 Å²	87	40.3 Å²	40.3	47%	0.465	21%	0.211	S	C	.	.	H	α-helix	trans	-77.5	-34.3	-174.7	-67.2	-6.1	0	0	0	111.9	Q1283	Q1283-D1287 WeakPolarHBondContact CG-OD2 3.15Å; Q1283-D1287 PolarHBondContact NE2-OD2 2.85Å; Q1283-D1287 WeakPolarHBondContact O-CB 3.3Å; Q1283-D1287 PolarHBondContact O-N 3.38Å
1288	F	88	Confident	92.6	Very high	32 Å²	32	43.4 Å²	43.4	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-121	-7.5	-172.7	-53	-72.9	0	0	0	114.9	N1254 W1264 I1266 I1284 L1290	N1254-F1288 PolarHBondContact ND2-O 3.15Å; W1264-F1288 HydrophobicContact CB-CE1 4.42Å; W1264-F1288 HydrophobicContact CB-CZ 3.98Å; W1264-F1288 AromaticContact CD2-CD1 3.9Å; W1264-F1288 HydrophobicContact CD2-CD1 3.9Å; W1264-F1288 AromaticContact CD2-CE1 3.56Å; W1264-F1288 HydrophobicContact CD2-CE1 3.56Å; W1264-F1288 HydrophobicContact CD2-CE2 4.4Å; W1264-F1288 HydrophobicContact CD2-CG 4.45Å; W1264-F1288 AromaticContact CD2-CZ 3.85Å; W1264-F1288 HydrophobicContact CD2-CZ 3.85Å; W1264-F1288 AromaticContact CE3-CD1 3.6Å; W1264-F1288 HydrophobicContact CE3-CD1 3.6Å; W1264-F1288 AromaticContact CE3-CD2 3.78Å; W1264-F1288 HydrophobicContact CE3-CD2 3.78Å; W1264-F1288 AromaticContact CE3-CE1 3.6Å; W1264-F1288 HydrophobicContact CE3-CE1 3.6Å; W1264-F1288 AromaticContact CE3-CE2 3.79Å; W1264-F1288 HydrophobicContact CE3-CE2 3.79Å; W1264-F1288 AromaticContact CE3-CG 3.7Å; W1264-F1288 HydrophobicContact CE3-CG 3.7Å; W1264-F1288 AromaticContact CE3-CZ 3.7Å; W1264-F1288 HydrophobicContact CE3-CZ 3.7Å; W1264-F1288 AromaticContact CG-CE1 3.96Å; W1264-F1288 HydrophobicContact CG-CE1 3.96Å; W1264-F1288 HydrophobicContact CG-CZ 4.01Å; W1264-F1288 HydrophobicContact CH2-CB 4.14Å; W1264-F1288 AromaticContact CH2-CD1 3.8Å; W1264-F1288 HydrophobicContact CH2-CD1 3.8Å; W1264-F1288 HydrophobicContact CH2-CE1 4.46Å; W1264-F1288 HydrophobicContact CH2-CG 4.01Å; W1264-F1288 HydrophobicContact CZ2-CD1 4.11Å; W1264-F1288 HydrophobicContact CZ2-CE1 4.46Å; W1264-F1288 HydrophobicContact CZ3-CB 3.82Å; W1264-F1288 AromaticContact CZ3-CD1 3.56Å; W1264-F1288 HydrophobicContact CZ3-CD1 3.56Å; W1264-F1288 AromaticContact CZ3-CD2 3.86Å; W1264-F1288 HydrophobicContact CZ3-CD2 3.86Å; W1264-F1288 HydrophobicContact CZ3-CE1 4.07Å; W1264-F1288 HydrophobicContact CZ3-CE2 4.35Å; W1264-F1288 AromaticContact CZ3-CG 3.45Å; W1264-F1288 HydrophobicContact CZ3-CG 3.45Å; W1264-F1288 VanDerWaalsContact CZ3-CG 3.45Å; W1264-F1288 HydrophobicContact CZ3-CZ 4.44Å; I1266-F1288 HydrophobicContact CD1-CE2 4.24Å; I1266-F1288 HydrophobicContact CG1-CE2 4.41Å; I1284-F1288 HydrophobicContact CD1-CD2 4.2Å; I1284-F1288 HydrophobicContact CD1-CE2 4.29Å; I1284-F1288 WeakPolarHBondContact O-CB 3.42Å; I1284-F1288 PolarHBondContact O-N 2.88Å; F1288-L1290 VanDerWaalsContact C-N 3.31Å; F1288-L1290 HydrophobicContact CB-CD1 4.06Å; F1288-L1290 HydrophobicContact CB-CG 4.24Å; F1288-L1290 PolarHBondContact O-N 3.3Å
1289	N	91	Very high	92.2	Very high	126 Å²	126	50 Å²	50	67%	0.674	28%	0.277	S	S	*	.			trans	54.7	44.8	-173.5	-167.9	41.4	0	0	0	112.9	K1285	K1285-N1289 WeakPolarHBondContact O-CA 3.29Å; K1285-N1289 PolarHBondContact O-N 2.98Å
1290	L	91.4	Very high	92	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	29%	0.287	C	S	.	.			trans	-125.1	144.2	178.9	-66.6	172	0	0	0	111.1	L1252 P1253 N1254 W1264 I1284 K1285 F1288 Y1337	L1252-L1290 HydrophobicContact CB-CD2 4.32Å; L1252-L1290 HydrophobicContact CD1-CD1 4.01Å; P1253-L1290 HydrophobicContact CB-CD2 3.96Å; P1253-L1290 HydrophobicContact CG-CD2 4Å; N1254-L1290 HydrophobicContact CB-CD2 3.85Å; N1254-L1290 HydrophobicContact CB-CG 4.3Å; W1264-L1290 HydrophobicContact CH2-CD1 3.68Å; W1264-L1290 HydrophobicContact CZ3-CD1 3.73Å; I1284-L1290 HydrophobicContact CG2-CB 4.45Å; K1285-L1290 WeakPolarHBondContact CA-O 3.38Å; F1288-L1290 VanDerWaalsContact C-N 3.31Å; F1288-L1290 HydrophobicContact CB-CD1 4.06Å; F1288-L1290 HydrophobicContact CB-CG 4.24Å; F1288-L1290 PolarHBondContact O-N 3.3Å; L1290-Y1337 HydrophobicContact CB-CD1 3.41Å; L1290-Y1337 VanDerWaalsContact CB-CD1 3.41Å; L1290-Y1337 HydrophobicContact CB-CE1 3.67Å; L1290-Y1337 HydrophobicContact CB-CG 4.09Å; L1290-Y1337 HydrophobicContact CD1-CD1 3.95Å; L1290-Y1337 HydrophobicContact CD1-CD2 4.21Å; L1290-Y1337 HydrophobicContact CD1-CE1 3.8Å; L1290-Y1337 HydrophobicContact CD1-CE2 4.15Å; L1290-Y1337 HydrophobicContact CD1-CG 4.1Å; L1290-Y1337 HydrophobicContact CG-CD1 4.21Å; L1290-Y1337 HydrophobicContact CG-CE1 4.38Å; L1290-Y1337 HydrophobicContact CG-CG 4.49Å
1291	V	91.7	Very high	91.8	Very high	66 Å²	66	56.9 Å²	56.9	40%	0.4	31%	0.306	S	S	.	.			trans	-98.5	117.5	177.4	-176.5	0	0	0	0	108.9	S1293 Y1337 E1338	V1291-S1293 PolarHBondContact O-N 3.41Å; V1291-Y1337 WeakPolarHBondContact O-CA 3.28Å; V1291-E1338 HydrophobicContact CB-CB 4.48Å; V1291-E1338 HydrophobicContact CB-CG 4.43Å; V1291-E1338 HydrophobicContact CG1-CG 4.22Å; V1291-E1338 PolarHBondContact O-N 2.83Å; V1291-E1338 VanDerWaalsContact O-N 3.1Å
1292	V	92.7	Very high	91.8	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.1	-178.8	177.3	0	0	0	0	111	I1281 I1284 I1295 Y1303 V1335 Y1337	I1281-V1292 HydrophobicContact CG1-CB 4.41Å; I1281-V1292 HydrophobicContact CG2-CB 4.35Å; I1281-V1292 HydrophobicContact CG2-CG2 4.47Å; I1284-V1292 HydrophobicContact CB-CG2 3.95Å; I1284-V1292 HydrophobicContact CG1-CG2 4.19Å; I1284-V1292 HydrophobicContact CG2-CG2 3.52Å; V1292-I1295 HydrophobicContact CG1-CD1 3.94Å; V1292-I1295 HydrophobicContact CG1-CG1 3.54Å; V1292-Y1303 HydrophobicContact CG1-CD1 4.17Å; V1292-Y1303 HydrophobicContact CG1-CE1 4.22Å; V1292-V1335 HydrophobicContact CB-CG1 4.34Å; V1292-V1335 HydrophobicContact CG1-CG1 3.72Å; V1292-V1335 HydrophobicContact CG2-CG1 3.92Å; V1292-Y1337 HydrophobicContact CG2-CD1 4.49Å; V1292-Y1337 HydrophobicContact CG2-CE1 4.25Å
1293	S	92.7	Very high	91.8	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-41.5	173.2	-178	0	0	0	0	112.8	V1291 M1304 H1305 A1336 C1359	V1291-S1293 PolarHBondContact O-N 3.41Å; S1293-M1304 CarbonylContact O-C 3.57Å; S1293-M1304 VanDerWaalsContact O-CA 3.3Å; S1293-M1304 WeakPolarHBondContact O-CA 3.25Å; S1293-H1305 PolarHBondContact O-N 3.02Å; S1293-A1336 PolarHBondContact N-O 2.81Å; S1293-C1359 VanDerWaalsContact CB-SG 3.59Å; S1293-C1359 PolarHBondContact OG-SG 3.4Å
