A0A5K4FAD9_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,080 aa.

						>A0A5K4FAD9_SCHMA|A0A5K4FAD9
MSPTDKVEMKKTKSKLADLAREIASWEDDLRRIPLHKEPEKPIRNSAAKYNRDSLADHHNLPVFARKARWERLMNDSSSRHTENAVVGETNKAPSLVQQSVAPKIQSGQGIREKVLNSVTCTKADVPRGSLSHAEREKLERMRELAELRRSRRPVFSSQSHDLEPEKVPSSFVSKQEDDFLLPPPPSPPNISAIENPLITSPQNTPCDNCQPVLTEVVMCDEATVPHPSPPKDMGLNEVDSSSSNTFISNTQSPNIHNVSSTNINQTNLEEIIQSTVSTTTTIAHPYYSRPKIGVKRRSSFSESSVDTFHQIIPRQKSVTFQRTASDITDESETDFNYNDDEDCPTSSEFSSQYEYLPEREKHGDKITRKMDSESSGDSELSDFLDTIIPSDELNNELSSLSSQDQSSNKENHSDHRYHQHPYFSKDDSDLLINNHISPVLPLSEAERRIRRLNDLPKLIQAERVVILQASAALQQCVSIPFRKSPEDFDRLRELGPGSRVHVEASRTMLIACQRRQVLMEELALLHRGSPVLVPPTRGDPIRARMKLSAIRLSLKTSNIPNDPTSGGGYVVVGTGREAGGWNVPTLKSRPDNQLGQPTCYHLIGVIKCRGEGRLYHSELVTLMHVSDLPVGMYRAAPYVDLPAKLEIVPVRPDFVFQLEIYCMRTGTDRPMNNCAYGSPRILGTSLVYGDDISNDNDSMTSFKTSHNKVLNLKNTMAPVTPSNHKKSRHGHTSNTELTPCESASHILTHCLPSSYFKTTPHSKTYDIDHGNNTGRDKIAAFSLLSTVEIRYQDDLLVGCVYPSMHDKSHPTSSTSCSSVSINKTELNSNRLPLLLLHLPRSTPLAGTAGLVDAFVSLEAKVLARGFMTVFEEIGGMGVWQRYWCQLRADYLHFWRYPEDEQRARSNNAVNNKHLHSPLGRIDLRHIVTPGAVIAPRSICARANTIYMRSLREIDPNCLSASINDNNNNNTNSNSTTSGIVSKKRSSNESLIFRASTDYRWLEQKHLLCADTPQERDAWITWLNGCIESLKDWMPGHFNFLSRYDAQLEFNQPVSSQLGALLIHGLPSPSSSSSSLVLTK
					

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(Predicted Aligned Error values between residue pairs)

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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	51.1	Low	75.2	Confident	139 Å²	139	113.4 Å²	113.4	69%	0.685	58%	0.578	S	S	*	*				0	126.7	0	-72.9	179.9	74.7	0	0	109.8	D5 K6 M9	M1-D5 VanDerWaalsContact C-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.47Å; M1-D5 HydrophobicContact CB-CB 4.14Å; M1-D5 HydrophobicContact CE-CB 3.81Å; M1-D5 HydrophobicContact CG-CB 4.34Å; M1-K6 HydrophobicContact CE-CG 3.97Å; M1-M9 HydrophobicContact CE-CB 4.46Å; M1-M9 HydrophobicContact CE-CE 3.53Å; M1-M9 HydrophobicContact CE-SD 3.8Å; M1-M9 HydrophobicContact SD-CE 4.25Å
2	S	69.4	Low	75.8	Confident	40 Å²	40	110.3 Å²	110.3	28%	0.28	57%	0.569	S	S	.	*			trans	-71.5	167.5	170.1	80.5	0	0	0	0	111.8	T4 D5 K6	S2-T4 PolarHBondContact O-N 2.87Å; S2-T4 PolarHBondContact OG-N 2.98Å; S2-T4 PolarHBondContact OG-OG1 3.19Å; S2-D5 WeakPolarHBondContact CB-OD1 3.43Å; S2-D5 VanDerWaalsContact N-CG 3.3Å; S2-D5 PolarHBondContact N-OD2 3.45Å; S2-D5 PolarHBondContact O-N 3.09Å; S2-D5 PolarHBondContact OG-N 3.35Å; S2-D5 PolarHBondContact OG-OD1 3.18Å; S2-K6 PolarHBondContact O-N 3.4Å
3	P	74.4	Confident	76.6	Confident	107 Å²	107	113.9 Å²	113.9	70%	0.695	58%	0.578	S	S	*	*	H	α-helix	trans	-59	-37.2	169.8	-23.4	35	0	0	0	112.3	K6 V7	P3-K6 PolarHBondContact O-N 3.41Å; P3-V7 PolarHBondContact O-N 3.37Å; P3-V7 VanDerWaalsContact O-N 3.14Å
4	T	72.8	Confident	77.4	Confident	101 Å²	101	110.1 Å²	110.1	62%	0.62	57%	0.567	S	S	*	*	H	α-helix	trans	-61.2	-44.6	175.1	20.2	0	0	0	0	112.4	S2 K6 V7 E8	S2-T4 PolarHBondContact O-N 2.87Å; S2-T4 PolarHBondContact OG-N 2.98Å; S2-T4 PolarHBondContact OG-OG1 3.19Å; T4-K6 PolarHBondContact O-N 3.29Å; T4-V7 PolarHBondContact O-N 3.4Å; T4-E8 PolarHBondContact O-N 2.83Å
5	D	74	Confident	78	Confident	67 Å²	67	112.1 Å²	112.1	36%	0.358	57%	0.57	S	S	.	*	H	α-helix	trans	-59.3	-37.4	176.8	-45.7	-5.4	0	0	0	111	M1 S2 M9	M1-D5 VanDerWaalsContact C-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.47Å; M1-D5 HydrophobicContact CB-CB 4.14Å; M1-D5 HydrophobicContact CE-CB 3.81Å; M1-D5 HydrophobicContact CG-CB 4.34Å; S2-D5 WeakPolarHBondContact CB-OD1 3.43Å; S2-D5 VanDerWaalsContact N-CG 3.3Å; S2-D5 PolarHBondContact N-OD2 3.45Å; S2-D5 PolarHBondContact O-N 3.09Å; S2-D5 PolarHBondContact OG-N 3.35Å; S2-D5 PolarHBondContact OG-OD1 3.18Å; D5-M9 WeakPolarHBondContact O-CB 3.46Å; D5-M9 PolarHBondContact O-N 2.95Å
6	K	76.9	Confident	78.4	Confident	133 Å²	133	112.9 Å²	112.9	58%	0.578	58%	0.575	S	S	*	*	H	α-helix	trans	-69.8	-32	177.7	-69.7	-175.4	178	-178	0	112.5	M1 S2 P3 T4 K10	M1-K6 HydrophobicContact CE-CG 3.97Å; S2-K6 PolarHBondContact O-N 3.4Å; P3-K6 PolarHBondContact O-N 3.41Å; T4-K6 PolarHBondContact O-N 3.29Å; K6-K10 WeakPolarHBondContact O-CB 3.39Å; K6-K10 WeakPolarHBondContact O-CG 3.41Å; K6-K10 PolarHBondContact O-N 3.01Å
7	V	83.3	Confident	79	Confident	99 Å²	99	109.2 Å²	109.2	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-73.6	-44.8	174.5	173.1	0	0	0	0	110.5	P3 T4 K10 K11	P3-V7 PolarHBondContact O-N 3.37Å; P3-V7 VanDerWaalsContact O-N 3.14Å; T4-V7 PolarHBondContact O-N 3.4Å; V7-K10 WeakPolarHBondContact O-CB 3.47Å; V7-K10 PolarHBondContact O-N 3.34Å; V7-K11 WeakPolarHBondContact O-CB 3.39Å; V7-K11 PolarHBondContact O-N 3.03Å
8	E	78	Confident	79.4	Confident	137 Å²	137	106.7 Å²	106.7	64%	0.64	55%	0.553	S	S	*	*	H	α-helix	trans	-65.5	-43.9	178.8	-171.6	156.5	-132.7	0	0	111.9	T4 K10 K11 T12	T4-E8 PolarHBondContact O-N 2.83Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 3.49Å; E8-K11 WeakPolarHBondContact O-CA 3.39Å; E8-K11 WeakPolarHBondContact O-CB 3.48Å; E8-K11 PolarHBondContact O-N 3.21Å; E8-T12 PolarHBondContact O-N 3.29Å; E8-T12 PolarHBondContact O-OG1 3.17Å
9	M	79.7	Confident	79.6	Confident	111 Å²	111	106 Å²	106	55%	0.547	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-30.4	174.2	-171.1	179.9	-72.6	0	0	113	M1 D5 T12 K13	M1-M9 HydrophobicContact CE-CB 4.46Å; M1-M9 HydrophobicContact CE-CE 3.53Å; M1-M9 HydrophobicContact CE-SD 3.8Å; M1-M9 HydrophobicContact SD-CE 4.25Å; D5-M9 WeakPolarHBondContact O-CB 3.46Å; D5-M9 PolarHBondContact O-N 2.95Å; M9-T12 PolarHBondContact O-OG1 3.33Å; M9-K13 WeakPolarHBondContact O-CB 3.41Å; M9-K13 PolarHBondContact O-N 3.41Å; M9-K13 VanDerWaalsContact O-N 3.15Å
10	K	83.3	Confident	79.8	Confident	163 Å²	163	103.6 Å²	103.6	71%	0.709	55%	0.546	S	S	*	.	H	α-helix	trans	-68	-40.7	168	-83.7	-178.2	174.1	-171	0	111.5	K6 V7 E8 K13 S14	K6-K10 WeakPolarHBondContact O-CB 3.39Å; K6-K10 WeakPolarHBondContact O-CG 3.41Å; K6-K10 PolarHBondContact O-N 3.01Å; V7-K10 WeakPolarHBondContact O-CB 3.47Å; V7-K10 PolarHBondContact O-N 3.34Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 3.49Å; K10-K13 PolarHBondContact O-N 3.01Å; K10-S14 PolarHBondContact O-N 3.45Å
11	K	84.6	Confident	80	Confident	150 Å²	150	106.6 Å²	106.6	65%	0.652	55%	0.55	S	S	*	*	H	α-helix	trans	-69.2	-39	-178	-160	172.6	-173.4	177.7	0	112.4	V7 E8 K15	V7-K11 WeakPolarHBondContact O-CB 3.39Å; V7-K11 PolarHBondContact O-N 3.03Å; E8-K11 WeakPolarHBondContact O-CA 3.39Å; E8-K11 WeakPolarHBondContact O-CB 3.48Å; E8-K11 PolarHBondContact O-N 3.21Å; K11-K15 PolarHBondContact O-N 2.93Å
12	T	82.2	Confident	81.7	Confident	76 Å²	76	104.7 Å²	104.7	47%	0.466	54%	0.539	S	S	.	.	H	α-helix	trans	-68.6	-41.2	172	55.8	0	0	0	0	111.8	E8 M9 S14 K15 L16	E8-T12 PolarHBondContact O-N 3.29Å; E8-T12 PolarHBondContact O-OG1 3.17Å; M9-T12 PolarHBondContact O-OG1 3.33Å; T12-S14 VanDerWaalsContact C-N 3.31Å; T12-S14 PolarHBondContact O-N 3.45Å; T12-K15 PolarHBondContact O-N 3.39Å; T12-L16 PolarHBondContact O-N 3.45Å
13	K	85.7	Confident	82.2	Confident	158 Å²	158	107.7 Å²	107.7	69%	0.687	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-30.3	176.7	-162.7	170.2	-172.2	176.7	0	113.1	M9 K10 A17	M9-K13 WeakPolarHBondContact O-CB 3.41Å; M9-K13 PolarHBondContact O-N 3.41Å; M9-K13 VanDerWaalsContact O-N 3.15Å; K10-K13 PolarHBondContact O-N 3.01Å; K13-A17 PolarHBondContact O-N 3.17Å
14	S	88.1	Confident	82.5	Confident	61 Å²	61	105.2 Å²	105.2	43%	0.427	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-57.7	167.2	-168.9	0	0	0	0	110.7	K10 T12 L16 A17 D18	K10-S14 PolarHBondContact O-N 3.45Å; T12-S14 VanDerWaalsContact C-N 3.31Å; T12-S14 PolarHBondContact O-N 3.45Å; S14-L16 PolarHBondContact O-N 3.22Å; S14-L16 VanDerWaalsContact O-N 3.1Å; S14-A17 CarbonylContact O-C 3.48Å; S14-A17 WeakPolarHBondContact O-CA 3.48Å; S14-A17 WeakPolarHBondContact O-CB 3.45Å; S14-A17 PolarHBondContact O-N 2.9Å; S14-D18 VanDerWaalsContact O-CG 3.23Å; S14-D18 PolarHBondContact O-N 3.14Å; S14-D18 PolarHBondContact OG-OD2 3.21Å; S14-D18 VanDerWaalsContact OG-OD2 3.11Å
15	K	86.2	Confident	82.9	Confident	140 Å²	140	103.3 Å²	103.3	61%	0.609	53%	0.531	S	S	*	.	H	α-helix	trans	-53.5	-36.6	-179.3	-76	-170.4	168.6	-163	0	113.4	K11 T12 D18 L19	K11-K15 PolarHBondContact O-N 2.93Å; T12-K15 PolarHBondContact O-N 3.39Å; K15-D18 PolarHBondContact O-N 3.39Å; K15-L19 WeakPolarHBondContact O-CB 3.39Å; K15-L19 WeakPolarHBondContact O-CG 3.27Å; K15-L19 PolarHBondContact O-N 2.97Å
16	L	84.2	Confident	82.7	Confident	125 Å²	125	108.2 Å²	108.2	65%	0.654	54%	0.544	S	S	*	.	H	α-helix	trans	-67	-37.8	174.1	-101.4	159.5	0	0	0	113.2	T12 S14 A20	T12-L16 PolarHBondContact O-N 3.45Å; S14-L16 PolarHBondContact O-N 3.22Å; S14-L16 VanDerWaalsContact O-N 3.1Å; L16-A20 VanDerWaalsContact O-CB 3.27Å; L16-A20 WeakPolarHBondContact O-CB 3.25Å; L16-A20 PolarHBondContact O-N 3.09Å
17	A	88.7	Confident	82.5	Confident	49 Å²	49	106.5 Å²	106.5	41%	0.405	54%	0.538	S	S	.	.	H	α-helix	trans	-73.8	-28	173.2	0	0	0	0	0	112.8	K13 S14 R21	K13-A17 PolarHBondContact O-N 3.17Å; S14-A17 CarbonylContact O-C 3.48Å; S14-A17 WeakPolarHBondContact O-CA 3.48Å; S14-A17 WeakPolarHBondContact O-CB 3.45Å; S14-A17 PolarHBondContact O-N 2.9Å; A17-R21 WeakPolarHBondContact O-CG 3.41Å; A17-R21 PolarHBondContact O-N 3.43Å; A17-R21 PolarHBondContact O-NE 3.04Å
18	D	86.9	Confident	81.9	Confident	64 Å²	64	104.2 Å²	104.2	34%	0.342	52%	0.522	S	S	.	.	H	α-helix	trans	-69.6	-51.5	174	-60	-42.5	0	0	0	110.2	S14 K15 A20 R21 E22	S14-D18 VanDerWaalsContact O-CG 3.23Å; S14-D18 PolarHBondContact O-N 3.14Å; S14-D18 PolarHBondContact OG-OD2 3.21Å; S14-D18 VanDerWaalsContact OG-OD2 3.11Å; K15-D18 PolarHBondContact O-N 3.39Å; D18-A20 VanDerWaalsContact C-N 3.33Å; D18-A20 PolarHBondContact O-N 3.24Å; D18-R21 PolarHBondContact O-N 2.98Å; D18-R21 VanDerWaalsContact O-N 3.1Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NH2 3.13Å; D18-R21 PolarHBondContact OD1-NH2 3.17Å; D18-E22 PolarHBondContact O-N 3.05Å
19	L	82.5	Confident	81.6	Confident	94 Å²	94	102.1 Å²	102.1	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-38.2	173.5	-74.9	167	0	0	0	113	K15 R21 E22 I23	K15-L19 WeakPolarHBondContact O-CB 3.39Å; K15-L19 WeakPolarHBondContact O-CG 3.27Å; K15-L19 PolarHBondContact O-N 2.97Å; L19-R21 VanDerWaalsContact C-N 3.28Å; L19-R21 PolarHBondContact O-N 2.69Å; L19-E22 PolarHBondContact O-N 3.35Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 2.93Å
20	A	84.6	Confident	80.8	Confident	57 Å²	57	103.1 Å²	103.1	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-32.2	175.9	0	0	0	0	0	112.8	L16 D18 A24	L16-A20 VanDerWaalsContact O-CB 3.27Å; L16-A20 WeakPolarHBondContact O-CB 3.25Å; L16-A20 PolarHBondContact O-N 3.09Å; D18-A20 VanDerWaalsContact C-N 3.33Å; D18-A20 PolarHBondContact O-N 3.24Å; A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 2.92Å; A20-A24 VanDerWaalsContact O-N 3.14Å
21	R	84.2	Confident	79.9	Confident	168 Å²	168	103.1 Å²	103.1	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-74.9	-36.7	173.8	-74.2	-176.5	-70.9	-175.7	1.9	112.2	A17 D18 L19 A24 S25	A17-R21 WeakPolarHBondContact O-CG 3.41Å; A17-R21 PolarHBondContact O-N 3.43Å; A17-R21 PolarHBondContact O-NE 3.04Å; D18-R21 PolarHBondContact O-N 2.98Å; D18-R21 VanDerWaalsContact O-N 3.1Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NH2 3.13Å; D18-R21 PolarHBondContact OD1-NH2 3.17Å; L19-R21 VanDerWaalsContact C-N 3.28Å; L19-R21 PolarHBondContact O-N 2.69Å; R21-A24 PolarHBondContact O-N 2.98Å; R21-S25 PolarHBondContact O-N 3.37Å
22	E	85.2	Confident	78.5	Confident	99 Å²	99	104 Å²	104	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-50.6	173.6	-174.2	171.7	-165.6	0	0	111.2	D18 L19 A24 S25 W26	D18-E22 PolarHBondContact O-N 3.05Å; L19-E22 PolarHBondContact O-N 3.35Å; E22-A24 VanDerWaalsContact C-N 3.3Å; E22-A24 PolarHBondContact O-N 3.32Å; E22-S25 WeakPolarHBondContact O-CB 3.28Å; E22-S25 PolarHBondContact O-N 2.74Å; E22-W26 PolarHBondContact O-N 2.61Å
23	I	80.3	Confident	76.7	Confident	103 Å²	103	106.3 Å²	106.3	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-57.8	-42.7	176	-66.8	165.1	0	0	0	111.1	L19 S25 W26 E27	L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 2.93Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 3.12Å; I23-W26 PolarHBondContact O-N 3.43Å; I23-E27 PolarHBondContact O-N 2.91Å
24	A	81.1	Confident	74.5	Confident	54 Å²	54	103.7 Å²	103.7	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-35.6	175.9	0	0	0	0	0	113	A20 R21 E22 D28	A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 2.92Å; A20-A24 VanDerWaalsContact O-N 3.14Å; R21-A24 PolarHBondContact O-N 2.98Å; E22-A24 VanDerWaalsContact C-N 3.3Å; E22-A24 PolarHBondContact O-N 3.32Å; A24-D28 PolarHBondContact O-N 3.18Å
25	S	81.8	Confident	71.9	Confident	62 Å²	62	109.2 Å²	109.2	43%	0.434	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-47	173.4	-165.4	0	0	0	0	111.3	R21 E22 I23 E27 D28 D29	R21-S25 PolarHBondContact O-N 3.37Å; E22-S25 WeakPolarHBondContact O-CB 3.28Å; E22-S25 PolarHBondContact O-N 2.74Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 3.12Å; S25-E27 VanDerWaalsContact C-N 3.31Å; S25-E27 PolarHBondContact O-N 3.17Å; S25-D28 PolarHBondContact O-N 2.87Å; S25-D28 VanDerWaalsContact O-N 3.07Å; S25-D29 PolarHBondContact O-N 2.7Å
26	W	69.5	Low	69.5	Low	169 Å²	169	109.8 Å²	109.8	64%	0.64	55%	0.553	S	S	*	*	H	α-helix	trans	-64.7	-36.2	179.5	-71.6	46.8	0	0	0	111.6	E22 I23 L30	E22-W26 PolarHBondContact O-N 2.61Å; I23-W26 PolarHBondContact O-N 3.43Å; W26-L30 WeakPolarHBondContact O-CB 3.39Å; W26-L30 VanDerWaalsContact O-CG 3.28Å; W26-L30 WeakPolarHBondContact O-CG 3.11Å; W26-L30 PolarHBondContact O-N 2.94Å; W26-L30 VanDerWaalsContact O-N 3.12Å
27	E	71.6	Confident	67.1	Low	98 Å²	98	113.4 Å²	113.4	46%	0.458	56%	0.564	S	S	.	*	H	α-helix	trans	-64.2	-37.4	170.9	-80.5	-165.2	-156.6	0	0	112.9	I23 S25 R31	I23-E27 PolarHBondContact O-N 2.91Å; S25-E27 VanDerWaalsContact C-N 3.31Å; S25-E27 PolarHBondContact O-N 3.17Å; E27-R31 WeakPolarHBondContact O-CD 3.16Å; E27-R31 WeakPolarHBondContact O-CG 3.29Å; E27-R31 PolarHBondContact O-N 3.24Å; E27-R31 PolarHBondContact O-NE 2.68Å; E27-R31 IonicContact OE2-CZ 3.01Å; E27-R31 IonicContact OE2-NH2 3.85Å; E27-R31 PolarHBondContact OE2-NH2 2.99Å
28	D	71.4	Confident	64.4	Low	50 Å²	50	118.6 Å²	118.6	27%	0.267	58%	0.579	S	S	.	*	H	α-helix	trans	-76	-35.5	-179.9	-125.4	48	0	0	0	112.2	A24 S25 R31 R32	A24-D28 PolarHBondContact O-N 3.18Å; S25-D28 PolarHBondContact O-N 2.87Å; S25-D28 VanDerWaalsContact O-N 3.07Å; D28-R31 WeakPolarHBondContact O-CB 3.3Å; D28-R31 PolarHBondContact O-N 3.28Å; D28-R31 VanDerWaalsContact O-N 3.12Å; D28-R31 IonicContact OD1-CZ 2.74Å; D28-R31 IonicContact OD1-NE 2.71Å; D28-R31 IonicContact OD1-NH1 3.94Å; D28-R31 PolarHBondContact OD1-NH1 3.48Å; D28-R32 WeakPolarHBondContact O-CD 3.47Å; D28-R32 WeakPolarHBondContact O-CG 3.34Å; D28-R32 PolarHBondContact O-N 3.16Å; D28-R32 VanDerWaalsContact O-N 3.16Å; D28-R32 IonicContact OD2-CZ 3.15Å; D28-R32 IonicContact OD2-NE 2.7Å; D28-R32 PolarHBondContact OD2-NE 3.33Å; D28-R32 IonicContact OD2-NH2 3.74Å; D28-R32 PolarHBondContact OD2-NH2 3.37Å
29	D	71.9	Confident	62	Low	93 Å²	93	121 Å²	121	50%	0.497	60%	0.599	S	S	.	*	H	α-helix	trans	-63.9	-40.8	172.4	-71.3	-37.8	0	0	0	111.4	S25 R31 R32	S25-D29 PolarHBondContact O-N 2.7Å; D29-R31 PolarHBondContact O-N 3Å; D29-R32 PolarHBondContact O-N 3.45Å
30	L	62.5	Low	59.6	Low	133 Å²	133	125 Å²	125	70%	0.696	62%	0.615	S	S	*	*	H	α-helix	trans	-62.7	-25.5	172.4	-74.9	170.4	0	0	0	113.4	W26	W26-L30 WeakPolarHBondContact O-CB 3.39Å; W26-L30 VanDerWaalsContact O-CG 3.28Å; W26-L30 WeakPolarHBondContact O-CG 3.11Å; W26-L30 PolarHBondContact O-N 2.94Å; W26-L30 VanDerWaalsContact O-N 3.12Å
31	R	64.8	Low	57.1	Low	163 Å²	163	131.6 Å²	131.6	62%	0.615	63%	0.633	S	S	*	*	H	α-helix	trans	-83.5	-15.1	173.9	-64.2	162.4	-154.5	177.2	-3.8	113.2	E27 D28 D29	E27-R31 WeakPolarHBondContact O-CD 3.16Å; E27-R31 WeakPolarHBondContact O-CG 3.29Å; E27-R31 PolarHBondContact O-N 3.24Å; E27-R31 PolarHBondContact O-NE 2.68Å; E27-R31 IonicContact OE2-CZ 3.01Å; E27-R31 IonicContact OE2-NH2 3.85Å; E27-R31 PolarHBondContact OE2-NH2 2.99Å; D28-R31 WeakPolarHBondContact O-CB 3.3Å; D28-R31 PolarHBondContact O-N 3.28Å; D28-R31 VanDerWaalsContact O-N 3.12Å; D28-R31 IonicContact OD1-CZ 2.74Å; D28-R31 IonicContact OD1-NE 2.71Å; D28-R31 IonicContact OD1-NH1 3.94Å; D28-R31 PolarHBondContact OD1-NH1 3.48Å; D29-R31 PolarHBondContact O-N 3Å
32	R	56.1	Low	54.6	Low	168 Å²	168	129.2 Å²	129.2	63%	0.634	64%	0.639	S	S	*	*	H	α-helix	trans	-99.5	-2.3	-172.4	-73.9	169.7	-168.2	-141.8	7.5	114.9	D28 D29 P34	D28-R32 WeakPolarHBondContact O-CD 3.47Å; D28-R32 WeakPolarHBondContact O-CG 3.34Å; D28-R32 PolarHBondContact O-N 3.16Å; D28-R32 VanDerWaalsContact O-N 3.16Å; D28-R32 IonicContact OD2-CZ 3.15Å; D28-R32 IonicContact OD2-NE 2.7Å; D28-R32 PolarHBondContact OD2-NE 3.33Å; D28-R32 IonicContact OD2-NH2 3.74Å; D28-R32 PolarHBondContact OD2-NH2 3.37Å; D29-R32 PolarHBondContact O-N 3.45Å; R32-P34 WeakPolarHBondContact O-CD 3.37Å; R32-P34 VanDerWaalsContact O-N 3.16Å
33	I	42.7	Very low	52.1	Low	125 Å²	125	133 Å²	133	64%	0.641	66%	0.661	S	S	*	*			trans	-61	112.9	176	-57.3	178.1	0	0	0	109.4
34	P	40	Very low	49.9	Very low	102 Å²	102	139.8 Å²	139.8	66%	0.662	68%	0.68	S	S	*	*			trans	-74.9	136.8	-172.5	-17.8	33	0	0	0	112.7	R32 H36	R32-P34 WeakPolarHBondContact O-CD 3.37Å; R32-P34 VanDerWaalsContact O-N 3.16Å; P34-H36 VanDerWaalsContact C-N 3.3Å; P34-H36 PolarHBondContact O-N 3.03Å
35	L	34	Very low	47.4	Very low	178 Å²	178	145 Å²	145	93%	0.932	70%	0.7	S	S	*	*			trans	-74.3	80.6	169.1	-73.9	169.8	0	0	0	110.6	K37	L35-K37 PolarHBondContact O-N 3.41Å
36	H	35.7	Very low	45.1	Very low	152 Å²	152	148 Å²	148	70%	0.704	72%	0.722	S	S	*	*			trans	-67.7	118.4	172.6	-121.2	-94.9	0	0	0	110.6	P34 E38	P34-H36 VanDerWaalsContact C-N 3.3Å; P34-H36 PolarHBondContact O-N 3.03Å; H36-E38 IonicContact ND1-OE1 3.1Å
37	K	33.6	Very low	43.1	Very low	201 Å²	201	145.1 Å²	145.1	87%	0.874	73%	0.733	S	S	*	*			trans	-88.7	124.5	160.7	-72.4	-177.3	176.3	-178.8	0	108	L35	L35-K37 PolarHBondContact O-N 3.41Å
38	E	32.6	Very low	41.2	Very low	157 Å²	157	145.3 Å²	145.3	73%	0.734	75%	0.752	S	S	*	*			trans	-112.3	135.2	171.6	-78	-79.9	111	0	0	109.2	H36	H36-E38 IonicContact ND1-OE1 3.1Å
39	P	35.5	Very low	39.4	Very low	116 Å²	116	152.4 Å²	152.4	75%	0.753	78%	0.78	S	S	*	*			trans	-90.3	161.7	177.3	36	-34.4	0	0	0	113.2
40	E	31.7	Very low	37.5	Very low	178 Å²	178	159.1 Å²	159.1	83%	0.832	80%	0.8	S	S	*	*			trans	-78.7	130.4	-177.2	-53	177.7	145.1	0	0	114
41	K	32.7	Very low	35.9	Very low	194 Å²	194	160.8 Å²	160.8	84%	0.843	81%	0.81	S	S	*	*				176.3	151.7	115.8	-93.4	154.6	-173	171.7	0	113.4
42	P	31.6	Very low	34.3	Very low	119 Å²	119	164.5 Å²	164.5	77%	0.773	82%	0.824	S	S	*	*			trans	-105.6	147.2	-169.4	38.5	-33.2	0	0	0	115.4
43	I	33.6	Very low	33.1	Very low	179 Å²	179	164.5 Å²	164.5	92%	0.918	84%	0.837	S	S	*	*			trans	-136.1	158.6	167.2	-64.9	-174.1	0	0	0	110.5
44	R	33.1	Very low	32.6	Very low	244 Å²	244	163.3 Å²	163.3	92%	0.921	84%	0.839	S	S	*	*			trans	-70.6	156.1	-161.9	-72.1	172.8	166.2	165	-6.3	117.9
45	N	29.9	Very low	32.5	Very low	164 Å²	164	165.4 Å²	165.4	88%	0.877	84%	0.844	S	S	*	*			trans	-50.6	147.6	172.6	-42.6	-15.8	0	0	0	116.3
46	S	33.4	Very low	32.6	Very low	126 Å²	126	159.8 Å²	159.8	88%	0.881	82%	0.823	S	S	*	*			trans	-149.9	163.4	134.4	65.6	0	0	0	0	109.3
47	A	27.3	Very low	32.8	Very low	107 Å²	107	158.8 Å²	158.8	88%	0.884	82%	0.823	S	S	*	*			trans	-118.7	142.3	-161.5	0	0	0	0	0	114.9
48	A	32	Very low	33.5	Very low	103 Å²	103	152.9 Å²	152.9	85%	0.851	80%	0.799	S	S	*	*			trans	-136	140.7	165.4	0	0	0	0	0	109.8
49	K	33.1	Very low	34.3	Very low	199 Å²	199	152.1 Å²	152.1	87%	0.865	80%	0.795	S	S	*	*			trans	-83.8	126.3	-172.1	-67.3	176.5	178.1	176.1	0	112.4
50	Y	31.6	Very low	34.8	Very low	234 Å²	234	153.6 Å²	153.6	92%	0.918	80%	0.796	S	S	*	*			trans	-140.4	130.3	149.7	-96.2	-83.2	0	0	0	109.2	R52	Y50-R52 PolarHBondContact O-N 3.05Å
51	N	28.1	Very low	35.8	Very low	168 Å²	168	148.8 Å²	148.8	90%	0.898	78%	0.776	S	S	*	*			trans	-74.5	113.4	-179	-82.2	-7.5	0	0	0	111.2
52	R	33	Very low	36.6	Very low	241 Å²	241	142.7 Å²	142.7	91%	0.909	76%	0.756	S	S	*	*			trans	-136	132.9	152.1	-92	-174.5	166.8	-177.3	-3.7	107.2	Y50 S54	Y50-R52 PolarHBondContact O-N 3.05Å; R52-S54 PolarHBondContact O-N 2.8Å
53	D	30.9	Very low	37.4	Very low	168 Å²	168	141.6 Å²	141.6	90%	0.898	75%	0.747	S	S	*	*			trans	-60.8	125.3	-176.1	-61.4	-58.3	0	0	0	111.1
54	S	32.1	Very low	38.6	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	73%	0.734	S	S	*	*			trans	-77.1	133.2	-171.6	-172.8	0	0	0	0	111.8	R52 A56	R52-S54 PolarHBondContact O-N 2.8Å; S54-A56 PolarHBondContact O-N 3.06Å
55	L	37.5	Very low	40.2	Very low	147 Å²	147	129.8 Å²	129.8	77%	0.77	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	14	177.7	-82.5	150.2	0	0	0	114.3	H58	L55-H58 PolarHBondContact O-CD2 3.43Å; L55-H58 VanDerWaalsContact O-CD2 3.27Å
56	A	36.3	Very low	41.6	Very low	60 Å²	60	126.6 Å²	126.6	50%	0.496	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-33	-167.7	0	0	0	0	0	115.4	S54 H58 H59	S54-A56 PolarHBondContact O-N 3.06Å; A56-H58 PolarHBondContact O-N 2.85Å; A56-H58 VanDerWaalsContact O-N 3.16Å; A56-H59 PolarHBondContact O-CD2 3.46Å
57	D	38.5	Very low	43.1	Very low	131 Å²	131	126 Å²	126	70%	0.701	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-82	11.9	-171.1	-87.2	-41.3	0	0	0	115.1	H59	D57-H59 PolarHBondContact O-N 3Å; D57-H59 VanDerWaalsContact O-N 3.13Å
58	H	48.9	Very low	45	Very low	77 Å²	77	122.9 Å²	122.9	36%	0.356	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-68.3	-12.3	-175.8	-70	-39.2	0	0	0	115.2	L55 A56	L55-H58 PolarHBondContact O-CD2 3.43Å; L55-H58 VanDerWaalsContact O-CD2 3.27Å; A56-H58 PolarHBondContact O-N 2.85Å; A56-H58 VanDerWaalsContact O-N 3.16Å
59	H	49.1	Very low	46.1	Very low	140 Å²	140	124.7 Å²	124.7	65%	0.648	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-77.7	-25.4	-171.5	-66.3	-74.8	0	0	0	114.9	A56 D57	A56-H59 PolarHBondContact O-CD2 3.46Å; D57-H59 PolarHBondContact O-N 3Å; D57-H59 VanDerWaalsContact O-N 3.13Å
60	N	46	Very low	46.8	Very low	147 Å²	147	121.8 Å²	121.8	79%	0.786	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-99.7	1.6	-172.5	-69.1	-33.7	0	0	0	114.9
61	L	52.2	Low	48.3	Very low	78 Å²	78	114.8 Å²	114.8	41%	0.408	58%	0.576	S	S	.	*	S	Bend	trans	-91.9	126.9	-179.5	-78.8	163.7	0	0	0	112.1	A65 R66	L61-A65 HydrophobicContact CD2-CB 4.06Å; L61-R66 PolarHBondContact O-NE 3.29Å; L61-R66 VanDerWaalsContact O-NE 3.16Å; L61-R66 PolarHBondContact O-NH2 3.42Å
62	P	50.9	Low	50	Low	65 Å²	65	115.6 Å²	115.6	42%	0.422	57%	0.567	S	S	.	*			trans	-55.7	156	171.5	-27.3	35.9	0	0	0	113.5	F64 A65 R66	P62-F64 VanDerWaalsContact C-N 3.32Å; P62-F64 HydrophobicContact CB-CD1 3.67Å; P62-F64 HydrophobicContact CB-CE1 3.41Å; P62-F64 VanDerWaalsContact CB-CE1 3.41Å; P62-F64 HydrophobicContact CB-CZ 4.08Å; P62-F64 HydrophobicContact CG-CE1 3.93Å; P62-F64 HydrophobicContact CG-CZ 4.27Å; P62-F64 PolarHBondContact O-N 3.07Å; P62-A65 PolarHBondContact O-N 2.97Å; P62-R66 PolarHBondContact O-N 3.28Å; P62-R66 VanDerWaalsContact O-N 3.13Å
63	V	47.1	Very low	51.4	Low	96 Å²	96	107.9 Å²	107.9	58%	0.582	54%	0.543	S	S	*	.	H	α-helix	trans	-57.5	-42.3	-175.1	-177.5	0	0	0	0	112	A65 R66 K67	V63-A65 VanDerWaalsContact C-N 3.3Å; V63-A65 PolarHBondContact O-N 2.76Å; V63-R66 WeakPolarHBondContact O-CB 3.47Å; V63-R66 PolarHBondContact O-N 2.95Å; V63-K67 PolarHBondContact O-N 3.13Å
64	F	58.7	Low	52.3	Low	149 Å²	149	104.3 Å²	104.3	65%	0.654	52%	0.522	S	S	*	.	H	α-helix	trans	-59.8	-37.2	177.2	72.1	-99.2	0	0	0	112.9	P62 K67 A68	P62-F64 VanDerWaalsContact C-N 3.32Å; P62-F64 HydrophobicContact CB-CD1 3.67Å; P62-F64 HydrophobicContact CB-CE1 3.41Å; P62-F64 VanDerWaalsContact CB-CE1 3.41Å; P62-F64 HydrophobicContact CB-CZ 4.08Å; P62-F64 HydrophobicContact CG-CE1 3.93Å; P62-F64 HydrophobicContact CG-CZ 4.27Å; P62-F64 PolarHBondContact O-N 3.07Å; F64-K67 PolarHBondContact O-N 2.85Å; F64-A68 WeakPolarHBondContact O-CB 3.36Å; F64-A68 PolarHBondContact O-N 2.68Å