1294	L	93.3	Very high	91.7	Very high	47 Å²	47	52.9 Å²	52.9	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141	-176.7	173.8	68.3	0	0	0	110.1	T1296 M1301 Y1303 M1304 V1335 A1336	L1294-T1296 HydrophobicContact CD1-CG2 3.81Å; L1294-T1296 HydrophobicContact CD2-CG2 4.04Å; L1294-T1296 HydrophobicContact CG-CG2 3.88Å; L1294-M1301 HydrophobicContact CD1-CG 3.79Å; L1294-M1301 HydrophobicContact CD1-SD 4.19Å; L1294-Y1303 CarbonylContact C-O 3.59Å; L1294-Y1303 WeakPolarHBondContact CA-O 3.15Å; L1294-Y1303 WeakPolarHBondContact CD1-O 3.49Å; L1294-M1304 HydrophobicContact CD1-CB 3.96Å; L1294-M1304 HydrophobicContact CD1-CG 4.13Å; L1294-M1304 HydrophobicContact CD1-SD 4.22Å; L1294-V1335 CarbonylContact O-C 3.28Å; L1294-V1335 VanDerWaalsContact O-CA 3.27Å; L1294-V1335 WeakPolarHBondContact O-CA 3.46Å; L1294-V1335 WeakPolarHBondContact O-CG1 3.43Å; L1294-A1336 HydrophobicContact CB-CB 4.03Å; L1294-A1336 PolarHBondContact N-O 3.18Å; L1294-A1336 PolarHBondContact O-N 3.38Å
1295	I	95.6	Very high	91.5	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125	168.6	-53.9	172.1	0	0	0	107.9	L1277 F1280 I1281 V1292 V1302 Y1303 M1334 V1335	L1277-I1295 HydrophobicContact CD1-CD1 3.85Å; F1280-I1295 HydrophobicContact CD1-CD1 3.68Å; F1280-I1295 HydrophobicContact CE1-CD1 3.69Å; F1280-I1295 HydrophobicContact CE1-CG1 4.34Å; I1281-I1295 HydrophobicContact CG1-CD1 4.29Å; V1292-I1295 HydrophobicContact CG1-CD1 3.94Å; V1292-I1295 HydrophobicContact CG1-CG1 3.54Å; I1295-V1302 HydrophobicContact CB-CB 4.16Å; I1295-V1302 HydrophobicContact CG2-CB 3.93Å; I1295-V1302 HydrophobicContact CG2-CG1 4.27Å; I1295-V1302 HydrophobicContact CG2-CG2 4.36Å; I1295-V1302 WeakPolarHBondContact O-CB 3.5Å; I1295-V1302 PolarHBondContact O-N 3.36Å; I1295-Y1303 HydrophobicContact CD1-CD1 4.13Å; I1295-Y1303 HydrophobicContact CG1-CD1 4.2Å; I1295-Y1303 PolarHBondContact N-O 3.28Å; I1295-Y1303 PolarHBondContact O-N 2.82Å; I1295-M1334 WeakPolarHBondContact CA-O 3.04Å; I1295-V1335 HydrophobicContact CG1-CG1 4.39Å; I1295-V1335 HydrophobicContact CG1-CG2 4.31Å; I1295-V1335 HydrophobicContact CG2-CG2 4.38Å
1296	T	94.9	Very high	91	Very high	25 Å²	25	56.4 Å²	56.4	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.2	173.7	63.5	0	0	0	0	112	L1294 R1300 M1334	L1294-T1296 HydrophobicContact CD1-CG2 3.81Å; L1294-T1296 HydrophobicContact CD2-CG2 4.04Å; L1294-T1296 HydrophobicContact CG-CG2 3.88Å; T1296-R1300 CarbonylContact C-O 3.38Å; T1296-R1300 VanDerWaalsContact CA-O 3.24Å; T1296-R1300 WeakPolarHBondContact CA-O 3.44Å; T1296-R1300 WeakPolarHBondContact CB-O 3.38Å; T1296-M1334 PolarHBondContact N-O 3.42Å; T1296-M1334 PolarHBondContact O-N 2.92Å
1297	Q	93.3	Very high	90.7	Very high	33 Å²	33	55.3 Å²	55.3	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	101.2	168.4	-173.5	-168.5	15.6	0	0	107.8	N1299 R1300 V1302 N1323 I1331 L1333	Q1297-N1299 PolarHBondContact O-N 3.29Å; Q1297-R1300 PolarHBondContact N-O 3.23Å; Q1297-R1300 WeakPolarHBondContact O-CB 3.35Å; Q1297-R1300 PolarHBondContact O-N 3.32Å; Q1297-V1302 HydrophobicContact CB-CG2 4.2Å; Q1297-N1323 PolarHBondContact NE2-O 3.02Å; Q1297-I1331 HydrophobicContact CG-CG2 4.17Å; Q1297-I1331 VanDerWaalsContact NE2-CG2 3.28Å; Q1297-L1333 HydrophobicContact CB-CD2 3.91Å; Q1297-L1333 HydrophobicContact CG-CD2 4.17Å
1298	G	85.5	Confident	90.3	Very high	65 Å²	65	55.9 Å²	55.9	67%	0.67	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-126.3	-167.7	0	0	0	0	0	111.1	R1300	G1298-R1300 VanDerWaalsContact C-N 3.32Å
1299	N	85.5	Confident	90.2	Very high	172 Å²	172	61.6 Å²	61.6	92%	0.92	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.5	175.7	64.8	-10	0	0	0	114.1	Q1297	Q1297-N1299 PolarHBondContact O-N 3.29Å
1300	R	91.2	Very high	90.1	Very high	88 Å²	88	56.4 Å²	56.4	33%	0.332	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.2	-179.5	-174.2	178.3	178.7	-178.8	-5.8	110.7	T1296 Q1297 G1298 V1302 L1321 N1323	T1296-R1300 CarbonylContact C-O 3.38Å; T1296-R1300 VanDerWaalsContact CA-O 3.24Å; T1296-R1300 WeakPolarHBondContact CA-O 3.44Å; T1296-R1300 WeakPolarHBondContact CB-O 3.38Å; Q1297-R1300 PolarHBondContact N-O 3.23Å; Q1297-R1300 WeakPolarHBondContact O-CB 3.35Å; Q1297-R1300 PolarHBondContact O-N 3.32Å; G1298-R1300 VanDerWaalsContact C-N 3.32Å; R1300-V1302 PolarHBondContact O-N 3.07Å; R1300-L1321 PolarHBondContact NE-O 3.04Å; R1300-L1321 PolarHBondContact NH2-O 2.69Å; R1300-L1321 VanDerWaalsContact NH2-O 3.12Å; R1300-N1323 PolarHBondContact NH1-OD1 2.95Å
1301	M	92.3	Very high	89.6	Confident	78 Å²	78	61.8 Å²	61.8	38%	0.384	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	110.8	173.5	-168.3	-176.5	-56.5	0	0	111	L1294 M1304 R1313	L1294-M1301 HydrophobicContact CD1-CG 3.79Å; L1294-M1301 HydrophobicContact CD1-SD 4.19Å; M1301-M1304 HydrophobicContact CE-SD 4.35Å; M1301-M1304 HydrophobicContact CG-CB 4.46Å; M1301-M1304 HydrophobicContact SD-CB 3.77Å; M1301-M1304 HydrophobicContact SD-CE 4.17Å; M1301-M1304 HydrophobicContact SD-SD 4.05Å; M1301-R1313 PolarHBondContact O-NH1 3.21Å
1302	V	93.5	Very high	89.4	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-46.8	-178.6	-179.6	0	0	0	0	110.2	I1295 Q1297 R1300 R1313 F1318 L1321 L1322	I1295-V1302 HydrophobicContact CB-CB 4.16Å; I1295-V1302 HydrophobicContact CG2-CB 3.93Å; I1295-V1302 HydrophobicContact CG2-CG1 4.27Å; I1295-V1302 HydrophobicContact CG2-CG2 4.36Å; I1295-V1302 WeakPolarHBondContact O-CB 3.5Å; I1295-V1302 PolarHBondContact O-N 3.36Å; Q1297-V1302 HydrophobicContact CB-CG2 4.2Å; R1300-V1302 PolarHBondContact O-N 3.07Å; V1302-R1313 PolarHBondContact O-NH1 3.13Å; V1302-F1318 HydrophobicContact CG1-CE2 4.03Å; V1302-L1321 HydrophobicContact CG1-CB 3.94Å; V1302-L1321 HydrophobicContact CG1-CD1 4.35Å; V1302-L1322 HydrophobicContact CB-CD2 4.47Å; V1302-L1322 HydrophobicContact CG1-CD2 4.01Å; V1302-L1322 HydrophobicContact CG2-CD2 3.6Å
1303	Y	94.2	Very high	89.4	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.7	179.8	167.6	-103.4	0	0	0	111	L1277 I1281 V1292 L1294 I1295 H1305 H1310 F1314	L1277-Y1303 HydrophobicContact CD2-CD2 4.01Å; L1277-Y1303 HydrophobicContact CD2-CG 4.21Å; I1281-Y1303 HydrophobicContact CD1-CD1 3.96Å; I1281-Y1303 HydrophobicContact CD1-CE1 3.77Å; I1281-Y1303 HydrophobicContact CD1-CE2 4.42Å; I1281-Y1303 HydrophobicContact CD1-CG 4.33Å; V1292-Y1303 HydrophobicContact CG1-CD1 4.17Å; V1292-Y1303 HydrophobicContact CG1-CE1 4.22Å; L1294-Y1303 CarbonylContact C-O 3.59Å; L1294-Y1303 WeakPolarHBondContact CA-O 3.15Å; L1294-Y1303 WeakPolarHBondContact CD1-O 3.49Å; I1295-Y1303 HydrophobicContact CD1-CD1 4.13Å; I1295-Y1303 HydrophobicContact CG1-CD1 4.2Å; I1295-Y1303 PolarHBondContact N-O 3.28Å; I1295-Y1303 PolarHBondContact O-N 2.82Å; Y1303-H1305 HydrophobicContact CE1-CB 4.37Å; Y1303-H1305 WeakPolarHBondContact OH-CA 3.49Å; Y1303-H1305 PolarHBondContact OH-ND1 2.63Å; Y1303-H1305 VanDerWaalsContact OH-ND1 3.1Å; Y1303-H1310 HydrophobicContact CD2-CB 3.96Å; Y1303-H1310 HydrophobicContact CE2-CB 4.38Å; Y1303-F1314 AromaticContact CD2-CE1 3.96Å; Y1303-F1314 HydrophobicContact CD2-CE1 3.96Å; Y1303-F1314 HydrophobicContact CE2-CD1 4.28Å; Y1303-F1314 AromaticContact CE2-CE1 3.29Å; Y1303-F1314 HydrophobicContact CE2-CE1 3.29Å; Y1303-F1314 AromaticContact CE2-CZ 3.85Å; Y1303-F1314 HydrophobicContact CE2-CZ 3.85Å; Y1303-F1314 AromaticContact CZ-CE1 3.74Å