65	A	67.2	Low	53.6	Low	27 Å²	27	105 Å²	105	22%	0.223	52%	0.518	C	S	.	.	H	α-helix	trans	-73.8	-36.1	179.5	0	0	0	0	0	111.6	L61 P62 V63 R69	L61-A65 HydrophobicContact CD2-CB 4.06Å; P62-A65 PolarHBondContact O-N 2.97Å; V63-A65 VanDerWaalsContact C-N 3.3Å; V63-A65 PolarHBondContact O-N 2.76Å; A65-R69 WeakPolarHBondContact O-CB 3.46Å; A65-R69 PolarHBondContact O-N 2.9Å; A65-R69 VanDerWaalsContact O-N 3.09Å
66	R	60.3	Low	54.2	Low	96 Å²	96	101 Å²	101	36%	0.362	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-46.4	169.3	-97.7	-179.4	-86.9	167.1	-10	111.4	L61 P62 V63 R69 W70 E445	L61-R66 PolarHBondContact O-NE 3.29Å; L61-R66 VanDerWaalsContact O-NE 3.16Å; L61-R66 PolarHBondContact O-NH2 3.42Å; P62-R66 PolarHBondContact O-N 3.28Å; P62-R66 VanDerWaalsContact O-N 3.13Å; V63-R66 WeakPolarHBondContact O-CB 3.47Å; V63-R66 PolarHBondContact O-N 2.95Å; R66-R69 PolarHBondContact O-N 3.16Å; R66-W70 WeakPolarHBondContact O-CB 3.23Å; R66-W70 PolarHBondContact O-N 2.61Å; R66-E445 IonicContact NH1-OE2 2.76Å; R66-E445 PolarHBondContact NH1-OE2 3.27Å
67	K	63.9	Low	54.4	Low	115 Å²	115	101.9 Å²	101.9	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-53	177.2	179.9	173.9	171.3	178.6	0	112.1	V63 F64 R69 W70 E71	V63-K67 PolarHBondContact O-N 3.13Å; F64-K67 PolarHBondContact O-N 2.85Å; K67-R69 VanDerWaalsContact C-N 3.28Å; K67-R69 PolarHBondContact O-N 3.15Å; K67-W70 CarbonylContact O-C 3.6Å; K67-W70 WeakPolarHBondContact O-CA 3.21Å; K67-W70 WeakPolarHBondContact O-CB 3.5Å; K67-W70 PolarHBondContact O-N 2.8Å; K67-E71 WeakPolarHBondContact CE-OE1 3.22Å; K67-E71 HydrophobicContact CG-CG 4.37Å; K67-E71 IonicContact NZ-OE1 3.34Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.42Å
68	A	67.8	Low	54.5	Low	40 Å²	40	100.4 Å²	100.4	33%	0.331	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-33.2	-179.8	0	0	0	0	0	113.1	F64 R72	F64-A68 WeakPolarHBondContact O-CB 3.36Å; F64-A68 PolarHBondContact O-N 2.68Å; A68-R72 WeakPolarHBondContact O-CG 3.41Å; A68-R72 PolarHBondContact O-N 3.07Å; A68-R72 VanDerWaalsContact O-N 3.17Å
69	R	54.4	Low	54	Low	141 Å²	141	100.4 Å²	100.4	53%	0.532	51%	0.508	S	S	.	.	H	α-helix	trans	-71.8	-34.9	172.4	-170.2	175.8	-175.2	-93.4	5	112.3	A65 R66 K67 L73	A65-R69 WeakPolarHBondContact O-CB 3.46Å; A65-R69 PolarHBondContact O-N 2.9Å; A65-R69 VanDerWaalsContact O-N 3.09Å; R66-R69 PolarHBondContact O-N 3.16Å; K67-R69 VanDerWaalsContact C-N 3.28Å; K67-R69 PolarHBondContact O-N 3.15Å; R69-L73 HydrophobicContact CG-CD1 4.45Å; R69-L73 WeakPolarHBondContact O-CG 3.4Å; R69-L73 PolarHBondContact O-N 3.13Å
70	W	48.3	Very low	53.3	Low	139 Å²	139	102 Å²	102	53%	0.527	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-42.1	175.1	-174.6	83.1	0	0	0	112.1	R66 K67 R72 L73 M74	R66-W70 WeakPolarHBondContact O-CB 3.23Å; R66-W70 PolarHBondContact O-N 2.61Å; K67-W70 CarbonylContact O-C 3.6Å; K67-W70 WeakPolarHBondContact O-CA 3.21Å; K67-W70 WeakPolarHBondContact O-CB 3.5Å; K67-W70 PolarHBondContact O-N 2.8Å; W70-R72 VanDerWaalsContact C-N 3.3Å; W70-R72 PolarHBondContact O-N 3.41Å; W70-L73 PolarHBondContact O-N 2.98Å; W70-L73 VanDerWaalsContact O-N 3.08Å; W70-M74 HydrophobicContact CD2-CG 3.82Å; W70-M74 HydrophobicContact CE3-CG 3.93Å; W70-M74 HydrophobicContact CH2-CE 3.97Å; W70-M74 HydrophobicContact CH2-CG 3.75Å; W70-M74 HydrophobicContact CH2-SD 4.11Å; W70-M74 HydrophobicContact CZ2-CE 3.89Å; W70-M74 HydrophobicContact CZ2-CG 3.62Å; W70-M74 HydrophobicContact CZ2-SD 3.57Å; W70-M74 VanDerWaalsContact CZ2-SD 3.57Å; W70-M74 HydrophobicContact CZ3-CG 3.9Å; W70-M74 WeakPolarHBondContact O-CG 3.33Å; W70-M74 PolarHBondContact O-N 2.9Å
71	E	62.9	Low	52.7	Low	86 Å²	86	103.7 Å²	103.7	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-41.1	173.6	-71.1	168.6	161	0	0	111.3	K67 M74 N75	K67-E71 WeakPolarHBondContact CE-OE1 3.22Å; K67-E71 HydrophobicContact CG-CG 4.37Å; K67-E71 IonicContact NZ-OE1 3.34Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.42Å; E71-M74 PolarHBondContact O-N 3.4Å; E71-N75 VanDerWaalsContact O-CG 3.23Å; E71-N75 PolarHBondContact O-N 2.87Å; E71-N75 VanDerWaalsContact O-N 3.09Å; E71-N75 PolarHBondContact O-ND2 2.77Å
72	R	64.6	Low	51.6	Low	186 Å²	186	106 Å²	106	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-60.8	-46.4	170	-73.1	174.5	-175.3	-175	0.7	112.6	A68 W70 M74 N75 D76	A68-R72 WeakPolarHBondContact O-CG 3.41Å; A68-R72 PolarHBondContact O-N 3.07Å; A68-R72 VanDerWaalsContact O-N 3.17Å; W70-R72 VanDerWaalsContact C-N 3.3Å; W70-R72 PolarHBondContact O-N 3.41Å; R72-M74 VanDerWaalsContact C-N 3.34Å; R72-M74 PolarHBondContact O-N 2.86Å; R72-N75 PolarHBondContact O-N 2.96Å; R72-D76 PolarHBondContact O-N 3.49Å
73	L	60.9	Low	50.6	Low	79 Å²	79	111.8 Å²	111.8	41%	0.414	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-35.8	178.6	-77.3	165.3	0	0	0	113.1	R69 W70 D76 S77	R69-L73 HydrophobicContact CG-CD1 4.45Å; R69-L73 WeakPolarHBondContact O-CG 3.4Å; R69-L73 PolarHBondContact O-N 3.13Å; W70-L73 PolarHBondContact O-N 2.98Å; W70-L73 VanDerWaalsContact O-N 3.08Å; L73-D76 PolarHBondContact O-N 3.5Å; L73-S77 WeakPolarHBondContact O-CB 3.47Å; L73-S77 PolarHBondContact O-N 2.75Å; L73-S77 PolarHBondContact O-OG 2.91Å
74	M	50.1	Low	49.9	Very low	93 Å²	93	115 Å²	115	46%	0.458	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-38.5	174.8	-66.9	-65.1	-74.7	0	0	111.5	W70 E71 R72 S77 S78	W70-M74 HydrophobicContact CD2-CG 3.82Å; W70-M74 HydrophobicContact CE3-CG 3.93Å; W70-M74 HydrophobicContact CH2-CE 3.97Å; W70-M74 HydrophobicContact CH2-CG 3.75Å; W70-M74 HydrophobicContact CH2-SD 4.11Å; W70-M74 HydrophobicContact CZ2-CE 3.89Å; W70-M74 HydrophobicContact CZ2-CG 3.62Å; W70-M74 HydrophobicContact CZ2-SD 3.57Å; W70-M74 VanDerWaalsContact CZ2-SD 3.57Å; W70-M74 HydrophobicContact CZ3-CG 3.9Å; W70-M74 WeakPolarHBondContact O-CG 3.33Å; W70-M74 PolarHBondContact O-N 2.9Å; E71-M74 PolarHBondContact O-N 3.4Å; R72-M74 VanDerWaalsContact C-N 3.34Å; R72-M74 PolarHBondContact O-N 2.86Å; M74-S77 WeakPolarHBondContact O-CB 3.44Å; M74-S77 PolarHBondContact O-N 3.47Å; M74-S78 PolarHBondContact O-N 2.86Å; M74-S78 PolarHBondContact O-OG 3.49Å
75	N	60.8	Low	48.5	Very low	113 Å²	113	112.5 Å²	112.5	60%	0.604	57%	0.572	S	S	*	*	H	α-helix	trans	-73.1	-30.8	175.4	-65.5	-9.1	0	0	0	113.1	E71 R72 S77 S78 S79	E71-N75 VanDerWaalsContact O-CG 3.23Å; E71-N75 PolarHBondContact O-N 2.87Å; E71-N75 VanDerWaalsContact O-N 3.09Å; E71-N75 PolarHBondContact O-ND2 2.77Å; R72-N75 PolarHBondContact O-N 2.96Å; N75-S77 VanDerWaalsContact C-N 3.33Å; N75-S78 PolarHBondContact O-OG 3.34Å; N75-S78 VanDerWaalsContact O-OG 3.13Å; N75-S79 PolarHBondContact O-OG 2.83Å
76	D	49.1	Very low	46.9	Very low	63 Å²	63	117.7 Å²	117.7	34%	0.337	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-34.8	167.6	-102.6	-48	0	0	0	111.6	R72 L73 S79 R80	R72-D76 PolarHBondContact O-N 3.49Å; L73-D76 PolarHBondContact O-N 3.5Å; D76-S79 PolarHBondContact O-N 3.18Å; D76-S79 PolarHBondContact O-OG 2.81Å; D76-S79 VanDerWaalsContact O-OG 3.06Å; D76-R80 VanDerWaalsContact CG-NH2 3.33Å; D76-R80 VanDerWaalsContact O-CG 3.29Å; D76-R80 WeakPolarHBondContact O-CG 3.26Å; D76-R80 IonicContact OD1-CZ 2.8Å; D76-R80 VanDerWaalsContact OD1-CZ 3.29Å; D76-R80 IonicContact OD1-NE 2.64Å; D76-R80 PolarHBondContact OD1-NE 3.2Å; D76-R80 VanDerWaalsContact OD1-NE 3.11Å; D76-R80 IonicContact OD1-NH2 3.71Å; D76-R80 PolarHBondContact OD1-NH2 2.71Å; D76-R80 IonicContact OD2-NH2 3.38Å
77	S	40.4	Very low	45.5	Very low	78 Å²	78	119.7 Å²	119.7	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-70.9	-30.6	-178.7	-60	0	0	0	0	112.8	L73 M74 N75 S79	L73-S77 WeakPolarHBondContact O-CB 3.47Å; L73-S77 PolarHBondContact O-N 2.75Å; L73-S77 PolarHBondContact O-OG 2.91Å; M74-S77 WeakPolarHBondContact O-CB 3.44Å; M74-S77 PolarHBondContact O-N 3.47Å; N75-S77 VanDerWaalsContact C-N 3.33Å; S77-S79 VanDerWaalsContact C-N 3.34Å
78	S	41.4	Very low	44	Very low	100 Å²	100	117.9 Å²	117.9	70%	0.699	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-8.2	177.1	53.1	0	0	0	0	114.5	M74 N75	M74-S78 PolarHBondContact O-N 2.86Å; M74-S78 PolarHBondContact O-OG 3.49Å; N75-S78 PolarHBondContact O-OG 3.34Å; N75-S78 VanDerWaalsContact O-OG 3.13Å
79	S	38.8	Very low	42.3	Very low	77 Å²	77	124 Å²	124	54%	0.538	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.2	-7.8	178	55.1	0	0	0	0	114.7	N75 D76 S77	N75-S79 PolarHBondContact O-OG 2.83Å; D76-S79 PolarHBondContact O-N 3.18Å; D76-S79 PolarHBondContact O-OG 2.81Å; D76-S79 VanDerWaalsContact O-OG 3.06Å; S77-S79 VanDerWaalsContact C-N 3.34Å
80	R	34	Very low	41.3	Very low	175 Å²	175	122.4 Å²	122.4	66%	0.66	67%	0.665	S	S	*	*	S	Bend	trans	-113.5	45	-169.2	-64	179.1	-168.1	-146.7	6.4	114.8	D76	D76-R80 VanDerWaalsContact CG-NH2 3.33Å; D76-R80 VanDerWaalsContact O-CG 3.29Å; D76-R80 WeakPolarHBondContact O-CG 3.26Å; D76-R80 IonicContact OD1-CZ 2.8Å; D76-R80 VanDerWaalsContact OD1-CZ 3.29Å; D76-R80 IonicContact OD1-NE 2.64Å; D76-R80 PolarHBondContact OD1-NE 3.2Å; D76-R80 VanDerWaalsContact OD1-NE 3.11Å; D76-R80 IonicContact OD1-NH2 3.71Å; D76-R80 PolarHBondContact OD1-NH2 2.71Å; D76-R80 IonicContact OD2-NH2 3.38Å
81	H	33.7	Very low	40.5	Very low	181 Å²	181	122.5 Å²	122.5	84%	0.838	68%	0.676	S	S	*	*	S	Bend	trans	-137.4	31.9	174.5	-96.1	-63.5	0	0	0	115.5
82	T	28.7	Very low	39.2	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	70%	0.702	S	S	*	*	S	Bend	trans	-140.6	76.5	168.1	51.5	0	0	0	0	112.8
83	E	29.2	Very low	37.7	Very low	185 Å²	185	124.5 Å²	124.5	86%	0.864	71%	0.706	S	S	*	*			trans	-175.2	123.8	150.7	-112.4	171.2	-169.3	0	0	111.7
84	N	32.4	Very low	36.6	Very low	163 Å²	163	126.7 Å²	126.7	87%	0.872	73%	0.725	S	S	*	*			trans	167.9	115.3	139	-95.5	-58.9	0	0	0	111.8
85	A	29.6	Very low	35.9	Very low	98 Å²	98	127.5 Å²	127.5	81%	0.81	74%	0.74	S	S	*	*			trans	55.1	139	167.1	0	0	0	0	0	117.7
86	V	32.7	Very low	34.5	Very low	136 Å²	136	128.9 Å²	128.9	82%	0.824	75%	0.746	S	S	*	*			cis	-144	149.9	44.2	162.9	0	0	0	0	112.5
87	V	31.2	Very low	33.8	Very low	137 Å²	137	131.2 Å²	131.2	83%	0.83	76%	0.763	S	S	*	*			trans	-26.8	137.6	169.5	-174	0	0	0	0	116.9
88	G	32.7	Very low	33.5	Very low	78 Å²	78	133.8 Å²	133.8	80%	0.804	77%	0.766	S	S	*	*			trans	-171	48.1	179.5	0	0	0	0	0	117.3
89	E	32.9	Very low	33.1	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	77%	0.765	S	S	*	*			trans	15.4	123	162.9	-68.4	-168.9	135.6	0	0	124
90	T	33.3	Very low	32.7	Very low	109 Å²	109	137.3 Å²	137.3	67%	0.669	78%	0.775	S	S	*	*			trans	85.5	115.3	132.4	63.1	0	0	0	0	124.5
91	N	31.9	Very low	32.6	Very low	140 Å²	140	135.7 Å²	135.7	75%	0.749	78%	0.784	S	S	*	*				63.6	103.8	123.1	-55	-19	0	0	0	122.5
92	K	35.8	Very low	32.5	Very low	219 Å²	219	131.5 Å²	131.5	95%	0.952	78%	0.78	S	S	*	*				-171.7	170.2	100.9	-100.7	168.3	-177.6	176.3	0	113.3
93	A	32.2	Very low	32.8	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	78%	0.782	S	S	*	*			trans	-107	166.8	-152.8	0	0	0	0	0	116.3
94	P	38	Very low	32.7	Very low	125 Å²	125	132 Å²	132	81%	0.812	78%	0.782	S	S	*	*			trans	-109.5	175.7	-173.1	42.2	-35.2	0	0	0	115.4
95	S	34.1	Very low	32.7	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	78%	0.777	S	S	*	*			trans	-166	169.3	165.8	75.1	0	0	0	0	108.8
96	L	32.8	Very low	32.9	Very low	141 Å²	141	135.4 Å²	135.4	74%	0.738	78%	0.779	S	S	*	*			cis	-159.7	-175.7	1.9	-163.7	55.7	0	0	0	109.2
97	V	33.5	Very low	32.7	Very low	113 Å²	113	134.5 Å²	134.5	69%	0.685	78%	0.779	S	S	*	*			trans	73.7	100.2	164.2	-166.1	0	0	0	0	115.9
98	Q	34.2	Very low	32.8	Very low	132 Å²	132	131.8 Å²	131.8	62%	0.617	78%	0.779	S	S	*	*				73.1	150.7	64.1	-64.1	159.9	-104.6	0	0	113.9
99	Q	34.4	Very low	32.7	Very low	144 Å²	144	138.1 Å²	138.1	67%	0.673	79%	0.788	S	S	*	*			cis	-158	146.9	-12.6	-112.8	162.4	-57.7	0	0	106
100	S	28.5	Very low	32.7	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	79%	0.788	S	S	*	*			cis	84	83.5	16.2	87	0	0	0	0	117.4
101	V	32.7	Very low	32.6	Very low	141 Å²	141	136.2 Å²	136.2	86%	0.855	80%	0.795	S	S	*	*			trans	-140.3	134.3	163.7	-177.7	0	0	0	0	111.2
102	A	32.8	Very low	32.5	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	80%	0.8	S	S	*	*			trans	-155.3	145.9	160.8	0	0	0	0	0	109.3
103	P	34.7	Very low	32.3	Very low	126 Å²	126	138.5 Å²	138.5	82%	0.818	80%	0.795	S	S	*	*			trans	-105.4	148.4	172.4	35.3	-28.1	0	0	0	113.7
104	K	26.5	Very low	32.2	Very low	198 Å²	198	143.3 Å²	143.3	86%	0.861	80%	0.798	S	S	*	*			trans	-103.1	-168.8	166.8	-95.2	-176.4	173.9	179.4	0	109.5
105	I	31.7	Very low	31.9	Very low	150 Å²	150	144.1 Å²	144.1	77%	0.769	80%	0.8	S	S	*	*			trans	85.8	136.9	167.2	-49.9	161.2	0	0	0	110.6
106	Q	34.5	Very low	31.7	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	80%	0.799	S	S	*	*			cis	-139	172	18.5	-145.1	141.4	36.9	0	0	113.4
107	S	29.1	Very low	31.6	Very low	117 Å²	117	146.7 Å²	146.7	82%	0.818	81%	0.805	S	S	*	*			trans	-99.6	142	173.9	54.4	0	0	0	0	112.6
108	G	33.1	Very low	31.3	Very low	81 Å²	81	144.8 Å²	144.8	84%	0.835	80%	0.797	S	S	*	*			trans	-155.5	138	169.2	0	0	0	0	0	112
109	Q	30.3	Very low	31.1	Very low	211 Å²	211	144.3 Å²	144.3	99%	0.986	80%	0.803	S	S	*	*			trans	-91.7	134.9	176.5	-69.5	174.3	-51	0	0	110.4
110	G	32.3	Very low	30.8	Very low	76 Å²	76	143.4 Å²	143.4	78%	0.784	81%	0.807	S	S	*	*			trans	-149.5	148.7	176.3	0	0	0	0	0	110.5
111	I	31.9	Very low	30.9	Very low	159 Å²	159	143.8 Å²	143.8	82%	0.815	81%	0.809	S	S	*	*			trans	-113.5	139.6	-165.6	-69.3	170.4	0	0	0	111.1
112	R	30	Very low	30.9	Very low	226 Å²	226	143.4 Å²	143.4	85%	0.853	81%	0.807	S	S	*	*			trans	67.1	142.9	179.7	-70	156.5	137.9	162.5	-9.3	113
113	E	30.8	Very low	30.7	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	81%	0.81	S	S	*	*			cis	-139.7	-174.7	31.2	-144.8	150	-133.1	0	0	114
114	K	30.6	Very low	30.8	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.857	81%	0.807	S	S	*	*			trans	-105.8	128.2	-168.6	-69.2	-179.9	177.6	179.7	0	114
115	V	31.7	Very low	31.1	Very low	142 Å²	142	143.4 Å²	143.4	86%	0.861	80%	0.8	S	S	*	*			trans	-134.2	112	142.3	-178.2	0	0	0	0	107.6
116	L	30.5	Very low	31.1	Very low	142 Å²	142	142.8 Å²	142.8	74%	0.743	80%	0.803	S	S	*	*			trans	-145.4	106.9	-179.5	-177.6	75.4	0	0	0	109.3	S118	L116-S118 PolarHBondContact O-N 2.91Å
117	N	29.1	Very low	31.2	Very low	164 Å²	164	139.7 Å²	139.7	88%	0.877	80%	0.799	S	S	*	*			trans	-78.7	67.1	174.7	-75.4	-0.9	0	0	0	110.9
118	S	27.5	Very low	31.4	Very low	72 Å²	72	146.2 Å²	146.2	50%	0.503	81%	0.805	S	S	.	*			trans	-111	90.8	170.7	-174.6	0	0	0	0	108.8	L116 T120	L116-S118 PolarHBondContact O-N 2.91Å; S118-T120 VanDerWaalsContact C-N 3.33Å; S118-T120 PolarHBondContact O-N 2.8Å; S118-T120 VanDerWaalsContact O-N 3.17Å
119	V	31.2	Very low	31.6	Very low	123 Å²	123	145.9 Å²	145.9	75%	0.745	80%	0.802	S	S	*	*			trans	-89.6	72.3	179.8	-172.4	0	0	0	0	110	C121	V119-C121 HydrophobicContact CG1-CB 4.09Å; V119-C121 PolarHBondContact O-N 3.18Å; V119-C121 VanDerWaalsContact O-N 3.14Å
120	T	26.7	Very low	32.4	Very low	125 Å²	125	141.7 Å²	141.7	77%	0.767	80%	0.795	S	S	*	*			trans	-78.2	77.1	156.1	52.6	0	0	0	0	108.6	S118	S118-T120 VanDerWaalsContact C-N 3.33Å; S118-T120 PolarHBondContact O-N 2.8Å; S118-T120 VanDerWaalsContact O-N 3.17Å
121	C	31.9	Very low	33.8	Very low	114 Å²	114	143.1 Å²	143.1	77%	0.77	79%	0.785	S	S	*	*			trans	-70.3	140	174.1	-101.7	0	0	0	0	111.1	V119	V119-C121 HydrophobicContact CG1-CB 4.09Å; V119-C121 PolarHBondContact O-N 3.18Å; V119-C121 VanDerWaalsContact O-N 3.14Å
122	T	32.4	Very low	35.8	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	76%	0.764	S	S	*	*			trans	-74.7	151.1	-169.8	43.9	0	0	0	0	113.4	A124	T122-A124 PolarHBondContact O-N 2.99Å
123	K	29	Very low	38.1	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	76%	0.756	S	S	*	*			trans	-44.7	115.6	167.2	-176.1	-173.1	-178.8	-170.3	0	111.6
124	A	35.2	Very low	40.2	Very low	91 Å²	91	129 Å²	129	75%	0.752	74%	0.742	S	S	*	*			trans	-129.6	140.4	162.4	0	0	0	0	0	107.6	T122	T122-A124 PolarHBondContact O-N 2.99Å
125	D	32.8	Very low	42.6	Very low	134 Å²	134	124.4 Å²	124.4	72%	0.717	72%	0.723	S	S	*	*			trans	-83.5	-175.4	-178.4	-71.2	-74	0	0	0	112.1
126	V	32.1	Very low	45	Very low	138 Å²	138	125.4 Å²	125.4	84%	0.836	71%	0.712	S	S	*	*			trans	82	126.7	174.9	-170	0	0	0	0	115.4
127	P	37.7	Very low	47.4	Very low	117 Å²	117	121.7 Å²	121.7	76%	0.76	69%	0.691	S	S	*	*			cis	-128.3	172.6	-30.3	35.2	-17.1	0	0	0	113.2	G129	P127-G129 PolarHBondContact O-N 2.84Å
128	R	32.4	Very low	50	Low	254 Å²	254	120.7 Å²	120.7	96%	0.958	68%	0.678	S	S	*	*			trans	-78.8	115.3	171.7	-72.7	176.3	170.1	-179.2	-2.6	111.3
129	G	37.7	Very low	52.8	Low	74 Å²	74	121.9 Å²	121.9	76%	0.763	68%	0.678	S	S	*	*			trans	160.2	81.4	160.3	0	0	0	0	0	118.1	P127	P127-G129 PolarHBondContact O-N 2.84Å
130	S	46.5	Very low	55.4	Low	122 Å²	122	121.8 Å²	121.8	85%	0.853	67%	0.67	S	S	*	*			trans	-169.6	-12.1	160.5	54	0	0	0	0	116.2	S132	S130-S132 PolarHBondContact O-N 2.88Å
131	L	63.1	Low	58.2	Low	107 Å²	107	122.6 Å²	122.6	56%	0.56	66%	0.659	S	S	*	*			trans	-61	129.2	176.3	-72.4	174.8	0	0	0	112.1	E135	L131-E135 HydrophobicContact CD2-CB 4.3Å
132	S	74.1	Confident	60.7	Low	54 Å²	54	122.3 Å²	122.3	38%	0.378	65%	0.648	S	S	.	*			trans	-67.9	159.3	176	68.5	0	0	0	0	112.2	S130 A134 E135 R136	S130-S132 PolarHBondContact O-N 2.88Å; S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.16Å; S132-E135 VanDerWaalsContact CB-OE2 3.29Å; S132-E135 WeakPolarHBondContact CB-OE2 3.25Å; S132-E135 PolarHBondContact N-OE2 2.77Å; S132-E135 PolarHBondContact O-N 3.41Å; S132-E135 VanDerWaalsContact O-N 3.17Å; S132-E135 VanDerWaalsContact OG-CD 3.3Å; S132-E135 VanDerWaalsContact OG-CG 3.3Å; S132-E135 WeakPolarHBondContact OG-CG 3.44Å; S132-E135 PolarHBondContact OG-N 3.19Å; S132-E135 PolarHBondContact OG-OE2 3.29Å; S132-R136 PolarHBondContact O-N 3.21Å
133	H	76.8	Confident	63.3	Low	149 Å²	149	123.4 Å²	123.4	69%	0.69	64%	0.637	S	S	*	*	H	α-helix	trans	-54.2	-45.7	176.6	-170	-75	0	0	0	111.7	E135 R136 E137	H133-E135 VanDerWaalsContact C-N 3.33Å; H133-E135 PolarHBondContact O-N 2.95Å; H133-R136 WeakPolarHBondContact O-CB 3.5Å; H133-R136 PolarHBondContact O-N 2.97Å; H133-E137 IonicContact CE1-OE2 3.45Å; H133-E137 PolarHBondContact CE1-OE2 2.86Å; H133-E137 IonicContact ND1-OE2 3.22Å; H133-E137 PolarHBondContact ND1-OE2 3.06Å; H133-E137 VanDerWaalsContact O-CB 3.27Å; H133-E137 WeakPolarHBondContact O-CB 3.43Å; H133-E137 PolarHBondContact O-N 3.04Å
134	A	75.3	Confident	65.8	Low	65 Å²	65	119.6 Å²	119.6	54%	0.537	62%	0.622	S	S	.	*	H	α-helix	trans	-63.6	-34.7	-179.5	0	0	0	0	0	113.1	S132 K138	S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.16Å; A134-K138 WeakPolarHBondContact O-CB 3.45Å; A134-K138 PolarHBondContact O-N 2.9Å
135	E	81.7	Confident	67.9	Low	101 Å²	101	119.4 Å²	119.4	47%	0.472	61%	0.608	S	S	.	*	H	α-helix	trans	-72.4	-39.2	174.7	-71.4	164.7	122.7	0	0	112	L131 S132 H133 K138 L139	L131-E135 HydrophobicContact CD2-CB 4.3Å; S132-E135 VanDerWaalsContact CB-OE2 3.29Å; S132-E135 WeakPolarHBondContact CB-OE2 3.25Å; S132-E135 PolarHBondContact N-OE2 2.77Å; S132-E135 PolarHBondContact O-N 3.41Å; S132-E135 VanDerWaalsContact O-N 3.17Å; S132-E135 VanDerWaalsContact OG-CD 3.3Å; S132-E135 VanDerWaalsContact OG-CG 3.3Å; S132-E135 WeakPolarHBondContact OG-CG 3.44Å; S132-E135 PolarHBondContact OG-N 3.19Å; S132-E135 PolarHBondContact OG-OE2 3.29Å; H133-E135 VanDerWaalsContact C-N 3.33Å; H133-E135 PolarHBondContact O-N 2.95Å; E135-K138 PolarHBondContact O-N 3.47Å; E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 PolarHBondContact O-N 3.42Å
136	R	80.8	Confident	70.2	Confident	163 Å²	163	115.3 Å²	115.3	62%	0.615	59%	0.592	S	S	*	*	H	α-helix	trans	-61.7	-51.8	176.7	-153.6	-179.9	-161.1	122.8	-5.8	110.7	S132 H133 K138 L139 E140	S132-R136 PolarHBondContact O-N 3.21Å; H133-R136 WeakPolarHBondContact O-CB 3.5Å; H133-R136 PolarHBondContact O-N 2.97Å; R136-K138 PolarHBondContact O-N 3.13Å; R136-L139 PolarHBondContact O-N 3.32Å; R136-L139 VanDerWaalsContact O-N 3.17Å; R136-E140 WeakPolarHBondContact O-CB 3.26Å; R136-E140 PolarHBondContact O-N 3.29Å
137	E	82	Confident	72.6	Confident	65 Å²	65	114 Å²	114	30%	0.304	58%	0.578	S	S	.	*	H	α-helix	trans	-62.2	-38.2	177.3	-168.8	-170.8	152.9	0	0	112.3	H133 R141	H133-E137 IonicContact CE1-OE2 3.45Å; H133-E137 PolarHBondContact CE1-OE2 2.86Å; H133-E137 IonicContact ND1-OE2 3.22Å; H133-E137 PolarHBondContact ND1-OE2 3.06Å; H133-E137 VanDerWaalsContact O-CB 3.27Å; H133-E137 WeakPolarHBondContact O-CB 3.43Å; H133-E137 PolarHBondContact O-N 3.04Å; E137-R141 PolarHBondContact O-N 2.95Å; E137-R141 IonicContact OE1-CZ 3.13Å; E137-R141 IonicContact OE1-NH1 2.69Å; E137-R141 PolarHBondContact OE1-NH1 3.35Å; E137-R141 IonicContact OE1-NH2 2.74Å; E137-R141 PolarHBondContact OE1-NH2 2.95Å
138	K	83.6	Confident	74.5	Confident	143 Å²	143	113 Å²	113	62%	0.622	57%	0.565	S	S	*	*	H	α-helix	trans	-64.7	-42.4	172.9	179.1	-176.4	177.7	-172.9	0	112	A134 E135 R136 E140 M142	A134-K138 WeakPolarHBondContact O-CB 3.45Å; A134-K138 PolarHBondContact O-N 2.9Å; E135-K138 PolarHBondContact O-N 3.47Å; R136-K138 PolarHBondContact O-N 3.13Å; K138-E140 VanDerWaalsContact C-N 3.35Å; K138-M142 HydrophobicContact CG-CE 4.34Å; K138-M142 VanDerWaalsContact O-CB 3.28Å; K138-M142 WeakPolarHBondContact O-CB 3.26Å; K138-M142 PolarHBondContact O-N 3.25Å; K138-M142 VanDerWaalsContact O-N 3.09Å
139	L	85.1	Confident	76.4	Confident	96 Å²	96	109.6 Å²	109.6	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-69.7	-35.6	179.5	-158.9	77.5	0	0	0	111.6	E135 R136 M142 R143	E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 PolarHBondContact O-N 3.42Å; R136-L139 PolarHBondContact O-N 3.32Å; R136-L139 VanDerWaalsContact O-N 3.17Å; L139-M142 PolarHBondContact O-N 3.38Å; L139-R143 PolarHBondContact O-N 3.42Å
140	E	86.5	Confident	78.1	Confident	121 Å²	121	115.7 Å²	115.7	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-66.7	-53.5	177.7	-161.8	144.2	-115.7	0	0	111.4	R136 K138 M142 R143 E144	R136-E140 WeakPolarHBondContact O-CB 3.26Å; R136-E140 PolarHBondContact O-N 3.29Å; K138-E140 VanDerWaalsContact C-N 3.35Å; E140-M142 PolarHBondContact O-N 3.39Å; E140-R143 WeakPolarHBondContact O-CA 3.32Å; E140-R143 WeakPolarHBondContact O-CB 3.47Å; E140-R143 PolarHBondContact O-N 3.34Å; E140-E144 PolarHBondContact O-N 2.85Å
141	R	85.4	Confident	79.5	Confident	143 Å²	143	114 Å²	114	54%	0.54	54%	0.541	S	S	.	.	H	α-helix	trans	-57.2	-35.1	172.1	-72.3	-166.6	-174.8	103.3	9.6	112.8	E137 R143 E144 L145	E137-R141 PolarHBondContact O-N 2.95Å; E137-R141 IonicContact OE1-CZ 3.13Å; E137-R141 IonicContact OE1-NH1 2.69Å; E137-R141 PolarHBondContact OE1-NH1 3.35Å; E137-R141 IonicContact OE1-NH2 2.74Å; E137-R141 PolarHBondContact OE1-NH2 2.95Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R141-E144 PolarHBondContact O-N 3.35Å; R141-L145 WeakPolarHBondContact O-CB 3.5Å; R141-L145 PolarHBondContact O-N 3.07Å
142	M	85.6	Confident	79.2	Confident	108 Å²	108	118.9 Å²	118.9	53%	0.532	55%	0.551	S	S	.	*	H	α-helix	trans	-68.5	-31.1	177.6	-162.3	-174.3	-48	0	0	112.4	K138 L139 E140 A146	K138-M142 HydrophobicContact CG-CE 4.34Å; K138-M142 VanDerWaalsContact O-CB 3.28Å; K138-M142 WeakPolarHBondContact O-CB 3.26Å; K138-M142 PolarHBondContact O-N 3.25Å; K138-M142 VanDerWaalsContact O-N 3.09Å; L139-M142 PolarHBondContact O-N 3.38Å; E140-M142 PolarHBondContact O-N 3.39Å; M142-A146 PolarHBondContact O-N 3.04Å
143	R	85.3	Confident	77.8	Confident	154 Å²	154	126 Å²	126	58%	0.581	57%	0.57	S	S	*	*	H	α-helix	trans	-70.8	-47.9	171.5	179.7	176.7	-78.5	118.5	-4.3	111.1	L139 E140 R141 L145 A146 E147	L139-R143 PolarHBondContact O-N 3.42Å; E140-R143 WeakPolarHBondContact O-CA 3.32Å; E140-R143 WeakPolarHBondContact O-CB 3.47Å; E140-R143 PolarHBondContact O-N 3.34Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R143-L145 VanDerWaalsContact C-N 3.31Å; R143-L145 PolarHBondContact O-N 3.01Å; R143-A146 WeakPolarHBondContact O-CA 3.35Å; R143-A146 WeakPolarHBondContact O-CB 3.27Å; R143-A146 PolarHBondContact O-N 2.64Å; R143-E147 PolarHBondContact O-N 2.85Å
144	E	83.3	Confident	75.8	Confident	112 Å²	112	124.3 Å²	124.3	52%	0.523	57%	0.573	S	S	.	*	H	α-helix	trans	-55.7	-45.1	175.4	-66.5	-177	122.8	0	0	111.9	E140 R141 A146 E147 L148	E140-E144 PolarHBondContact O-N 2.85Å; R141-E144 PolarHBondContact O-N 3.35Å; E144-A146 VanDerWaalsContact C-N 3.25Å; E144-A146 PolarHBondContact O-N 3.08Å; E144-E147 PolarHBondContact O-N 2.69Å; E144-L148 WeakPolarHBondContact O-CB 3.39Å; E144-L148 WeakPolarHBondContact O-CG 3.36Å; E144-L148 PolarHBondContact O-N 3.42Å
145	L	77.6	Confident	73.9	Confident	88 Å²	88	127.4 Å²	127.4	46%	0.461	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-22.9	178.4	-121.6	157.9	0	0	0	113.1	R141 R143 R149	R141-L145 WeakPolarHBondContact O-CB 3.5Å; R141-L145 PolarHBondContact O-N 3.07Å; R143-L145 VanDerWaalsContact C-N 3.31Å; R143-L145 PolarHBondContact O-N 3.01Å; L145-R149 WeakPolarHBondContact O-CB 3.34Å; L145-R149 WeakPolarHBondContact O-CD 3.43Å; L145-R149 VanDerWaalsContact O-CG 3.25Å; L145-R149 WeakPolarHBondContact O-CG 3.47Å; L145-R149 PolarHBondContact O-N 3.22Å
146	A	81.1	Confident	71.6	Confident	47 Å²	47	132.2 Å²	132.2	39%	0.388	60%	0.604	S	S	.	*	H	α-helix	trans	-78.7	-37.4	171.1	0	0	0	0	0	111.8	M142 R143 E144 R149 R150	M142-A146 PolarHBondContact O-N 3.04Å; R143-A146 WeakPolarHBondContact O-CA 3.35Å; R143-A146 WeakPolarHBondContact O-CB 3.27Å; R143-A146 PolarHBondContact O-N 2.64Å; E144-A146 VanDerWaalsContact C-N 3.25Å; E144-A146 PolarHBondContact O-N 3.08Å; A146-R149 PolarHBondContact O-N 3.45Å; A146-R150 WeakPolarHBondContact O-CG 3.31Å; A146-R150 PolarHBondContact O-N 3.07Å; A146-R150 VanDerWaalsContact O-N 3.09Å
147	E	82.6	Confident	69.3	Low	112 Å²	112	129.5 Å²	129.5	52%	0.523	61%	0.61	S	S	.	*	H	α-helix	trans	-72.1	-41.2	176.6	-71.9	178.3	138.9	0	0	111.9	R143 E144 R149 R150 S151	R143-E147 PolarHBondContact O-N 2.85Å; E144-E147 PolarHBondContact O-N 2.69Å; E147-R149 PolarHBondContact O-N 2.89Å; E147-R150 WeakPolarHBondContact O-CA 3.47Å; E147-R150 WeakPolarHBondContact O-CB 3.46Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-S151 PolarHBondContact O-N 2.87Å; E147-S151 PolarHBondContact O-OG 2.84Å
148	L	78.1	Confident	66.8	Low	95 Å²	95	131.9 Å²	131.9	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-60.6	-30.7	170.8	-74.2	168.2	0	0	0	113	E144 S151 R152	E144-L148 WeakPolarHBondContact O-CB 3.39Å; E144-L148 WeakPolarHBondContact O-CG 3.36Å; E144-L148 PolarHBondContact O-N 3.42Å; L148-S151 PolarHBondContact O-OG 3.15Å; L148-R152 WeakPolarHBondContact O-CB 3.36Å; L148-R152 WeakPolarHBondContact O-CG 3.48Å; L148-R152 PolarHBondContact O-N 2.99Å
149	R	71.6	Confident	64.2	Low	182 Å²	182	133.9 Å²	133.9	69%	0.687	65%	0.646	S	S	*	*	H	α-helix	trans	-78.2	-22.3	172.5	-79.2	175.3	174.2	141.9	-3.1	113.5	L145 A146 E147	L145-R149 WeakPolarHBondContact O-CB 3.34Å; L145-R149 WeakPolarHBondContact O-CD 3.43Å; L145-R149 VanDerWaalsContact O-CG 3.25Å; L145-R149 WeakPolarHBondContact O-CG 3.47Å; L145-R149 PolarHBondContact O-N 3.22Å; A146-R149 PolarHBondContact O-N 3.45Å; E147-R149 PolarHBondContact O-N 2.89Å
150	R	75	Confident	61.7	Low	202 Å²	202	134.6 Å²	134.6	76%	0.762	66%	0.658	S	S	*	*	H	α-helix	trans	-79.7	-42.1	171.4	-74.1	173.7	174.7	-177.1	-2.6	111.4	A146 E147 R152	A146-R150 WeakPolarHBondContact O-CG 3.31Å; A146-R150 PolarHBondContact O-N 3.07Å; A146-R150 VanDerWaalsContact O-N 3.09Å; E147-R150 WeakPolarHBondContact O-CA 3.47Å; E147-R150 WeakPolarHBondContact O-CB 3.46Å; E147-R150 PolarHBondContact O-N 3.19Å; R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 3.06Å
151	S	74.3	Confident	59.3	Low	88 Å²	88	137.5 Å²	137.5	62%	0.615	67%	0.672	S	S	*	*	H	α-helix	trans	-71.5	-21	-178.7	65.2	0	0	0	0	114.5	E147 L148	E147-S151 PolarHBondContact O-N 2.87Å; E147-S151 PolarHBondContact O-OG 2.84Å; L148-S151 PolarHBondContact O-OG 3.15Å
152	R	57.9	Low	56.8	Low	208 Å²	208	137.6 Å²	137.6	79%	0.785	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	16.3	179.1	-69.3	-175.3	177.3	-125	1.6	115.3	L148 R150	L148-R152 WeakPolarHBondContact O-CB 3.36Å; L148-R152 WeakPolarHBondContact O-CG 3.48Å; L148-R152 PolarHBondContact O-N 2.99Å; R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 3.06Å
153	R	43.8	Very low	54.6	Low	204 Å²	204	140.8 Å²	140.8	77%	0.77	70%	0.701	S	S	*	*	S	Bend	trans	-76.7	127.4	166.8	-77	-168.5	172.2	-156.8	-3.1	109.8	V155	R153-V155 PolarHBondContact O-N 2.8Å
154	P	36.5	Very low	52.1	Low	114 Å²	114	141.9 Å²	141.9	74%	0.74	71%	0.713	S	S	*	*			trans	-61.4	128.1	173	-21.8	33.4	0	0	0	111
155	V	35.3	Very low	49.9	Very low	130 Å²	130	141.4 Å²	141.4	79%	0.788	72%	0.72	S	S	*	*			trans	-84.9	112.6	168.7	177.1	0	0	0	0	107.8	R153 S157	R153-V155 PolarHBondContact O-N 2.8Å; V155-S157 PolarHBondContact O-N 2.94Å
156	F	33.2	Very low	47.8	Very low	201 Å²	201	145 Å²	145	88%	0.882	73%	0.734	S	S	*	*			trans	-75.8	97.8	164.6	-82	-83.3	0	0	0	108.8	S158	F156-S158 PolarHBondContact O-N 2.86Å
157	S	32	Very low	45.7	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	75%	0.749	S	S	*	*			trans	-84.9	102.1	173.4	55.2	0	0	0	0	110.5	V155	V155-S157 PolarHBondContact O-N 2.94Å
158	S	28.3	Very low	43.6	Very low	115 Å²	115	151.4 Å²	151.4	80%	0.804	76%	0.762	S	S	*	*			trans	-83.6	110.8	174.3	53.6	0	0	0	0	111.4	F156	F156-S158 PolarHBondContact O-N 2.86Å
159	Q	30.1	Very low	41.6	Very low	186 Å²	186	152.2 Å²	152.2	87%	0.869	77%	0.773	S	S	*	*			trans	-148	109.7	166.5	-75.6	-167.9	-14	0	0	111.6
160	S	32.6	Very low	39.9	Very low	110 Å²	110	149.2 Å²	149.2	77%	0.769	78%	0.78	S	S	*	*			trans	-173	107	144.2	34.4	0	0	0	0	112.6
161	H	36	Very low	37.9	Very low	183 Å²	183	144.1 Å²	144.1	85%	0.847	78%	0.775	S	S	*	*			trans	61.6	136.7	154.3	-64.2	-67.5	0	0	0	122.4
162	D	32.8	Very low	36	Very low	144 Å²	144	149.2 Å²	149.2	77%	0.77	79%	0.787	S	S	*	*			trans	-78.6	150.3	178.4	-37.3	-101.9	0	0	0	112.5
163	L	38.8	Very low	34.7	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	79%	0.788	S	S	*	*				-177.8	146.3	115.3	-93.9	163.4	0	0	0	112
164	E	33.9	Very low	34	Very low	178 Å²	178	141.2 Å²	141.2	83%	0.832	79%	0.788	S	S	*	*			trans	-42.8	159.6	-165.8	-80.5	-78	94.6	0	0	121.5
165	P	35.8	Very low	33.9	Very low	102 Å²	102	145.7 Å²	145.7	66%	0.662	80%	0.796	S	S	*	*			trans	-117.4	149.4	-173.9	41.2	-29.8	0	0	0	117.6
166	E	34.9	Very low	33.7	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.762	79%	0.794	S	S	*	*			trans	-153.2	153.1	156	-87.8	-142	139.8	0	0	109.7
167	K	37	Very low	33.6	Very low	162 Å²	162	146.5 Å²	146.5	70%	0.704	79%	0.793	S	S	*	*			cis	-174.3	167.7	-21.8	-160.4	160.7	176.9	179.4	0	109.7
168	V	37.2	Very low	33.7	Very low	132 Å²	132	147 Å²	147	80%	0.8	79%	0.788	S	S	*	*			trans	77.7	141.4	166.9	-169	0	0	0	0	116.8
169	P	36.2	Very low	34.1	Very low	112 Å²	112	148.6 Å²	148.6	73%	0.727	79%	0.787	S	S	*	*			trans	-136.1	-153.3	-161.6	44.4	-23.8	0	0	0	115.4
170	S	36.2	Very low	34.2	Very low	118 Å²	118	149.5 Å²	149.5	83%	0.825	79%	0.789	S	S	*	*			trans	86.5	149.2	173.9	82.7	0	0	0	0	115.9
171	S	34.1	Very low	34.6	Very low	96 Å²	96	151.6 Å²	151.6	67%	0.671	79%	0.791	S	S	*	*			cis	-148.3	152	8.6	61.2	0	0	0	0	113.8
172	F	33	Very low	34.7	Very low	195 Å²	195	150.7 Å²	150.7	86%	0.855	79%	0.791	S	S	*	*			trans	22	129.7	149.9	-73.7	-100.5	0	0	0	119.4
173	V	31.1	Very low	35.6	Very low	133 Å²	133	149.2 Å²	149.2	81%	0.806	79%	0.789	S	S	*	*				-154.6	144	65.8	156.7	0	0	0	0	111
174	S	29.3	Very low	36.2	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	78%	0.781	S	S	*	*			trans	-94.3	145.6	170.7	46.9	0	0	0	0	112.5
175	K	33.2	Very low	36.9	Very low	209 Å²	209	143.3 Å²	143.3	91%	0.909	78%	0.777	S	S	*	*			trans	-128.1	130.3	156.1	-97.3	-169.6	172.9	-174.5	0	110
176	Q	31.3	Very low	37.8	Very low	161 Å²	161	144.5 Å²	144.5	75%	0.752	79%	0.785	S	S	*	*			trans	-53.7	145.6	-173.9	174.5	177.2	-49.1	0	0	114.4	D178	Q176-D178 PolarHBondContact NE2-OD1 3.25Å
177	E	32.1	Very low	38.4	Very low	186 Å²	186	142 Å²	142	87%	0.869	79%	0.785	S	S	*	*			trans	-75.8	122.4	162.3	-64	162.3	120	0	0	108.7
178	D	33.5	Very low	38.9	Very low	118 Å²	118	139.5 Å²	139.5	63%	0.631	79%	0.786	S	S	*	*			trans	-102.7	102.1	170.5	-76.5	-33.5	0	0	0	109.4	Q176 F180	Q176-D178 PolarHBondContact NE2-OD1 3.25Å; D178-F180 PolarHBondContact O-N 3.09Å
179	D	36.3	Very low	39.5	Very low	147 Å²	147	139 Å²	139	79%	0.786	79%	0.785	S	S	*	*			trans	-64	116.7	174.2	-98.8	-38.8	0	0	0	110.8	L181	D179-L181 HydrophobicContact CB-CG 4.44Å; D179-L181 PolarHBondContact O-N 3.28Å
180	F	33.8	Very low	39.4	Very low	205 Å²	205	141.5 Å²	141.5	90%	0.899	79%	0.793	S	S	*	*			trans	-75	70.5	172.5	-88.2	-93.4	0	0	0	111.5	D178 L182	D178-F180 PolarHBondContact O-N 3.09Å; F180-L182 PolarHBondContact O-N 3.33Å
181	L	40.3	Very low	39.1	Very low	154 Å²	154	143.8 Å²	143.8	81%	0.806	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.7	117.7	167.9	-69.6	174.5	0	0	0	109.9	D179	D179-L181 HydrophobicContact CB-CG 4.44Å; D179-L181 PolarHBondContact O-N 3.28Å
182	L	37.9	Very low	39.1	Very low	164 Å²	164	144.2 Å²	144.2	86%	0.859	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.6	140.9	171.8	-68.3	170.4	0	0	0	110.2	F180	F180-L182 PolarHBondContact O-N 3.33Å
183	P	51.8	Low	39	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.9	144.4	176	28	-34.6	0	0	0	110.8
184	P	51.3	Low	39.2	Very low	115 Å²	115	141 Å²	141	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.8	149.9	175	28.9	-34.8	0	0	0	111
185	P	48.6	Very low	39.5	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.4	148.7	175	28.5	-34.9	0	0	0	111.1
186	P	55	Low	39.3	Very low	128 Å²	128	142.2 Å²	142.2	83%	0.831	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.5	135.1	179.7	27.8	-34.4	0	0	0	111.5
187	S	47.1	Very low	39.6	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.6	143.6	176.4	-53.1	0	0	0	0	111.9
188	P	47	Very low	39.6	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.8	151.9	171.5	29.3	-35.1	0	0	0	111.2	N190	P188-N190 PolarHBondContact O-N 3.24Å
189	P	49.3	Very low	39.5	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.8	127.6	179.8	28	-34	0	0	0	111.4	I191	P189-I191 PolarHBondContact O-N 3.41Å
190	N	34.1	Very low	39.3	Very low	164 Å²	164	140 Å²	140	88%	0.877	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.2	117.8	174.5	-89.9	-29.7	0	0	0	110.9	P188 S192	P188-N190 PolarHBondContact O-N 3.24Å; N190-S192 PolarHBondContact O-N 2.95Å
191	I	31.2	Very low	39.2	Very low	165 Å²	165	135.4 Å²	135.4	85%	0.846	80%	0.798	S	S	*	*			trans	-80	101.6	162.1	-59.8	176.1	0	0	0	107.3	P189 A193	P189-I191 PolarHBondContact O-N 3.41Å; I191-A193 PolarHBondContact O-N 2.91Å
192	S	34.3	Very low	39	Very low	105 Å²	105	134 Å²	134	73%	0.734	80%	0.798	S	S	*	*			trans	-73.3	107.5	171.4	54.1	0	0	0	0	109.9	N190	N190-S192 PolarHBondContact O-N 2.95Å
193	A	29.8	Very low	38.8	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	80%	0.801	S	S	*	*			trans	-67	145.3	170.3	0	0	0	0	0	111.1	I191	I191-A193 PolarHBondContact O-N 2.91Å
194	I	35.5	Very low	37.6	Very low	168 Å²	168	137.4 Å²	137.4	86%	0.862	81%	0.805	S	S	*	*			trans	-119.8	150.3	162	-68.4	178.9	0	0	0	107
195	E	36.4	Very low	36.8	Very low	186 Å²	186	138.8 Å²	138.8	87%	0.869	81%	0.811	S	S	*	*			trans	-90.1	151	-153.5	-61.5	167.4	121.8	0	0	114.6
196	N	29.1	Very low	36.1	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	81%	0.81	S	S	*	*			trans	-80	174.5	158.7	-87.4	-36.3	0	0	0	109.9
197	P	36.2	Very low	34.8	Very low	109 Å²	109	138 Å²	138	71%	0.708	81%	0.808	S	S	*	*			cis	-128.5	-178.7	-11.9	37.8	-22.2	0	0	0	113.1
198	L	33.8	Very low	33.9	Very low	166 Å²	166	139.5 Å²	139.5	87%	0.869	81%	0.807	S	S	*	*				-168.1	170.8	126	-107.1	165	0	0	0	113.1
199	I	29.4	Very low	33.1	Very low	150 Å²	150	141.5 Å²	141.5	77%	0.769	81%	0.812	S	S	*	*			trans	-114.2	132.3	-165.6	-62.5	157.9	0	0	0	110.9
200	T	33.4	Very low	31.9	Very low	142 Å²	142	142 Å²	142	87%	0.871	82%	0.816	S	S	*	*			trans	-161.5	166.7	146.2	9.5	0	0	0	0	113.3
201	S	32	Very low	31.7	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	81%	0.814	S	S	*	*			trans	-90.4	166.3	-165.1	46.3	0	0	0	0	115.5
202	P	36.1	Very low	31.8	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	81%	0.805	S	S	*	*			trans	-96.4	165.9	-163.5	38.3	-37.2	0	0	0	115.5
203	Q	32.9	Very low	31.6	Very low	197 Å²	197	140.8 Å²	140.8	92%	0.921	81%	0.808	S	S	*	*			trans	-151.1	157.4	156.6	-114.3	175.9	16.5	0	0	112.1
204	N	27.5	Very low	31.3	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	81%	0.814	S	S	*	*			trans	-88.9	148.5	-170.7	-55	-42.5	0	0	0	113.2
205	T	34.2	Very low	31.1	Very low	143 Å²	143	142 Å²	142	88%	0.877	81%	0.806	S	S	*	*				-172.6	160.8	123.6	19.4	0	0	0	0	110.7
206	P	33.7	Very low	30.8	Very low	112 Å²	112	142.1 Å²	142.1	73%	0.727	81%	0.807	S	S	*	*			trans	-114.5	-172.8	-151.2	43.7	-37.4	0	0	0	116.6
207	C	27.1	Very low	30.9	Very low	114 Å²	114	140.3 Å²	140.3	77%	0.77	80%	0.802	S	S	*	*			trans	79.6	140.3	175.2	-56.1	0	0	0	0	115.1
208	D	29.3	Very low	30.4	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	80%	0.803	S	S	*	*			cis	-134.9	162.2	13.1	-102.6	-39.9	0	0	0	114.9
209	N	29.2	Very low	30.1	Very low	153 Å²	153	140 Å²	140	82%	0.818	80%	0.796	S	S	*	*			trans	56.7	98.4	160.8	-71.5	-41.2	0	0	0	119.8
210	C	25.3	Very low	30.3	Very low	131 Å²	131	139.2 Å²	139.2	89%	0.885	80%	0.802	S	S	*	*			trans	-153.7	163.6	156	-134.3	0	0	0	0	111.3
211	Q	30.2	Very low	30.1	Very low	178 Å²	178	138.6 Å²	138.6	83%	0.832	79%	0.794	S	S	*	*			trans	79.8	173.7	156.1	-114.9	-162.6	-2.3	0	0	118.8
212	P	32.9	Very low	29.9	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	80%	0.799	S	S	*	*				-133	-163.8	-109.7	46.4	-28.8	0	0	0	114.6
213	V	30.4	Very low	29.7	Very low	130 Å²	130	141.5 Å²	141.5	79%	0.788	80%	0.802	S	S	*	*			trans	-127	102.4	162.7	-175.3	0	0	0	0	111
214	L	23.8	Very low	29.5	Very low	170 Å²	170	137.9 Å²	137.9	89%	0.89	79%	0.794	S	S	*	*			trans	-99.6	158.4	143.7	-87	169.2	0	0	0	107.2
215	T	31.3	Very low	29.7	Very low	114 Å²	114	136.8 Å²	136.8	70%	0.699	79%	0.793	S	S	*	*			trans	-145.5	100.4	172.9	-53.7	0	0	0	0	110.8	V217	T215-V217 HydrophobicContact CG2-CG2 4.47Å
216	E	28.2	Very low	29.8	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	79%	0.785	S	S	*	*			trans	-108.6	126.6	154.3	-73.1	-168.2	132.1	0	0	108.5
217	V	31	Very low	30	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	79%	0.789	S	S	*	*			trans	-148.9	95.5	165	-176.2	0	0	0	0	104.6	T215	T215-V217 HydrophobicContact CG2-CG2 4.47Å
218	V	26.7	Very low	30.3	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	79%	0.792	S	S	*	*				73.8	109.9	82.2	174.9	0	0	0	0	113.8
219	M	28	Very low	30.5	Very low	148 Å²	148	137 Å²	137	73%	0.729	79%	0.789	S	S	*	*			trans	23.6	131	147.4	-54.3	-60.1	-69.3	0	0	121.6
220	C	32.7	Very low	31.7	Very low	132 Å²	132	134.8 Å²	134.8	89%	0.892	78%	0.784	S	S	*	*			trans	-163.6	157.9	132.6	-109.7	0	0	0	0	110.7
221	D	29.2	Very low	32.4	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	78%	0.78	S	S	*	*			trans	-108.3	175.4	-160.7	-62.7	-79.2	0	0	0	116.5
222	E	27.5	Very low	32.5	Very low	187 Å²	187	135.2 Å²	135.2	87%	0.874	78%	0.78	S	S	*	*			trans	62.1	114.9	153.8	-91.2	-173.4	117.1	0	0	122.5
223	A	32.3	Very low	32.8	Very low	104 Å²	104	137.1 Å²	137.1	86%	0.86	79%	0.785	S	S	*	*				-166.7	149	128.1	0	0	0	0	0	111.6
224	T	28.1	Very low	33	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	79%	0.788	S	S	*	*			trans	-116	-174.3	-163.6	-54.2	0	0	0	0	113
225	V	33	Very low	33.6	Very low	130 Å²	130	134.4 Å²	134.4	79%	0.788	78%	0.78	S	S	*	*			trans	83.2	155.3	159.9	-107.8	0	0	0	0	118.6
226	P	36	Very low	33.6	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	79%	0.787	S	S	*	*				-135.8	-164.3	-94.9	47.7	-31.9	0	0	0	116.9
227	H	37.3	Very low	33.8	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.796	78%	0.78	S	S	*	*			trans	-48.5	164.9	170.3	-69.3	-78.3	0	0	0	116.5
228	P	34.5	Very low	33.7	Very low	128 Å²	128	136.6 Å²	136.6	83%	0.831	78%	0.783	S	S	*	*				-136	157.7	106.3	39	-30.6	0	0	0	116.9
229	S	33.4	Very low	34.1	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	78%	0.783	S	S	*	*			trans	-145.7	-176	161.2	68.2	0	0	0	0	106.4
230	P	53	Low	34.2	Very low	108 Å²	108	136.3 Å²	136.3	70%	0.701	79%	0.785	S	S	*	*			cis	-117.7	-128.6	-7.1	25.9	0.1	0	0	0	110.5
231	P	40.3	Very low	34.2	Very low	124 Å²	124	135 Å²	135	81%	0.805	78%	0.777	S	S	*	*				-128.9	173.7	52.9	34.6	-16.7	0	0	0	115.4
232	K	33.2	Very low	34.2	Very low	193 Å²	193	134 Å²	134	84%	0.839	78%	0.78	S	S	*	*			trans	-108.1	163.2	166.6	-64.2	176.6	177.5	178.1	0	108.9
233	D	38	Very low	34.4	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	78%	0.777	S	S	*	*			trans	-148.8	162.9	148.9	-115.7	-32.1	0	0	0	114.7
234	M	36.5	Very low	34.1	Very low	172 Å²	172	130.9 Å²	130.9	85%	0.847	77%	0.773	S	S	*	*			trans	-42.8	154.5	-172.2	-58	162.4	-87.5	0	0	118.2
235	G	34.6	Very low	34.2	Very low	71 Å²	71	132.6 Å²	132.6	73%	0.732	78%	0.778	S	S	*	*			cis	160.2	156.6	-9.7	0	0	0	0	0	116.4
236	L	31.6	Very low	33.9	Very low	162 Å²	162	132 Å²	132	85%	0.848	78%	0.775	S	S	*	*			trans	75.6	140.9	152	-64.9	178.2	0	0	0	123.7
237	N	33	Very low	33.5	Very low	136 Å²	136	136.6 Å²	136.6	73%	0.727	78%	0.783	S	S	*	*			trans	68.8	148.7	160.4	-54.3	-6.2	0	0	0	119.7
238	E	28.9	Very low	33	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	78%	0.778	S	S	*	*			cis	-172.8	177.5	-44.6	-121.7	-173.5	172.8	0	0	108.5
239	V	35.8	Very low	32.8	Very low	120 Å²	120	134 Å²	134	73%	0.727	78%	0.775	S	S	*	*			trans	75.7	102.7	169.7	-167.3	0	0	0	0	118.3
240	D	29.4	Very low	32.4	Very low	144 Å²	144	136.2 Å²	136.2	77%	0.77	78%	0.779	S	S	*	*			trans	36	129.8	136.7	-47.1	-30.7	0	0	0	120.7
241	S	33.4	Very low	31.4	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	79%	0.787	S	S	*	*				180	135.6	64.9	38.6	0	0	0	0	114.8
242	S	28.9	Very low	30.9	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	79%	0.79	S	S	*	*			trans	66.6	153.1	144.1	77.1	0	0	0	0	123.6
243	S	31.4	Very low	30.6	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	79%	0.785	S	S	*	*			trans	72.6	93.5	163.2	69.3	0	0	0	0	118.9
244	S	26	Very low	30.4	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	79%	0.785	S	S	*	*			trans	-65.6	149.4	154.3	47.3	0	0	0	0	111.7
245	N	29	Very low	29.8	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	78%	0.784	S	S	*	*			trans	-160.3	144.1	143.7	-110.8	-40.6	0	0	0	114.8
246	T	26.8	Very low	29.8	Very low	118 Å²	118	138 Å²	138	72%	0.724	79%	0.785	S	S	*	*			trans	-71.9	130.4	-177.2	-50.8	0	0	0	0	111.9	I248	T246-I248 PolarHBondContact O-N 2.84Å
247	F	28.8	Very low	29.8	Very low	207 Å²	207	138.4 Å²	138.4	91%	0.908	78%	0.782	S	S	*	*			trans	-79	108.2	175.4	-100.8	-86.9	0	0	0	112.6
248	I	26.6	Very low	29.4	Very low	133 Å²	133	139.6 Å²	139.6	68%	0.682	79%	0.788	S	S	*	*			trans	-96.8	118.1	169.1	-62.4	170.9	0	0	0	108.4	T246 N250	T246-I248 PolarHBondContact O-N 2.84Å; I248-N250 PolarHBondContact O-N 3Å; I248-N250 VanDerWaalsContact O-N 3.11Å
249	S	30.4	Very low	29.5	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	79%	0.792	S	S	*	*			trans	-86.7	68	-178.1	44.1	0	0	0	0	113.4	T251	S249-T251 PolarHBondContact O-N 3Å
250	N	25.4	Very low	28.9	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	79%	0.791	S	S	*	*			trans	-71.9	104.9	163	-85.7	-15.8	0	0	0	110.1	I248 Q252	I248-N250 PolarHBondContact O-N 3Å; I248-N250 VanDerWaalsContact O-N 3.11Å; N250-Q252 PolarHBondContact O-N 2.94Å
251	T	31.6	Very low	28.8	Very low	141 Å²	141	135.9 Å²	135.9	87%	0.865	79%	0.792	S	S	*	*			trans	-90.8	84.5	172.9	40.9	0	0	0	0	111.5	S249	S249-T251 PolarHBondContact O-N 3Å
252	Q	28.8	Very low	28.7	Very low	186 Å²	186	137.5 Å²	137.5	87%	0.869	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-76.3	146.3	173.1	-169.6	168.6	0	0	0	111.3	N250	N250-Q252 PolarHBondContact O-N 2.94Å
253	S	27	Very low	28.5	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-60.1	139.3	-174.9	-47.1	0	0	0	0	113.5	N255	S253-N255 PolarHBondContact O-N 2.89Å
254	P	33.4	Very low	28.4	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.5	122.3	174.7	29.5	-33.4	0	0	0	110.7
255	N	25.7	Very low	28.5	Very low	155 Å²	155	142.7 Å²	142.7	83%	0.829	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-91.8	121.7	174.7	-163.2	0.3	0	0	0	108.6	S253	S253-N255 PolarHBondContact O-N 2.89Å
256	I	32.9	Very low	28.7	Very low	145 Å²	145	143.8 Å²	143.8	74%	0.744	80%	0.797	S	S	*	*			trans	-123.3	95.3	-175.5	-57.7	-175.8	0	0	0	111.2
257	H	31.6	Very low	28.8	Very low	170 Å²	170	144 Å²	144	79%	0.787	80%	0.798	S	S	*	*			trans	31.5	126.1	144.8	-72.8	-89.8	0	0	0	121.6
258	N	25.6	Very low	29	Very low	160 Å²	160	140.4 Å²	140.4	86%	0.856	79%	0.789	S	S	*	*			trans	-47.8	135.2	158.2	-65	-23.1	0	0	0	113.1
259	V	30.7	Very low	29.4	Very low	148 Å²	148	141 Å²	141	90%	0.897	79%	0.792	S	S	*	*			trans	-130.9	130.8	142.8	-179.1	0	0	0	0	107.1
260	S	24.4	Very low	29.6	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	79%	0.788	S	S	*	*			trans	-104.8	169	-177.4	52.8	0	0	0	0	112
261	S	26.8	Very low	30	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	78%	0.781	S	S	*	*			trans	83.7	141.9	179.6	-29.6	0	0	0	0	114.2
262	T	30.6	Very low	30.1	Very low	138 Å²	138	140.9 Å²	140.9	85%	0.847	77%	0.768	S	S	*	*			cis	-125.7	170.4	1.8	42.2	0	0	0	0	112.6
263	N	26.1	Very low	30.4	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	76%	0.758	S	S	*	*			trans	-103.4	119.7	-167.9	-179.7	14.8	0	0	0	112.5
264	I	29.1	Very low	30.6	Very low	148 Å²	148	138.6 Å²	138.6	76%	0.759	75%	0.748	S	S	*	*			trans	-141.7	105.2	165.3	-55.3	-179	0	0	0	110	Q266	I264-Q266 PolarHBondContact O-N 3.21Å
265	N	27.3	Very low	30.3	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	74%	0.744	S	S	*	*			trans	18.2	86.2	153.4	-55.9	-3.5	0	0	0	118.1
266	Q	33.4	Very low	30.4	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	74%	0.741	S	S	*	*			trans	-130.7	34.7	169	-153.2	172	9.8	0	0	113.3	I264	I264-Q266 PolarHBondContact O-N 3.21Å
267	T	28	Very low	30.2	Very low	121 Å²	121	133.4 Å²	133.4	74%	0.742	73%	0.731	S	S	*	*			trans	-96.1	118.1	175.6	49.9	0	0	0	0	110.8
268	N	34.6	Very low	30	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	72%	0.72	S	S	*	*	S	Bend	trans	149.7	-5.2	156.3	-80.1	-8.2	0	0	0	114.8
269	L	33.4	Very low	30.1	Very low	144 Å²	144	126.9 Å²	126.9	75%	0.754	71%	0.712	S	S	*	*	S	Bend	trans	-118.5	-21.3	-171.6	-103.5	165	0	0	0	117.3
270	E	35	Very low	30	Very low	149 Å²	149	123.6 Å²	123.6	70%	0.696	69%	0.692	S	S	*	*	S	Bend	trans	-77.6	-32.8	174.7	-66.1	-156.7	109.6	0	0	113	I272 I273 Q274	E270-I272 VanDerWaalsContact C-N 3.27Å; E270-I272 PolarHBondContact O-N 3.23Å; E270-I273 PolarHBondContact O-N 2.85Å; E270-Q274 VanDerWaalsContact O-CG 3.32Å; E270-Q274 WeakPolarHBondContact O-CG 3.48Å; E270-Q274 PolarHBondContact O-N 2.97Å
271	E	34	Very low	30.3	Very low	138 Å²	138	122.8 Å²	122.8	65%	0.645	68%	0.683	S	S	*	*	H	α-helix	trans	-65.4	-27.4	-169.2	-159.1	159.8	-156.2	0	0	113.2	I273 Q274	E271-I273 VanDerWaalsContact C-N 3.32Å; E271-I273 PolarHBondContact O-N 3.1Å; E271-Q274 PolarHBondContact O-N 2.82Å
272	I	34.6	Very low	30.8	Very low	113 Å²	113	121.9 Å²	121.9	58%	0.579	67%	0.673	S	S	*	*	H	α-helix	trans	-70.9	-24.7	179.7	-60.2	174.9	0	0	0	112.2	E270	E270-I272 VanDerWaalsContact C-N 3.27Å; E270-I272 PolarHBondContact O-N 3.23Å
273	I	34.7	Very low	31	Very low	129 Å²	129	122.3 Å²	122.3	66%	0.662	67%	0.669	S	S	*	*	H	α-helix	trans	-98	-14.7	178.9	-60.5	178.1	0	0	0	111.7	E270 E271 S275	E270-I273 PolarHBondContact O-N 2.85Å; E271-I273 VanDerWaalsContact C-N 3.32Å; E271-I273 PolarHBondContact O-N 3.1Å; I273-S275 VanDerWaalsContact C-N 3.28Å; I273-S275 PolarHBondContact O-N 2.91Å