1304	M	92.3	Very high	89.4	Confident	39 Å²	39	68.2 Å²	68.2	19%	0.192	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	126.6	171	-173.7	169	73.6	0	0	109.6	S1293 L1294 M1301 H1306 F1307 H1310	S1293-M1304 CarbonylContact O-C 3.57Å; S1293-M1304 VanDerWaalsContact O-CA 3.3Å; S1293-M1304 WeakPolarHBondContact O-CA 3.25Å; L1294-M1304 HydrophobicContact CD1-CB 3.96Å; L1294-M1304 HydrophobicContact CD1-CG 4.13Å; L1294-M1304 HydrophobicContact CD1-SD 4.22Å; M1301-M1304 HydrophobicContact CE-SD 4.35Å; M1301-M1304 HydrophobicContact CG-CB 4.46Å; M1301-M1304 HydrophobicContact SD-CB 3.77Å; M1301-M1304 HydrophobicContact SD-CE 4.17Å; M1301-M1304 HydrophobicContact SD-SD 4.05Å; M1304-H1306 VanDerWaalsContact C-N 3.35Å; M1304-H1306 PolarHBondContact O-N 2.72Å; M1304-F1307 HydrophobicContact CB-CB 4.43Å; M1304-F1307 HydrophobicContact CE-CB 4.12Å; M1304-F1307 HydrophobicContact CE-CD1 4.23Å; M1304-F1307 HydrophobicContact CE-CD2 2.95Å; M1304-F1307 HydrophobicContact CE-CE1 4.44Å; M1304-F1307 HydrophobicContact CE-CE2 3.22Å; M1304-F1307 HydrophobicContact CE-CG 3.52Å; M1304-F1307 HydrophobicContact CE-CZ 3.98Å; M1304-F1307 PolarHBondContact O-N 3.47Å; M1304-F1307 VanDerWaalsContact O-N 3.12Å; M1304-H1310 PolarHBondContact N-ND1 3.43Å; M1304-H1310 VanDerWaalsContact N-ND1 3.16Å
1305	H	88	Confident	89.3	Confident	65 Å²	65	71.1 Å²	71.1	30%	0.301	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-41.6	-170.3	-174.5	68.6	0	0	0	113	S1293 Y1303 F1307 E1338	S1293-H1305 PolarHBondContact O-N 3.02Å; Y1303-H1305 HydrophobicContact CE1-CB 4.37Å; Y1303-H1305 WeakPolarHBondContact OH-CA 3.49Å; Y1303-H1305 PolarHBondContact OH-ND1 2.63Å; Y1303-H1305 VanDerWaalsContact OH-ND1 3.1Å; H1305-F1307 VanDerWaalsContact C-N 3.27Å; H1305-F1307 PolarHBondContact O-N 3.44Å; H1305-E1338 IonicContact CD2-OE1 3.84Å; H1305-E1338 IonicContact NE2-OE1 2.75Å
1306	H	83.1	Confident	89.2	Confident	119 Å²	119	75.2 Å²	75.2	55%	0.551	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.2	-179.7	-64	-59.4	0	0	0	114.6	M1304 P1308	M1304-H1306 VanDerWaalsContact C-N 3.35Å; M1304-H1306 PolarHBondContact O-N 2.72Å; H1306-P1308 VanDerWaalsContact O-CD 3.27Å; H1306-P1308 WeakPolarHBondContact O-CD 3.4Å
1307	F	86.4	Confident	89.2	Confident	106 Å²	106	76.4 Å²	76.4	47%	0.465	39%	0.394	S	S	.	.			trans	-92.5	105.2	174.9	-100.5	-140.7	0	0	0	110.2	M1304 H1305 M1309 H1310	M1304-F1307 HydrophobicContact CB-CB 4.43Å; M1304-F1307 HydrophobicContact CE-CB 4.12Å; M1304-F1307 HydrophobicContact CE-CD1 4.23Å; M1304-F1307 HydrophobicContact CE-CD2 2.95Å; M1304-F1307 HydrophobicContact CE-CE1 4.44Å; M1304-F1307 HydrophobicContact CE-CE2 3.22Å; M1304-F1307 HydrophobicContact CE-CG 3.52Å; M1304-F1307 HydrophobicContact CE-CZ 3.98Å; M1304-F1307 PolarHBondContact O-N 3.47Å; M1304-F1307 VanDerWaalsContact O-N 3.12Å; H1305-F1307 VanDerWaalsContact C-N 3.27Å; H1305-F1307 PolarHBondContact O-N 3.44Å; F1307-M1309 PolarHBondContact O-N 3.26Å; F1307-M1309 VanDerWaalsContact O-N 3.15Å; F1307-H1310 HydrophobicContact CB-CB 4.39Å; F1307-H1310 WeakPolarHBondContact O-CB 3.4Å; F1307-H1310 PolarHBondContact O-N 3.25Å
1308	P	80.2	Confident	89.2	Confident	99 Å²	99	74.9 Å²	74.9	64%	0.643	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.9	-34.5	-172.6	-22.8	34.4	0	0	0	112.8	H1306 H1310 K1311	H1306-P1308 VanDerWaalsContact O-CD 3.27Å; H1306-P1308 WeakPolarHBondContact O-CD 3.4Å; P1308-H1310 PolarHBondContact O-N 3.06Å; P1308-K1311 WeakPolarHBondContact O-CB 3.46Å; P1308-K1311 PolarHBondContact O-N 3.07Å; P1308-K1311 VanDerWaalsContact O-N 3.08Å
1309	M	84.6	Confident	89.5	Confident	152 Å²	152	72.4 Å²	72.4	75%	0.749	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.6	-24.5	177.1	-67.8	-63.7	-69.5	0	0	112.9	F1307 K1311 S1312	F1307-M1309 PolarHBondContact O-N 3.26Å; F1307-M1309 VanDerWaalsContact O-N 3.15Å; M1309-K1311 VanDerWaalsContact C-N 3.28Å; M1309-K1311 PolarHBondContact O-N 2.95Å; M1309-S1312 PolarHBondContact O-N 2.89Å; M1309-S1312 PolarHBondContact O-OG 3.07Å
1310	H	89.7	Confident	89.9	Confident	16 Å²	16	69 Å²	69	7%	0.074	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-76.4	-15.9	177.1	-69	175.3	0	0	0	112.9	Y1303 M1304 F1307 P1308 S1312 R1313	Y1303-H1310 HydrophobicContact CD2-CB 3.96Å; Y1303-H1310 HydrophobicContact CE2-CB 4.38Å; M1304-H1310 PolarHBondContact N-ND1 3.43Å; M1304-H1310 VanDerWaalsContact N-ND1 3.16Å; F1307-H1310 HydrophobicContact CB-CB 4.39Å; F1307-H1310 WeakPolarHBondContact O-CB 3.4Å; F1307-H1310 PolarHBondContact O-N 3.25Å; P1308-H1310 PolarHBondContact O-N 3.06Å; H1310-S1312 PolarHBondContact O-N 3.14Å; H1310-R1313 PolarHBondContact NE2-NH1 3.38Å; H1310-R1313 PolarHBondContact NE2-NH2 3.36Å; H1310-R1313 WeakPolarHBondContact O-CB 3.23Å; H1310-R1313 PolarHBondContact O-N 2.85Å
1311	K	81	Confident	90	Very high	115 Å²	115	65.2 Å²	65.2	50%	0.5	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24.3	173.9	-64.2	-174.5	177.1	-178.1	0	112.3	P1308 M1309 R1313 F1314	P1308-K1311 WeakPolarHBondContact O-CB 3.46Å; P1308-K1311 PolarHBondContact O-N 3.07Å; P1308-K1311 VanDerWaalsContact O-N 3.08Å; M1309-K1311 VanDerWaalsContact C-N 3.28Å; M1309-K1311 PolarHBondContact O-N 2.95Å; K1311-R1313 PolarHBondContact O-N 3.46Å; K1311-F1314 WeakPolarHBondContact O-CB 2.97Å; K1311-F1314 WeakPolarHBondContact O-CG 3.2Å; K1311-F1314 PolarHBondContact O-N 3.43Å
1312	S	88.1	Confident	90	Very high	82 Å²	82	61.9 Å²	61.9	57%	0.573	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.4	-23.8	174.8	69.4	0	0	0	0	113	M1309 H1310 F1314	M1309-S1312 PolarHBondContact O-N 2.89Å; M1309-S1312 PolarHBondContact O-OG 3.07Å; H1310-S1312 PolarHBondContact O-N 3.14Å; S1312-F1314 VanDerWaalsContact C-N 3.26Å; S1312-F1314 PolarHBondContact O-N 3.24Å
1313	R	92.5	Very high	89.8	Confident	69 Å²	69	66.7 Å²	66.7	26%	0.26	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-76.2	-9.5	-178.7	-58.9	-177.9	-178	167.9	4.3	113.7	L1277 M1301 V1302 H1310 K1311 N1315 E1316 L1321	L1277-R1313 HydrophobicContact CD2-CB 3.84Å; M1301-R1313 PolarHBondContact O-NH1 3.21Å; V1302-R1313 PolarHBondContact O-NH1 3.13Å; H1310-R1313 PolarHBondContact NE2-NH1 3.38Å; H1310-R1313 PolarHBondContact NE2-NH2 3.36Å; H1310-R1313 WeakPolarHBondContact O-CB 3.23Å; H1310-R1313 PolarHBondContact O-N 2.85Å; K1311-R1313 PolarHBondContact O-N 3.46Å; R1313-N1315 PolarHBondContact O-N 2.8Å; R1313-N1315 VanDerWaalsContact O-N 3.13Å; R1313-E1316 WeakPolarHBondContact O-CB 3.23Å; R1313-E1316 PolarHBondContact O-N 3.12Å; R1313-L1321 HydrophobicContact CB-CD1 4.31Å