274	Q	31.7	Very low	31.6	Very low	114 Å²	114	116.6 Å²	116.6	53%	0.533	64%	0.642	S	S	.	*	H	α-helix	trans	-75	-13.9	-175.1	-73.9	169.7	1.3	0	0	113.9	E270 E271 T276	E270-Q274 VanDerWaalsContact O-CG 3.32Å; E270-Q274 WeakPolarHBondContact O-CG 3.48Å; E270-Q274 PolarHBondContact O-N 2.97Å; E271-Q274 PolarHBondContact O-N 2.82Å; Q274-T276 PolarHBondContact O-N 2.88Å
275	S	26.4	Very low	32.4	Very low	95 Å²	95	111.8 Å²	111.8	66%	0.664	62%	0.616	S	S	*	*	S	Bend	trans	-100.9	39	-165.4	-61.5	0	0	0	0	116.2	I273	I273-S275 VanDerWaalsContact C-N 3.28Å; I273-S275 PolarHBondContact O-N 2.91Å
276	T	28.6	Very low	32.9	Very low	127 Å²	127	109.8 Å²	109.8	78%	0.779	61%	0.611	S	S	*	*	S	Bend	trans	-157.5	-18.7	163.1	-14.5	0	0	0	0	116.5	Q274 S278	Q274-T276 PolarHBondContact O-N 2.88Å; T276-S278 PolarHBondContact O-N 3.37Å
277	V	28.7	Very low	33.6	Very low	86 Å²	86	103 Å²	103	52%	0.521	58%	0.578	S	S	.	*			trans	-85.2	55.9	-174.3	-164.4	0	0	0	0	112.1	T279 R577	V277-T279 PolarHBondContact O-N 3.35Å; V277-T279 VanDerWaalsContact O-N 3.11Å; V277-R577 PolarHBondContact O-NH2 2.8Å
278	S	26.7	Very low	34.8	Very low	80 Å²	80	98 Å²	98	56%	0.559	55%	0.546	S	S	*	.			trans	-84.4	78.9	-171.5	-64.8	0	0	0	0	113.5	T276 T281	T276-S278 PolarHBondContact O-N 3.37Å; S278-T281 PolarHBondContact O-OG1 2.92Å
279	T	27.7	Very low	35.2	Very low	113 Å²	113	94.1 Å²	94.1	69%	0.693	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	179	163.8	69.8	0	0	0	0	116.8	V277 T281	V277-T279 PolarHBondContact O-N 3.35Å; V277-T279 VanDerWaalsContact O-N 3.11Å; T279-T281 PolarHBondContact O-N 2.79Å; T279-T281 VanDerWaalsContact O-N 3.11Å; T279-T281 WeakPolarHBondContact OG1-CG2 3.49Å; T279-T281 PolarHBondContact OG1-N 3.39Å
280	T	28.5	Very low	35.5	Very low	78 Å²	78	93.8 Å²	93.8	48%	0.479	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	48.6	165	36.9	0	0	0	0	111.5	T282	T280-T282 PolarHBondContact O-N 3.13Å
281	T	30.1	Very low	35.4	Very low	82 Å²	82	91.7 Å²	91.7	50%	0.503	52%	0.517	S	S	.	.			trans	-67.6	123.2	171.4	33.9	0	0	0	0	110.7	S278 T279 I283	S278-T281 PolarHBondContact O-OG1 2.92Å; T279-T281 PolarHBondContact O-N 2.79Å; T279-T281 VanDerWaalsContact O-N 3.11Å; T279-T281 WeakPolarHBondContact OG1-CG2 3.49Å; T279-T281 PolarHBondContact OG1-N 3.39Å; T281-I283 PolarHBondContact O-N 3.04Å
282	T	37.6	Very low	35.4	Very low	95 Å²	95	93.2 Å²	93.2	58%	0.583	52%	0.522	S	S	*	.			trans	-71.6	65.6	176.1	-44.2	0	0	0	0	111.6	T280 A284	T280-T282 PolarHBondContact O-N 3.13Å; T282-A284 PolarHBondContact O-N 3.44Å
283	I	34.8	Very low	35.3	Very low	146 Å²	146	94.9 Å²	94.9	75%	0.749	53%	0.53	S	S	*	.			trans	-74.6	70.3	169.6	-49.6	-178.4	0	0	0	108.2	T281 H285	T281-I283 PolarHBondContact O-N 3.04Å; I283-H285 PolarHBondContact O-N 3.39Å
284	A	39.5	Very low	35	Very low	28 Å²	28	92 Å²	92	23%	0.231	53%	0.533	C	S	.	.			trans	-61.1	122.9	166.2	0	0	0	0	0	107.8	T282 S289	T282-A284 PolarHBondContact O-N 3.44Å; A284-S289 VanDerWaalsContact O-CB 3.28Å; A284-S289 WeakPolarHBondContact O-CB 3.36Å; A284-S289 PolarHBondContact O-OG 2.92Å
285	H	46.2	Very low	35.1	Very low	47 Å²	47	91.6 Å²	91.6	22%	0.218	54%	0.538	C	S	.	.			trans	-47.4	146	179	-177.6	-94.3	0	0	0	111.1	I283 Y287 Y288 S289 R452	I283-H285 PolarHBondContact O-N 3.39Å; H285-Y287 WeakPolarHBondContact ND1-CB 3.32Å; H285-Y287 PolarHBondContact ND1-N 3.17Å; H285-Y287 PolarHBondContact O-N 2.91Å; H285-Y288 HydrophobicContact CB-CD2 4.39Å; H285-Y288 PolarHBondContact O-N 2.98Å; H285-S289 PolarHBondContact O-N 3.21Å; H285-R452 PolarHBondContact CE1-NH1 2.83Å; H285-R452 PolarHBondContact ND1-NH1 3.33Å; H285-R452 VanDerWaalsContact ND1-NH1 3.18Å
286	P	37	Very low	35.4	Very low	105 Å²	105	96.9 Å²	96.9	68%	0.682	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-27.5	-178.2	-34.2	37.9	0	0	0	116.3	Y288	P286-Y288 VanDerWaalsContact C-N 3.35Å; P286-Y288 PolarHBondContact O-N 3.34Å
287	Y	48	Very low	35.6	Very low	40 Å²	40	101.5 Å²	101.5	16%	0.157	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-30.4	173.1	-168.7	-118.2	0	0	0	115	H285 R448 R452 L533 P535	H285-Y287 WeakPolarHBondContact ND1-CB 3.32Å; H285-Y287 PolarHBondContact ND1-N 3.17Å; H285-Y287 PolarHBondContact O-N 2.91Å; Y287-R448 HydrophobicContact CE2-CB 4.15Å; Y287-R452 HydrophobicContact CD1-CG 4.13Å; Y287-R452 HydrophobicContact CD2-CB 4.14Å; Y287-R452 HydrophobicContact CD2-CG 4.4Å; Y287-R452 HydrophobicContact CE1-CB 4.28Å; Y287-R452 HydrophobicContact CE1-CG 3.83Å; Y287-R452 HydrophobicContact CE2-CB 3.69Å; Y287-R452 HydrophobicContact CE2-CG 4.13Å; Y287-R452 HydrophobicContact CG-CG 4.4Å; Y287-L533 WeakPolarHBondContact CE1-O 3.15Å; Y287-L533 PolarHBondContact OH-O 3.26Å; Y287-P535 HydrophobicContact CD1-CG 4.18Å; Y287-P535 VanDerWaalsContact CE1-CD 3.48Å; Y287-P535 HydrophobicContact CE1-CG 3.93Å
288	Y	53	Low	35.6	Very low	15 Å²	15	108.8 Å²	108.8	6%	0.059	57%	0.57	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103.1	-26.4	176.1	-66.4	-84.4	0	0	0	112.7	H285 P286 P535 E612 R614	H285-Y288 HydrophobicContact CB-CD2 4.39Å; H285-Y288 PolarHBondContact O-N 2.98Å; P286-Y288 VanDerWaalsContact C-N 3.35Å; P286-Y288 PolarHBondContact O-N 3.34Å; Y288-P535 HydrophobicContact CD1-CB 4.08Å; Y288-P535 HydrophobicContact CD1-CG 3.6Å; Y288-P535 HydrophobicContact CE1-CB 4.01Å; Y288-P535 HydrophobicContact CE1-CG 3.22Å; Y288-P535 HydrophobicContact CG-CG 4.47Å; Y288-E612 VanDerWaalsContact CE1-OE2 3.3Å; Y288-E612 WeakPolarHBondContact CE1-OE2 3.41Å; Y288-E612 PolarHBondContact OH-O 2.73Å; Y288-E612 PolarHBondContact OH-OE2 3.12Å; Y288-R614 HydrophobicContact CD1-CG 4.47Å; Y288-R614 HydrophobicContact CD2-CG 4.15Å; Y288-R614 VanDerWaalsContact CE1-CD 3.42Å; Y288-R614 HydrophobicContact CE1-CG 4.05Å; Y288-R614 HydrophobicContact CE2-CG 3.7Å
289	S	42.6	Very low	35.6	Very low	52 Å²	52	110.7 Å²	110.7	36%	0.364	58%	0.583	S	S	.	*	S	Bend	trans	-72.7	161.3	179.7	-100.8	0	0	0	0	113.4	A284 H285	A284-S289 VanDerWaalsContact O-CB 3.28Å; A284-S289 WeakPolarHBondContact O-CB 3.36Å; A284-S289 PolarHBondContact O-OG 2.92Å; H285-S289 PolarHBondContact O-N 3.21Å
290	R	40.4	Very low	35.7	Very low	138 Å²	138	109.6 Å²	109.6	52%	0.521	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-75	138.5	171.3	-65.2	176.9	174.1	-178.5	-1	109.7	K292	R290-K292 PolarHBondContact O-N 2.84Å
291	P	32	Very low	35.9	Very low	104 Å²	104	115.5 Å²	115.5	68%	0.675	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-54.3	122.2	151.6	-22.1	33.6	0	0	0	109	I293	P291-I293 VanDerWaalsContact C-N 3.26Å; P291-I293 PolarHBondContact O-N 3.11Å
292	K	33.9	Very low	35.8	Very low	171 Å²	171	116 Å²	116	74%	0.743	61%	0.606	S	S	*	*			trans	-74.6	77.1	175.7	-69.9	-176.8	-172.3	169.8	0	109.7	R290 G294 N395	R290-K292 PolarHBondContact O-N 2.84Å; K292-G294 VanDerWaalsContact C-N 3.28Å; K292-G294 PolarHBondContact O-N 2.68Å; K292-N395 PolarHBondContact NZ-OD1 2.97Å
293	I	32.9	Very low	35.4	Very low	147 Å²	147	119.9 Å²	119.9	75%	0.754	62%	0.618	S	S	*	*			trans	-71.3	90.1	169.9	-53.5	-179.6	0	0	0	108	P291 V295	P291-I293 VanDerWaalsContact C-N 3.26Å; P291-I293 PolarHBondContact O-N 3.11Å; I293-V295 VanDerWaalsContact C-N 3.29Å; I293-V295 HydrophobicContact CG2-CG2 4.05Å; I293-V295 PolarHBondContact O-N 2.83Å
294	G	29.1	Very low	35.1	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	62%	0.619	S	S	*	*			trans	-76.5	66.3	-173.8	0	0	0	0	0	113.8	K292 K296	K292-G294 VanDerWaalsContact C-N 3.28Å; K292-G294 PolarHBondContact O-N 2.68Å; G294-K296 PolarHBondContact O-N 3.34Å
295	V	32.9	Very low	34.7	Very low	105 Å²	105	122 Å²	122	64%	0.636	64%	0.644	S	S	*	*			trans	-69.4	97.5	172.3	-172.8	0	0	0	0	109.5	I293 R297	I293-V295 VanDerWaalsContact C-N 3.29Å; I293-V295 HydrophobicContact CG2-CG2 4.05Å; I293-V295 PolarHBondContact O-N 2.83Å; V295-R297 VanDerWaalsContact C-N 3.27Å; V295-R297 HydrophobicContact CG1-CG 4.02Å; V295-R297 PolarHBondContact O-N 3.43Å
296	K	33.8	Very low	34.2	Very low	205 Å²	205	125.6 Å²	125.6	89%	0.891	67%	0.669	S	S	*	*			trans	-63.5	85.4	166.1	-78	-177.2	176.7	174.6	0	109.7	G294 R298	G294-K296 PolarHBondContact O-N 3.34Å; K296-R298 PolarHBondContact O-N 3.22Å; K296-R298 VanDerWaalsContact O-N 3.16Å
297	R	31.8	Very low	33.9	Very low	225 Å²	225	128.4 Å²	128.4	85%	0.849	68%	0.678	S	S	*	*			trans	-70.8	105.3	168.5	-74.5	-173.8	171.3	155.2	-3.1	109.2	V295	V295-R297 VanDerWaalsContact C-N 3.27Å; V295-R297 HydrophobicContact CG1-CG 4.02Å; V295-R297 PolarHBondContact O-N 3.43Å
298	R	29.9	Very low	33.3	Very low	239 Å²	239	130.3 Å²	130.3	90%	0.902	69%	0.694	S	S	*	*			trans	-61.7	140.5	159.4	-80.1	-174.8	169.8	-131.4	0.7	108.7	K296	K296-R298 PolarHBondContact O-N 3.22Å; K296-R298 VanDerWaalsContact O-N 3.16Å
299	S	26.7	Very low	32.3	Very low	120 Å²	120	140.4 Å²	140.4	84%	0.839	74%	0.739	S	S	*	*			trans	-99.6	87.1	-177.9	53.3	0	0	0	0	111.3
300	S	29.2	Very low	31.9	Very low	90 Å²	90	144.5 Å²	144.5	63%	0.629	75%	0.752	S	S	*	*			trans	-165.8	163.8	160.3	51.9	0	0	0	0	111.3
301	F	32.1	Very low	31.6	Very low	202 Å²	202	147 Å²	147	89%	0.886	77%	0.769	S	S	*	*			trans	74.6	146.1	176.9	-64.3	-78.2	0	0	0	118.2
302	S	27.7	Very low	31.4	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	77%	0.771	S	S	*	*			trans	-103.2	-172.6	-167.8	46.4	0	0	0	0	111.4
303	E	29.1	Very low	31.4	Very low	177 Å²	177	148.4 Å²	148.4	83%	0.827	78%	0.776	S	S	*	*			trans	77.1	135.1	160.7	-67.1	178.9	119.3	0	0	119.4
304	S	28.9	Very low	31.4	Very low	109 Å²	109	147 Å²	147	76%	0.762	78%	0.776	S	S	*	*			trans	-20.7	131.7	162.9	49.9	0	0	0	0	118.8
305	S	31.7	Very low	31.4	Very low	110 Å²	110	155.5 Å²	155.5	77%	0.769	79%	0.787	S	S	*	*				-147.5	159.4	109.6	-166.3	0	0	0	0	110.7
306	V	34.9	Very low	31.5	Very low	121 Å²	121	159.8 Å²	159.8	73%	0.733	80%	0.8	S	S	*	*			trans	-130.1	112.9	176.3	-170.7	0	0	0	0	108.1
307	D	32.4	Very low	31.2	Very low	165 Å²	165	159.6 Å²	159.6	88%	0.882	80%	0.799	S	S	*	*			trans	-100.9	137.3	174.7	-108.2	-50	0	0	0	112
308	T	34.8	Very low	31.1	Very low	80 Å²	80	153.8 Å²	153.8	49%	0.491	79%	0.793	S	S	.	*			trans	-136.2	125.7	-158.8	-62.3	0	0	0	0	111.2	H310	T308-H310 PolarHBondContact O-N 3.08Å; T308-H310 VanDerWaalsContact O-N 3.12Å
309	F	31.3	Very low	31.1	Very low	226 Å²	226	147.9 Å²	147.9	99%	0.991	78%	0.783	S	S	*	*			trans	-76.9	97.7	162.5	-93.6	-81.2	0	0	0	109.7
310	H	33.5	Very low	31	Very low	138 Å²	138	148.3 Å²	148.3	64%	0.639	78%	0.781	S	S	*	*			trans	-79.2	144.8	-176	-114.7	-71.6	0	0	0	112.9	T308 I312	T308-H310 PolarHBondContact O-N 3.08Å; T308-H310 VanDerWaalsContact O-N 3.12Å; H310-I312 HydrophobicContact CB-CG1 4.34Å
311	Q	34.6	Very low	31.1	Very low	190 Å²	190	153 Å²	153	89%	0.888	79%	0.79	S	S	*	*			trans	-119	160.5	134.2	-95.1	-175.5	-5.9	0	0	109.3
312	I	29.2	Very low	30.7	Very low	140 Å²	140	152.4 Å²	152.4	72%	0.718	79%	0.79	S	S	*	*			trans	-128.2	123.4	-150.9	-59.1	161.7	0	0	0	110.9	H310	H310-I312 HydrophobicContact CB-CG1 4.34Å
313	I	32.9	Very low	30.9	Very low	165 Å²	165	159.7 Å²	159.7	85%	0.846	80%	0.804	S	S	*	*			trans	-137.3	137	157.5	-63.4	-173	0	0	0	106.7
314	P	33.1	Very low	31	Very low	117 Å²	117	157.6 Å²	157.6	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-91.8	158.4	-152.8	34.7	-37.5	0	0	0	116.1
315	R	28.1	Very low	30.9	Very low	249 Å²	249	157.2 Å²	157.2	94%	0.94	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.8	138.8	165.8	-76.8	174.4	158.5	155	-7.2	111.3
316	Q	34.9	Very low	31.1	Very low	195 Å²	195	156.7 Å²	156.7	91%	0.911	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-103.4	157.8	150.7	-81.6	-172.9	-46.7	0	0	110.7
317	K	28.4	Very low	31	Very low	202 Å²	202	157.5 Å²	157.5	88%	0.878	80%	0.803	S	S	*	*			trans	-83.2	175.6	174	-51.9	171.9	-177.2	174.8	0	107.5
318	S	29	Very low	31.2	Very low	102 Å²	102	156.6 Å²	156.6	71%	0.713	80%	0.797	S	S	*	*			cis	-176.5	160.5	31.5	47.8	0	0	0	0	112.8
319	V	30.8	Very low	31.2	Very low	115 Å²	115	158 Å²	158	70%	0.697	81%	0.805	S	S	*	*			trans	74.9	126.1	144.2	164.5	0	0	0	0	119.6	F321	V319-F321 HydrophobicContact CG1-CD2 3.74Å; V319-F321 HydrophobicContact CG1-CE2 3.63Å
320	T	24.9	Very low	31.4	Very low	129 Å²	129	154 Å²	154	79%	0.791	79%	0.794	S	S	*	*			trans	-71.3	143.3	166.6	-47.1	0	0	0	0	112
321	F	30.3	Very low	31.8	Very low	190 Å²	190	155.9 Å²	155.9	83%	0.833	80%	0.803	S	S	*	*			trans	-141.3	139	155.3	-93.7	-76.6	0	0	0	111.4	V319	V319-F321 HydrophobicContact CG1-CD2 3.74Å; V319-F321 HydrophobicContact CG1-CE2 3.63Å
322	Q	24.9	Very low	32	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	80%	0.798	S	S	*	*			trans	-70.7	159.3	163.4	-65.8	163.8	-82.5	0	0	109.7
323	R	31.6	Very low	32.2	Very low	246 Å²	246	154.1 Å²	154.1	93%	0.928	81%	0.805	S	S	*	*			trans	-131.3	131.7	159.6	-158.1	170.3	-165.7	157.5	5	110.2
324	T	30	Very low	32.5	Very low	133 Å²	133	153 Å²	153	82%	0.816	81%	0.806	S	S	*	*			trans	-76.6	156.9	176.6	46.7	0	0	0	0	111.3
325	A	27.1	Very low	32.5	Very low	101 Å²	101	153.7 Å²	153.7	84%	0.835	80%	0.803	S	S	*	*			trans	-78	148.7	177	0	0	0	0	0	112.7
326	S	35.7	Very low	33.1	Very low	99 Å²	99	151.5 Å²	151.5	69%	0.692	80%	0.801	S	S	*	*			trans	-170.9	119.2	141.4	57.3	0	0	0	0	110.5
327	D	33.8	Very low	33	Very low	138 Å²	138	147.6 Å²	147.6	74%	0.738	79%	0.786	S	S	*	*			trans	73.7	116.8	138	-53.7	-10.2	0	0	0	123.1
328	I	35.4	Very low	33.7	Very low	146 Å²	146	148.3 Å²	148.3	75%	0.749	79%	0.785	S	S	*	*				66.2	132.1	119.4	-60.6	168.4	0	0	0	117.6
329	T	36.3	Very low	34.1	Very low	109 Å²	109	149 Å²	149	67%	0.669	78%	0.78	S	S	*	*			cis	-144.5	152.9	12.6	0.1	0	0	0	0	111.9
330	D	35.7	Very low	34.4	Very low	142 Å²	142	149.9 Å²	149.9	76%	0.759	78%	0.781	S	S	*	*			trans	27.6	150.5	130.8	-40.4	-17.8	0	0	0	121
331	E	40.1	Very low	35.1	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	78%	0.782	S	S	*	*			cis	-156.4	172.2	38.7	-116.1	-160.5	-131.4	0	0	115.5
332	S	39.6	Very low	35.7	Very low	112 Å²	112	150.8 Å²	150.8	78%	0.783	78%	0.784	S	S	*	*			trans	82.4	101.1	159.4	69.8	0	0	0	0	120.2
333	E	33.9	Very low	36.2	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	78%	0.776	S	S	*	*			trans	-99.9	165.1	166.2	-54.4	170.4	142.3	0	0	110.8
334	T	39.8	Very low	36.3	Very low	142 Å²	142	142.5 Å²	142.5	87%	0.871	77%	0.772	S	S	*	*			trans	-143.6	110.3	141.3	54.1	0	0	0	0	108.7
335	D	32.3	Very low	36.5	Very low	131 Å²	131	140.8 Å²	140.8	70%	0.701	76%	0.763	S	S	*	*			trans	-103.9	155.4	-178.6	-160.3	11.3	0	0	0	111.5
336	F	40.4	Very low	36.4	Very low	203 Å²	203	142 Å²	142	89%	0.89	76%	0.76	S	S	*	*			trans	-151.3	95.3	168.4	-92.2	-68.6	0	0	0	109.8
337	N	32.6	Very low	36.1	Very low	112 Å²	112	143.1 Å²	143.1	60%	0.599	77%	0.769	S	S	*	*			trans	-103.4	153.7	170.8	-173.3	35.2	0	0	0	110.7	N339	N337-N339 PolarHBondContact ND2-OD1 3.02Å
338	Y	44	Very low	36	Very low	218 Å²	218	142.1 Å²	142.1	86%	0.855	77%	0.772	S	S	*	*			trans	-139.4	135.2	166.8	-118.2	-84.5	0	0	0	108.4
339	N	35.7	Very low	35.8	Very low	115 Å²	115	143.6 Å²	143.6	62%	0.615	78%	0.776	S	S	*	*			trans	-95.8	-161.6	-165.4	-64.4	-23	0	0	0	112.5	N337	N337-N339 PolarHBondContact ND2-OD1 3.02Å
340	D	39.1	Very low	35.6	Very low	134 Å²	134	148.5 Å²	148.5	72%	0.717	79%	0.788	S	S	*	*			trans	84.8	88.7	163.6	-45.6	-12	0	0	0	112
341	D	39	Very low	35.1	Very low	151 Å²	151	146.3 Å²	146.3	81%	0.807	78%	0.784	S	S	*	*				85.6	124.9	67.6	-74.7	-16.3	0	0	0	112.5
342	E	42.3	Very low	34.7	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	78%	0.783	S	S	*	*			trans	-170.7	150	131.1	-103.1	-59.7	176.3	0	0	109.8
343	D	36.2	Very low	34	Very low	136 Å²	136	145.7 Å²	145.7	73%	0.727	78%	0.782	S	S	*	*			trans	-113.3	155.8	-162.6	-135.4	-28.4	0	0	0	112.2
344	C	32.3	Very low	33.9	Very low	125 Å²	125	148.5 Å²	148.5	85%	0.845	79%	0.786	S	S	*	*			trans	-177.1	143	138	-101.3	0	0	0	0	113.8
345	P	34.1	Very low	33.3	Very low	97 Å²	97	150 Å²	150	63%	0.63	78%	0.783	S	S	*	*			trans	-127.6	156.6	-160.3	42.1	-26.4	0	0	0	117
346	T	26.4	Very low	32.9	Very low	125 Å²	125	153.4 Å²	153.4	77%	0.767	79%	0.788	S	S	*	*			trans	42.6	149.8	142	60.7	0	0	0	0	124
347	S	28.5	Very low	32.3	Very low	124 Å²	124	151.9 Å²	151.9	87%	0.867	79%	0.788	S	S	*	*			trans	79.9	151.7	166.6	84.4	0	0	0	0	115.3
348	S	32.4	Very low	32.3	Very low	117 Å²	117	151.4 Å²	151.4	82%	0.818	79%	0.791	S	S	*	*			cis	-123.7	169.6	14.8	60	0	0	0	0	115.5
349	E	30.6	Very low	31.5	Very low	176 Å²	176	148.6 Å²	148.6	82%	0.822	79%	0.786	S	S	*	*			trans	-78.4	153.4	173.1	-53.3	164.7	117.1	0	0	111.3
350	F	33.2	Very low	31.1	Very low	212 Å²	212	152.3 Å²	152.3	93%	0.93	79%	0.791	S	S	*	*			trans	-152.7	132.3	132.1	-127.3	-79.8	0	0	0	111.5
351	S	24.9	Very low	30.5	Very low	97 Å²	97	152.6 Å²	152.6	68%	0.678	79%	0.788	S	S	*	*			trans	-102.1	138.4	177.3	179.8	0	0	0	0	110.6
352	S	31.6	Very low	30.2	Very low	114 Å²	114	155.1 Å²	155.1	80%	0.797	79%	0.792	S	S	*	*			trans	-152.7	135	143.7	43	0	0	0	0	110.3
353	Q	25.7	Very low	29.5	Very low	161 Å²	161	154.5 Å²	154.5	75%	0.752	79%	0.789	S	S	*	*			trans	-76.8	154.8	171.6	-59.4	147.3	-79.4	0	0	109.3
354	Y	30.9	Very low	29.1	Very low	241 Å²	241	151 Å²	151	95%	0.945	79%	0.785	S	S	*	*			trans	-146.1	162.1	130.9	-108.3	-72	0	0	0	110.2
355	E	26.9	Very low	29.1	Very low	173 Å²	173	153.1 Å²	153.1	81%	0.808	79%	0.788	S	S	*	*			trans	-116.8	176.4	-143.3	-160.8	164.4	-176.7	0	0	113.5
356	Y	23.9	Very low	28.9	Very low	204 Å²	204	157.6 Å²	157.6	80%	0.8	80%	0.797	S	S	*	*			trans	-55.5	150.8	171.9	-95.6	-117.3	0	0	0	112.6
357	L	29	Very low	29.2	Very low	171 Å²	171	159.6 Å²	159.6	90%	0.895	80%	0.802	S	S	*	*				-176.2	140	114.3	-97.3	170.4	0	0	0	112.1
358	P	32.2	Very low	29.1	Very low	102 Å²	102	159.4 Å²	159.4	66%	0.662	80%	0.795	S	S	*	*			trans	-114.3	120.3	173.5	36.1	-25.1	0	0	0	113.7
359	E	27.3	Very low	29.2	Very low	159 Å²	159	165.2 Å²	165.2	74%	0.743	80%	0.799	S	S	*	*			trans	-171.8	162.2	170.5	-108	-160.9	176.9	0	0	109.4
360	R	27.6	Very low	29.2	Very low	192 Å²	192	165 Å²	165	73%	0.725	80%	0.796	S	S	*	*			cis	-158.7	-175.1	-15.2	-146.6	177.8	177.3	140	-9.4	109.5
361	E	25.6	Very low	29	Very low	140 Å²	140	161.6 Å²	161.6	65%	0.654	78%	0.784	S	S	*	*			trans	-69.1	154.8	-174.9	-54.3	147	91.8	0	0	116.6
362	K	32.7	Very low	29.4	Very low	204 Å²	204	163.4 Å²	163.4	89%	0.887	79%	0.786	S	S	*	*			trans	-164.1	129.4	143.7	-99.4	154.4	-172.6	177.2	0	107.2
363	H	27.4	Very low	29.5	Very low	175 Å²	175	162.3 Å²	162.3	81%	0.81	78%	0.779	S	S	*	*			cis	70.9	125.4	39.4	-88	95.5	0	0	0	115.6
364	G	27.5	Very low	29.5	Very low	63 Å²	63	163.4 Å²	163.4	65%	0.649	78%	0.784	S	S	*	*			trans	103.9	134.9	-174.4	0	0	0	0	0	112.3
365	D	33	Very low	29.6	Very low	169 Å²	169	157.2 Å²	157.2	90%	0.904	78%	0.776	S	S	*	*			cis	-147.7	162.3	1.1	-94.4	-39.8	0	0	0	113.7
366	K	30.4	Very low	29.7	Very low	191 Å²	191	154.7 Å²	154.7	83%	0.83	78%	0.778	S	S	*	*			trans	-93.9	142.7	173.2	-64.5	172.4	179	174.1	0	110.6
367	I	32.6	Very low	30.1	Very low	167 Å²	167	148 Å²	148	86%	0.856	77%	0.771	S	S	*	*			trans	-124.2	121.8	160.1	-63.3	-177.5	0	0	0	109.3
368	T	26.4	Very low	30.3	Very low	120 Å²	120	147.5 Å²	147.5	74%	0.736	77%	0.769	S	S	*	*			trans	-122.8	119.4	-176.7	52	0	0	0	0	111.6
369	R	33.8	Very low	30.4	Very low	238 Å²	238	147.1 Å²	147.1	90%	0.898	77%	0.769	S	S	*	*			trans	-143.1	105.9	157.9	-63.8	-174.8	178.5	168.5	-0.2	106.5
370	K	31.3	Very low	30.5	Very low	173 Å²	173	148.1 Å²	148.1	75%	0.752	77%	0.773	S	S	*	*				77.1	118.7	71.4	-93.4	-163	158.5	-146.8	0	113.6
371	M	28.4	Very low	30.8	Very low	140 Å²	140	146.9 Å²	146.9	69%	0.69	78%	0.78	S	S	*	*			trans	71.6	134.8	134.4	-72.5	166.4	148.7	0	0	116.8
372	D	33.5	Very low	31.1	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	78%	0.777	S	S	*	*			cis	-148.8	160.1	13.6	-83.2	-46.7	0	0	0	115.8
373	S	32.6	Very low	31.2	Very low	91 Å²	91	141.6 Å²	141.6	64%	0.636	77%	0.773	S	S	*	*			trans	28.4	121.2	149.6	67.4	0	0	0	0	125.6
374	E	27.2	Very low	31.5	Very low	184 Å²	184	142.1 Å²	142.1	86%	0.86	77%	0.773	S	S	*	*				57.2	112.3	117	-59.2	175.6	155.2	0	0	123.6
375	S	32.4	Very low	31.7	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	78%	0.775	S	S	*	*				-179	123.2	118.4	29.8	0	0	0	0	108.2
376	S	29.8	Very low	31.6	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	77%	0.768	S	S	*	*				77.3	96.6	51.6	78.9	0	0	0	0	113.7
377	G	32.7	Very low	31.6	Very low	64 Å²	64	140.7 Å²	140.7	66%	0.66	76%	0.763	S	S	*	*			trans	165.7	97.3	172.9	0	0	0	0	0	113.4
378	D	32.2	Very low	31.5	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	76%	0.758	S	S	*	*			trans	53	143.4	143.6	-46.1	-16.6	0	0	0	120.8
379	S	34.2	Very low	31.5	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	75%	0.754	S	S	*	*			cis	-166.6	158.7	-14	-103.8	0	0	0	0	110.1
380	E	29.7	Very low	31.2	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	75%	0.747	S	S	*	*			trans	41.3	91.1	152.7	-60.1	-179.3	157.2	0	0	118.8
381	L	33	Very low	31	Very low	166 Å²	166	130.6 Å²	130.6	87%	0.869	74%	0.743	S	S	*	*			trans	-175.9	-3.9	145.9	-107.5	165.7	0	0	0	116.3
382	S	31.8	Very low	31	Very low	83 Å²	83	130.5 Å²	130.5	58%	0.58	75%	0.746	S	S	*	*			trans	-69.2	-32.9	-172	37.5	0	0	0	0	116	F384	S382-F384 PolarHBondContact O-N 3.17Å
383	D	35.5	Very low	30.8	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	24.4	-153.8	-57.9	9.3	0	0	0	114.9
384	F	33.5	Very low	30.8	Very low	187 Å²	187	135.1 Å²	135.1	82%	0.82	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-2.5	-177.9	-157.1	-101.7	0	0	0	114.4	S382	S382-F384 PolarHBondContact O-N 3.17Å
385	L	30.9	Very low	30.8	Very low	131 Å²	131	130.7 Å²	130.7	69%	0.686	74%	0.739	S	S	*	*	S	Bend	trans	-104.3	-14.2	-172.9	-71.3	174.1	0	0	0	116.1
386	D	31.5	Very low	30.5	Very low	143 Å²	143	132.1 Å²	132.1	77%	0.765	74%	0.738	S	S	*	*	S	Bend	trans	-88.5	-1	-175.2	-71.3	-39.5	0	0	0	115.5
387	T	31.7	Very low	30.4	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	73%	0.73	S	S	*	*	S	Bend	trans	-95.3	0.6	-163.9	-36.6	0	0	0	0	115.1
388	I	28.8	Very low	30.2	Very low	146 Å²	146	138.5 Å²	138.5	75%	0.749	74%	0.742	S	S	*	*			trans	-132.3	68.3	-175	-44.3	-177.3	0	0	0	112.5
389	I	26.2	Very low	30	Very low	129 Å²	129	137 Å²	137	66%	0.662	74%	0.743	S	S	*	*			trans	-118.8	103.9	168.5	-49.5	177.7	0	0	0	110.2	S391	I389-S391 VanDerWaalsContact C-N 3.29Å; I389-S391 VanDerWaalsContact CG2-OG 3.28Å; I389-S391 WeakPolarHBondContact CG2-OG 3.49Å; I389-S391 PolarHBondContact O-N 3.4Å
390	P	28.7	Very low	29.8	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	74%	0.74	S	S	*	*			trans	-77.9	76.5	166.4	-14.1	31.2	0	0	0	111	D392	P390-D392 PolarHBondContact O-N 2.84Å; P390-D392 VanDerWaalsContact O-N 3.17Å
391	S	26	Very low	29.7	Very low	97 Å²	97	136.1 Å²	136.1	68%	0.678	74%	0.743	S	S	*	*			trans	-74.5	96.6	173.4	-70.7	0	0	0	0	111.1	I389	I389-S391 VanDerWaalsContact C-N 3.29Å; I389-S391 VanDerWaalsContact CG2-OG 3.28Å; I389-S391 WeakPolarHBondContact CG2-OG 3.49Å; I389-S391 PolarHBondContact O-N 3.4Å
392	D	30.2	Very low	29.5	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	74%	0.737	S	S	*	*			trans	-123	44.8	178.5	-98.3	-43	0	0	0	113.3	P390 L394	P390-D392 PolarHBondContact O-N 2.84Å; P390-D392 VanDerWaalsContact O-N 3.17Å; D392-L394 PolarHBondContact O-N 3Å
393	E	29.1	Very low	29.5	Very low	193 Å²	193	134.2 Å²	134.2	90%	0.902	74%	0.743	S	S	*	*			trans	-77.1	56.6	156.8	-79.6	-141.2	116.8	0	0	111.6
394	L	31	Very low	29.4	Very low	130 Å²	130	135.6 Å²	135.6	68%	0.681	75%	0.745	S	S	*	*			trans	-110.1	92.3	172	-87.9	169	0	0	0	111.8	D392	D392-L394 PolarHBondContact O-N 3Å
395	N	27.3	Very low	29.4	Very low	91 Å²	91	132.8 Å²	132.8	49%	0.487	74%	0.739	S	S	.	*			trans	-107.5	131.7	157.6	-62.7	-121.1	0	0	0	106.6	K292	K292-N395 PolarHBondContact NZ-OD1 2.97Å
396	N	26.9	Very low	29.5	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	74%	0.743	S	S	*	*	S	Bend	trans	81.7	177.9	-173.8	-40.7	-58.6	0	0	0	114.9
397	E	28.4	Very low	29.6	Very low	148 Å²	148	133.2 Å²	133.2	69%	0.692	75%	0.745	S	S	*	*			trans	66.8	42.8	-177	-52.7	-47.7	105.9	0	0	118.6
398	L	28	Very low	29.6	Very low	171 Å²	171	132.1 Å²	132.1	90%	0.895	74%	0.743	S	S	*	*			trans	-141.3	63.1	156.8	-84.1	-175.9	0	0	0	112.4
399	S	27.3	Very low	29.8	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	74%	0.742	S	S	*	*	S	Bend	trans	-165.7	59.3	165.1	-79.6	0	0	0	0	112.3
400	S	29.5	Very low	30.2	Very low	85 Å²	85	133.6 Å²	133.6	59%	0.594	75%	0.745	S	S	*	*			trans	-148.1	114	173.6	34.5	0	0	0	0	111.8
401	L	29	Very low	30.5	Very low	172 Å²	172	134.2 Å²	134.2	90%	0.901	74%	0.739	S	S	*	*			trans	54.1	94.6	150.5	-55.7	173.5	0	0	0	117.9
402	S	27.2	Very low	30.8	Very low	106 Å²	106	136 Å²	136	74%	0.741	74%	0.74	S	S	*	*			trans	-97.2	161.5	138.1	61.7	0	0	0	0	109.3
403	S	32.2	Very low	31	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	74%	0.743	S	S	*	*			trans	90.4	138.1	169.3	-40.8	0	0	0	0	117.9
404	Q	33.5	Very low	31.2	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	73%	0.728	S	S	*	*			trans	68.4	107.8	169.5	-55.3	-179.5	-81.1	0	0	115.6
405	D	34.4	Very low	31.4	Very low	128 Å²	128	131.7 Å²	131.7	68%	0.684	73%	0.725	S	S	*	*			cis	85.7	99.8	49.5	-75.7	-69.2	0	0	0	115.4
406	Q	32.3	Very low	31.7	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	74%	0.735	S	S	*	*			trans	63.3	137.3	131.4	-61.7	-179.6	67.4	0	0	121.3
407	S	33.7	Very low	32	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	74%	0.738	S	S	*	*			trans	68.6	152	165.5	79.5	0	0	0	0	117.3
408	S	31.4	Very low	32	Very low	95 Å²	95	141 Å²	141	66%	0.664	74%	0.744	S	S	*	*			cis	-173.1	154.9	-41.6	49.9	0	0	0	0	108.3
409	N	34.1	Very low	32.2	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	74%	0.737	S	S	*	*			trans	68.3	102.4	158.7	-61.1	-26	0	0	0	119.9
410	K	34.6	Very low	32.4	Very low	167 Å²	167	143.3 Å²	143.3	73%	0.726	74%	0.736	S	S	*	*				74.9	136.9	114.9	-81.6	-177.2	154.9	-140.8	0	123
411	E	33.8	Very low	32.4	Very low	128 Å²	128	147.9 Å²	147.9	60%	0.598	75%	0.747	S	S	*	*			trans	83.2	99.3	136.5	-72.9	165.1	-163.3	0	0	121.3
412	N	33.8	Very low	32.7	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	74%	0.736	S	S	*	*				70.2	130.8	121.2	-59.1	-11.2	0	0	0	122.1
413	H	33.5	Very low	33	Very low	173 Å²	173	148.9 Å²	148.9	80%	0.801	74%	0.738	S	S	*	*			trans	37.4	140.3	134.3	-69.3	-89.4	0	0	0	121.6
414	S	33.4	Very low	32.8	Very low	82 Å²	82	153.1 Å²	153.1	57%	0.573	74%	0.743	S	S	*	*			cis	-171	179.9	-6.6	50	0	0	0	0	111.8
415	D	35	Very low	32.8	Very low	116 Å²	116	150.2 Å²	150.2	62%	0.62	74%	0.742	S	S	*	*			trans	76.5	113	147.3	-62.1	-42.1	0	0	0	122.9
416	H	33.3	Very low	32.9	Very low	151 Å²	151	152.3 Å²	152.3	70%	0.699	75%	0.745	S	S	*	*				98.3	135.7	117.8	-79.8	-0.8	0	0	0	122.4
417	R	32.6	Very low	33.2	Very low	217 Å²	217	151.1 Å²	151.1	82%	0.819	75%	0.745	S	S	*	*			trans	76.9	94.2	152.8	-67.1	168.4	-162	-176.4	7.1	120.2
418	Y	28.7	Very low	33.4	Very low	206 Å²	206	153.8 Å²	153.8	81%	0.808	75%	0.749	S	S	*	*				43.5	131	113.1	-86.6	-83.9	0	0	0	122.1
419	H	32.1	Very low	33.5	Very low	165 Å²	165	154.2 Å²	154.2	76%	0.764	75%	0.753	S	S	*	*			trans	100	140.8	146.6	-76.8	-59.7	0	0	0	121.6
420	Q	33.3	Very low	33.7	Very low	183 Å²	183	154.9 Å²	154.9	86%	0.855	76%	0.756	S	S	*	*			trans	73.6	95.1	159.9	-75.6	174.9	-25.5	0	0	120.3
421	H	29.6	Very low	33.9	Very low	180 Å²	180	155 Å²	155	83%	0.833	76%	0.764	S	S	*	*				-34.9	157.3	129.1	-81	-54.9	0	0	0	113.2
422	P	35.1	Very low	34	Very low	103 Å²	103	157.2 Å²	157.2	67%	0.669	78%	0.779	S	S	*	*			cis	-155.1	-174	40.9	47.5	-27.7	0	0	0	119.5
423	Y	32.1	Very low	34	Very low	197 Å²	197	157.8 Å²	157.8	77%	0.773	78%	0.781	S	S	*	*			trans	59.7	104.7	154.9	-74.2	-70.3	0	0	0	122.5
424	F	28.3	Very low	34	Very low	192 Å²	192	157.1 Å²	157.1	84%	0.842	78%	0.783	S	S	*	*			trans	44.3	116.2	130.3	-78.7	-113.3	0	0	0	120.7
425	S	34.4	Very low	34.1	Very low	116 Å²	116	160.8 Å²	160.8	81%	0.811	80%	0.796	S	S	*	*				-150.7	151.7	114	-171.4	0	0	0	0	111.6
426	K	36.1	Very low	34.2	Very low	172 Å²	172	164.3 Å²	164.3	75%	0.748	81%	0.808	S	S	*	*			trans	-62.8	142.2	168.9	-49.5	163.4	168.5	178	0	110.6
427	D	38.7	Very low	34.3	Very low	140 Å²	140	164.8 Å²	164.8	75%	0.749	81%	0.814	S	S	*	*				174.1	86.6	94.8	-88.8	-32.8	0	0	0	109.5
428	D	37.4	Very low	34.2	Very low	173 Å²	173	158.7 Å²	158.7	93%	0.925	81%	0.805	S	S	*	*			trans	-146.1	79.7	171.6	-105.3	-41.6	0	0	0	109.1
429	S	33.7	Very low	34.5	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	80%	0.802	S	S	*	*			trans	-113.9	114.7	173.4	-59.3	0	0	0	0	108.4
430	D	37.8	Very low	35.1	Very low	153 Å²	153	153 Å²	153	82%	0.818	81%	0.805	S	S	*	*	S	Bend	trans	172.8	-13.4	150.4	-92.8	-13.3	0	0	0	114.1
431	L	39.3	Very low	35.8	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	80%	0.8	S	S	*	*	S	Bend	trans	-102.2	17.4	-171.1	-65.9	178.6	0	0	0	116.9
432	L	35.9	Very low	37.1	Very low	174 Å²	174	147.9 Å²	147.9	91%	0.911	80%	0.795	S	S	*	*			trans	-127.8	51.4	179.2	-74.7	177.1	0	0	0	114.3
433	I	34.7	Very low	38.3	Very low	146 Å²	146	145.4 Å²	145.4	75%	0.749	78%	0.776	S	S	*	*			trans	-130	90.2	168.1	-52.6	177.8	0	0	0	109.7
434	N	31.9	Very low	40.1	Very low	159 Å²	159	138 Å²	138	85%	0.85	75%	0.753	S	S	*	*	S	Bend	trans	-179.5	55.7	154.4	-95.4	-26	0	0	0	113
435	N	36.3	Very low	41.9	Very low	159 Å²	159	132.6 Å²	132.6	85%	0.85	73%	0.73	S	S	*	*			trans	-154.7	22.3	165.4	-111.2	-34.8	0	0	0	115	I437	N435-I437 PolarHBondContact O-N 3.28Å
436	H	36.2	Very low	43.6	Very low	189 Å²	189	129.5 Å²	129.5	88%	0.875	71%	0.712	S	S	*	*			trans	-75.6	104.4	169.1	-94	-75.8	0	0	0	110.1	S438	H436-S438 VanDerWaalsContact C-N 3.32Å; H436-S438 PolarHBondContact O-N 3.44Å
437	I	36.8	Very low	45.4	Very low	162 Å²	162	125.5 Å²	125.5	83%	0.831	70%	0.696	S	S	*	*			trans	-63.4	97.3	162.4	-60.4	173.5	0	0	0	107	N435	N435-I437 PolarHBondContact O-N 3.28Å
438	S	29	Very low	47.1	Very low	88 Å²	88	121.5 Å²	121.5	62%	0.615	67%	0.67	S	S	*	*			trans	-65.3	135.6	179.6	49.2	0	0	0	0	110	H436 V440	H436-S438 VanDerWaalsContact C-N 3.32Å; H436-S438 PolarHBondContact O-N 3.44Å; S438-V440 PolarHBondContact O-N 3.09Å; S438-V440 VanDerWaalsContact O-N 3.07Å
439	P	36.7	Very low	49	Very low	115 Å²	115	116.9 Å²	116.9	75%	0.747	64%	0.64	S	S	*	*			trans	-64.7	115.8	179.2	25.9	-33.1	0	0	0	108.9	L441	P439-L441 PolarHBondContact O-N 2.95Å
440	V	42.9	Very low	51.3	Low	137 Å²	137	116.7 Å²	116.7	83%	0.83	63%	0.629	S	S	*	*			trans	-57.5	108.5	-177.3	179.9	0	0	0	0	109.4	S438	S438-V440 PolarHBondContact O-N 3.09Å; S438-V440 VanDerWaalsContact O-N 3.07Å
441	L	48.6	Very low	53.4	Low	144 Å²	144	116.2 Å²	116.2	75%	0.754	62%	0.616	S	S	*	*			trans	-59.6	142.5	177.6	-70	172.4	0	0	0	110	P439 L443	P439-L441 PolarHBondContact O-N 2.95Å; L441-L443 PolarHBondContact O-N 2.88Å; L441-L443 VanDerWaalsContact O-N 3.07Å
442	P	56.4	Low	55.6	Low	111 Å²	111	108.3 Å²	108.3	72%	0.721	57%	0.574	S	S	*	*			trans	-63.9	115.1	179.4	26.3	-33.4	0	0	0	109.7	S444	P442-S444 PolarHBondContact O-N 3.3Å
443	L	61.8	Low	57.9	Low	51 Å²	51	101.7 Å²	101.7	27%	0.267	54%	0.54	S	S	.	.			trans	-48.5	135.3	-179.1	-64.7	171.8	0	0	0	111.5	L441 E447 R448	L441-L443 PolarHBondContact O-N 2.88Å; L441-L443 VanDerWaalsContact O-N 3.07Å; L443-E447 HydrophobicContact CB-CB 4.49Å; L443-R448 HydrophobicContact CB-CG 3.82Å; L443-R448 HydrophobicContact CD1-CG 4.31Å; L443-R448 PolarHBondContact O-NE 3.14Å; L443-R448 PolarHBondContact O-NH2 3.33Å
444	S	68.2	Low	60.5	Low	42 Å²	42	99.7 Å²	99.7	29%	0.294	53%	0.531	S	S	.	.			trans	-58.9	158.4	176.4	67.7	0	0	0	0	111.5	P442 A446 E447 R448	P442-S444 PolarHBondContact O-N 3.3Å; S444-A446 PolarHBondContact O-N 3.38Å; S444-E447 VanDerWaalsContact CB-OE2 3.22Å; S444-E447 WeakPolarHBondContact CB-OE2 3.45Å; S444-E447 PolarHBondContact N-OE2 3.41Å; S444-E447 PolarHBondContact O-N 3.42Å; S444-E447 WeakPolarHBondContact OG-CB 3.31Å; S444-E447 VanDerWaalsContact OG-CD 3.31Å; S444-E447 VanDerWaalsContact OG-CG 3.23Å; S444-E447 WeakPolarHBondContact OG-CG 3.45Å; S444-E447 PolarHBondContact OG-N 2.74Å; S444-E447 VanDerWaalsContact OG-N 3.15Å; S444-E447 PolarHBondContact OG-OE2 3.2Å; S444-R448 PolarHBondContact O-N 2.92Å; S444-R448 VanDerWaalsContact O-N 3.07Å; S444-R448 PolarHBondContact O-NE 2.85Å
445	E	66.6	Low	63.2	Low	78 Å²	78	94.4 Å²	94.4	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-53.2	-42.1	173.3	-169.1	-171	155.1	0	0	111.3	R66 R449 V534	R66-E445 IonicContact NH1-OE2 2.76Å; R66-E445 PolarHBondContact NH1-OE2 3.27Å; E445-R449 WeakPolarHBondContact O-CB 3.49Å; E445-R449 PolarHBondContact O-N 3.2Å; E445-V534 HydrophobicContact CG-CB 4.19Å; E445-V534 HydrophobicContact CG-CG1 4.38Å; E445-V534 HydrophobicContact CG-CG2 3.85Å
446	A	70.5	Confident	65.7	Low	51 Å²	51	86.8 Å²	86.8	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-46.5	179	0	0	0	0	0	113.1	S444 R448 R449 I450	S444-A446 PolarHBondContact O-N 3.38Å; A446-R448 VanDerWaalsContact C-N 3.31Å; A446-R448 PolarHBondContact O-N 3.15Å; A446-R449 WeakPolarHBondContact O-CB 3.38Å; A446-R449 PolarHBondContact O-N 3.4Å; A446-I450 WeakPolarHBondContact O-CG1 3.44Å; A446-I450 PolarHBondContact O-N 3.36Å
447	E	75	Confident	68.5	Low	88 Å²	88	81 Å²	81	41%	0.411	44%	0.441	S	S	.	.	H	α-helix	trans	-62.7	-38.9	177.2	-71	162.8	113.2	0	0	111.9	L443 S444 I450 R451	L443-E447 HydrophobicContact CB-CB 4.49Å; S444-E447 VanDerWaalsContact CB-OE2 3.22Å; S444-E447 WeakPolarHBondContact CB-OE2 3.45Å; S444-E447 PolarHBondContact N-OE2 3.41Å; S444-E447 PolarHBondContact O-N 3.42Å; S444-E447 WeakPolarHBondContact OG-CB 3.31Å; S444-E447 VanDerWaalsContact OG-CD 3.31Å; S444-E447 VanDerWaalsContact OG-CG 3.23Å; S444-E447 WeakPolarHBondContact OG-CG 3.45Å; S444-E447 PolarHBondContact OG-N 2.74Å; S444-E447 VanDerWaalsContact OG-N 3.15Å; S444-E447 PolarHBondContact OG-OE2 3.2Å; E447-I450 PolarHBondContact O-N 3.04Å; E447-R451 WeakPolarHBondContact O-CG 3.44Å; E447-R451 PolarHBondContact O-N 3.4Å
448	R	73	Confident	71.1	Confident	56 Å²	56	79.5 Å²	79.5	21%	0.211	43%	0.429	C	S	.	.	H	α-helix	trans	-64.7	-42.5	175.5	-78	-176.3	-81.5	151.7	-5.6	111.6	Y287 L443 S444 A446 R451 R452 V534 P535	Y287-R448 HydrophobicContact CE2-CB 4.15Å; L443-R448 HydrophobicContact CB-CG 3.82Å; L443-R448 HydrophobicContact CD1-CG 4.31Å; L443-R448 PolarHBondContact O-NE 3.14Å; L443-R448 PolarHBondContact O-NH2 3.33Å; S444-R448 PolarHBondContact O-N 2.92Å; S444-R448 VanDerWaalsContact O-N 3.07Å; S444-R448 PolarHBondContact O-NE 2.85Å; A446-R448 VanDerWaalsContact C-N 3.31Å; A446-R448 PolarHBondContact O-N 3.15Å; R448-R451 PolarHBondContact O-N 3.43Å; R448-R452 WeakPolarHBondContact O-CB 3.35Å; R448-R452 PolarHBondContact O-N 2.64Å; R448-V534 HydrophobicContact CB-CG1 4.33Å; R448-P535 PolarHBondContact NH1-O 3.21Å
449	R	77.5	Confident	74.2	Confident	77 Å²	77	77.6 Å²	77.6	29%	0.291	41%	0.411	S	S	.	.	H	α-helix	trans	-59.2	-44.6	173.3	-176	176.4	166.1	-155.5	-16.2	112.3	E445 A446 R452 L453 L526	E445-R449 WeakPolarHBondContact O-CB 3.49Å; E445-R449 PolarHBondContact O-N 3.2Å; A446-R449 WeakPolarHBondContact O-CB 3.38Å; A446-R449 PolarHBondContact O-N 3.4Å; R449-R452 PolarHBondContact O-N 2.95Å; R449-L453 WeakPolarHBondContact O-CG 3.37Å; R449-L453 PolarHBondContact O-N 2.76Å; R449-L526 HydrophobicContact CG-CD2 3.88Å; R449-L526 PolarHBondContact NE-O 3.19Å; R449-L526 PolarHBondContact NH2-O 2.93Å
450	I	81.4	Confident	76.9	Confident	101 Å²	101	73.2 Å²	73.2	52%	0.518	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-45.1	177.9	-67.5	164.6	0	0	0	111.3	A446 E447 R452 L453 N454	A446-I450 WeakPolarHBondContact O-CG1 3.44Å; A446-I450 PolarHBondContact O-N 3.36Å; E447-I450 PolarHBondContact O-N 3.04Å; I450-R452 VanDerWaalsContact C-N 3.33Å; I450-R452 PolarHBondContact O-N 2.98Å; I450-L453 PolarHBondContact O-N 3.18Å; I450-N454 PolarHBondContact O-N 2.85Å
451	R	82.3	Confident	79.3	Confident	142 Å²	142	71.2 Å²	71.2	54%	0.536	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-44.1	175.6	-71.4	176.6	-171.2	-140.8	3	111.5	E447 R448 L453 N454 D455	E447-R451 WeakPolarHBondContact O-CG 3.44Å; E447-R451 PolarHBondContact O-N 3.4Å; R448-R451 PolarHBondContact O-N 3.43Å; R451-L453 PolarHBondContact O-N 3.33Å; R451-N454 PolarHBondContact O-N 3Å; R451-N454 VanDerWaalsContact O-N 3.15Å; R451-D455 PolarHBondContact O-N 2.69Å
452	R	85.1	Confident	81.5	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-39.6	179.7	-170.7	55.8	172.3	158.6	1.6	113.1	H285 Y287 R448 R449 I450 N454 D455 L456 E522 L526	H285-R452 PolarHBondContact CE1-NH1 2.83Å; H285-R452 PolarHBondContact ND1-NH1 3.33Å; H285-R452 VanDerWaalsContact ND1-NH1 3.18Å; Y287-R452 HydrophobicContact CD1-CG 4.13Å; Y287-R452 HydrophobicContact CD2-CB 4.14Å; Y287-R452 HydrophobicContact CD2-CG 4.4Å; Y287-R452 HydrophobicContact CE1-CB 4.28Å; Y287-R452 HydrophobicContact CE1-CG 3.83Å; Y287-R452 HydrophobicContact CE2-CB 3.69Å; Y287-R452 HydrophobicContact CE2-CG 4.13Å; Y287-R452 HydrophobicContact CG-CG 4.4Å; R448-R452 WeakPolarHBondContact O-CB 3.35Å; R448-R452 PolarHBondContact O-N 2.64Å; R449-R452 PolarHBondContact O-N 2.95Å; I450-R452 VanDerWaalsContact C-N 3.33Å; I450-R452 PolarHBondContact O-N 2.98Å; R452-N454 VanDerWaalsContact C-N 3.27Å; R452-N454 PolarHBondContact O-N 3.5Å; R452-D455 PolarHBondContact O-N 3.23Å; R452-L456 HydrophobicContact CG-CD1 4.22Å; R452-L456 HydrophobicContact CG-CG 4.43Å; R452-L456 WeakPolarHBondContact O-CG 3.4Å; R452-L456 PolarHBondContact O-N 3.41Å; R452-L456 VanDerWaalsContact O-N 3.08Å; R452-E522 WeakPolarHBondContact CG-OE1 3.3Å; R452-E522 IonicContact CZ-OE1 2.73Å; R452-E522 IonicContact CZ-OE2 3.11Å; R452-E522 IonicContact NE-OE1 3.31Å; R452-E522 PolarHBondContact NE-OE1 3.18Å; R452-E522 IonicContact NE-OE2 3.21Å; R452-E522 PolarHBondContact NE-OE2 3.38Å; R452-E522 IonicContact NH2-OE1 3.86Å; R452-E522 IonicContact NH2-OE2 3.12Å; R452-E522 PolarHBondContact NH2-OE2 3.38Å; R452-L526 HydrophobicContact CB-CD1 4.29Å; R452-L526 HydrophobicContact CG-CD1 3.84Å
453	L	86.1	Confident	83.2	Confident	35 Å²	35	62.9 Å²	62.9	18%	0.183	32%	0.319	C	S	.	.	H	α-helix	trans	-57.6	-38.2	172	-80.7	170.5	0	0	0	112.5	R449 I450 R451 P457 L523 L526	R449-L453 WeakPolarHBondContact O-CG 3.37Å; R449-L453 PolarHBondContact O-N 2.76Å; I450-L453 PolarHBondContact O-N 3.18Å; R451-L453 PolarHBondContact O-N 3.33Å; L453-P457 WeakPolarHBondContact O-CD 3.27Å; L453-L523 HydrophobicContact CD2-CD1 3.84Å; L453-L526 HydrophobicContact CD2-CB 3.45Å; L453-L526 VanDerWaalsContact CD2-CB 3.45Å; L453-L526 HydrophobicContact CD2-CD1 3.99Å; L453-L526 HydrophobicContact CD2-CG 4.36Å; L453-L526 HydrophobicContact CG-CB 3.96Å; L453-L526 HydrophobicContact CG-CD1 4.15Å
454	N	87.6	Confident	84.7	Confident	104 Å²	104	66 Å²	66	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-75.7	-23.2	179	-66.2	-14.2	0	0	0	113.8	I450 R451 R452 K458	I450-N454 PolarHBondContact O-N 2.85Å; R451-N454 PolarHBondContact O-N 3Å; R451-N454 VanDerWaalsContact O-N 3.15Å; R452-N454 VanDerWaalsContact C-N 3.27Å; R452-N454 PolarHBondContact O-N 3.5Å; N454-K458 WeakPolarHBondContact O-CE 3.5Å
455	D	88.7	Confident	86.1	Confident	48 Å²	48	67.1 Å²	67.1	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-89.2	-34.4	-179.8	-72.1	-26.1	0	0	0	113.4	R451 R452 K458 L459	R451-D455 PolarHBondContact O-N 2.69Å; R452-D455 PolarHBondContact O-N 3.23Å; D455-K458 WeakPolarHBondContact O-CB 3.42Å; D455-K458 PolarHBondContact O-N 3.13Å; D455-K458 IonicContact OD1-NZ 3.68Å; D455-K458 PolarHBondContact OD1-NZ 2.81Å; D455-L459 PolarHBondContact O-N 3.29Å
456	L	90.1	Very high	87.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-56.6	-42.9	-175.4	-81.8	168.8	0	0	0	115.2	R452 K458 L459 I460 L519 E522 L523 L526	R452-L456 HydrophobicContact CG-CD1 4.22Å; R452-L456 HydrophobicContact CG-CG 4.43Å; R452-L456 WeakPolarHBondContact O-CG 3.4Å; R452-L456 PolarHBondContact O-N 3.41Å; R452-L456 VanDerWaalsContact O-N 3.08Å; L456-K458 PolarHBondContact O-N 2.79Å; L456-L459 HydrophobicContact CD2-CD1 4.42Å; L456-L459 PolarHBondContact O-N 2.97Å; L456-I460 VanDerWaalsContact O-CG1 3.32Å; L456-I460 WeakPolarHBondContact O-CG1 3.31Å; L456-I460 PolarHBondContact O-N 2.92Å; L456-L519 HydrophobicContact CD2-CB 4.15Å; L456-L519 HydrophobicContact CD2-CD2 3.54Å; L456-L519 HydrophobicContact CD2-CG 4.45Å; L456-E522 HydrophobicContact CD1-CB 4.21Å; L456-E522 HydrophobicContact CD1-CG 3.91Å; L456-L523 HydrophobicContact CB-CD1 4.23Å; L456-L523 HydrophobicContact CD1-CB 4.09Å; L456-L523 HydrophobicContact CD1-CD1 4.24Å; L456-L526 HydrophobicContact CD1-CD1 3.31Å
457	P	93.4	Very high	88.5	Confident	68 Å²	68	64.5 Å²	64.5	44%	0.442	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-34.7	175.8	-27	36	0	0	0	113.3	L453 Q461	L453-P457 WeakPolarHBondContact O-CD 3.27Å; P457-Q461 WeakPolarHBondContact O-CB 3.31Å; P457-Q461 PolarHBondContact O-N 2.88Å
458	K	93.4	Very high	89.4	Confident	130 Å²	130	65.4 Å²	65.4	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-66.6	-45.6	177.3	-50.7	172.2	-168.5	157.7	0	110.6	N454 D455 L456 Q461 A462	N454-K458 WeakPolarHBondContact O-CE 3.5Å; D455-K458 WeakPolarHBondContact O-CB 3.42Å; D455-K458 PolarHBondContact O-N 3.13Å; D455-K458 IonicContact OD1-NZ 3.68Å; D455-K458 PolarHBondContact OD1-NZ 2.81Å; L456-K458 PolarHBondContact O-N 2.79Å; K458-Q461 PolarHBondContact O-N 3.48Å; K458-A462 WeakPolarHBondContact O-CB 3.36Å; K458-A462 PolarHBondContact O-N 3.05Å
459	L	92.2	Very high	90.4	Very high	47 Å²	47	68.2 Å²	68.2	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-42.2	178.2	-60.1	175.1	0	0	0	112.1	D455 L456 Q461 A462 E463 L519	D455-L459 PolarHBondContact O-N 3.29Å; L456-L459 HydrophobicContact CD2-CD1 4.42Å; L456-L459 PolarHBondContact O-N 2.97Å; L459-Q461 VanDerWaalsContact C-N 3.3Å; L459-Q461 PolarHBondContact O-N 2.69Å; L459-A462 PolarHBondContact O-N 3.31Å; L459-E463 PolarHBondContact O-N 2.9Å; L459-L519 HydrophobicContact CB-CD1 3.86Å; L459-L519 HydrophobicContact CB-CD2 4.28Å; L459-L519 HydrophobicContact CD1-CD2 3.99Å
460	I	93.7	Very high	91.1	Very high	24 Å²	24	64.9 Å²	64.9	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-38	176.8	-69.3	164.6	0	0	0	111	L456 R464 R516 L519 M520 L523	L456-I460 VanDerWaalsContact O-CG1 3.32Å; L456-I460 WeakPolarHBondContact O-CG1 3.31Å; L456-I460 PolarHBondContact O-N 2.92Å; I460-R464 WeakPolarHBondContact O-CB 3.43Å; I460-R464 PolarHBondContact O-N 2.97Å; I460-R464 VanDerWaalsContact O-N 3.14Å; I460-R516 HydrophobicContact CG2-CG 4.32Å; I460-L519 HydrophobicContact CD1-CB 4.29Å; I460-L519 HydrophobicContact CG1-CB 3.69Å; I460-L519 HydrophobicContact CG1-CD1 4.48Å; I460-M520 HydrophobicContact CD1-CG 3.91Å; I460-M520 HydrophobicContact CG1-CG 4.27Å; I460-M520 HydrophobicContact CG2-CG 4.39Å; I460-L523 HydrophobicContact CD1-CB 4.47Å; I460-L523 HydrophobicContact CD1-CD2 3.79Å
461	Q	94.3	Very high	91.6	Very high	94 Å²	94	61.9 Å²	61.9	44%	0.439	32%	0.315	S	S	.	.	H	α-helix	trans	-73.6	-34.1	175.1	-179.4	60.2	24	0	0	112.4	P457 K458 L459 R464 V465	P457-Q461 WeakPolarHBondContact O-CB 3.31Å; P457-Q461 PolarHBondContact O-N 2.88Å; K458-Q461 PolarHBondContact O-N 3.48Å; L459-Q461 VanDerWaalsContact C-N 3.3Å; L459-Q461 PolarHBondContact O-N 2.69Å; Q461-R464 WeakPolarHBondContact O-CB 3.36Å; Q461-R464 PolarHBondContact O-N 3.21Å; Q461-R464 VanDerWaalsContact OE1-CD 3.3Å; Q461-V465 PolarHBondContact O-N 3.32Å
462	A	93.7	Very high	92.1	Very high	53 Å²	53	57.3 Å²	57.3	44%	0.438	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-50.8	173.9	0	0	0	0	0	111.8	K458 L459 R464 V465 V466	K458-A462 WeakPolarHBondContact O-CB 3.36Å; K458-A462 PolarHBondContact O-N 3.05Å; L459-A462 PolarHBondContact O-N 3.31Å; A462-R464 PolarHBondContact O-N 3.43Å; A462-V465 WeakPolarHBondContact O-CB 3.35Å; A462-V465 PolarHBondContact O-N 2.6Å; A462-V466 PolarHBondContact O-N 2.86Å
463	E	92.6	Very high	92.3	Very high	27 Å²	27	58.4 Å²	58.4	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-28.8	175.7	-67.9	-69.8	166.3	0	0	111.7	L459 V466 I467 A512 R515 R516 L519	L459-E463 PolarHBondContact O-N 2.9Å; E463-V466 PolarHBondContact O-N 3.49Å; E463-I467 WeakPolarHBondContact O-CD1 3.33Å; E463-I467 VanDerWaalsContact O-CG1 3.24Å; E463-I467 WeakPolarHBondContact O-CG1 3.48Å; E463-I467 PolarHBondContact O-N 3.47Å; E463-A512 VanDerWaalsContact OE2-CA 3.29Å; E463-A512 WeakPolarHBondContact OE2-CA 3.47Å; E463-A512 WeakPolarHBondContact OE2-CB 3.41Å; E463-R515 VanDerWaalsContact CD-CD 3.5Å; E463-R515 HydrophobicContact CG-CB 4.11Å; E463-R515 WeakPolarHBondContact OE1-CD 3.23Å; E463-R515 IonicContact OE1-CZ 3.73Å; E463-R515 IonicContact OE1-NE 3.65Å; E463-R515 IonicContact OE1-NH1 2.67Å; E463-R515 PolarHBondContact OE1-NH1 2.87Å; E463-R516 HydrophobicContact CB-CB 4.17Å; E463-L519 HydrophobicContact CG-CD1 4.09Å
464	R	94.3	Very high	92.4	Very high	118 Å²	118	58.3 Å²	58.3	45%	0.445	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-36.8	170.5	-179.6	-172	178.1	-171.7	1.2	112.8	I460 Q461 A462 I467 L468	I460-R464 WeakPolarHBondContact O-CB 3.43Å; I460-R464 PolarHBondContact O-N 2.97Å; I460-R464 VanDerWaalsContact O-N 3.14Å; Q461-R464 WeakPolarHBondContact O-CB 3.36Å; Q461-R464 PolarHBondContact O-N 3.21Å; Q461-R464 VanDerWaalsContact OE1-CD 3.3Å; A462-R464 PolarHBondContact O-N 3.43Å; R464-I467 PolarHBondContact O-N 2.88Å; R464-L468 HydrophobicContact CG-CD1 4.41Å; R464-L468 WeakPolarHBondContact O-CG 3.48Å; R464-L468 PolarHBondContact O-N 3.47Å; R464-L468 VanDerWaalsContact O-N 3.14Å
465	V	95.9	Very high	92.3	Very high	65 Å²	65	57.7 Å²	57.7	39%	0.394	31%	0.31	S	S	.	.	H	α-helix	trans	-66.4	-43.9	175.7	175.5	0	0	0	0	110.3	Q461 A462 I467 L468 Q469	Q461-V465 PolarHBondContact O-N 3.32Å; A462-V465 WeakPolarHBondContact O-CB 3.35Å; A462-V465 PolarHBondContact O-N 2.6Å; V465-I467 VanDerWaalsContact C-N 3.34Å; V465-I467 PolarHBondContact O-N 3.27Å; V465-L468 WeakPolarHBondContact O-CB 3.37Å; V465-L468 PolarHBondContact O-N 3.06Å; V465-L468 VanDerWaalsContact O-N 3.09Å; V465-Q469 HydrophobicContact CG1-CG 4.4Å; V465-Q469 WeakPolarHBondContact O-CG 3.46Å; V465-Q469 PolarHBondContact O-N 3.21Å
466	V	94	Very high	92.1	Very high	47 Å²	47	61.6 Å²	61.6	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-42.3	176.2	-177.4	0	0	0	0	111.6	A462 E463 L468 Q469 A470 T508 A512	A462-V466 PolarHBondContact O-N 2.86Å; E463-V466 PolarHBondContact O-N 3.49Å; V466-L468 VanDerWaalsContact C-N 3.33Å; V466-L468 PolarHBondContact O-N 3.38Å; V466-Q469 PolarHBondContact O-N 2.88Å; V466-A470 WeakPolarHBondContact O-CB 3.33Å; V466-A470 PolarHBondContact O-N 3.3Å; V466-T508 HydrophobicContact CG1-CG2 3.94Å; V466-A512 HydrophobicContact CB-CB 4.08Å; V466-A512 HydrophobicContact CG1-CB 3.74Å
467	I	94	Very high	91.5	Very high	27 Å²	27	61.8 Å²	61.8	14%	0.138	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-42.1	174.3	-70	164	0	0	0	111.4	E463 R464 V465 S471 M509 A512 R516	E463-I467 WeakPolarHBondContact O-CD1 3.33Å; E463-I467 VanDerWaalsContact O-CG1 3.24Å; E463-I467 WeakPolarHBondContact O-CG1 3.48Å; E463-I467 PolarHBondContact O-N 3.47Å; R464-I467 PolarHBondContact O-N 2.88Å; V465-I467 VanDerWaalsContact C-N 3.34Å; V465-I467 PolarHBondContact O-N 3.27Å; I467-S471 WeakPolarHBondContact O-CB 3.45Å; I467-S471 PolarHBondContact O-N 3.24Å; I467-M509 HydrophobicContact CG2-CE 4.38Å; I467-M509 HydrophobicContact CG2-SD 4.04Å; I467-M509 VanDerWaalsContact O-CE 3.28Å; I467-M509 WeakPolarHBondContact O-CE 3.39Å; I467-A512 HydrophobicContact CD1-CB 4.49Å; I467-A512 HydrophobicContact CG1-CB 3.68Å; I467-R516 HydrophobicContact CD1-CB 4.26Å
468	L	94.6	Very high	90.6	Very high	106 Å²	106	61.7 Å²	61.7	56%	0.555	33%	0.326	S	S	*	.	H	α-helix	trans	-67.8	-43.8	178.7	-70.7	167.5	0	0	0	111.9	R464 V465 V466 S471 A472	R464-L468 HydrophobicContact CG-CD1 4.41Å; R464-L468 WeakPolarHBondContact O-CG 3.48Å; R464-L468 PolarHBondContact O-N 3.47Å; R464-L468 VanDerWaalsContact O-N 3.14Å; V465-L468 WeakPolarHBondContact O-CB 3.37Å; V465-L468 PolarHBondContact O-N 3.06Å; V465-L468 VanDerWaalsContact O-N 3.09Å; V466-L468 VanDerWaalsContact C-N 3.33Å; V466-L468 PolarHBondContact O-N 3.38Å; L468-S471 WeakPolarHBondContact O-CB 3.46Å; L468-S471 PolarHBondContact O-N 2.96Å; L468-A472 PolarHBondContact O-N 3.49Å