1314	F	91.3	Very high	89.6	Confident	57 Å²	57	71.7 Å²	71.7	25%	0.25	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-55.8	-31.8	-176.7	-83	-2.5	0	0	0	114.6	L1277 T1278 I1281 Y1303 K1311 S1312	L1277-F1314 HydrophobicContact CD2-CD1 4.06Å; L1277-F1314 HydrophobicContact CG-CD1 4.42Å; T1278-F1314 WeakPolarHBondContact CB-O 3.28Å; T1278-F1314 HydrophobicContact CG2-CB 3.51Å; T1278-F1314 HydrophobicContact CG2-CD1 4.29Å; T1278-F1314 HydrophobicContact CG2-CD2 4.21Å; T1278-F1314 HydrophobicContact CG2-CG 3.78Å; T1278-F1314 VanDerWaalsContact CG2-O 3.26Å; T1278-F1314 WeakPolarHBondContact CG2-O 3.49Å; T1278-F1314 PolarHBondContact N-O 3.15Å; T1278-F1314 PolarHBondContact OG1-O 3.47Å; I1281-F1314 HydrophobicContact CD1-CD1 4.45Å; I1281-F1314 HydrophobicContact CD1-CE1 3.85Å; Y1303-F1314 AromaticContact CD2-CE1 3.96Å; Y1303-F1314 HydrophobicContact CD2-CE1 3.96Å; Y1303-F1314 HydrophobicContact CE2-CD1 4.28Å; Y1303-F1314 AromaticContact CE2-CE1 3.29Å; Y1303-F1314 HydrophobicContact CE2-CE1 3.29Å; Y1303-F1314 AromaticContact CE2-CZ 3.85Å; Y1303-F1314 HydrophobicContact CE2-CZ 3.85Å; Y1303-F1314 AromaticContact CZ-CE1 3.74Å; K1311-F1314 WeakPolarHBondContact O-CB 2.97Å; K1311-F1314 WeakPolarHBondContact O-CG 3.2Å; K1311-F1314 PolarHBondContact O-N 3.43Å; S1312-F1314 VanDerWaalsContact C-N 3.26Å; S1312-F1314 PolarHBondContact O-N 3.24Å
1315	N	91.7	Very high	89	Confident	108 Å²	108	71.8 Å²	71.8	58%	0.578	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-94.8	-4.3	177.9	-71.5	-44	0	0	0	113.9	R1276 R1313	R1276-N1315 PolarHBondContact NH1-OD1 2.81Å; R1313-N1315 PolarHBondContact O-N 2.8Å; R1313-N1315 VanDerWaalsContact O-N 3.13Å
1316	E	93.9	Very high	88.6	Confident	85 Å²	85	74.6 Å²	74.6	40%	0.397	38%	0.384	S	S	.	.	S	Bend	trans	-73.5	145.6	176.7	-64.6	-177.1	-142.3	0	0	110.4	R1276 L1277 R1313 F1318 L1321	R1276-E1316 VanDerWaalsContact CA-O 3.3Å; R1276-E1316 WeakPolarHBondContact CA-O 3.21Å; L1277-E1316 PolarHBondContact N-O 3.19Å; L1277-E1316 VanDerWaalsContact N-O 3.09Å; R1313-E1316 WeakPolarHBondContact O-CB 3.23Å; R1313-E1316 PolarHBondContact O-N 3.12Å; E1316-F1318 PolarHBondContact O-N 3.01Å; E1316-L1321 HydrophobicContact CB-CD1 4.45Å; E1316-L1321 HydrophobicContact CB-CD2 4.3Å; E1316-L1321 HydrophobicContact CB-CG 4.45Å; E1316-L1321 WeakPolarHBondContact OE2-CD2 3.49Å
1317	I	94	Very high	88.2	Confident	51 Å²	51	77.1 Å²	77.1	26%	0.262	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-65.6	126.1	175.1	-58.2	164.7	0	0	0	107.5	I1272 D1273 I1319 N1320	I1272-I1317 WeakPolarHBondContact O-CG2 3.49Å; D1273-I1317 WeakPolarHBondContact O-CD1 3.46Å; I1317-I1319 VanDerWaalsContact C-N 3.34Å; I1317-I1319 HydrophobicContact CG2-CG2 3.96Å; I1317-I1319 PolarHBondContact O-N 3.48Å; I1317-N1320 WeakPolarHBondContact O-CB 3.5Å; I1317-N1320 PolarHBondContact O-N 3.37Å; I1317-N1320 VanDerWaalsContact O-N 3.09Å
1318	F	94.4	Very high	87.9	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-60.1	-42	-168.5	-173.7	-126.2	0	0	0	112.5	Y1275 L1277 F1280 V1302 E1316 N1320 L1321 L1322 L1333 F1367	Y1275-F1318 HydrophobicContact CD1-CB 4.07Å; Y1275-F1318 HydrophobicContact CD1-CD1 4.3Å; Y1275-F1318 HydrophobicContact CE1-CD1 4.29Å; Y1275-F1318 WeakPolarHBondContact O-CB 3.3Å; Y1275-F1318 PolarHBondContact O-N 3.24Å; L1277-F1318 HydrophobicContact CB-CD2 4.29Å; L1277-F1318 HydrophobicContact CD1-CD2 3.73Å; L1277-F1318 HydrophobicContact CD1-CE2 3.67Å; F1280-F1318 HydrophobicContact CB-CD1 4.31Å; F1280-F1318 HydrophobicContact CB-CD2 4.36Å; F1280-F1318 HydrophobicContact CB-CE1 4.26Å; F1280-F1318 HydrophobicContact CB-CE2 4.32Å; F1280-F1318 HydrophobicContact CB-CG 4.36Å; F1280-F1318 HydrophobicContact CB-CZ 4.26Å; F1280-F1318 HydrophobicContact CD1-CE1 4.41Å; F1280-F1318 HydrophobicContact CD1-CE2 4.22Å; F1280-F1318 AromaticContact CD1-CZ 3.86Å; F1280-F1318 HydrophobicContact CD1-CZ 3.86Å; F1280-F1318 HydrophobicContact CD2-CD1 4.11Å; F1280-F1318 AromaticContact CD2-CE1 3.46Å; F1280-F1318 HydrophobicContact CD2-CE1 3.46Å; F1280-F1318 VanDerWaalsContact CD2-CE1 3.46Å; F1280-F1318 AromaticContact CD2-CZ 3.75Å; F1280-F1318 HydrophobicContact CD2-CZ 3.75Å; F1280-F1318 HydrophobicContact CE1-CZ 4.1Å; F1280-F1318 AromaticContact CE2-CE1 3.82Å; F1280-F1318 HydrophobicContact CE2-CE1 3.82Å; F1280-F1318 AromaticContact CE2-CZ 3.99Å; F1280-F1318 HydrophobicContact CE2-CZ 3.99Å; F1280-F1318 HydrophobicContact CG-CD1 4.32Å; F1280-F1318 AromaticContact CG-CE1 3.79Å; F1280-F1318 HydrophobicContact CG-CE1 3.79Å; F1280-F1318 HydrophobicContact CG-CE2 4.14Å; F1280-F1318 AromaticContact CG-CZ 3.68Å; F1280-F1318 HydrophobicContact CG-CZ 3.68Å; F1280-F1318 HydrophobicContact CZ-CE1 4.43Å; F1280-F1318 HydrophobicContact CZ-CZ 4.15Å; V1302-F1318 HydrophobicContact CG1-CE2 4.03Å; E1316-F1318 PolarHBondContact O-N 3.01Å; F1318-N1320 PolarHBondContact O-N 3.35Å; F1318-L1321 WeakPolarHBondContact O-CB 3.35Å; F1318-L1321 PolarHBondContact O-N 3.12Å; F1318-L1322 HydrophobicContact CD1-CD1 4.11Å; F1318-L1322 HydrophobicContact CE1-CD1 3.85Å; F1318-L1322 HydrophobicContact CZ-CD1 4.22Å; F1318-L1322 HydrophobicContact CZ-CD2 4.45Å; F1318-L1333 HydrophobicContact CE1-CD1 3.81Å; F1318-L1333 HydrophobicContact CZ-CD1 3.59Å; F1318-F1367 HydrophobicContact CD1-CD1 4.29Å; F1318-F1367 HydrophobicContact CD1-CD2 4.39Å; F1318-F1367 AromaticContact CD1-CE1 3.85Å; F1318-F1367 HydrophobicContact CD1-CE1 3.85Å; F1318-F1367 AromaticContact CD1-CE2 3.98Å; F1318-F1367 HydrophobicContact CD1-CE2 3.98Å; F1318-F1367 AromaticContact CD1-CZ 3.68Å; F1318-F1367 HydrophobicContact CD1-CZ 3.68Å; F1318-F1367 HydrophobicContact CE1-CD1 4.18Å; F1318-F1367 HydrophobicContact CE1-CD2 4.09Å; F1318-F1367 HydrophobicContact CE1-CE1 4.21Å; F1318-F1367 HydrophobicContact CE1-CE2 4.13Å; F1318-F1367 HydrophobicContact CE1-CG 4.11Å; F1318-F1367 HydrophobicContact CE1-CZ 4.18Å
1319	I	92.5	Very high	88.1	Confident	13 Å²	13	73.3 Å²	73.3	7%	0.067	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62	-29.2	-179.9	-157.6	180	0	0	0	112.7	I1272 I1317 L1321 L1322 Y1324 L1369	I1272-I1319 HydrophobicContact CD1-CD1 3.81Å; I1272-I1319 HydrophobicContact CD1-CG1 4.49Å; I1272-I1319 HydrophobicContact CG1-CB 4.21Å; I1272-I1319 HydrophobicContact CG1-CD1 4.02Å; I1317-I1319 VanDerWaalsContact C-N 3.34Å; I1317-I1319 HydrophobicContact CG2-CG2 3.96Å; I1317-I1319 PolarHBondContact O-N 3.48Å; I1319-L1321 PolarHBondContact O-N 2.7Å; I1319-L1322 PolarHBondContact O-N 3.32Å; I1319-L1322 VanDerWaalsContact O-N 3.13Å; I1319-Y1324 HydrophobicContact CD1-CD1 4.13Å; I1319-Y1324 HydrophobicContact CD1-CD2 4.08Å; I1319-Y1324 HydrophobicContact CD1-CE1 3.75Å; I1319-Y1324 HydrophobicContact CD1-CE2 3.69Å; I1319-Y1324 HydrophobicContact CD1-CG 4.29Å; I1319-Y1324 HydrophobicContact CG1-CD1 3.78Å; I1319-Y1324 HydrophobicContact CG1-CE1 3.58Å; I1319-Y1324 HydrophobicContact CG1-CE2 4.4Å; I1319-Y1324 HydrophobicContact CG1-CG 4.29Å; I1319-L1369 HydrophobicContact CD1-CD2 3.77Å; I1319-L1369 HydrophobicContact CG1-CD2 4.14Å
1320	N	92.8	Very high	88.2	Confident	101 Å²	101	68 Å²	68	54%	0.54	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-71.1	-16.8	177.3	-64.5	-9.8	0	0	0	112.5	I1317 F1318 L1322	I1317-N1320 WeakPolarHBondContact O-CB 3.5Å; I1317-N1320 PolarHBondContact O-N 3.37Å; I1317-N1320 VanDerWaalsContact O-N 3.09Å; F1318-N1320 PolarHBondContact O-N 3.35Å; N1320-L1322 VanDerWaalsContact C-N 3.35Å
1321	L	92.7	Very high	88.3	Confident	9 Å²	9	67.6 Å²	67.6	5%	0.047	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-86.6	-8.7	175.2	-58.4	176.9	0	0	0	112.7	L1277 R1300 V1302 R1313 E1316 F1318 I1319	L1277-L1321 HydrophobicContact CB-CD1 4.04Å; L1277-L1321 HydrophobicContact CD2-CD1 4.03Å; L1277-L1321 HydrophobicContact CG-CD1 4.43Å; R1300-L1321 PolarHBondContact NE-O 3.04Å; R1300-L1321 PolarHBondContact NH2-O 2.69Å; R1300-L1321 VanDerWaalsContact NH2-O 3.12Å; V1302-L1321 HydrophobicContact CG1-CB 3.94Å; V1302-L1321 HydrophobicContact CG1-CD1 4.35Å; R1313-L1321 HydrophobicContact CB-CD1 4.31Å; E1316-L1321 HydrophobicContact CB-CD1 4.45Å; E1316-L1321 HydrophobicContact CB-CD2 4.3Å; E1316-L1321 HydrophobicContact CB-CG 4.45Å; E1316-L1321 WeakPolarHBondContact OE2-CD2 3.49Å; F1318-L1321 WeakPolarHBondContact O-CB 3.35Å; F1318-L1321 PolarHBondContact O-N 3.12Å; I1319-L1321 PolarHBondContact O-N 2.7Å
1322	L	92.9	Very high	88.7	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.042	34%	0.344	C	S	.	.	S	Bend	trans	-108.4	155.7	-174.6	-55.1	179.6	0	0	0	111.1	V1302 F1318 I1319 N1320 I1331 L1333 F1367	V1302-L1322 HydrophobicContact CB-CD2 4.47Å; V1302-L1322 HydrophobicContact CG1-CD2 4.01Å; V1302-L1322 HydrophobicContact CG2-CD2 3.6Å; F1318-L1322 HydrophobicContact CD1-CD1 4.11Å; F1318-L1322 HydrophobicContact CE1-CD1 3.85Å; F1318-L1322 HydrophobicContact CZ-CD1 4.22Å; F1318-L1322 HydrophobicContact CZ-CD2 4.45Å; I1319-L1322 PolarHBondContact O-N 3.32Å; I1319-L1322 VanDerWaalsContact O-N 3.13Å; N1320-L1322 VanDerWaalsContact C-N 3.35Å; L1322-I1331 HydrophobicContact CB-CD1 3.91Å; L1322-I1331 HydrophobicContact CD1-CD1 3.67Å; L1322-I1331 HydrophobicContact CD1-CG2 4.43Å; L1322-I1331 HydrophobicContact CG-CD1 4.44Å; L1322-L1333 HydrophobicContact CD1-CD2 4.37Å; L1322-L1333 HydrophobicContact CD2-CD2 3.77Å; L1322-F1367 HydrophobicContact CD1-CD1 4.33Å
1323	N	89.9	Confident	89	Confident	102 Å²	102	60.7 Å²	60.7	55%	0.545	32%	0.317	S	S	.	.			trans	-88.3	123.5	165.5	-75.7	-13.7	0	0	0	108.9	Q1297 R1300	Q1297-N1323 PolarHBondContact NE2-O 3.02Å; R1300-N1323 PolarHBondContact NH1-OD1 2.95Å
1324	Y	88.6	Confident	89	Confident	110 Å²	110	60.7 Å²	60.7	43%	0.431	32%	0.321	S	S	.	.			trans	-149.8	157	175.5	75.9	-76.6	0	0	0	111.1	I1319 I1331 L1369	I1319-Y1324 HydrophobicContact CD1-CD1 4.13Å; I1319-Y1324 HydrophobicContact CD1-CD2 4.08Å; I1319-Y1324 HydrophobicContact CD1-CE1 3.75Å; I1319-Y1324 HydrophobicContact CD1-CE2 3.69Å; I1319-Y1324 HydrophobicContact CD1-CG 4.29Å; I1319-Y1324 HydrophobicContact CG1-CD1 3.78Å; I1319-Y1324 HydrophobicContact CG1-CE1 3.58Å; I1319-Y1324 HydrophobicContact CG1-CE2 4.4Å; I1319-Y1324 HydrophobicContact CG1-CG 4.29Å; Y1324-I1331 HydrophobicContact CG-CD1 4.49Å; Y1324-L1369 HydrophobicContact CD2-CD1 4.23Å
1325	S	80.7	Confident	89.1	Confident	41 Å²	41	58 Å²	58	29%	0.287	31%	0.309	S	S	.	.			trans	-102.7	148.5	168.6	176	0	0	0	0	109.3	M1327 D1328	S1325-M1327 PolarHBondContact O-N 2.67Å; S1325-M1327 PolarHBondContact OG-N 2.91Å; S1325-D1328 WeakPolarHBondContact CB-OD2 3.43Å; S1325-D1328 PolarHBondContact N-OD2 3.32Å; S1325-D1328 WeakPolarHBondContact O-CB 3.45Å; S1325-D1328 PolarHBondContact O-N 3.42Å
1326	P	78.8	Confident	89.1	Confident	123 Å²	123	53.4 Å²	53.4	80%	0.799	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-16	172.4	-24.6	33.9	0	0	0	115
1327	M	76.2	Confident	89	Confident	172 Å²	172	49.3 Å²	49.3	85%	0.847	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-9	177.2	-61.3	-64.1	-177.5	0	0	113.5	S1325	S1325-M1327 PolarHBondContact O-N 2.67Å; S1325-M1327 PolarHBondContact OG-N 2.91Å
1328	D	80.1	Confident	88.7	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	27%	0.27	C	S	.	.			trans	-76.5	131.3	-178.3	-61.8	-24.7	0	0	0	109.2	K651 S1325 L1369	K651-D1328 IonicContact NZ-OD1 3.43Å; K651-D1328 PolarHBondContact NZ-OD1 3.38Å; K651-D1328 IonicContact NZ-OD2 3.8Å; S1325-D1328 WeakPolarHBondContact CB-OD2 3.43Å; S1325-D1328 PolarHBondContact N-OD2 3.32Å; S1325-D1328 WeakPolarHBondContact O-CB 3.45Å; S1325-D1328 PolarHBondContact O-N 3.42Å; D1328-L1369 HydrophobicContact CB-CD1 3.92Å; D1328-L1369 WeakPolarHBondContact O-CD1 3.25Å
1329	S	83.2	Confident	87.9	Confident	81 Å²	81	51.1 Å²	51.1	57%	0.566	28%	0.277	S	S	*	.	S	Bend	trans	-90	-13.7	177.1	61	0	0	0	0	113.2	L1369	S1329-L1369 PolarHBondContact O-N 2.85Å
1330	H	88.1	Confident	86.6	Confident	40 Å²	40	55.9 Å²	55.9	19%	0.185	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	165.4	-178.8	61.1	-81.8	0	0	0	110.5	D656 D1332 R1366 F1367	D656-H1330 IonicContact OD2-CE1 3.67Å; H1330-D1332 IonicContact CD2-OD1 3.71Å; H1330-R1366 HydrophobicContact CB-CG 3.71Å; H1330-R1366 VanDerWaalsContact CD2-CZ 3.45Å; H1330-R1366 PolarHBondContact CD2-NE 3.47Å; H1330-R1366 PolarHBondContact NE2-NE 3Å; H1330-R1366 PolarHBondContact NE2-NH2 2.68Å; H1330-F1367 CarbonylContact C-O 3.49Å; H1330-F1367 WeakPolarHBondContact CA-O 3.26Å; H1330-F1367 WeakPolarHBondContact CB-O 3.41Å
1331	I	90.3	Very high	84.7	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.8	173	-58.2	173.7	0	0	0	108.4	Q1297 L1322 Y1324 L1333 F1367 L1369	Q1297-I1331 HydrophobicContact CG-CG2 4.17Å; Q1297-I1331 VanDerWaalsContact NE2-CG2 3.28Å; L1322-I1331 HydrophobicContact CB-CD1 3.91Å; L1322-I1331 HydrophobicContact CD1-CD1 3.67Å; L1322-I1331 HydrophobicContact CD1-CG2 4.43Å; L1322-I1331 HydrophobicContact CG-CD1 4.44Å; Y1324-I1331 HydrophobicContact CG-CD1 4.49Å; I1331-L1333 HydrophobicContact CG2-CD2 3.87Å; I1331-L1333 HydrophobicContact CG2-CG 4.3Å; I1331-F1367 PolarHBondContact N-O 3.33Å; I1331-F1367 PolarHBondContact O-N 3.36Å; I1331-L1369 HydrophobicContact CD1-CD1 4.07Å; I1331-L1369 HydrophobicContact CD1-CD2 3.75Å; I1331-L1369 HydrophobicContact CD1-CG 4.26Å; I1331-L1369 HydrophobicContact CG1-CD1 3.85Å; I1331-L1369 HydrophobicContact CG1-CD2 4.07Å; I1331-L1369 HydrophobicContact CG1-CG 4.06Å