469	Q	93.7	Very high	89.2	Confident	116 Å²	116	59.3 Å²	59.3	54%	0.542	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-47.4	176.4	-71.2	169.5	-39.7	0	0	111.6	V465 V466 S471 A472 A473	V465-Q469 HydrophobicContact CG1-CG 4.4Å; V465-Q469 WeakPolarHBondContact O-CG 3.46Å; V465-Q469 PolarHBondContact O-N 3.21Å; V466-Q469 PolarHBondContact O-N 2.88Å; Q469-S471 VanDerWaalsContact C-N 3.27Å; Q469-S471 PolarHBondContact O-N 3.25Å; Q469-A472 PolarHBondContact O-N 3.13Å; Q469-A473 PolarHBondContact O-N 3.39Å
470	A	91.9	Very high	87.7	Confident	6 Å²	6	59.3 Å²	59.3	5%	0.05	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-31.6	175.7	0	0	0	0	0	112.5	V466 L474 T508 M509	V466-A470 WeakPolarHBondContact O-CB 3.33Å; V466-A470 PolarHBondContact O-N 3.3Å; A470-L474 VanDerWaalsContact O-CG 3.31Å; A470-L474 WeakPolarHBondContact O-CG 3.47Å; A470-L474 PolarHBondContact O-N 2.7Å; A470-L474 VanDerWaalsContact O-N 3.1Å; A470-T508 HydrophobicContact CB-CG2 4.27Å; A470-M509 HydrophobicContact CB-CB 4.03Å; A470-M509 HydrophobicContact CB-CE 4.05Å
471	S	92.8	Very high	85.7	Confident	39 Å²	39	62.6 Å²	62.6	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-41.1	173.6	-166.1	0	0	0	0	112.3	I467 L468 Q469 L474 Q475 M509	I467-S471 WeakPolarHBondContact O-CB 3.45Å; I467-S471 PolarHBondContact O-N 3.24Å; L468-S471 WeakPolarHBondContact O-CB 3.46Å; L468-S471 PolarHBondContact O-N 2.96Å; Q469-S471 VanDerWaalsContact C-N 3.27Å; Q469-S471 PolarHBondContact O-N 3.25Å; S471-L474 PolarHBondContact O-N 3.48Å; S471-Q475 VanDerWaalsContact O-CG 3.29Å; S471-Q475 WeakPolarHBondContact O-CG 3.34Å; S471-Q475 PolarHBondContact O-N 3.48Å; S471-Q475 PolarHBondContact O-NE2 3.46Å; S471-Q475 PolarHBondContact OG-NE2 3.49Å; S471-Q475 VanDerWaalsContact OG-NE2 3.14Å; S471-M509 VanDerWaalsContact N-CE 3.35Å
472	A	91.4	Very high	83.7	Confident	46 Å²	46	65.9 Å²	65.9	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-44.6	176.9	0	0	0	0	0	111.6	L468 Q469 L474 Q475 Q476	L468-A472 PolarHBondContact O-N 3.49Å; Q469-A472 PolarHBondContact O-N 3.13Å; A472-L474 PolarHBondContact O-N 3.09Å; A472-Q475 PolarHBondContact O-N 3.08Å; A472-Q476 WeakPolarHBondContact O-CG 3.47Å; A472-Q476 PolarHBondContact O-N 3.43Å
473	A	89.4	Confident	81.4	Confident	27 Å²	27	72 Å²	72	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-59.4	-44.3	175.3	0	0	0	0	0	112.3	Q469 Q475 Q476 C477 A505	Q469-A473 PolarHBondContact O-N 3.39Å; A473-Q475 VanDerWaalsContact C-N 3.34Å; A473-Q475 PolarHBondContact O-N 2.86Å; A473-Q476 WeakPolarHBondContact O-CB 3.47Å; A473-Q476 PolarHBondContact O-N 2.87Å; A473-C477 PolarHBondContact O-N 3.45Å; A473-C477 PolarHBondContact O-SG 2.99Å; A473-C477 VanDerWaalsContact O-SG 3.41Å; A473-A505 HydrophobicContact CB-CB 4.03Å
474	L	88.2	Confident	79.5	Confident	32 Å²	32	80 Å²	80	17%	0.168	41%	0.408	C	S	.	.	H	α-helix	trans	-64.5	-35.7	176	-73.2	169.4	0	0	0	113.1	A470 S471 A472 C477 V478 A505 S506 M509	A470-L474 VanDerWaalsContact O-CG 3.31Å; A470-L474 WeakPolarHBondContact O-CG 3.47Å; A470-L474 PolarHBondContact O-N 2.7Å; A470-L474 VanDerWaalsContact O-N 3.1Å; S471-L474 PolarHBondContact O-N 3.48Å; A472-L474 PolarHBondContact O-N 3.09Å; L474-C477 PolarHBondContact O-N 3.18Å; L474-V478 WeakPolarHBondContact O-CG2 3.37Å; L474-V478 PolarHBondContact O-N 3.29Å; L474-A505 HydrophobicContact CD2-CB 3.78Å; L474-A505 HydrophobicContact CG-CB 3.86Å; L474-S506 VanDerWaalsContact CD2-OG 3.32Å; L474-S506 WeakPolarHBondContact CD2-OG 3.47Å; L474-M509 HydrophobicContact CD1-CB 4.1Å; L474-M509 HydrophobicContact CD1-CE 4.26Å; L474-M509 HydrophobicContact CD1-CG 4.29Å
475	Q	87.1	Confident	77.5	Confident	92 Å²	92	76.3 Å²	76.3	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-66.1	-41.1	174.3	-73.5	169.6	56.9	0	0	111.3	S471 A472 A473 V478 S479 F757	S471-Q475 VanDerWaalsContact O-CG 3.29Å; S471-Q475 WeakPolarHBondContact O-CG 3.34Å; S471-Q475 PolarHBondContact O-N 3.48Å; S471-Q475 PolarHBondContact O-NE2 3.46Å; S471-Q475 PolarHBondContact OG-NE2 3.49Å; S471-Q475 VanDerWaalsContact OG-NE2 3.14Å; A472-Q475 PolarHBondContact O-N 3.08Å; A473-Q475 VanDerWaalsContact C-N 3.34Å; A473-Q475 PolarHBondContact O-N 2.86Å; Q475-V478 PolarHBondContact O-N 3.46Å; Q475-S479 VanDerWaalsContact O-CB 3.27Å; Q475-S479 WeakPolarHBondContact O-CB 3.14Å; Q475-S479 PolarHBondContact O-N 3.27Å; Q475-S479 PolarHBondContact O-OG 3.29Å; Q475-F757 HydrophobicContact CG-CE1 4.31Å; Q475-F757 HydrophobicContact CG-CZ 3.81Å
476	Q	83.8	Confident	75.6	Confident	130 Å²	130	78.4 Å²	78.4	61%	0.607	42%	0.416	S	S	*	.	H	α-helix	trans	-58.9	-49.6	173.8	-70.4	167.6	-13.7	0	0	111.1	A472 A473 V478 S479	A472-Q476 WeakPolarHBondContact O-CG 3.47Å; A472-Q476 PolarHBondContact O-N 3.43Å; A473-Q476 WeakPolarHBondContact O-CB 3.47Å; A473-Q476 PolarHBondContact O-N 2.87Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.26Å; Q476-S479 PolarHBondContact O-N 3.01Å; Q476-S479 VanDerWaalsContact O-N 3.08Å; Q476-S479 PolarHBondContact O-OG 2.69Å
477	C	78.1	Confident	73.8	Confident	4 Å²	4	83.4 Å²	83.4	3%	0.027	44%	0.436	C	S	.	.	H	α-helix	trans	-56.4	-35	178	-69.9	0	0	0	0	114.5	A473 L474 L495 G496 P497 H502	A473-C477 PolarHBondContact O-N 3.45Å; A473-C477 PolarHBondContact O-SG 2.99Å; A473-C477 VanDerWaalsContact O-SG 3.41Å; L474-C477 PolarHBondContact O-N 3.18Å; C477-L495 WeakPolarHBondContact CA-O 3.48Å; C477-L495 VanDerWaalsContact CB-O 3.25Å; C477-L495 WeakPolarHBondContact CB-O 3.39Å; C477-L495 PolarHBondContact SG-O 2.75Å; C477-G496 CarbonylContact O-C 3.52Å; C477-P497 WeakPolarHBondContact O-CD 3.37Å; C477-H502 HydrophobicContact CB-CB 4.14Å
478	V	73.3	Confident	72	Confident	65 Å²	65	83.9 Å²	83.9	39%	0.394	44%	0.438	S	S	.	.	H	α-helix	trans	-85.7	-20.9	-180	175.9	0	0	0	0	112.4	L474 Q475 Q476 I480 I779	L474-V478 WeakPolarHBondContact O-CG2 3.37Å; L474-V478 PolarHBondContact O-N 3.29Å; Q475-V478 PolarHBondContact O-N 3.46Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.26Å; V478-I480 PolarHBondContact O-N 3.49Å; V478-I779 HydrophobicContact CG1-CD1 4.24Å; V478-I779 HydrophobicContact CG2-CD1 4.37Å; V478-I779 HydrophobicContact CG2-CG2 4.1Å
479	S	64.8	Low	70.2	Confident	81 Å²	81	84 Å²	84	57%	0.566	44%	0.435	S	S	*	.	H	α-helix	trans	-79.6	-10.4	-173	69.5	0	0	0	0	116	Q475 Q476 P481	Q475-S479 VanDerWaalsContact O-CB 3.27Å; Q475-S479 WeakPolarHBondContact O-CB 3.14Å; Q475-S479 PolarHBondContact O-N 3.27Å; Q475-S479 PolarHBondContact O-OG 3.29Å; Q476-S479 PolarHBondContact O-N 3.01Å; Q476-S479 VanDerWaalsContact O-N 3.08Å; Q476-S479 PolarHBondContact O-OG 2.69Å; S479-P481 WeakPolarHBondContact O-CD 3.28Å
480	I	59.5	Low	68.4	Low	47 Å²	47	82.3 Å²	82.3	24%	0.241	43%	0.43	C	S	.	.			trans	-66.2	113.5	-171.4	-51.6	-175.4	0	0	0	110.7	V478 L492 L495	V478-I480 PolarHBondContact O-N 3.49Å; I480-L492 HydrophobicContact CB-CD2 3.97Å; I480-L492 HydrophobicContact CG2-CD2 3.63Å; I480-L492 HydrophobicContact CG2-CG 4.12Å; I480-L495 HydrophobicContact CD1-CB 3.56Å
481	P	53.5	Low	66.8	Low	93 Å²	93	89.4 Å²	89.4	60%	0.604	46%	0.455	S	S	*	.			trans	-73.3	138.1	-176.6	-16.8	32.3	0	0	0	111.9	S479 R483	S479-P481 WeakPolarHBondContact O-CD 3.28Å; P481-R483 PolarHBondContact O-N 2.88Å
482	F	50.5	Low	65.1	Low	163 Å²	163	89.2 Å²	89.2	72%	0.715	45%	0.451	S	S	*	.			trans	-69.5	93.7	178	-154.1	-79.4	0	0	0	111
483	R	46.4	Very low	63.6	Low	181 Å²	181	92.8 Å²	92.8	68%	0.683	45%	0.454	S	S	*	.			trans	-110.8	147.6	171.6	-69.7	-164.8	175.2	-146.2	-0.4	110.5	P481 S485 D488	P481-R483 PolarHBondContact O-N 2.88Å; R483-S485 VanDerWaalsContact C-N 3.3Å; R483-S485 PolarHBondContact O-N 2.74Å; R483-D488 WeakPolarHBondContact CB-OD2 3.49Å
484	K	51.5	Low	62.2	Low	194 Å²	194	97.2 Å²	97.2	84%	0.843	47%	0.47	S	S	*	.			trans	-88.6	24.4	-167.6	-61.5	-176.8	177.7	-178.5	0	113.8
485	S	52.8	Low	61	Low	42 Å²	42	99.6 Å²	99.6	29%	0.294	48%	0.483	S	S	.	.			trans	-81.9	147.9	174.7	85.1	0	0	0	0	110.2	R483 E487 D488 F489	R483-S485 VanDerWaalsContact C-N 3.3Å; R483-S485 PolarHBondContact O-N 2.74Å; S485-E487 PolarHBondContact O-N 3.02Å; S485-D488 WeakPolarHBondContact CB-OD2 3.37Å; S485-D488 PolarHBondContact O-N 3.24Å; S485-D488 WeakPolarHBondContact OG-CB 3.43Å; S485-D488 PolarHBondContact OG-N 3.05Å; S485-D488 VanDerWaalsContact OG-N 3.1Å; S485-D488 PolarHBondContact OG-OD2 3.45Å; S485-F489 VanDerWaalsContact O-CD2 3.23Å; S485-F489 WeakPolarHBondContact O-CD2 3.22Å
486	P	56.6	Low	59.8	Low	109 Å²	109	95.2 Å²	95.2	71%	0.708	46%	0.462	S	S	*	.	H	α-helix	trans	-58	-37.1	173.7	-26.3	36.2	0	0	0	113	D488 F489	P486-D488 VanDerWaalsContact C-N 3.35Å; P486-D488 PolarHBondContact O-N 2.88Å; P486-F489 PolarHBondContact O-N 2.76Å
487	E	55.1	Low	59	Low	151 Å²	151	92.9 Å²	92.9	71%	0.706	46%	0.458	S	S	*	.	H	α-helix	trans	-68.4	-31.3	-178	-62.6	172.9	-159.7	0	0	112.8	S485 F489 R491	S485-E487 PolarHBondContact O-N 3.02Å; E487-F489 VanDerWaalsContact C-N 3.27Å; E487-F489 PolarHBondContact O-N 3.37Å; E487-R491 PolarHBondContact O-N 3.11Å
488	D	56.3	Low	58.6	Low	37 Å²	37	93.2 Å²	93.2	20%	0.198	46%	0.463	C	S	.	.	H	α-helix	trans	-67.1	-26	175.3	-69.5	-49.5	0	0	0	112.4	R483 S485 P486 R491 L492	R483-D488 WeakPolarHBondContact CB-OD2 3.49Å; S485-D488 WeakPolarHBondContact CB-OD2 3.37Å; S485-D488 PolarHBondContact O-N 3.24Å; S485-D488 WeakPolarHBondContact OG-CB 3.43Å; S485-D488 PolarHBondContact OG-N 3.05Å; S485-D488 VanDerWaalsContact OG-N 3.1Å; S485-D488 PolarHBondContact OG-OD2 3.45Å; P486-D488 VanDerWaalsContact C-N 3.35Å; P486-D488 PolarHBondContact O-N 2.88Å; D488-R491 PolarHBondContact O-N 3.25Å; D488-L492 VanDerWaalsContact O-CB 3.32Å; D488-L492 WeakPolarHBondContact O-CB 3.35Å; D488-L492 VanDerWaalsContact O-CG 3.28Å; D488-L492 WeakPolarHBondContact O-CG 3.48Å; D488-L492 PolarHBondContact O-N 3.28Å
489	F	56.7	Low	58.7	Low	109 Å²	109	90.2 Å²	90.2	48%	0.478	44%	0.444	S	S	.	.	H	α-helix	trans	-68.4	-39.3	-178.5	-79.6	-83.2	0	0	0	113.2	S485 P486 E487 L492 R493	S485-F489 VanDerWaalsContact O-CD2 3.23Å; S485-F489 WeakPolarHBondContact O-CD2 3.22Å; P486-F489 PolarHBondContact O-N 2.76Å; E487-F489 VanDerWaalsContact C-N 3.27Å; E487-F489 PolarHBondContact O-N 3.37Å; F489-L492 PolarHBondContact O-N 3.06Å; F489-R493 PolarHBondContact O-N 3.21Å
490	D	57.1	Low	59.5	Low	81 Å²	81	91.8 Å²	91.8	43%	0.433	44%	0.438	S	S	.	.	H	α-helix	trans	-77.5	-33.2	177	-73.9	-39.8	0	0	0	111.5	L492 R493 E494	D490-L492 VanDerWaalsContact C-N 3.32Å; D490-L492 PolarHBondContact O-N 3.08Å; D490-R493 VanDerWaalsContact O-CB 3.32Å; D490-R493 WeakPolarHBondContact O-CB 3.41Å; D490-R493 PolarHBondContact O-N 2.72Å; D490-R493 VanDerWaalsContact O-N 3.09Å; D490-R493 IonicContact OD1-CZ 3.18Å; D490-R493 IonicContact OD1-NE 2.66Å; D490-R493 PolarHBondContact OD1-NE 3.18Å; D490-R493 IonicContact OD1-NH2 2.74Å; D490-R493 PolarHBondContact OD1-NH2 2.76Å; D490-E494 WeakPolarHBondContact O-CG 3.4Å; D490-E494 PolarHBondContact O-N 3.21Å
491	R	57.7	Low	60.7	Low	154 Å²	154	92.1 Å²	92.1	58%	0.581	44%	0.442	S	S	*	.	H	α-helix	trans	-59.3	-41.1	166.5	-70.2	179.9	171.6	-173	-1.9	112.2	E487 D488 R493 E494 L495	E487-R491 PolarHBondContact O-N 3.11Å; D488-R491 PolarHBondContact O-N 3.25Å; R491-R493 VanDerWaalsContact C-N 3.34Å; R491-E494 PolarHBondContact O-N 3.36Å; R491-L495 WeakPolarHBondContact O-CB 3.42Å; R491-L495 PolarHBondContact O-N 3.33Å
492	L	57.2	Low	62.2	Low	36 Å²	36	87.8 Å²	87.8	19%	0.188	41%	0.414	C	S	.	.	H	α-helix	trans	-66.4	-33.1	173.4	-79.6	164.5	0	0	0	112.5	I480 D488 F489 D490 G496	I480-L492 HydrophobicContact CB-CD2 3.97Å; I480-L492 HydrophobicContact CG2-CD2 3.63Å; I480-L492 HydrophobicContact CG2-CG 4.12Å; D488-L492 VanDerWaalsContact O-CB 3.32Å; D488-L492 WeakPolarHBondContact O-CB 3.35Å; D488-L492 VanDerWaalsContact O-CG 3.28Å; D488-L492 WeakPolarHBondContact O-CG 3.48Å; D488-L492 PolarHBondContact O-N 3.28Å; F489-L492 PolarHBondContact O-N 3.06Å; D490-L492 VanDerWaalsContact C-N 3.32Å; D490-L492 PolarHBondContact O-N 3.08Å; L492-G496 VanDerWaalsContact O-CA 3.25Å; L492-G496 WeakPolarHBondContact O-CA 3.41Å; L492-G496 PolarHBondContact O-N 3.26Å
493	R	59.5	Low	64	Low	121 Å²	121	80 Å²	80	46%	0.457	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-39.3	175	-166.7	-163.5	-53.8	-84.3	1.3	112.3	F489 D490 R491 S499	F489-R493 PolarHBondContact O-N 3.21Å; D490-R493 VanDerWaalsContact O-CB 3.32Å; D490-R493 WeakPolarHBondContact O-CB 3.41Å; D490-R493 PolarHBondContact O-N 2.72Å; D490-R493 VanDerWaalsContact O-N 3.09Å; D490-R493 IonicContact OD1-CZ 3.18Å; D490-R493 IonicContact OD1-NE 2.66Å; D490-R493 PolarHBondContact OD1-NE 3.18Å; D490-R493 IonicContact OD1-NH2 2.74Å; D490-R493 PolarHBondContact OD1-NH2 2.76Å; R491-R493 VanDerWaalsContact C-N 3.34Å; R493-S499 WeakPolarHBondContact O-CB 3.29Å
494	E	60.9	Low	66	Low	119 Å²	119	73.6 Å²	73.6	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-88.3	-37.1	-174.4	-68.9	-177.9	164.5	0	0	113.7	D490 R491 S499 V501	D490-E494 WeakPolarHBondContact O-CG 3.4Å; D490-E494 PolarHBondContact O-N 3.21Å; R491-E494 PolarHBondContact O-N 3.36Å; E494-S499 VanDerWaalsContact C-CB 3.49Å; E494-S499 VanDerWaalsContact O-CB 3.24Å; E494-S499 WeakPolarHBondContact O-CB 3.37Å; E494-S499 PolarHBondContact O-OG 3.14Å; E494-V501 WeakPolarHBondContact O-CG2 3.32Å
495	L	62.1	Low	67.9	Low	82 Å²	82	64.9 Å²	64.9	43%	0.429	32%	0.321	S	S	.	.	H	α-helix	trans	-116.7	-20	-172.6	-60.9	170.5	0	0	0	114	C477 I480 R491 S499 V501	C477-L495 WeakPolarHBondContact CA-O 3.48Å; C477-L495 VanDerWaalsContact CB-O 3.25Å; C477-L495 WeakPolarHBondContact CB-O 3.39Å; C477-L495 PolarHBondContact SG-O 2.75Å; I480-L495 HydrophobicContact CD1-CB 3.56Å; R491-L495 WeakPolarHBondContact O-CB 3.42Å; R491-L495 PolarHBondContact O-N 3.33Å; L495-S499 VanDerWaalsContact C-OG 3.3Å; L495-S499 PolarHBondContact O-OG 3.34Å; L495-V501 HydrophobicContact CD2-CB 4.49Å; L495-V501 HydrophobicContact CD2-CG1 4.44Å; L495-V501 HydrophobicContact CD2-CG2 4.2Å
496	G	61.7	Low	69.7	Low	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-72.6	-177.7	-172.6	0	0	0	0	0	115.8	C477 L492 G498 S499	C477-G496 CarbonylContact O-C 3.52Å; L492-G496 VanDerWaalsContact O-CA 3.25Å; L492-G496 WeakPolarHBondContact O-CA 3.41Å; L492-G496 PolarHBondContact O-N 3.26Å; G496-G498 PolarHBondContact O-N 3.29Å; G496-S499 WeakPolarHBondContact O-CB 3Å; G496-S499 PolarHBondContact O-N 3.36Å; G496-S499 PolarHBondContact O-OG 3Å
497	P	67.2	Low	71.5	Confident	81 Å²	81	59.6 Å²	59.6	53%	0.526	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	128.2	178.1	-23.2	34.9	0	0	0	111.7	C477 S499	C477-P497 WeakPolarHBondContact O-CD 3.37Å; P497-S499 VanDerWaalsContact C-N 3.28Å; P497-S499 PolarHBondContact O-N 2.78Å
498	G	70.4	Confident	73.3	Confident	11 Å²	11	55 Å²	55	11%	0.113	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	4.4	-175.5	0	0	0	0	0	115.3	G496	G496-G498 PolarHBondContact O-N 3.29Å
499	S	76	Confident	75.1	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.014	26%	0.259	C	S	.	.	S	Bend	trans	-65.9	165.6	167.1	66.8	0	0	0	0	112.7	R493 E494 L495 G496 P497 V501 H502 V503	R493-S499 WeakPolarHBondContact O-CB 3.29Å; E494-S499 VanDerWaalsContact C-CB 3.49Å; E494-S499 VanDerWaalsContact O-CB 3.24Å; E494-S499 WeakPolarHBondContact O-CB 3.37Å; E494-S499 PolarHBondContact O-OG 3.14Å; L495-S499 VanDerWaalsContact C-OG 3.3Å; L495-S499 PolarHBondContact O-OG 3.34Å; G496-S499 WeakPolarHBondContact O-CB 3Å; G496-S499 PolarHBondContact O-N 3.36Å; G496-S499 PolarHBondContact O-OG 3Å; P497-S499 VanDerWaalsContact C-N 3.28Å; P497-S499 PolarHBondContact O-N 2.78Å; S499-V501 PolarHBondContact O-N 3.15Å; S499-H502 WeakPolarHBondContact O-CB 3.33Å; S499-H502 PolarHBondContact O-N 3.21Å; S499-H502 PolarHBondContact OG-N 2.77Å; S499-H502 VanDerWaalsContact OG-N 3.11Å; S499-V503 VanDerWaalsContact O-CG2 3.3Å; S499-V503 WeakPolarHBondContact O-CG2 3.42Å; S499-V503 PolarHBondContact O-N 3.33Å
500	R	81.3	Confident	76.9	Confident	115 Å²	115	49 Å²	49	43%	0.434	24%	0.237	S	C	.	.	H	α-helix	trans	-56.8	-37.9	173.1	-171.4	179.3	176.5	-142.4	7.7	112.3	V503 E504 R577 G580	R500-V503 PolarHBondContact O-N 2.86Å; R500-E504 PolarHBondContact O-N 2.9Å; R500-R577 PolarHBondContact NE-O 3.25Å; R500-R577 PolarHBondContact NH2-O 2.99Å; R500-G580 WeakPolarHBondContact CA-O 3.33Å; R500-G580 WeakPolarHBondContact CB-O 3.49Å; R500-G580 PolarHBondContact N-O 2.89Å
501	V	84.3	Confident	78.7	Confident	54 Å²	54	45.7 Å²	45.7	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-68.7	-43	177.7	179.6	0	0	0	0	110.8	E494 L495 S499 V503 E504 A505	E494-V501 WeakPolarHBondContact O-CG2 3.32Å; L495-V501 HydrophobicContact CD2-CB 4.49Å; L495-V501 HydrophobicContact CD2-CG1 4.44Å; L495-V501 HydrophobicContact CD2-CG2 4.2Å; S499-V501 PolarHBondContact O-N 3.15Å; V501-V503 VanDerWaalsContact C-N 3.29Å; V501-V503 PolarHBondContact O-N 2.94Å; V501-E504 PolarHBondContact O-N 2.7Å; V501-A505 VanDerWaalsContact O-CB 3.24Å; V501-A505 WeakPolarHBondContact O-CB 3.32Å; V501-A505 PolarHBondContact O-N 2.84Å
502	H	84.8	Confident	80.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-40.5	172.6	-178.8	89.3	0	0	0	112	C477 S499 S506 A780	C477-H502 HydrophobicContact CB-CB 4.14Å; S499-H502 WeakPolarHBondContact O-CB 3.33Å; S499-H502 PolarHBondContact O-N 3.21Å; S499-H502 PolarHBondContact OG-N 2.77Å; S499-H502 VanDerWaalsContact OG-N 3.11Å; H502-S506 PolarHBondContact NE2-OG 2.95Å; H502-S506 VanDerWaalsContact O-CB 3.23Å; H502-S506 WeakPolarHBondContact O-CB 3.47Å; H502-S506 PolarHBondContact O-N 3.25Å; H502-S506 PolarHBondContact O-OG 3.01Å; H502-A780 PolarHBondContact NE2-O 3.04Å
503	V	88.1	Confident	82.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-48.6	178.1	173.6	0	0	0	0	112	S499 R500 V501 S506 R507 L620 M664 T666	S499-V503 VanDerWaalsContact O-CG2 3.3Å; S499-V503 WeakPolarHBondContact O-CG2 3.42Å; S499-V503 PolarHBondContact O-N 3.33Å; R500-V503 PolarHBondContact O-N 2.86Å; V501-V503 VanDerWaalsContact C-N 3.29Å; V501-V503 PolarHBondContact O-N 2.94Å; V503-S506 PolarHBondContact O-N 2.97Å; V503-R507 WeakPolarHBondContact O-CB 3.44Å; V503-R507 PolarHBondContact O-N 3.48Å; V503-L620 HydrophobicContact CG1-CD2 3.43Å; V503-L620 VanDerWaalsContact CG1-CD2 3.43Å; V503-M664 HydrophobicContact CB-CE 4.08Å; V503-M664 HydrophobicContact CG1-CE 4.27Å; V503-M664 HydrophobicContact CG2-CE 3.6Å; V503-T666 HydrophobicContact CG2-CG2 4.39Å
504	E	89	Confident	84	Confident	47 Å²	47	32.7 Å²	32.7	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-72.4	-34	179.8	-78.5	-68.1	-178	0	0	113.2	R500 V501 R507 T508	R500-E504 PolarHBondContact O-N 2.9Å; V501-E504 PolarHBondContact O-N 2.7Å; E504-R507 PolarHBondContact O-N 2.89Å; E504-R507 IonicContact OE1-NH1 3.65Å; E504-R507 WeakPolarHBondContact OE2-CD 3.44Å; E504-R507 IonicContact OE2-CZ 3.55Å; E504-R507 IonicContact OE2-NE 3.33Å; E504-R507 IonicContact OE2-NH1 3.9Å; E504-R507 PolarHBondContact OE2-NH1 2.85Å; E504-T508 WeakPolarHBondContact O-CB 3.48Å; E504-T508 PolarHBondContact O-N 2.96Å; E504-T508 PolarHBondContact O-OG1 3.48Å
505	A	90.5	Very high	85.6	Confident	10 Å²	10	31.6 Å²	31.6	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-41.3	171.1	0	0	0	0	0	111.3	A473 L474 V501 R507 T508 M509	A473-A505 HydrophobicContact CB-CB 4.03Å; L474-A505 HydrophobicContact CD2-CB 3.78Å; L474-A505 HydrophobicContact CG-CB 3.86Å; V501-A505 VanDerWaalsContact O-CB 3.24Å; V501-A505 WeakPolarHBondContact O-CB 3.32Å; V501-A505 PolarHBondContact O-N 2.84Å; A505-R507 VanDerWaalsContact C-N 3.34Å; A505-R507 PolarHBondContact O-N 3.1Å; A505-T508 PolarHBondContact O-N 3.25Å; A505-M509 VanDerWaalsContact O-CB 3.29Å; A505-M509 WeakPolarHBondContact O-CB 3.43Å; A505-M509 PolarHBondContact O-N 3.01Å
506	S	92.3	Very high	87.1	Confident	8 Å²	8	31.5 Å²	31.5	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-38.4	174.4	-64.5	0	0	0	0	112.3	L474 H502 V503 L510	L474-S506 VanDerWaalsContact CD2-OG 3.32Å; L474-S506 WeakPolarHBondContact CD2-OG 3.47Å; H502-S506 PolarHBondContact NE2-OG 2.95Å; H502-S506 VanDerWaalsContact O-CB 3.23Å; H502-S506 WeakPolarHBondContact O-CB 3.47Å; H502-S506 PolarHBondContact O-N 3.25Å; H502-S506 PolarHBondContact O-OG 3.01Å; V503-S506 PolarHBondContact O-N 2.97Å; S506-L510 PolarHBondContact O-N 2.9Å; S506-L510 VanDerWaalsContact O-N 3.09Å
507	R	93.6	Very high	88.6	Confident	33 Å²	33	34 Å²	34	13%	0.125	17%	0.169	C	C	.	.	H	α-helix	trans	-69.2	-42.9	176.6	172.6	172.8	166.7	-85.4	-10	111.8	V503 E504 A505 L510 I511 I604 F782	V503-R507 WeakPolarHBondContact O-CB 3.44Å; V503-R507 PolarHBondContact O-N 3.48Å; E504-R507 PolarHBondContact O-N 2.89Å; E504-R507 IonicContact OE1-NH1 3.65Å; E504-R507 WeakPolarHBondContact OE2-CD 3.44Å; E504-R507 IonicContact OE2-CZ 3.55Å; E504-R507 IonicContact OE2-NE 3.33Å; E504-R507 IonicContact OE2-NH1 3.9Å; E504-R507 PolarHBondContact OE2-NH1 2.85Å; A505-R507 VanDerWaalsContact C-N 3.34Å; A505-R507 PolarHBondContact O-N 3.1Å; R507-L510 PolarHBondContact O-N 3.3Å; R507-I511 HydrophobicContact CG-CD1 3.82Å; R507-I511 WeakPolarHBondContact O-CG1 3.48Å; R507-I511 PolarHBondContact O-N 2.72Å; R507-I604 HydrophobicContact CG-CD1 4.15Å; R507-F782 HydrophobicContact CB-CE2 3.96Å; R507-F782 HydrophobicContact CB-CZ 4.28Å
508	T	92.8	Very high	89.8	Confident	53 Å²	53	30.2 Å²	30.2	33%	0.325	14%	0.144	S	C	.	.	H	α-helix	trans	-64.1	-45.5	177.4	-58.3	0	0	0	0	111	V466 A470 E504 A505 L510 I511 A512	V466-T508 HydrophobicContact CG1-CG2 3.94Å; A470-T508 HydrophobicContact CB-CG2 4.27Å; E504-T508 WeakPolarHBondContact O-CB 3.48Å; E504-T508 PolarHBondContact O-N 2.96Å; E504-T508 PolarHBondContact O-OG1 3.48Å; A505-T508 PolarHBondContact O-N 3.25Å; T508-L510 PolarHBondContact O-N 2.67Å; T508-I511 PolarHBondContact O-N 2.78Å; T508-A512 WeakPolarHBondContact O-CB 3.13Å; T508-A512 PolarHBondContact O-N 3.13Å
509	M	94.1	Very high	90.8	Very high	19 Å²	19	30.2 Å²	30.2	9%	0.094	14%	0.141	C	C	.	.	H	α-helix	trans	-53.4	-50	171.7	173.6	61	70.5	0	0	112	I467 A470 S471 L474 A505 C513	I467-M509 HydrophobicContact CG2-CE 4.38Å; I467-M509 HydrophobicContact CG2-SD 4.04Å; I467-M509 VanDerWaalsContact O-CE 3.28Å; I467-M509 WeakPolarHBondContact O-CE 3.39Å; A470-M509 HydrophobicContact CB-CB 4.03Å; A470-M509 HydrophobicContact CB-CE 4.05Å; S471-M509 VanDerWaalsContact N-CE 3.35Å; L474-M509 HydrophobicContact CD1-CB 4.1Å; L474-M509 HydrophobicContact CD1-CE 4.26Å; L474-M509 HydrophobicContact CD1-CG 4.29Å; A505-M509 VanDerWaalsContact O-CB 3.29Å; A505-M509 WeakPolarHBondContact O-CB 3.43Å; A505-M509 PolarHBondContact O-N 3.01Å; M509-C513 WeakPolarHBondContact O-CB 3.37Å; M509-C513 PolarHBondContact O-N 2.73Å; M509-C513 VanDerWaalsContact O-N 3.07Å; M509-C513 PolarHBondContact O-SG 2.57Å
510	L	95.2	Very high	91.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-58	-53.4	177.8	174.8	66.3	0	0	0	111.2	S506 R507 T508 A512 C513 Q514 I604 Y662 L752 F782	S506-L510 PolarHBondContact O-N 2.9Å; S506-L510 VanDerWaalsContact O-N 3.09Å; R507-L510 PolarHBondContact O-N 3.3Å; T508-L510 PolarHBondContact O-N 2.67Å; L510-A512 PolarHBondContact O-N 3.33Å; L510-C513 PolarHBondContact O-N 2.85Å; L510-Q514 HydrophobicContact CD1-CG 4Å; L510-Q514 HydrophobicContact CG-CG 4.47Å; L510-Q514 VanDerWaalsContact O-CG 3.3Å; L510-Q514 WeakPolarHBondContact O-CG 3.43Å; L510-Q514 PolarHBondContact O-N 3.17Å; L510-I604 HydrophobicContact CD2-CG2 3.91Å; L510-Y662 HydrophobicContact CD1-CD1 3.8Å; L510-Y662 HydrophobicContact CD1-CE1 3.67Å; L510-Y662 HydrophobicContact CD1-CE2 4.41Å; L510-Y662 HydrophobicContact CD1-CG 4.26Å; L510-Y662 HydrophobicContact CD2-CD1 4.03Å; L510-Y662 HydrophobicContact CD2-CD2 4.09Å; L510-Y662 HydrophobicContact CD2-CG 3.74Å; L510-L752 HydrophobicContact CD1-CD1 4.49Å; L510-F782 HydrophobicContact CD2-CB 3.87Å; L510-F782 HydrophobicContact CD2-CD1 4.24Å; L510-F782 HydrophobicContact CD2-CD2 4.45Å; L510-F782 HydrophobicContact CD2-CG 3.93Å