1332	D	90	Very high	82.5	Confident	51 Å²	51	65.2 Å²	65.2	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.5	172.6	-72.6	-13.4	0	0	0	110	R1263 H1330 T1364 I1365 R1366	R1263-D1332 IonicContact CZ-OD2 3.64Å; R1263-D1332 IonicContact NE-OD2 3.64Å; R1263-D1332 IonicContact NH2-OD2 3.95Å; R1263-D1332 PolarHBondContact NH2-OD2 2.94Å; H1330-D1332 IonicContact CD2-OD1 3.71Å; D1332-T1364 HydrophobicContact CB-CG2 3.75Å; D1332-I1365 CarbonylContact C-O 3.59Å; D1332-I1365 WeakPolarHBondContact CA-O 3.38Å; D1332-R1366 WeakPolarHBondContact OD1-CA 3.49Å; D1332-R1366 VanDerWaalsContact OD1-CB 3.31Å; D1332-R1366 WeakPolarHBondContact OD1-CB 3.31Å; D1332-R1366 WeakPolarHBondContact OD1-CG 3.34Å; D1332-R1366 IonicContact OD1-CZ 2.68Å; D1332-R1366 IonicContact OD1-NE 2.92Å; D1332-R1366 PolarHBondContact OD1-NE 2.95Å; D1332-R1366 IonicContact OD1-NH2 3.48Å; D1332-R1366 IonicContact OD2-CZ 3.05Å; D1332-R1366 IonicContact OD2-NE 2.66Å; D1332-R1366 IonicContact OD2-NH2 3.69Å; D1332-R1366 PolarHBondContact OD2-NH2 2.67Å
1333	L	94	Very high	80.1	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.1	-176.4	-59.8	174.1	0	0	0	109.7	F1280 Q1297 F1318 L1322 I1331 I1365 F1367	F1280-L1333 HydrophobicContact CE2-CD1 4.1Å; F1280-L1333 HydrophobicContact CZ-CD1 3.91Å; Q1297-L1333 HydrophobicContact CB-CD2 3.91Å; Q1297-L1333 HydrophobicContact CG-CD2 4.17Å; F1318-L1333 HydrophobicContact CE1-CD1 3.81Å; F1318-L1333 HydrophobicContact CZ-CD1 3.59Å; L1322-L1333 HydrophobicContact CD1-CD2 4.37Å; L1322-L1333 HydrophobicContact CD2-CD2 3.77Å; I1331-L1333 HydrophobicContact CG2-CD2 3.87Å; I1331-L1333 HydrophobicContact CG2-CG 4.3Å; L1333-I1365 PolarHBondContact N-O 3.45Å; L1333-I1365 PolarHBondContact O-N 2.92Å; L1333-F1367 HydrophobicContact CD1-CB 4.05Å
1334	M	92.6	Very high	77.5	Confident	70 Å²	70	77.2 Å²	77.2	35%	0.345	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.1	169.2	-60.6	178.2	68.9	0	0	109.1	I1295 T1296 Q1361	I1295-M1334 WeakPolarHBondContact CA-O 3.04Å; T1296-M1334 PolarHBondContact N-O 3.42Å; T1296-M1334 PolarHBondContact O-N 2.92Å; M1334-Q1361 VanDerWaalsContact CE-CD 3.4Å; M1334-Q1361 HydrophobicContact CE-CG 4.31Å
1335	V	93.3	Very high	74.7	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.006	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.1	-178.5	-174.8	0	0	0	0	109.5	F1280 V1292 L1294 I1295 Y1337 G1362 I1365	F1280-V1335 HydrophobicContact CE1-CG2 4.29Å; F1280-V1335 HydrophobicContact CZ-CG2 4.38Å; V1292-V1335 HydrophobicContact CB-CG1 4.34Å; V1292-V1335 HydrophobicContact CG1-CG1 3.72Å; V1292-V1335 HydrophobicContact CG2-CG1 3.92Å; L1294-V1335 CarbonylContact O-C 3.28Å; L1294-V1335 VanDerWaalsContact O-CA 3.27Å; L1294-V1335 WeakPolarHBondContact O-CA 3.46Å; L1294-V1335 WeakPolarHBondContact O-CG1 3.43Å; I1295-V1335 HydrophobicContact CG1-CG1 4.39Å; I1295-V1335 HydrophobicContact CG1-CG2 4.31Å; I1295-V1335 HydrophobicContact CG2-CG2 4.38Å; V1335-Y1337 HydrophobicContact CB-CE2 4.41Å; V1335-Y1337 HydrophobicContact CG1-CD1 4.35Å; V1335-Y1337 HydrophobicContact CG1-CE1 3.74Å; V1335-Y1337 HydrophobicContact CG1-CE2 4.29Å; V1335-Y1337 WeakPolarHBondContact O-CE2 3.42Å; V1335-G1362 PolarHBondContact O-N 3.02Å; V1335-I1365 HydrophobicContact CB-CD1 3.76Å; V1335-I1365 HydrophobicContact CG1-CD1 4.41Å; V1335-I1365 HydrophobicContact CG2-CB 4.46Å; V1335-I1365 HydrophobicContact CG2-CD1 3.42Å; V1335-I1365 VanDerWaalsContact CG2-CD1 3.42Å; V1335-I1365 HydrophobicContact CG2-CG1 4.44Å
1336	A	92.7	Very high	72.4	Confident	10 Å²	10	83.6 Å²	83.6	8%	0.083	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152	171.5	0	0	0	0	0	110.7	S1293 L1294 C1359 I1360	S1293-A1336 PolarHBondContact N-O 2.81Å; L1294-A1336 HydrophobicContact CB-CB 4.03Å; L1294-A1336 PolarHBondContact N-O 3.18Å; L1294-A1336 PolarHBondContact O-N 3.38Å; A1336-C1359 HydrophobicContact CB-CB 4.08Å; A1336-I1360 CarbonylContact C-O 3.54Å; A1336-I1360 WeakPolarHBondContact CA-O 3.26Å
1337	Y	92.2	Very high	70.3	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.7	-170.7	-53	-80.5	0	0	0	111.1	L1252 I1284 L1290 V1291 V1292 V1335 C1359 I1360 I1365	L1252-Y1337 HydrophobicContact CD2-CD2 4.21Å; I1284-Y1337 HydrophobicContact CG2-CE1 3.74Å; L1290-Y1337 HydrophobicContact CB-CD1 3.41Å; L1290-Y1337 VanDerWaalsContact CB-CD1 3.41Å; L1290-Y1337 HydrophobicContact CB-CE1 3.67Å; L1290-Y1337 HydrophobicContact CB-CG 4.09Å; L1290-Y1337 HydrophobicContact CD1-CD1 3.95Å; L1290-Y1337 HydrophobicContact CD1-CD2 4.21Å; L1290-Y1337 HydrophobicContact CD1-CE1 3.8Å; L1290-Y1337 HydrophobicContact CD1-CE2 4.15Å; L1290-Y1337 HydrophobicContact CD1-CG 4.1Å; L1290-Y1337 HydrophobicContact CG-CD1 4.21Å; L1290-Y1337 HydrophobicContact CG-CE1 4.38Å; L1290-Y1337 HydrophobicContact CG-CG 4.49Å; V1291-Y1337 WeakPolarHBondContact O-CA 3.28Å; V1292-Y1337 HydrophobicContact CG2-CD1 4.49Å; V1292-Y1337 HydrophobicContact CG2-CE1 4.25Å; V1335-Y1337 HydrophobicContact CB-CE2 4.41Å; V1335-Y1337 HydrophobicContact CG1-CD1 4.35Å; V1335-Y1337 HydrophobicContact CG1-CE1 3.74Å; V1335-Y1337 HydrophobicContact CG1-CE2 4.29Å; V1335-Y1337 WeakPolarHBondContact O-CE2 3.42Å; Y1337-C1359 CarbonylContact O-C 3.52Å; Y1337-C1359 VanDerWaalsContact O-CA 3.3Å; Y1337-C1359 WeakPolarHBondContact O-CA 3.45Å; Y1337-I1360 PolarHBondContact N-O 3.47Å; Y1337-I1360 PolarHBondContact O-N 3.47Å; Y1337-I1365 VanDerWaalsContact OH-CD1 3.29Å; Y1337-I1365 WeakPolarHBondContact OH-CD1 3.15Å
1338	E	87	Confident	68.3	Low	68 Å²	68	87 Å²	87	32%	0.318	44%	0.442	S	S	.	.			trans	-68.1	137.7	174.7	-64.5	179.5	175	0	0	111.1	P1253 V1291 H1305	P1253-E1338 WeakPolarHBondContact CG-O 3.4Å; V1291-E1338 HydrophobicContact CB-CB 4.48Å; V1291-E1338 HydrophobicContact CB-CG 4.43Å; V1291-E1338 HydrophobicContact CG1-CG 4.22Å; V1291-E1338 PolarHBondContact O-N 2.83Å; V1291-E1338 VanDerWaalsContact O-N 3.1Å; H1305-E1338 IonicContact CD2-OE1 3.84Å; H1305-E1338 IonicContact NE2-OE1 2.75Å
1339	S	76.9	Confident	66.1	Low	21 Å²	21	90 Å²	90	15%	0.147	47%	0.466	C	S	.	.			trans	-83.6	153.1	178.1	56	0	0	0	0	112.5	H1341 G1358	S1339-H1341 PolarHBondContact O-N 3.34Å; S1339-H1341 VanDerWaalsContact O-N 3.12Å; S1339-G1358 WeakPolarHBondContact CB-O 3.45Å; S1339-G1358 PolarHBondContact OG-O 3.35Å
1340	D	65.4	Low	63.5	Low	113 Å²	113	95.8 Å²	95.8	60%	0.604	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-64.9	-15	-178.8	-74.9	-36.9	0	0	0	113.9	M1342 K1343	D1340-M1342 PolarHBondContact O-N 3Å; D1340-M1342 VanDerWaalsContact O-N 3.11Å; D1340-K1343 PolarHBondContact O-N 3.18Å
1341	H	54.1	Low	60.7	Low	155 Å²	155	97.4 Å²	97.4	72%	0.718	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-70.3	-6.5	-172.7	-76	-65	0	0	0	115.4	S1339 K1343	S1339-H1341 PolarHBondContact O-N 3.34Å; S1339-H1341 VanDerWaalsContact O-N 3.12Å; H1341-K1343 PolarHBondContact O-N 2.99Å; H1341-K1343 VanDerWaalsContact O-N 3.17Å
1342	M	44.8	Very low	57.9	Low	151 Å²	151	104.7 Å²	104.7	74%	0.744	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-71.4	-2.6	173.4	-77.7	-147.1	168.4	0	0	114.8	D1340	D1340-M1342 PolarHBondContact O-N 3Å; D1340-M1342 VanDerWaalsContact O-N 3.11Å
1343	K	43.8	Very low	55	Low	187 Å²	187	110 Å²	110	81%	0.813	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-106.6	-1.3	-175.8	-76	-174.6	-180	172.4	0	117.4	D1340 H1341	D1340-K1343 PolarHBondContact O-N 3.18Å; H1341-K1343 PolarHBondContact O-N 2.99Å; H1341-K1343 VanDerWaalsContact O-N 3.17Å
1344	M	33.7	Very low	52.1	Low	175 Å²	175	117.6 Å²	117.6	86%	0.862	62%	0.619	S	S	*	*			trans	-104.3	100.5	178.8	-70	-65.3	-175.3	0	0	111.7
1345	N	31	Very low	49.3	Very low	142 Å²	142	122 Å²	122	76%	0.759	64%	0.644	S	S	*	*			trans	-72.9	135.6	173.4	-79.8	-43	0	0	0	112
1346	N	31.8	Very low	46.7	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	68%	0.684	S	S	*	*			trans	61.1	57.4	138.5	-62.4	-15.5	0	0	0	120.8
1347	D	35	Very low	44.5	Very low	163 Å²	163	132.1 Å²	132.1	87%	0.872	71%	0.714	S	S	*	*			trans	-131.9	116.4	152.8	-90.6	-35	0	0	0	111.4	S1349	D1347-S1349 PolarHBondContact O-N 3.43Å
1348	H	34	Very low	43.1	Very low	204 Å²	204	133.8 Å²	133.8	94%	0.944	73%	0.73	S	S	*	*			trans	-79.2	104.7	177.3	-73.5	-64.2	0	0	0	110.6
1349	S	33.6	Very low	42.6	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	74%	0.735	S	S	*	*			trans	-154.6	119.6	157.7	59.9	0	0	0	0	112	D1347	D1347-S1349 PolarHBondContact O-N 3.43Å
1350	H	30	Very low	43	Very low	203 Å²	203	134.7 Å²	134.7	94%	0.94	74%	0.74	S	S	*	*			trans	-6.7	123.5	167.4	-63.2	-71.7	0	0	0	119.1
1351	G	28.9	Very low	44	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	73%	0.734	S	S	*	*			trans	179.7	110.2	160.3	0	0	0	0	0	111.4
1352	N	30.8	Very low	45.5	Very low	162 Å²	162	127.1 Å²	127.1	87%	0.866	70%	0.701	S	S	*	*			trans	20.5	114.2	165.4	-65.3	-16.9	0	0	0	119.3	D1354	N1352-D1354 PolarHBondContact O-N 3.03Å
1353	N	28.9	Very low	47.5	Very low	161 Å²	161	120 Å²	120	86%	0.861	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	120.8	163.1	-62.8	-35	0	0	0	110.6
1354	D	33.3	Very low	49.6	Very low	160 Å²	160	113.3 Å²	113.3	86%	0.856	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.9	-1.5	144.4	-87.2	-13.2	0	0	0	111.6	N1352 D1356	N1352-D1354 PolarHBondContact O-N 3.03Å; D1354-D1356 VanDerWaalsContact C-N 3.31Å; D1354-D1356 PolarHBondContact O-N 3.47Å
1355	D	34.6	Very low	52.4	Low	162 Å²	162	105 Å²	105	87%	0.866	60%	0.6	S	S	*	*			trans	-82.3	73.5	167.7	-79.7	-26	0	0	0	111.4	G1357	D1355-G1357 PolarHBondContact O-N 3.1Å
1356	D	39.2	Very low	55.2	Low	156 Å²	156	100 Å²	100	83%	0.834	57%	0.571	S	S	*	*			trans	-58.8	132.6	162.5	-107.3	-17.3	0	0	0	108.5	D1354 G1358	D1354-D1356 VanDerWaalsContact C-N 3.31Å; D1354-D1356 PolarHBondContact O-N 3.47Å; D1356-G1358 WeakPolarHBondContact O-CA 3.09Å; D1356-G1358 PolarHBondContact O-N 2.95Å
1357	G	46.4	Very low	58.1	Low	69 Å²	69	93.2 Å²	93.2	71%	0.711	54%	0.535	S	S	*	.	S	Bend	trans	-61.5	62.3	-175.9	0	0	0	0	0	114.7	D1355	D1355-G1357 PolarHBondContact O-N 3.1Å
1358	G	61.5	Low	60.7	Low	34 Å²	34	89 Å²	89	35%	0.351	51%	0.51	S	S	.	.			trans	-104.5	156.5	-151.6	0	0	0	0	0	113.9	S1339 D1356	S1339-G1358 WeakPolarHBondContact CB-O 3.45Å; S1339-G1358 PolarHBondContact OG-O 3.35Å; D1356-G1358 WeakPolarHBondContact O-CA 3.09Å; D1356-G1358 PolarHBondContact O-N 2.95Å
1359	C	77.4	Confident	63.2	Low	62 Å²	62	82.6 Å²	82.6	42%	0.419	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-69.3	141.9	172.9	-57.9	0	0	0	0	109.9	S1293 A1336 Y1337	S1293-C1359 VanDerWaalsContact CB-SG 3.59Å; S1293-C1359 PolarHBondContact OG-SG 3.4Å; A1336-C1359 HydrophobicContact CB-CB 4.08Å; Y1337-C1359 CarbonylContact O-C 3.52Å; Y1337-C1359 VanDerWaalsContact O-CA 3.3Å; Y1337-C1359 WeakPolarHBondContact O-CA 3.45Å
1360	I	84.9	Confident	64.7	Low	47 Å²	47	81.4 Å²	81.4	24%	0.241	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.9	175.1	-60.9	170.1	0	0	0	107.6	I1250 L1252 P1253 A1336 Y1337 G1362	I1250-I1360 HydrophobicContact CG2-CG2 4.07Å; L1252-I1360 HydrophobicContact CD2-CG2 4.17Å; P1253-I1360 HydrophobicContact CG-CD1 4.3Å; A1336-I1360 CarbonylContact C-O 3.54Å; A1336-I1360 WeakPolarHBondContact CA-O 3.26Å; Y1337-I1360 PolarHBondContact N-O 3.47Å; Y1337-I1360 PolarHBondContact O-N 3.47Å; I1360-G1362 PolarHBondContact O-N 2.99Å
1361	Q	86.9	Confident	66.5	Low	106 Å²	106	74.9 Å²	74.9	50%	0.495	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	131.5	168.8	-174.5	-173.9	-44	0	0	108.4	F1258 M1334	F1258-Q1361 VanDerWaalsContact CE1-O 3.31Å; F1258-Q1361 WeakPolarHBondContact CE1-O 3.41Å; F1258-Q1361 WeakPolarHBondContact CZ-O 3.17Å; M1334-Q1361 VanDerWaalsContact CE-CD 3.4Å; M1334-Q1361 HydrophobicContact CE-CG 4.31Å
1362	G	86.1	Confident	68.6	Low	2 Å²	2	75 Å²	75	2%	0.021	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-164.9	171	0	0	0	0	0	113.6	F1258 V1335 I1360	F1258-G1362 VanDerWaalsContact CE2-C 3.46Å; F1258-G1362 VanDerWaalsContact CZ-C 3.47Å; F1258-G1362 VanDerWaalsContact CZ-CA 3.42Å; V1335-G1362 PolarHBondContact O-N 3.02Å; I1360-G1362 PolarHBondContact O-N 2.99Å
1363	P	86.4	Confident	70.8	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.013	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	158.2	-175	24.9	-31.1	0	0	0	111.3	F1258 D1262 W1264 I1365	F1258-P1363 HydrophobicContact CB-CB 4.24Å; F1258-P1363 HydrophobicContact CB-CG 4.22Å; F1258-P1363 HydrophobicContact CD2-CB 3.7Å; F1258-P1363 HydrophobicContact CD2-CG 4.24Å; F1258-P1363 HydrophobicContact CE2-CB 4.38Å; F1258-P1363 HydrophobicContact CG-CB 4.09Å; F1258-P1363 HydrophobicContact CG-CG 4.17Å; D1262-P1363 HydrophobicContact CB-CB 4.16Å; D1262-P1363 WeakPolarHBondContact O-CB 3.3Å; W1264-P1363 HydrophobicContact CD2-CG 3.41Å; W1264-P1363 VanDerWaalsContact CD2-CG 3.41Å; W1264-P1363 HydrophobicContact CE3-CG 3.77Å; W1264-P1363 HydrophobicContact CG-CG 3.86Å; W1264-P1363 HydrophobicContact CH2-CG 4.07Å; W1264-P1363 HydrophobicContact CZ2-CG 3.72Å; W1264-P1363 HydrophobicContact CZ3-CG 4.08Å; P1363-I1365 PolarHBondContact O-N 3.26Å