511	I	94.8	Very high	91.9	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.062	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-45.4	-175.3	-67.4	162.6	0	0	0	110.9	R507 T508 Q514 R515 I604	R507-I511 HydrophobicContact CG-CD1 3.82Å; R507-I511 WeakPolarHBondContact O-CG1 3.48Å; R507-I511 PolarHBondContact O-N 2.72Å; T508-I511 PolarHBondContact O-N 2.78Å; I511-Q514 PolarHBondContact O-N 3.07Å; I511-R515 HydrophobicContact CG2-CG 4.35Å; I511-R515 WeakPolarHBondContact O-CB 2.86Å; I511-R515 WeakPolarHBondContact O-CG 3.29Å; I511-R515 PolarHBondContact O-N 3.43Å; I511-I604 HydrophobicContact CD1-CD1 4.26Å
512	A	94.2	Very high	92.1	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-40.7	-179	0	0	0	0	0	112.6	E463 V466 I467 T508 L510 Q514 R515 R516	E463-A512 VanDerWaalsContact OE2-CA 3.29Å; E463-A512 WeakPolarHBondContact OE2-CA 3.47Å; E463-A512 WeakPolarHBondContact OE2-CB 3.41Å; V466-A512 HydrophobicContact CB-CB 4.08Å; V466-A512 HydrophobicContact CG1-CB 3.74Å; I467-A512 HydrophobicContact CD1-CB 4.49Å; I467-A512 HydrophobicContact CG1-CB 3.68Å; T508-A512 WeakPolarHBondContact O-CB 3.13Å; T508-A512 PolarHBondContact O-N 3.13Å; L510-A512 PolarHBondContact O-N 3.33Å; A512-Q514 PolarHBondContact O-N 2.66Å; A512-R515 PolarHBondContact O-N 2.98Å; A512-R516 WeakPolarHBondContact O-CB 3.43Å; A512-R516 PolarHBondContact O-N 3.26Å
513	C	95.5	Very high	92.3	Very high	28 Å²	28	30.8 Å²	30.8	19%	0.189	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-45.7	171.9	-79.2	0	0	0	0	112.3	M509 L510 R516 Q517	M509-C513 WeakPolarHBondContact O-CB 3.37Å; M509-C513 PolarHBondContact O-N 2.73Å; M509-C513 VanDerWaalsContact O-N 3.07Å; M509-C513 PolarHBondContact O-SG 2.57Å; L510-C513 PolarHBondContact O-N 2.85Å; C513-R516 PolarHBondContact O-N 3.26Å; C513-Q517 PolarHBondContact O-N 3.25Å
514	Q	95.4	Very high	92.3	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-69.7	-35.8	179.8	-62.4	-56.9	-26.1	0	0	112.6	L510 I511 A512 Q517 V518 L615 Y662	L510-Q514 HydrophobicContact CD1-CG 4Å; L510-Q514 HydrophobicContact CG-CG 4.47Å; L510-Q514 VanDerWaalsContact O-CG 3.3Å; L510-Q514 WeakPolarHBondContact O-CG 3.43Å; L510-Q514 PolarHBondContact O-N 3.17Å; I511-Q514 PolarHBondContact O-N 3.07Å; A512-Q514 PolarHBondContact O-N 2.66Å; Q514-Q517 PolarHBondContact O-N 3.2Å; Q514-V518 PolarHBondContact O-N 3.12Å; Q514-L615 HydrophobicContact CB-CD1 3.41Å; Q514-L615 VanDerWaalsContact CB-CD1 3.41Å; Q514-Y662 PolarHBondContact NE2-OH 3.26Å
515	R	94.3	Very high	92.1	Very high	95 Å²	95	32.9 Å²	32.9	36%	0.358	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-47.6	173.1	-76	-177.5	-176.1	175.6	3.4	111.4	E463 I511 A512 Q517 V518 L519 L615	E463-R515 VanDerWaalsContact CD-CD 3.5Å; E463-R515 HydrophobicContact CG-CB 4.11Å; E463-R515 WeakPolarHBondContact OE1-CD 3.23Å; E463-R515 IonicContact OE1-CZ 3.73Å; E463-R515 IonicContact OE1-NE 3.65Å; E463-R515 IonicContact OE1-NH1 2.67Å; E463-R515 PolarHBondContact OE1-NH1 2.87Å; I511-R515 HydrophobicContact CG2-CG 4.35Å; I511-R515 WeakPolarHBondContact O-CB 2.86Å; I511-R515 WeakPolarHBondContact O-CG 3.29Å; I511-R515 PolarHBondContact O-N 3.43Å; A512-R515 PolarHBondContact O-N 2.98Å; R515-Q517 VanDerWaalsContact C-N 3.25Å; R515-Q517 PolarHBondContact O-N 3.27Å; R515-V518 VanDerWaalsContact O-CG2 3.23Å; R515-V518 WeakPolarHBondContact O-CG2 3.43Å; R515-V518 PolarHBondContact O-N 3.48Å; R515-L519 VanDerWaalsContact O-CG 3.29Å; R515-L519 WeakPolarHBondContact O-CG 3.12Å; R515-L519 PolarHBondContact O-N 2.76Å; R515-L615 HydrophobicContact CG-CB 4.2Å; R515-L615 HydrophobicContact CG-CD1 4.27Å; R515-L615 HydrophobicContact CG-CD2 4.04Å; R515-L615 HydrophobicContact CG-CG 4.42Å
516	R	94.5	Very high	91.7	Very high	80 Å²	80	32.5 Å²	32.5	30%	0.302	16%	0.162	S	C	.	.	H	α-helix	trans	-58.4	-38.4	175.5	-176.6	172.7	169.7	-170.3	-4.3	111.9	I460 E463 I467 A512 C513 M520	I460-R516 HydrophobicContact CG2-CG 4.32Å; E463-R516 HydrophobicContact CB-CB 4.17Å; I467-R516 HydrophobicContact CD1-CB 4.26Å; A512-R516 WeakPolarHBondContact O-CB 3.43Å; A512-R516 PolarHBondContact O-N 3.26Å; C513-R516 PolarHBondContact O-N 3.26Å; R516-M520 HydrophobicContact CG-SD 4.05Å; R516-M520 WeakPolarHBondContact O-CG 3.34Å; R516-M520 PolarHBondContact O-N 3.04Å
517	Q	92.9	Very high	91.4	Very high	53 Å²	53	38 Å²	38	25%	0.248	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-51.2	175.5	-172.3	179.3	5.5	0	0	112	C513 Q514 R515 L519 M520 E521	C513-Q517 PolarHBondContact O-N 3.25Å; Q514-Q517 PolarHBondContact O-N 3.2Å; R515-Q517 VanDerWaalsContact C-N 3.25Å; R515-Q517 PolarHBondContact O-N 3.27Å; Q517-L519 VanDerWaalsContact C-N 3.33Å; Q517-L519 PolarHBondContact O-N 3.32Å; Q517-M520 PolarHBondContact O-N 3.29Å; Q517-E521 PolarHBondContact O-N 3.22Å
518	V	91.1	Very high	91	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-31.1	-178.7	-61.7	0	0	0	0	113	Q514 R515 E521 E522 K608 G613 L615	Q514-V518 PolarHBondContact O-N 3.12Å; R515-V518 VanDerWaalsContact O-CG2 3.23Å; R515-V518 WeakPolarHBondContact O-CG2 3.43Å; R515-V518 PolarHBondContact O-N 3.48Å; V518-E521 WeakPolarHBondContact O-CB 3.4Å; V518-E521 PolarHBondContact O-N 3.47Å; V518-E522 PolarHBondContact O-N 3.09Å; V518-K608 HydrophobicContact CG1-CB 4Å; V518-K608 HydrophobicContact CG1-CD 3.94Å; V518-K608 HydrophobicContact CG1-CG 3.82Å; V518-G613 WeakPolarHBondContact O-CA 3.33Å; V518-L615 HydrophobicContact CG2-CB 4.08Å
519	L	91.9	Very high	89.9	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-34.9	173.8	-66.6	166.5	0	0	0	112	L456 L459 I460 E463 R515 Q517 L523	L456-L519 HydrophobicContact CD2-CB 4.15Å; L456-L519 HydrophobicContact CD2-CD2 3.54Å; L456-L519 HydrophobicContact CD2-CG 4.45Å; L459-L519 HydrophobicContact CB-CD1 3.86Å; L459-L519 HydrophobicContact CB-CD2 4.28Å; L459-L519 HydrophobicContact CD1-CD2 3.99Å; I460-L519 HydrophobicContact CD1-CB 4.29Å; I460-L519 HydrophobicContact CG1-CB 3.69Å; I460-L519 HydrophobicContact CG1-CD1 4.48Å; E463-L519 HydrophobicContact CG-CD1 4.09Å; R515-L519 VanDerWaalsContact O-CG 3.29Å; R515-L519 WeakPolarHBondContact O-CG 3.12Å; R515-L519 PolarHBondContact O-N 2.76Å; Q517-L519 VanDerWaalsContact C-N 3.33Å; Q517-L519 PolarHBondContact O-N 3.32Å; L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 3.28Å
520	M	91.6	Very high	88.6	Confident	95 Å²	95	45.9 Å²	45.9	47%	0.468	23%	0.225	S	C	.	.	H	α-helix	trans	-72.3	-34.6	173.1	-72.7	176.3	59.3	0	0	112.2	I460 R516 Q517 L523 A524	I460-M520 HydrophobicContact CD1-CG 3.91Å; I460-M520 HydrophobicContact CG1-CG 4.27Å; I460-M520 HydrophobicContact CG2-CG 4.39Å; R516-M520 HydrophobicContact CG-SD 4.05Å; R516-M520 WeakPolarHBondContact O-CG 3.34Å; R516-M520 PolarHBondContact O-N 3.04Å; Q517-M520 PolarHBondContact O-N 3.29Å; M520-L523 PolarHBondContact O-N 3.25Å; M520-A524 WeakPolarHBondContact O-CB 3.33Å; M520-A524 PolarHBondContact O-N 3.03Å
521	E	90.2	Very high	86.8	Confident	57 Å²	57	49 Å²	49	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-48.1	171.1	-170.9	-173	150.2	0	0	111.1	Q517 V518 A524 L525 R610 G611	Q517-E521 PolarHBondContact O-N 3.22Å; V518-E521 WeakPolarHBondContact O-CB 3.4Å; V518-E521 PolarHBondContact O-N 3.47Å; E521-A524 PolarHBondContact O-N 3.17Å; E521-L525 HydrophobicContact CG-CD1 4.22Å; E521-L525 WeakPolarHBondContact O-CG 3.19Å; E521-L525 PolarHBondContact O-N 2.97Å; E521-L525 VanDerWaalsContact O-N 3.09Å; E521-R610 WeakPolarHBondContact OE1-CD 3.23Å; E521-G611 WeakPolarHBondContact OE1-CA 3.05Å; E521-G611 PolarHBondContact OE1-N 2.95Å
522	E	87.4	Confident	84.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-48.8	175.2	-170	-177.2	171	0	0	111.5	R452 L456 V518 A524 L525 L526 L533 G611 G613	R452-E522 WeakPolarHBondContact CG-OE1 3.3Å; R452-E522 IonicContact CZ-OE1 2.73Å; R452-E522 IonicContact CZ-OE2 3.11Å; R452-E522 IonicContact NE-OE1 3.31Å; R452-E522 PolarHBondContact NE-OE1 3.18Å; R452-E522 IonicContact NE-OE2 3.21Å; R452-E522 PolarHBondContact NE-OE2 3.38Å; R452-E522 IonicContact NH2-OE1 3.86Å; R452-E522 IonicContact NH2-OE2 3.12Å; R452-E522 PolarHBondContact NH2-OE2 3.38Å; L456-E522 HydrophobicContact CD1-CB 4.21Å; L456-E522 HydrophobicContact CD1-CG 3.91Å; V518-E522 PolarHBondContact O-N 3.09Å; E522-A524 VanDerWaalsContact C-N 3.35Å; E522-A524 PolarHBondContact O-N 3.47Å; E522-L525 PolarHBondContact O-N 3.22Å; E522-L526 HydrophobicContact CG-CD1 4.01Å; E522-L526 HydrophobicContact CG-CG 4.3Å; E522-L526 WeakPolarHBondContact O-CG 3.22Å; E522-L526 PolarHBondContact O-N 2.94Å; E522-L533 HydrophobicContact CG-CD1 4.07Å; E522-L533 HydrophobicContact CG-CD2 4.39Å; E522-G611 WeakPolarHBondContact CA-O 3.31Å; E522-G611 WeakPolarHBondContact CB-O 3.2Å; E522-G611 VanDerWaalsContact CG-O 3.3Å; E522-G611 WeakPolarHBondContact CG-O 3.42Å; E522-G613 WeakPolarHBondContact OE2-CA 3.37Å
523	L	89.2	Confident	83.2	Confident	33 Å²	33	51.2 Å²	51.2	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-44.2	179.8	-176.5	60.2	0	0	0	112	L453 L456 I460 L519 M520 L525 L526 H527	L453-L523 HydrophobicContact CD2-CD1 3.84Å; L456-L523 HydrophobicContact CB-CD1 4.23Å; L456-L523 HydrophobicContact CD1-CB 4.09Å; L456-L523 HydrophobicContact CD1-CD1 4.24Å; I460-L523 HydrophobicContact CD1-CB 4.47Å; I460-L523 HydrophobicContact CD1-CD2 3.79Å; L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 3.28Å; M520-L523 PolarHBondContact O-N 3.25Å; L523-L525 VanDerWaalsContact C-N 3.34Å; L523-L525 PolarHBondContact O-N 3.39Å; L523-L526 PolarHBondContact O-N 3.2Å; L523-H527 VanDerWaalsContact CD1-CE1 3.43Å; L523-H527 WeakPolarHBondContact CD1-CE1 3.23Å; L523-H527 PolarHBondContact O-N 2.99Å; L523-H527 VanDerWaalsContact O-N 3.08Å; L523-H527 PolarHBondContact O-ND1 3.44Å
524	A	88.7	Confident	81.4	Confident	42 Å²	42	51.2 Å²	51.2	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-38.5	177.7	0	0	0	0	0	112.5	M520 E521 E522 R528	M520-A524 WeakPolarHBondContact O-CB 3.33Å; M520-A524 PolarHBondContact O-N 3.03Å; E521-A524 PolarHBondContact O-N 3.17Å; E522-A524 VanDerWaalsContact C-N 3.35Å; E522-A524 PolarHBondContact O-N 3.47Å; A524-R528 VanDerWaalsContact O-CG 3.29Å; A524-R528 WeakPolarHBondContact O-CG 3.49Å; A524-R528 PolarHBondContact O-N 2.93Å
525	L	84.4	Confident	79.5	Confident	49 Å²	49	51.3 Å²	51.3	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-74.1	-37.7	178.3	-71.9	169	0	0	0	112.7	E521 E522 L523 H527 R528 S530 L533 G611	E521-L525 HydrophobicContact CG-CD1 4.22Å; E521-L525 WeakPolarHBondContact O-CG 3.19Å; E521-L525 PolarHBondContact O-N 2.97Å; E521-L525 VanDerWaalsContact O-N 3.09Å; E522-L525 PolarHBondContact O-N 3.22Å; L523-L525 VanDerWaalsContact C-N 3.34Å; L523-L525 PolarHBondContact O-N 3.39Å; L525-H527 VanDerWaalsContact C-N 3.32Å; L525-H527 PolarHBondContact O-N 3.41Å; L525-R528 PolarHBondContact O-N 3.45Å; L525-S530 VanDerWaalsContact O-CB 3.23Å; L525-S530 WeakPolarHBondContact O-CB 3.44Å; L525-S530 PolarHBondContact O-N 3.15Å; L525-L533 HydrophobicContact CB-CD1 3.58Å; L525-G611 VanDerWaalsContact CD1-CA 3.46Å
526	L	82.8	Confident	77.8	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-36	173.1	-70	169.4	0	0	0	112.1	R449 R452 L453 L456 E522 L523 L533	R449-L526 HydrophobicContact CG-CD2 3.88Å; R449-L526 PolarHBondContact NE-O 3.19Å; R449-L526 PolarHBondContact NH2-O 2.93Å; R452-L526 HydrophobicContact CB-CD1 4.29Å; R452-L526 HydrophobicContact CG-CD1 3.84Å; L453-L526 HydrophobicContact CD2-CB 3.45Å; L453-L526 VanDerWaalsContact CD2-CB 3.45Å; L453-L526 HydrophobicContact CD2-CD1 3.99Å; L453-L526 HydrophobicContact CD2-CG 4.36Å; L453-L526 HydrophobicContact CG-CB 3.96Å; L453-L526 HydrophobicContact CG-CD1 4.15Å; L456-L526 HydrophobicContact CD1-CD1 3.31Å; E522-L526 HydrophobicContact CG-CD1 4.01Å; E522-L526 HydrophobicContact CG-CG 4.3Å; E522-L526 WeakPolarHBondContact O-CG 3.22Å; E522-L526 PolarHBondContact O-N 2.94Å; L523-L526 PolarHBondContact O-N 3.2Å; L526-L533 HydrophobicContact CB-CD1 4.42Å; L526-L533 HydrophobicContact CD2-CB 3.66Å; L526-L533 HydrophobicContact CD2-CD1 3.64Å; L526-L533 HydrophobicContact CD2-CG 4.31Å; L526-L533 HydrophobicContact CG-CB 4.46Å; L526-L533 HydrophobicContact CG-CD1 3.57Å
527	H	84.9	Confident	76	Confident	124 Å²	124	45.6 Å²	45.6	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-67.8	-41.2	173.5	-71.1	146.5	0	0	0	112.1	L523 L525 G529	L523-H527 VanDerWaalsContact CD1-CE1 3.43Å; L523-H527 WeakPolarHBondContact CD1-CE1 3.23Å; L523-H527 PolarHBondContact O-N 2.99Å; L523-H527 VanDerWaalsContact O-N 3.08Å; L523-H527 PolarHBondContact O-ND1 3.44Å; L525-H527 VanDerWaalsContact C-N 3.32Å; L525-H527 PolarHBondContact O-N 3.41Å; H527-G529 PolarHBondContact O-N 3.15Å
528	R	84.4	Confident	74.1	Confident	206 Å²	206	51.4 Å²	51.4	78%	0.777	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	3	-177.9	-78.2	174.7	178.3	177.8	0.8	116.3	A524 L525	A524-R528 VanDerWaalsContact O-CG 3.29Å; A524-R528 WeakPolarHBondContact O-CG 3.49Å; A524-R528 PolarHBondContact O-N 2.93Å; L525-R528 PolarHBondContact O-N 3.45Å
529	G	69.7	Low	72.4	Confident	37 Å²	37	54.1 Å²	54.1	38%	0.381	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	3.3	-178.7	0	0	0	0	0	115	H527 P531	H527-G529 PolarHBondContact O-N 3.15Å; G529-P531 WeakPolarHBondContact O-CD 3.29Å
530	S	67.8	Low	71.1	Confident	27 Å²	27	57.1 Å²	57.1	19%	0.189	31%	0.309	C	S	.	.			trans	-60.4	123.7	-176.1	-172.6	0	0	0	0	111.6	L525 V532	L525-S530 VanDerWaalsContact O-CB 3.23Å; L525-S530 WeakPolarHBondContact O-CB 3.44Å; L525-S530 PolarHBondContact O-N 3.15Å; S530-V532 PolarHBondContact O-N 3.08Å; S530-V532 PolarHBondContact OG-N 3.27Å
531	P	56.5	Low	69.7	Low	67 Å²	67	54.8 Å²	54.8	44%	0.435	30%	0.3	S	S	.	.	S	Bend	trans	-74.6	-13.7	170.9	30.8	-33.9	0	0	0	112.2	G529 L533	G529-P531 WeakPolarHBondContact O-CD 3.29Å; P531-L533 PolarHBondContact O-N 2.9Å
532	V	55.4	Low	68.8	Low	57 Å²	57	52.3 Å²	52.3	35%	0.345	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	27.5	-162	-168.4	0	0	0	0	113.1	S530 D654	S530-V532 PolarHBondContact O-N 3.08Å; S530-V532 PolarHBondContact OG-N 3.27Å; V532-D654 WeakPolarHBondContact CG1-OD2 2.93Å
533	L	59	Low	68.2	Low	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	14	-172.3	-65.6	179.1	0	0	0	114.6	Y287 E522 L525 L526 P531 G611	Y287-L533 WeakPolarHBondContact CE1-O 3.15Å; Y287-L533 PolarHBondContact OH-O 3.26Å; E522-L533 HydrophobicContact CG-CD1 4.07Å; E522-L533 HydrophobicContact CG-CD2 4.39Å; L525-L533 HydrophobicContact CB-CD1 3.58Å; L526-L533 HydrophobicContact CB-CD1 4.42Å; L526-L533 HydrophobicContact CD2-CB 3.66Å; L526-L533 HydrophobicContact CD2-CD1 3.64Å; L526-L533 HydrophobicContact CD2-CG 4.31Å; L526-L533 HydrophobicContact CG-CB 4.46Å; L526-L533 HydrophobicContact CG-CD1 3.57Å; P531-L533 PolarHBondContact O-N 2.9Å; L533-G611 VanDerWaalsContact CD2-C 3.47Å; L533-G611 WeakPolarHBondContact CD2-O 3.45Å
534	V	57.5	Low	67.6	Low	28 Å²	28	52 Å²	52	17%	0.17	29%	0.285	C	S	.	.	S	Bend	trans	-105.4	111.5	173.1	-179.5	0	0	0	0	108.9	E445 R448	E445-V534 HydrophobicContact CG-CB 4.19Å; E445-V534 HydrophobicContact CG-CG1 4.38Å; E445-V534 HydrophobicContact CG-CG2 3.85Å; R448-V534 HydrophobicContact CB-CG1 4.33Å
535	P	56.3	Low	67.1	Low	10 Å²	10	52 Å²	52	7%	0.065	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.4	145.2	-177.9	-20.8	33.5	0	0	0	111.8	Y287 Y288 R448 T537 P650	Y287-P535 HydrophobicContact CD1-CG 4.18Å; Y287-P535 VanDerWaalsContact CE1-CD 3.48Å; Y287-P535 HydrophobicContact CE1-CG 3.93Å; Y288-P535 HydrophobicContact CD1-CB 4.08Å; Y288-P535 HydrophobicContact CD1-CG 3.6Å; Y288-P535 HydrophobicContact CE1-CB 4.01Å; Y288-P535 HydrophobicContact CE1-CG 3.22Å; Y288-P535 HydrophobicContact CG-CG 4.47Å; R448-P535 PolarHBondContact NH1-O 3.21Å; P535-T537 PolarHBondContact O-N 2.85Å; P535-P650 HydrophobicContact CB-CG 3.72Å
536	P	56.8	Low	67	Low	22 Å²	22	49.9 Å²	49.9	14%	0.143	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.3	132.8	177.9	22.9	-32.5	0	0	0	111.7	D540 P650	P536-D540 WeakPolarHBondContact CA-OD2 3.46Å; P536-D540 HydrophobicContact CB-CB 4.37Å; P536-P650 HydrophobicContact CG-CB 3.75Å; P536-P650 HydrophobicContact CG-CG 3.84Å
537	T	57.4	Low	67.1	Low	34 Å²	34	53.5 Å²	53.5	21%	0.209	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.2	173	-173.7	64.6	0	0	0	0	112.8	P535 G539 D540	P535-T537 PolarHBondContact O-N 2.85Å; T537-G539 PolarHBondContact O-N 2.96Å; T537-G539 VanDerWaalsContact O-N 3.09Å; T537-G539 PolarHBondContact OG1-N 3.09Å; T537-D540 WeakPolarHBondContact CA-OD2 3.12Å; T537-D540 WeakPolarHBondContact CB-OD2 3.44Å; T537-D540 PolarHBondContact N-OD2 3.34Å; T537-D540 PolarHBondContact OG1-N 3.05Å; T537-D540 PolarHBondContact OG1-OD2 2.73Å
538	R	53.4	Low	67.2	Low	175 Å²	175	47.9 Å²	47.9	66%	0.66	26%	0.255	S	S	*	.	S	Bend	trans	-81.5	66.7	159.1	-61.3	177.3	81.5	-168.8	2.9	108.8
539	G	56.1	Low	67.2	Low	58 Å²	58	39.6 Å²	39.6	60%	0.598	23%	0.229	S	C	*	.	S	Bend	trans	-167.9	-39.7	-175.3	0	0	0	0	0	112	T537	T537-G539 PolarHBondContact O-N 2.96Å; T537-G539 VanDerWaalsContact O-N 3.09Å; T537-G539 PolarHBondContact OG1-N 3.09Å
540	D	64.2	Low	68.1	Low	74 Å²	74	38.3 Å²	38.3	40%	0.396	21%	0.214	S	C	.	.	S	Bend	trans	-59.8	144.6	173.4	-56.5	-60.4	0	0	0	111.6	P536 T537 I542	P536-D540 WeakPolarHBondContact CA-OD2 3.46Å; P536-D540 HydrophobicContact CB-CB 4.37Å; T537-D540 WeakPolarHBondContact CA-OD2 3.12Å; T537-D540 WeakPolarHBondContact CB-OD2 3.44Å; T537-D540 PolarHBondContact N-OD2 3.34Å; T537-D540 PolarHBondContact OG1-N 3.05Å; T537-D540 PolarHBondContact OG1-OD2 2.73Å; D540-I542 VanDerWaalsContact C-N 3.3Å; D540-I542 PolarHBondContact O-N 3.03Å
541	P	61.8	Low	69.2	Low	45 Å²	45	37 Å²	37	29%	0.292	21%	0.205	S	C	.	.	S	Bend	trans	-69.7	-26.4	-168.8	26.7	-35.3	0	0	0	113.8	A860 K861	P541-A860 WeakPolarHBondContact O-CA 3.39Å; P541-K861 PolarHBondContact O-N 3.28Å; P541-K861 VanDerWaalsContact O-N 3.13Å
542	I	71.3	Confident	70.8	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.3	-177.8	-61.3	155.4	0	0	0	108.5	D540 L858 A889 S1029 L1030 W1033	D540-I542 VanDerWaalsContact C-N 3.3Å; D540-I542 PolarHBondContact O-N 3.03Å; I542-L858 HydrophobicContact CG2-CD2 4.17Å; I542-A889 HydrophobicContact CD1-CB 4.14Å; I542-A889 HydrophobicContact CG1-CB 3.47Å; I542-A889 VanDerWaalsContact CG1-CB 3.47Å; I542-S1029 WeakPolarHBondContact CD1-O 3.47Å; I542-L1030 HydrophobicContact CD1-CB 4.35Å; I542-L1030 HydrophobicContact CD1-CD2 3.79Å; I542-L1030 HydrophobicContact CD1-CG 3.84Å; I542-W1033 HydrophobicContact CB-CG 4.26Å; I542-W1033 HydrophobicContact CD1-CB 4.12Å; I542-W1033 HydrophobicContact CG2-CB 4.37Å; I542-W1033 HydrophobicContact CG2-CD2 3.8Å; I542-W1033 HydrophobicContact CG2-CE3 4.31Å; I542-W1033 HydrophobicContact CG2-CG 3.73Å
543	R	74.9	Confident	72.5	Confident	26 Å²	26	33.4 Å²	33.4	10%	0.098	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.4	176.1	-177.2	-177.7	-167.4	-106.1	0.7	108.6	V649 P650 E859	R543-V649 VanDerWaalsContact NH1-CG1 3.28Å; R543-P650 HydrophobicContact CG-CB 3.84Å; R543-E859 HydrophobicContact CB-CB 4.21Å; R543-E859 IonicContact CZ-OE2 3.06Å; R543-E859 PolarHBondContact N-O 3.46Å; R543-E859 IonicContact NH1-OE2 3.59Å; R543-E859 PolarHBondContact NH1-OE2 2.8Å; R543-E859 WeakPolarHBondContact O-CA 3.45Å; R543-E859 WeakPolarHBondContact O-CB 3.35Å; R543-E859 PolarHBondContact O-N 3.2Å
544	A	75.8	Confident	73.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	157.1	179.9	0	0	0	0	0	112.9	P650 V651 V856 S857 L858 W1033	A544-P650 CarbonylContact O-C 3.57Å; A544-P650 WeakPolarHBondContact O-CA 3.37Å; A544-V651 HydrophobicContact CB-CB 3.83Å; A544-V651 HydrophobicContact CB-CG1 4.48Å; A544-V651 PolarHBondContact O-N 3.44Å; A544-V856 HydrophobicContact CB-CG1 3.82Å; A544-S857 CarbonylContact C-O 3.53Å; A544-S857 WeakPolarHBondContact CA-O 2.81Å; A544-L858 HydrophobicContact CB-CD2 3.81Å; A544-W1033 HydrophobicContact CB-CH2 3.45Å; A544-W1033 VanDerWaalsContact CB-CH2 3.45Å; A544-W1033 HydrophobicContact CB-CZ2 3.25Å
545	R	79.3	Confident	75.4	Confident	43 Å²	43	32.8 Å²	32.8	16%	0.162	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.4	167.8	-56.1	-165.7	-179.5	-159.7	17.9	110.4	E647 I648 V649 V856 S857 E859	R545-E647 WeakPolarHBondContact CD-OE1 3.38Å; R545-E647 IonicContact CZ-OE1 3.52Å; R545-E647 IonicContact NE-OE1 3.6Å; R545-E647 IonicContact NH1-OE1 3.37Å; R545-E647 PolarHBondContact NH1-OE1 3.42Å; R545-I648 WeakPolarHBondContact CA-O 3.39Å; R545-V649 HydrophobicContact CB-CG2 4.42Å; R545-V649 HydrophobicContact CG-CG1 4.08Å; R545-V649 HydrophobicContact CG-CG2 4.09Å; R545-V856 CarbonylContact O-C 3.59Å; R545-V856 WeakPolarHBondContact O-CA 3.35Å; R545-S857 PolarHBondContact N-O 3.32Å; R545-S857 PolarHBondContact O-N 3.3Å; R545-S857 PolarHBondContact O-OG 2.86Å; R545-E859 IonicContact CZ-OE1 3.61Å; R545-E859 IonicContact CZ-OE2 2.7Å; R545-E859 IonicContact NE-OE1 2.81Å; R545-E859 PolarHBondContact NE-OE1 2.95Å; R545-E859 IonicContact NE-OE2 3.83Å; R545-E859 PolarHBondContact NE-OE2 3.47Å; R545-E859 IonicContact NH2-OE1 3.45Å; R545-E859 PolarHBondContact NH2-OE1 3.49Å; R545-E859 IonicContact NH2-OE2 3.69Å; R545-E859 PolarHBondContact NH2-OE2 3.36Å; R545-E859 VanDerWaalsContact NH2-OE2 3.13Å
546	M	82.5	Confident	76.8	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.02	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.4	170.1	-173.4	-177.3	-170.8	0	0	109.6	L548 E647 I648 V651 F657 L796 L851 F855 V856	M546-L548 HydrophobicContact CE-CD2 3.96Å; M546-E647 CarbonylContact O-C 3.52Å; M546-E647 WeakPolarHBondContact O-CA 3.3Å; M546-I648 HydrophobicContact CB-CB 4.28Å; M546-I648 PolarHBondContact N-O 3.17Å; M546-I648 PolarHBondContact O-N 3.44Å; M546-I648 HydrophobicContact SD-CD1 4.33Å; M546-V651 HydrophobicContact CB-CG2 3.82Å; M546-F657 HydrophobicContact SD-CD2 3.85Å; M546-F657 HydrophobicContact SD-CE2 3.45Å; M546-F657 WeakPolarHBondContact SD-CE2 3.45Å; M546-F657 HydrophobicContact SD-CZ 4.32Å; M546-L796 HydrophobicContact CE-CD1 3.98Å; M546-L796 HydrophobicContact CE-CD2 4.24Å; M546-L851 HydrophobicContact CE-CD1 3.76Å; M546-F855 WeakPolarHBondContact CA-O 3.35Å; M546-V856 HydrophobicContact CB-CG2 4.12Å; M546-V856 HydrophobicContact CG-CG2 4.12Å
547	K	84	Confident	77.6	Confident	78 Å²	78	38.7 Å²	38.7	34%	0.339	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.7	164	-70.4	-172.3	-179.1	-127.1	0	109.9	L646 E647 A854 F855	K547-L646 WeakPolarHBondContact CA-O 3.38Å; K547-E647 HydrophobicContact CD-CG 4.4Å; K547-E647 WeakPolarHBondContact CE-OE2 3.28Å; K547-E647 HydrophobicContact CG-CB 4.29Å; K547-E647 HydrophobicContact CG-CG 3.87Å; K547-E647 IonicContact NZ-OE2 3.84Å; K547-E647 PolarHBondContact NZ-OE2 3.15Å; K547-A854 VanDerWaalsContact O-CA 3.28Å; K547-A854 WeakPolarHBondContact O-CA 3.23Å; K547-F855 HydrophobicContact CB-CD1 4.33Å; K547-F855 HydrophobicContact CB-CE1 3.88Å; K547-F855 HydrophobicContact CB-CE2 4.27Å; K547-F855 HydrophobicContact CB-CZ 3.88Å; K547-F855 HydrophobicContact CD-CE1 4.42Å; K547-F855 HydrophobicContact CD-CE2 4.22Å; K547-F855 HydrophobicContact CD-CZ 3.73Å; K547-F855 HydrophobicContact CG-CE2 4.46Å; K547-F855 HydrophobicContact CG-CZ 4.21Å; K547-F855 PolarHBondContact N-O 2.93Å; K547-F855 PolarHBondContact O-N 3.17Å