1364	T	87.9	Confident	73.4	Confident	46 Å²	46	64.2 Å²	64.2	28%	0.282	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	130.6	171.9	-61.9	0	0	0	0	108.8	R1263 W1264 D1332	R1263-T1364 WeakPolarHBondContact CA-O 3.43Å; R1263-T1364 WeakPolarHBondContact CG-O 3.5Å; W1264-T1364 PolarHBondContact N-O 3Å; D1332-T1364 HydrophobicContact CB-CG2 3.75Å
1365	I	91.2	Very high	76.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.3	175.6	-76.6	157.9	0	0	0	109.4	W1264 I1266 F1280 I1284 D1332 L1333 V1335 Y1337 P1363 F1367	W1264-I1365 HydrophobicContact CB-CG1 4.08Å; W1264-I1365 CarbonylContact O-C 3.57Å; W1264-I1365 VanDerWaalsContact O-CA 3.28Å; W1264-I1365 WeakPolarHBondContact O-CA 3.45Å; I1266-I1365 HydrophobicContact CB-CG2 4.22Å; I1266-I1365 HydrophobicContact CD1-CD1 4.37Å; I1266-I1365 HydrophobicContact CD1-CG1 4.47Å; I1266-I1365 HydrophobicContact CD1-CG2 3.64Å; I1266-I1365 HydrophobicContact CG1-CG2 3.83Å; F1280-I1365 HydrophobicContact CE2-CG2 4.1Å; F1280-I1365 HydrophobicContact CZ-CG2 3.93Å; I1284-I1365 HydrophobicContact CD1-CD1 3.33Å; I1284-I1365 HydrophobicContact CD1-CG1 4.42Å; D1332-I1365 CarbonylContact C-O 3.59Å; D1332-I1365 WeakPolarHBondContact CA-O 3.38Å; L1333-I1365 PolarHBondContact N-O 3.45Å; L1333-I1365 PolarHBondContact O-N 2.92Å; V1335-I1365 HydrophobicContact CB-CD1 3.76Å; V1335-I1365 HydrophobicContact CG1-CD1 4.41Å; V1335-I1365 HydrophobicContact CG2-CB 4.46Å; V1335-I1365 HydrophobicContact CG2-CD1 3.42Å; V1335-I1365 VanDerWaalsContact CG2-CD1 3.42Å; V1335-I1365 HydrophobicContact CG2-CG1 4.44Å; Y1337-I1365 VanDerWaalsContact OH-CD1 3.29Å; Y1337-I1365 WeakPolarHBondContact OH-CD1 3.15Å; P1363-I1365 PolarHBondContact O-N 3.26Å; I1365-F1367 PolarHBondContact O-N 2.96Å
1366	R	89.9	Confident	79.1	Confident	38 Å²	38	50.4 Å²	50.4	14%	0.143	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	102.3	171.2	-179.3	162.5	-70.8	-165.7	-15.1	109.5	R1263 W1264 I1265 I1266 H1330 D1332 Q1368	R1263-R1366 HydrophobicContact CG-CB 3.99Å; R1263-R1366 VanDerWaalsContact CZ-NH2 3.34Å; W1264-R1366 PolarHBondContact O-N 3.34Å; I1265-R1366 WeakPolarHBondContact CA-O 3.38Å; I1265-R1366 HydrophobicContact CG1-CB 4.37Å; I1266-R1366 PolarHBondContact N-O 3.37Å; H1330-R1366 HydrophobicContact CB-CG 3.71Å; H1330-R1366 VanDerWaalsContact CD2-CZ 3.45Å; H1330-R1366 PolarHBondContact CD2-NE 3.47Å; H1330-R1366 PolarHBondContact NE2-NE 3Å; H1330-R1366 PolarHBondContact NE2-NH2 2.68Å; D1332-R1366 WeakPolarHBondContact OD1-CA 3.49Å; D1332-R1366 VanDerWaalsContact OD1-CB 3.31Å; D1332-R1366 WeakPolarHBondContact OD1-CB 3.31Å; D1332-R1366 WeakPolarHBondContact OD1-CG 3.34Å; D1332-R1366 IonicContact OD1-CZ 2.68Å; D1332-R1366 IonicContact OD1-NE 2.92Å; D1332-R1366 PolarHBondContact OD1-NE 2.95Å; D1332-R1366 IonicContact OD1-NH2 3.48Å; D1332-R1366 IonicContact OD2-CZ 3.05Å; D1332-R1366 IonicContact OD2-NE 2.66Å; D1332-R1366 IonicContact OD2-NH2 3.69Å; D1332-R1366 PolarHBondContact OD2-NH2 2.67Å; R1366-Q1368 PolarHBondContact O-N 3.1Å
1367	F	92.9	Very high	82.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.8	173.9	-175.6	-111.9	0	0	0	109.4	I1266 P1268 I1272 Y1275 F1280 F1318 L1322 H1330 I1331 L1333 I1365 L1369	I1266-F1367 HydrophobicContact CB-CD2 4.44Å; I1266-F1367 HydrophobicContact CG2-CD2 4.16Å; I1266-F1367 HydrophobicContact CG2-CE2 4.49Å; P1268-F1367 HydrophobicContact CB-CE2 4.41Å; P1268-F1367 HydrophobicContact CB-CZ 4.4Å; P1268-F1367 HydrophobicContact CG-CE1 4.46Å; P1268-F1367 HydrophobicContact CG-CE2 3.7Å; P1268-F1367 HydrophobicContact CG-CZ 3.61Å; I1272-F1367 HydrophobicContact CD1-CE1 3.88Å; I1272-F1367 HydrophobicContact CD1-CZ 4.3Å; I1272-F1367 HydrophobicContact CG1-CE1 4.34Å; I1272-F1367 HydrophobicContact CG1-CZ 4.44Å; Y1275-F1367 AromaticContact CD1-CE2 3.91Å; Y1275-F1367 HydrophobicContact CD1-CE2 3.91Å; Y1275-F1367 AromaticContact CD1-CZ 3.76Å; Y1275-F1367 HydrophobicContact CD1-CZ 3.76Å; Y1275-F1367 AromaticContact CE1-CE2 3.51Å; Y1275-F1367 HydrophobicContact CE1-CE2 3.51Å; Y1275-F1367 AromaticContact CE1-CZ 3.87Å; Y1275-F1367 HydrophobicContact CE1-CZ 3.87Å; F1280-F1367 HydrophobicContact CD2-CD2 4.05Å; F1280-F1367 HydrophobicContact CD2-CE2 4.22Å; F1280-F1367 HydrophobicContact CE2-CD2 4.02Å; F1318-F1367 HydrophobicContact CD1-CD1 4.29Å; F1318-F1367 HydrophobicContact CD1-CD2 4.39Å; F1318-F1367 AromaticContact CD1-CE1 3.85Å; F1318-F1367 HydrophobicContact CD1-CE1 3.85Å; F1318-F1367 AromaticContact CD1-CE2 3.98Å; F1318-F1367 HydrophobicContact CD1-CE2 3.98Å; F1318-F1367 AromaticContact CD1-CZ 3.68Å; F1318-F1367 HydrophobicContact CD1-CZ 3.68Å; F1318-F1367 HydrophobicContact CE1-CD1 4.18Å; F1318-F1367 HydrophobicContact CE1-CD2 4.09Å; F1318-F1367 HydrophobicContact CE1-CE1 4.21Å; F1318-F1367 HydrophobicContact CE1-CE2 4.13Å; F1318-F1367 HydrophobicContact CE1-CG 4.11Å; F1318-F1367 HydrophobicContact CE1-CZ 4.18Å; L1322-F1367 HydrophobicContact CD1-CD1 4.33Å; H1330-F1367 CarbonylContact C-O 3.49Å; H1330-F1367 WeakPolarHBondContact CA-O 3.26Å; H1330-F1367 WeakPolarHBondContact CB-O 3.41Å; I1331-F1367 PolarHBondContact N-O 3.33Å; I1331-F1367 PolarHBondContact O-N 3.36Å; L1333-F1367 HydrophobicContact CD1-CB 4.05Å; I1365-F1367 PolarHBondContact O-N 2.96Å; F1367-L1369 HydrophobicContact CD1-CD2 4.03Å; F1367-L1369 HydrophobicContact CE1-CD2 4.07Å
1368	Q	89.3	Confident	85.1	Confident	75 Å²	75	40 Å²	40	35%	0.35	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.6	-178.3	-167.6	163.1	5.9	0	0	109.9	I1266 R1267 P1268 R1366	I1266-Q1368 PolarHBondContact O-N 3.48Å; R1267-Q1368 HydrophobicContact CG-CB 4.21Å; P1268-Q1368 WeakPolarHBondContact CD-O 3.4Å; P1268-Q1368 WeakPolarHBondContact CG-O 3.46Å; R1366-Q1368 PolarHBondContact O-N 3.1Å
1369	L	87	Confident	87.3	Confident	68 Å²	68	40.5 Å²	40.5	36%	0.356	21%	0.211	S	C	.	.			trans	-81.3	0	-177.1	-69.3	-178.2	0	0	0	113	I1272 I1319 Y1324 D1328 S1329 I1331 F1367	I1272-L1369 HydrophobicContact CD1-CB 4.24Å; I1272-L1369 HydrophobicContact CD1-CD2 3.53Å; I1272-L1369 WeakPolarHBondContact CD1-OXT 3.31Å; I1319-L1369 HydrophobicContact CD1-CD2 3.77Å; I1319-L1369 HydrophobicContact CG1-CD2 4.14Å; Y1324-L1369 HydrophobicContact CD2-CD1 4.23Å; D1328-L1369 HydrophobicContact CB-CD1 3.92Å; D1328-L1369 WeakPolarHBondContact O-CD1 3.25Å; S1329-L1369 PolarHBondContact O-N 2.85Å; I1331-L1369 HydrophobicContact CD1-CD1 4.07Å; I1331-L1369 HydrophobicContact CD1-CD2 3.75Å; I1331-L1369 HydrophobicContact CD1-CG 4.26Å; I1331-L1369 HydrophobicContact CG1-CD1 3.85Å; I1331-L1369 HydrophobicContact CG1-CD2 4.07Å; I1331-L1369 HydrophobicContact CG1-CG 4.06Å; F1367-L1369 HydrophobicContact CD1-CD2 4.03Å; F1367-L1369 HydrophobicContact CE1-CD2 4.07Å

Retrieved 1,369 of 1,369 residues in 1059.5 ms (Link to these results)

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