548	L	86.3	Confident	77.8	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	144.9	165.5	69	96	0	0	0	109.9	M546 I607 A644 K645 L646 L851 A854	M546-L548 HydrophobicContact CE-CD2 3.96Å; L548-I607 HydrophobicContact CD2-CD1 4.07Å; L548-A644 HydrophobicContact CD1-CB 3.96Å; L548-K645 CarbonylContact O-C 3.58Å; L548-K645 WeakPolarHBondContact O-CA 3.44Å; L548-L646 HydrophobicContact CD1-CD1 4.32Å; L548-L646 HydrophobicContact CD2-CD1 4.38Å; L548-L646 HydrophobicContact CG-CB 4.27Å; L548-L646 HydrophobicContact CG-CD1 4.45Å; L548-L646 PolarHBondContact N-O 2.89Å; L548-L646 PolarHBondContact O-N 2.8Å; L548-L851 HydrophobicContact CD2-CD1 4.42Å; L548-A854 HydrophobicContact CB-CB 4.06Å
549	S	85.5	Confident	77.8	Confident	32 Å²	32	37.3 Å²	37.3	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-43.9	-178.9	63.3	0	0	0	0	112.7	A644 K645 V852 D853	S549-A644 PolarHBondContact O-N 3.33Å; S549-K645 PolarHBondContact O-N 2.91Å; S549-V852 PolarHBondContact N-O 3.14Å; S549-V852 WeakPolarHBondContact OG-CB 3.49Å; S549-V852 WeakPolarHBondContact OG-CG1 3.28Å; S549-V852 PolarHBondContact OG-O 3.02Å; S549-D853 WeakPolarHBondContact CB-OD2 3.3Å; S549-D853 PolarHBondContact OG-OD2 3.24Å
550	A	88.4	Confident	77.6	Confident	9 Å²	9	39.3 Å²	39.3	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.8	-178.4	0	0	0	0	0	112.7	D641 L642 V852	A550-D641 HydrophobicContact CB-CB 4.15Å; A550-L642 CarbonylContact C-O 3.57Å; A550-L642 VanDerWaalsContact CA-O 3.26Å; A550-L642 WeakPolarHBondContact CA-O 3.36Å; A550-L642 WeakPolarHBondContact CB-O 3.48Å; A550-V852 HydrophobicContact CB-CB 4.12Å; A550-V852 HydrophobicContact CB-CG2 4.08Å; A550-V852 PolarHBondContact O-N 3.41Å
551	I	90.6	Very high	76.5	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.5	168.5	-56.3	155.1	0	0	0	107.3	L553 I607 L642 L659 I661 L851	I551-L553 HydrophobicContact CG2-CD2 3.87Å; I551-I607 HydrophobicContact CD1-CD1 4.07Å; I551-I607 HydrophobicContact CD1-CG1 4.5Å; I551-I607 HydrophobicContact CG1-CD1 4.49Å; I551-L642 HydrophobicContact CB-CB 4.36Å; I551-L642 PolarHBondContact N-O 3.26Å; I551-L642 PolarHBondContact O-N 3.04Å; I551-L659 HydrophobicContact CD1-CD1 3.84Å; I551-L659 HydrophobicContact CG2-CD2 4.28Å; I551-I661 HydrophobicContact CG2-CD1 4.42Å; I551-L851 HydrophobicContact CG1-CD2 4.05Å; I551-L851 HydrophobicContact CG2-CD2 4.4Å
552	R	90.8	Very high	75.9	Confident	47 Å²	47	47 Å²	47	18%	0.177	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.3	178.8	-172.9	165.3	-72.4	173.8	-1.4	110.2	Y639 V640 D641 L832 A849 G850 V852	R552-Y639 HydrophobicContact CG-CD2 3.96Å; R552-Y639 HydrophobicContact CG-CG 4.06Å; R552-V640 CarbonylContact C-O 3.46Å; R552-V640 WeakPolarHBondContact CA-O 3.36Å; R552-D641 WeakPolarHBondContact CA-OD1 3.34Å; R552-D641 WeakPolarHBondContact CB-OD1 3.23Å; R552-D641 WeakPolarHBondContact CG-OD1 3.49Å; R552-D641 IonicContact CZ-OD1 3.39Å; R552-D641 IonicContact CZ-OD2 3.5Å; R552-D641 IonicContact NE-OD1 2.66Å; R552-D641 PolarHBondContact NE-OD1 2.96Å; R552-D641 IonicContact NE-OD2 2.76Å; R552-D641 PolarHBondContact NE-OD2 3.33Å; R552-D641 IonicContact NH2-OD1 3.45Å; R552-D641 IonicContact NH2-OD2 2.72Å; R552-D641 PolarHBondContact NH2-OD2 3.05Å; R552-L832 HydrophobicContact CB-CD2 3.86Å; R552-L832 HydrophobicContact CG-CD1 4.37Å; R552-L832 HydrophobicContact CG-CD2 3.7Å; R552-A849 CarbonylContact O-C 3.5Å; R552-A849 WeakPolarHBondContact O-CA 3.49Å; R552-G850 PolarHBondContact N-O 3.23Å; R552-G850 PolarHBondContact O-N 2.95Å; R552-V852 HydrophobicContact CB-CG2 3.88Å
553	L	90.6	Very high	74.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134	178.2	-49.5	177.2	0	0	0	109.9	I551 L603 Y639 V640 L642 I661 L836 L845 A849	I551-L553 HydrophobicContact CG2-CD2 3.87Å; L553-L603 HydrophobicContact CD1-CD1 4.44Å; L553-Y639 CarbonylContact O-C 3.53Å; L553-Y639 WeakPolarHBondContact O-CA 3.32Å; L553-Y639 VanDerWaalsContact O-CB 3.32Å; L553-Y639 WeakPolarHBondContact O-CB 3.33Å; L553-V640 HydrophobicContact CB-CG1 3.95Å; L553-V640 HydrophobicContact CD1-CG1 4.46Å; L553-V640 PolarHBondContact N-O 3.43Å; L553-V640 PolarHBondContact O-N 2.67Å; L553-L642 HydrophobicContact CD1-CD1 3.73Å; L553-L642 HydrophobicContact CD1-CG 4.17Å; L553-L642 HydrophobicContact CG-CD1 4.44Å; L553-I661 HydrophobicContact CD1-CD1 4.43Å; L553-I661 HydrophobicContact CD1-CG2 3.98Å; L553-I661 HydrophobicContact CD2-CD1 4Å; L553-I661 HydrophobicContact CD2-CG1 4.32Å; L553-L836 HydrophobicContact CD2-CD1 4.26Å; L553-L845 HydrophobicContact CB-CD2 3.91Å; L553-L845 HydrophobicContact CD1-CD1 4.05Å; L553-L845 HydrophobicContact CD1-CD2 3.94Å; L553-A849 HydrophobicContact CD2-CB 3.67Å
554	S	88.8	Confident	73.4	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.6	173.5	51.1	0	0	0	0	112.2	L845 A846 G847 T848	S554-L845 CarbonylContact O-C 3.59Å; S554-L845 VanDerWaalsContact O-CA 3.3Å; S554-L845 WeakPolarHBondContact O-CA 3.38Å; S554-A846 PolarHBondContact O-N 2.67Å; S554-G847 PolarHBondContact OG-N 3.1Å; S554-T848 WeakPolarHBondContact CB-OG1 3.44Å; S554-T848 PolarHBondContact N-O 3.01Å; S554-T848 PolarHBondContact OG-N 3.38Å; S554-T848 PolarHBondContact OG-O 2.85Å; S554-T848 PolarHBondContact OG-OG1 3.32Å
555	L	89	Confident	71.9	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.6	178.5	-63.8	176	0	0	0	110.9	T557 L623 A637 P638 V640 P844 L845	L555-T557 PolarHBondContact O-N 2.79Å; L555-L623 HydrophobicContact CD2-CD1 3.55Å; L555-A637 HydrophobicContact CD1-CB 4.06Å; L555-A637 WeakPolarHBondContact CD1-O 3.44Å; L555-P638 PolarHBondContact N-O 3.1Å; L555-V640 HydrophobicContact CD1-CB 4.15Å; L555-V640 HydrophobicContact CD1-CG1 4.47Å; L555-V640 HydrophobicContact CD2-CB 4.41Å; L555-V640 HydrophobicContact CD2-CG1 3.86Å; L555-V640 HydrophobicContact CG-CB 4.44Å; L555-V640 HydrophobicContact CG-CG1 4.26Å; L555-P844 HydrophobicContact CD2-CB 4.38Å; L555-L845 HydrophobicContact CD2-CD2 4.07Å
556	K	84.7	Confident	70.5	Confident	67 Å²	67	59.7 Å²	59.7	29%	0.291	34%	0.342	S	S	.	.			trans	-68.9	121.4	172.9	-74.4	170	177.9	150	0	110	Y570 R841 T843 P844 L845 A846	K556-Y570 HydrophobicContact CB-CE2 4.25Å; K556-R841 PolarHBondContact NZ-O 2.93Å; K556-T843 PolarHBondContact NZ-O 3.22Å; K556-P844 PolarHBondContact N-O 3.12Å; K556-L845 WeakPolarHBondContact CE-O 3.16Å; K556-L845 PolarHBondContact NZ-O 2.91Å; K556-A846 HydrophobicContact CG-CB 4.18Å
557	T	74.9	Confident	69	Low	89 Å²	89	61 Å²	61	55%	0.546	36%	0.356	S	S	.	.			trans	-99.4	136.1	163.4	53.1	0	0	0	0	108.7	L555	L555-T557 PolarHBondContact O-N 2.79Å
558	S	60.6	Low	68.1	Low	73 Å²	73	57.8 Å²	57.8	51%	0.51	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	69.3	-179.8	65.6	0	0	0	0	110.1	G568	S558-G568 CarbonylContact C-O 3.58Å; S558-G568 PolarHBondContact N-O 3.34Å; S558-G568 WeakPolarHBondContact O-CA 3.36Å; S558-G568 PolarHBondContact O-N 2.89Å; S558-G568 WeakPolarHBondContact OG-CA 3.2Å
559	N	54.7	Low	67.8	Low	108 Å²	108	57.5 Å²	57.5	58%	0.578	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	135	173.4	-64.1	-10.5	0	0	0	109.6
560	I	51.7	Low	67.8	Low	100 Å²	100	57 Å²	57	51%	0.513	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-78	127.9	164.9	-64	179.3	0	0	0	107.6	N562 D563	I560-N562 PolarHBondContact O-N 2.84Å; I560-D563 PolarHBondContact O-N 3.02Å
561	P	39.8	Very low	67.7	Low	108 Å²	108	57 Å²	57	70%	0.701	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	137.4	175.4	-25.2	34.8	0	0	0	111.6	D563	P561-D563 VanDerWaalsContact C-N 3.33Å; P561-D563 PolarHBondContact O-N 3.49Å
562	N	48.9	Very low	67.4	Low	172 Å²	172	59.8 Å²	59.8	92%	0.92	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	7.1	179.5	-48.7	-28.5	0	0	0	117.2	I560	I560-N562 PolarHBondContact O-N 2.84Å
563	D	46.7	Very low	66.8	Low	54 Å²	54	59.5 Å²	59.5	29%	0.289	36%	0.356	S	S	.	.			trans	-119.3	106.8	169.1	179.2	10.5	0	0	0	111.9	I560 P561 T565 S566	I560-D563 PolarHBondContact O-N 3.02Å; P561-D563 VanDerWaalsContact C-N 3.33Å; P561-D563 PolarHBondContact O-N 3.49Å; D563-T565 PolarHBondContact O-N 3.38Å; D563-T565 WeakPolarHBondContact OD1-CA 3.46Å; D563-T565 WeakPolarHBondContact OD1-CB 3.21Å; D563-T565 PolarHBondContact OD1-N 2.82Å; D563-T565 PolarHBondContact OD1-OG1 3.04Å; D563-T565 PolarHBondContact OD2-OG1 3.09Å; D563-S566 PolarHBondContact O-N 2.81Å; D563-S566 PolarHBondContact OD1-N 2.86Å; D563-S566 VanDerWaalsContact OD2-CB 3.23Å; D563-S566 WeakPolarHBondContact OD2-CB 3.29Å; D563-S566 PolarHBondContact OD2-N 2.82Å; D563-S566 PolarHBondContact OD2-OG 2.85Å
564	P	47.9	Very low	66	Low	128 Å²	128	59.9 Å²	59.9	83%	0.831	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.7	177.4	31.6	-35.5	0	0	0	113.7
565	T	45.2	Very low	65.2	Low	124 Å²	124	62.1 Å²	62.1	76%	0.761	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-21	176.6	72.2	0	0	0	0	113.1	D563 G567	D563-T565 PolarHBondContact O-N 3.38Å; D563-T565 WeakPolarHBondContact OD1-CA 3.46Å; D563-T565 WeakPolarHBondContact OD1-CB 3.21Å; D563-T565 PolarHBondContact OD1-N 2.82Å; D563-T565 PolarHBondContact OD1-OG1 3.04Å; D563-T565 PolarHBondContact OD2-OG1 3.09Å; T565-G567 PolarHBondContact O-N 3.22Å
566	S	49.6	Very low	64.1	Low	35 Å²	35	62.6 Å²	62.6	25%	0.245	38%	0.379	C	S	.	.			trans	-75.5	43.8	172.4	-77.4	0	0	0	0	113.4	D563 G568	D563-S566 PolarHBondContact O-N 2.81Å; D563-S566 PolarHBondContact OD1-N 2.86Å; D563-S566 VanDerWaalsContact OD2-CB 3.23Å; D563-S566 WeakPolarHBondContact OD2-CB 3.29Å; D563-S566 PolarHBondContact OD2-N 2.82Å; D563-S566 PolarHBondContact OD2-OG 2.85Å; S566-G568 VanDerWaalsContact C-N 3.33Å; S566-G568 PolarHBondContact O-N 2.76Å
567	G	51.1	Low	62.9	Low	31 Å²	31	67 Å²	67	32%	0.32	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	69.8	-175.4	0	0	0	0	0	114.2	T565 V626	T565-G567 PolarHBondContact O-N 3.22Å; G567-V626 WeakPolarHBondContact O-CB 3.43Å; G567-V626 WeakPolarHBondContact O-CG1 3.42Å
568	G	65	Low	62.1	Low	10 Å²	10	69.1 Å²	69.1	10%	0.103	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131	176.5	0	0	0	0	0	113.3	S558 S566	S558-G568 CarbonylContact C-O 3.58Å; S558-G568 PolarHBondContact N-O 3.34Å; S558-G568 WeakPolarHBondContact O-CA 3.36Å; S558-G568 PolarHBondContact O-N 2.89Å; S558-G568 WeakPolarHBondContact OG-CA 3.2Å; S566-G568 VanDerWaalsContact C-N 3.33Å; S566-G568 PolarHBondContact O-N 2.76Å
569	G	79.9	Confident	61.8	Low	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.374	C	S	.	.			trans	158.4	-173.2	-177.2	0	0	0	0	0	112.9	H625 V626	G569-H625 PolarHBondContact N-NE2 3.41Å; G569-H625 WeakPolarHBondContact O-CA 3.09Å; G569-H625 PolarHBondContact O-CD2 2.54Å; G569-H625 PolarHBondContact O-NE2 3.39Å; G569-V626 WeakPolarHBondContact O-CG2 3.5Å; G569-V626 PolarHBondContact O-N 2.96Å
570	Y	85.7	Confident	61.6	Low	22 Å²	22	61 Å²	61	9%	0.086	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.6	-171.5	-63.4	-87.5	0	0	0	112.8	K556 Y601 M624 H625 A636 A637 P844	K556-Y570 HydrophobicContact CB-CE2 4.25Å; Y570-Y601 HydrophobicContact CE1-CD2 4.14Å; Y570-Y601 AromaticContact CE1-CE2 3.79Å; Y570-Y601 HydrophobicContact CE1-CE2 3.79Å; Y570-M624 WeakPolarHBondContact CA-O 3.33Å; Y570-H625 HydrophobicContact CD1-CB 4.31Å; Y570-H625 HydrophobicContact CE1-CB 4.1Å; Y570-H625 AromaticContact CE1-CD2 3.96Å; Y570-H625 AromaticContact CZ-CD2 3.92Å; Y570-A636 WeakPolarHBondContact O-CA 3.2Å; Y570-A637 PolarHBondContact O-N 3.43Å; Y570-P844 HydrophobicContact CD1-CB 3.77Å; Y570-P844 HydrophobicContact CD2-CB 3.85Å; Y570-P844 HydrophobicContact CE1-CB 3.72Å; Y570-P844 HydrophobicContact CE2-CB 3.83Å; Y570-P844 HydrophobicContact CG-CB 3.83Å
571	V	85.4	Confident	61.5	Low	10 Å²	10	57.3 Å²	57.3	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.1	-178.6	-179.7	0	0	0	0	108.6	V573 L623 M624 V626 L629 Y634	V571-V573 HydrophobicContact CB-CG2 4.38Å; V571-V573 HydrophobicContact CG1-CG2 4.14Å; V571-L623 VanDerWaalsContact O-CA 3.26Å; V571-L623 WeakPolarHBondContact O-CA 3.3Å; V571-M624 PolarHBondContact N-O 2.73Å; V571-M624 PolarHBondContact O-N 3.42Å; V571-V626 HydrophobicContact CG2-CG2 3.63Å; V571-L629 HydrophobicContact CB-CD1 3.89Å; V571-L629 HydrophobicContact CG1-CD1 4.07Å; V571-L629 HydrophobicContact CG2-CD1 4.01Å; V571-Y634 HydrophobicContact CG1-CD1 3.85Å; V571-Y634 HydrophobicContact CG1-CG 4.28Å
572	V	85.4	Confident	62	Low	59 Å²	59	54.9 Å²	54.9	36%	0.358	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124	169.7	-179.2	0	0	0	0	108.7	T575 V621 L623 V640	V572-T575 HydrophobicContact CG1-CG2 4.04Å; V572-V621 HydrophobicContact CG1-CG1 3.74Å; V572-V621 HydrophobicContact CG2-CG1 4.47Å; V572-L623 HydrophobicContact CB-CD2 4.32Å; V572-L623 HydrophobicContact CG2-CD2 3.64Å; V572-V640 HydrophobicContact CG2-CB 4.33Å; V572-V640 HydrophobicContact CG2-CG2 3.86Å
573	V	77.4	Confident	61.9	Low	41 Å²	41	52.2 Å²	52.2	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-16.6	-172	178.8	0	0	0	0	113.2	V571 V584 T622 M624 L629	V571-V573 HydrophobicContact CB-CG2 4.38Å; V571-V573 HydrophobicContact CG1-CG2 4.14Å; V573-V584 HydrophobicContact CG1-CG1 4.43Å; V573-V584 HydrophobicContact CG1-CG2 3.31Å; V573-T622 PolarHBondContact N-O 3.21Å; V573-M624 HydrophobicContact CB-CG 4.2Å; V573-M624 HydrophobicContact CB-SD 4.1Å; V573-M624 HydrophobicContact CG1-CG 4.5Å; V573-M624 HydrophobicContact CG1-SD 3.76Å; V573-M624 HydrophobicContact CG2-CB 3.9Å; V573-M624 HydrophobicContact CG2-CG 3.83Å; V573-M624 HydrophobicContact CG2-SD 3.88Å; V573-L629 HydrophobicContact CG2-CD1 4.22Å
574	G	73	Confident	62	Low	8 Å²	8	50.3 Å²	50.3	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	148.2	171.2	0	0	0	0	0	112.5	T622	G574-T622 PolarHBondContact O-N 3.06Å
575	T	73.3	Confident	61.5	Low	60 Å²	60	49.1 Å²	49.1	37%	0.368	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.8	-178.4	56.9	0	0	0	0	111	V572 R577 E578 L620 V621	V572-T575 HydrophobicContact CG1-CG2 4.04Å; T575-R577 PolarHBondContact O-N 3.33Å; T575-E578 PolarHBondContact O-N 3.31Å; T575-L620 CarbonylContact C-O 3.52Å; T575-L620 WeakPolarHBondContact CA-O 3.22Å; T575-V621 HydrophobicContact CG2-CG1 4.16Å; T575-V621 HydrophobicContact CG2-CG2 4.17Å
576	G	65.2	Low	61.3	Low	15 Å²	15	44.7 Å²	44.7	16%	0.155	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	54.7	-124	175.4	0	0	0	0	0	112	E578 A579 L620	G576-E578 VanDerWaalsContact C-N 3.25Å; G576-E578 PolarHBondContact O-N 3.38Å; G576-A579 WeakPolarHBondContact O-CB 3.42Å; G576-A579 PolarHBondContact O-N 3.26Å; G576-L620 PolarHBondContact N-O 3.5Å
577	R	59.4	Low	61.3	Low	161 Å²	161	45 Å²	45	61%	0.608	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-69.7	-15.3	179.9	-71	-173	177.1	-126.2	-2.2	114.4	V277 R500 T575	V277-R577 PolarHBondContact O-NH2 2.8Å; R500-R577 PolarHBondContact NE-O 3.25Å; R500-R577 PolarHBondContact NH2-O 2.99Å; T575-R577 PolarHBondContact O-N 3.33Å
578	E	57.6	Low	60.8	Low	132 Å²	132	50.9 Å²	50.9	62%	0.617	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-89.1	-18.4	-180	-61.8	-178.6	175	0	0	112.4	T575 G576 G580 G581	T575-E578 PolarHBondContact O-N 3.31Å; G576-E578 VanDerWaalsContact C-N 3.25Å; G576-E578 PolarHBondContact O-N 3.38Å; E578-G580 PolarHBondContact O-N 3.21Å; E578-G581 PolarHBondContact O-N 2.87Å; E578-G581 VanDerWaalsContact O-N 3.13Å
579	A	55.9	Low	59.4	Low	1 Å²	1	54.5 Å²	54.5	1%	0.008	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.7	172.7	0	0	0	0	0	111.2	G576 G581 L620 T622	G576-A579 WeakPolarHBondContact O-CB 3.42Å; G576-A579 PolarHBondContact O-N 3.26Å; A579-G581 VanDerWaalsContact C-N 3.28Å; A579-G581 PolarHBondContact O-N 2.83Å; A579-L620 HydrophobicContact CB-CB 3.99Å; A579-L620 HydrophobicContact CB-CD2 3.78Å; A579-L620 HydrophobicContact CB-CG 3.87Å; A579-T622 WeakPolarHBondContact CA-OG1 3.38Å; A579-T622 VanDerWaalsContact CB-OG1 3.32Å; A579-T622 WeakPolarHBondContact CB-OG1 3.39Å
580	G	49.9	Very low	57.6	Low	11 Å²	11	62 Å²	62	11%	0.113	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-4.6	-175.6	0	0	0	0	0	115.9	R500 E578 T622	R500-G580 WeakPolarHBondContact CA-O 3.33Å; R500-G580 WeakPolarHBondContact CB-O 3.49Å; R500-G580 PolarHBondContact N-O 2.89Å; E578-G580 PolarHBondContact O-N 3.21Å; G580-T622 PolarHBondContact N-OG1 3.39Å
581	G	49.9	Very low	55	Low	22 Å²	22	66.3 Å²	66.3	23%	0.227	35%	0.354	C	S	.	.			trans	-87.3	139.3	173.7	0	0	0	0	0	113.4	E578 A579 N583	E578-G581 PolarHBondContact O-N 2.87Å; E578-G581 VanDerWaalsContact O-N 3.13Å; A579-G581 VanDerWaalsContact C-N 3.28Å; A579-G581 PolarHBondContact O-N 2.83Å; G581-N583 PolarHBondContact O-N 3.27Å
582	W	49.7	Very low	52.5	Low	57 Å²	57	73 Å²	73	22%	0.216	39%	0.389	C	S	.	.			trans	-74.7	34.6	171.4	-69.3	93.8	0	0	0	113.2	V584 L587 Q597 P598	W582-V584 VanDerWaalsContact C-N 3.31Å; W582-V584 PolarHBondContact O-N 2.82Å; W582-L587 HydrophobicContact CE3-CD1 4.11Å; W582-L587 HydrophobicContact CZ3-CD1 4.04Å; W582-Q597 HydrophobicContact CH2-CB 3.85Å; W582-Q597 HydrophobicContact CH2-CG 3.82Å; W582-Q597 HydrophobicContact CZ2-CB 4.34Å; W582-Q597 HydrophobicContact CZ2-CG 4.03Å; W582-P598 HydrophobicContact CH2-CG 4.23Å; W582-P598 HydrophobicContact CZ3-CG 4Å
583	N	46.6	Very low	50.1	Low	115 Å²	115	78.6 Å²	78.6	62%	0.615	42%	0.417	S	S	*	.			trans	-89.6	12.1	-172.7	-76.6	-10.1	0	0	0	114.1	G581 P585	G581-N583 PolarHBondContact O-N 3.27Å; N583-P585 VanDerWaalsContact O-CD 3.26Å; N583-P585 WeakPolarHBondContact O-CD 3.44Å
584	V	48.1	Very low	48.2	Very low	14 Å²	14	85 Å²	85	9%	0.085	45%	0.445	C	S	.	.			trans	-67.3	115	165.4	-158.3	0	0	0	0	107.9	V573 W582 T586 L587	V573-V584 HydrophobicContact CG1-CG1 4.43Å; V573-V584 HydrophobicContact CG1-CG2 3.31Å; W582-V584 VanDerWaalsContact C-N 3.31Å; W582-V584 PolarHBondContact O-N 2.82Å; V584-T586 PolarHBondContact O-N 3.27Å; V584-L587 HydrophobicContact CB-CD1 4.2Å; V584-L587 HydrophobicContact CG2-CD1 4.21Å; V584-L587 PolarHBondContact O-N 3.19Å
585	P	38.6	Very low	46.7	Very low	104 Å²	104	88.9 Å²	88.9	68%	0.675	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-59.6	-28.8	-170.5	-27.3	36.5	0	0	0	113.9	N583	N583-P585 VanDerWaalsContact O-CD 3.26Å; N583-P585 WeakPolarHBondContact O-CD 3.44Å
586	T	41.6	Very low	45.7	Very low	31 Å²	31	88 Å²	88	19%	0.19	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-81.5	-8.4	-173.6	50.1	0	0	0	0	115.4	V584 S589 P630 M633	V584-T586 PolarHBondContact O-N 3.27Å; T586-S589 PolarHBondContact O-OG 3.14Å; T586-P630 HydrophobicContact CG2-CG 4.22Å; T586-M633 HydrophobicContact CG2-CE 3.83Å; T586-M633 HydrophobicContact CG2-SD 3.83Å
587	L	47.6	Very low	45.6	Very low	41 Å²	41	91.7 Å²	91.7	22%	0.215	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-89.3	-15.2	173.4	-77.2	167	0	0	0	113.1	W582 V584 S589 P598 M624	W582-L587 HydrophobicContact CE3-CD1 4.11Å; W582-L587 HydrophobicContact CZ3-CD1 4.04Å; V584-L587 HydrophobicContact CB-CD1 4.2Å; V584-L587 HydrophobicContact CG2-CD1 4.21Å; V584-L587 PolarHBondContact O-N 3.19Å; L587-S589 VanDerWaalsContact C-N 3.31Å; L587-P598 HydrophobicContact CD1-CG 4.18Å; L587-P598 HydrophobicContact CD2-CG 4.2Å; L587-M624 HydrophobicContact CD1-CE 4.33Å
588	K	41.6	Very low	46.1	Very low	154 Å²	154	85 Å²	85	67%	0.67	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.1	173	-64	-172.5	179.4	-176.1	0	112.9
589	S	35.6	Very low	47.1	Very low	86 Å²	86	79.2 Å²	79.2	60%	0.601	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	33.3	-172.4	64	0	0	0	0	114	T586 L587 P591	T586-S589 PolarHBondContact O-OG 3.14Å; L587-S589 VanDerWaalsContact C-N 3.31Å; S589-P591 VanDerWaalsContact C-CD 3.47Å; S589-P591 VanDerWaalsContact O-CD 3.24Å; S589-P591 WeakPolarHBondContact O-CD 3.2Å
590	R	41.1	Very low	48.6	Very low	158 Å²	158	80 Å²	80	60%	0.596	44%	0.436	S	S	*	.			trans	-113.3	80.7	178.5	-162.9	179.9	-159.1	154.3	11.3	111.8	D592	R590-D592 PolarHBondContact O-N 3.46Å
591	P	31.7	Very low	50.5	Low	113 Å²	113	80.4 Å²	80.4	73%	0.734	43%	0.434	S	S	*	.			trans	-69.1	107.6	165	30	-31.4	0	0	0	108.8	S589	S589-P591 VanDerWaalsContact C-CD 3.47Å; S589-P591 VanDerWaalsContact O-CD 3.24Å; S589-P591 WeakPolarHBondContact O-CD 3.2Å
592	D	33.3	Very low	52.5	Low	149 Å²	149	79.5 Å²	79.5	80%	0.797	42%	0.424	S	S	*	.			trans	176.7	143.8	141.3	-95.3	-26.8	0	0	0	112.2	R590 Q594	R590-D592 PolarHBondContact O-N 3.46Å; D592-Q594 PolarHBondContact O-N 3.07Å
593	N	35.5	Very low	54.6	Low	177 Å²	177	76.8 Å²	76.8	95%	0.947	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	25.8	-168.6	-86.2	-32.3	0	0	0	116.2
594	Q	37	Very low	56.9	Low	177 Å²	177	71.3 Å²	71.3	83%	0.827	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-9.2	-164.7	-66.3	-159	31.6	0	0	118.7	D592	D592-Q594 PolarHBondContact O-N 3.07Å
595	L	41.2	Very low	59.2	Low	88 Å²	88	70.6 Å²	70.6	46%	0.461	38%	0.38	S	S	.	.			trans	-123.1	117.7	-176.4	-120.2	68.4	0	0	0	113.7
596	G	52.8	Low	61.9	Low	43 Å²	43	65.7 Å²	65.7	44%	0.443	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-64.8	163.2	179.2	0	0	0	0	0	114.3
597	Q	62.2	Low	64.3	Low	92 Å²	92	64.5 Å²	64.5	43%	0.43	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-52.1	128.7	-177	-71.5	180	-6.2	0	0	111.8	W582 T668	W582-Q597 HydrophobicContact CH2-CB 3.85Å; W582-Q597 HydrophobicContact CH2-CG 3.82Å; W582-Q597 HydrophobicContact CZ2-CB 4.34Å; W582-Q597 HydrophobicContact CZ2-CG 4.03Å; Q597-T668 HydrophobicContact CB-CG2 4.17Å; Q597-T668 PolarHBondContact N-OG1 3.29Å; Q597-T668 PolarHBondContact O-N 3.02Å; Q597-T668 PolarHBondContact O-OG1 3.44Å
598	P	70.3	Confident	66.4	Low	20 Å²	20	62.7 Å²	62.7	13%	0.13	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.3	156	178.2	27.7	-37.2	0	0	0	112.1	W582 L587 C600 M624 D628 G667	W582-P598 HydrophobicContact CH2-CG 4.23Å; W582-P598 HydrophobicContact CZ3-CG 4Å; L587-P598 HydrophobicContact CD1-CG 4.18Å; L587-P598 HydrophobicContact CD2-CG 4.2Å; P598-C600 PolarHBondContact O-N 2.83Å; P598-M624 HydrophobicContact CB-CE 3.52Å; P598-M624 HydrophobicContact CG-CE 3.53Å; P598-D628 HydrophobicContact CB-CB 3.69Å; P598-G667 WeakPolarHBondContact O-CA 3.29Å
599	T	79.1	Confident	68.7	Low	11 Å²	11	55.3 Å²	55.3	7%	0.067	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-81.8	121.2	-178.3	-70.5	0	0	0	0	111.7	Y601 D628 R665 T666 T668	T599-Y601 HydrophobicContact CG2-CD2 3.98Å; T599-Y601 HydrophobicContact CG2-CE1 4.28Å; T599-Y601 HydrophobicContact CG2-CE2 3.4Å; T599-D628 PolarHBondContact N-OD2 3.24Å; T599-R665 HydrophobicContact CG2-CG 3.76Å; T599-R665 PolarHBondContact OG1-NH2 3.43Å; T599-T666 WeakPolarHBondContact CA-O 3.37Å; T599-T668 PolarHBondContact OG1-O 3Å
600	C	86.7	Confident	71	Confident	16 Å²	16	53.9 Å²	53.9	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.2	171.7	-71	0	0	0	0	110.8	P598 T622 L623 R665 T666	P598-C600 PolarHBondContact O-N 2.83Å; C600-T622 HydrophobicContact CB-CG2 3.95Å; C600-L623 WeakPolarHBondContact CA-O 3.46Å; C600-R665 WeakPolarHBondContact O-CA 3.4Å; C600-T666 WeakPolarHBondContact CB-OG1 3.49Å; C600-T666 PolarHBondContact N-O 3.17Å; C600-T666 PolarHBondContact O-N 3.33Å
601	Y	90.2	Very high	72.9	Confident	21 Å²	21	46.5 Å²	46.5	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.5	174.4	-61.3	-92.5	0	0	0	109.3	Y570 T599 T622 L623 R665 P844	Y570-Y601 HydrophobicContact CE1-CD2 4.14Å; Y570-Y601 AromaticContact CE1-CE2 3.79Å; Y570-Y601 HydrophobicContact CE1-CE2 3.79Å; T599-Y601 HydrophobicContact CG2-CD2 3.98Å; T599-Y601 HydrophobicContact CG2-CE1 4.28Å; T599-Y601 HydrophobicContact CG2-CE2 3.4Å; Y601-T622 WeakPolarHBondContact O-CA 3.4Å; Y601-L623 PolarHBondContact N-O 3.35Å; Y601-L623 PolarHBondContact O-N 3.25Å; Y601-R665 HydrophobicContact CD1-CG 4.4Å; Y601-R665 HydrophobicContact CE1-CG 4.23Å; Y601-P844 HydrophobicContact CD1-CG 4.37Å; Y601-P844 HydrophobicContact CG-CG 4.24Å
602	H	92.1	Very high	75.2	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.8	178.5	-44.9	-73.8	0	0	0	109.8	L620 V621 T622 C663 M664 T666 F782	H602-L620 HydrophobicContact CB-CD1 3.99Å; H602-L620 HydrophobicContact CB-CD2 4.29Å; H602-L620 HydrophobicContact CB-CG 4.29Å; H602-V621 CarbonylContact C-O 3.6Å; H602-V621 WeakPolarHBondContact CA-O 3.3Å; H602-T622 WeakPolarHBondContact ND1-CG2 3.49Å; H602-T622 PolarHBondContact ND1-OG1 2.95Å; H602-C663 CarbonylContact O-C 3.58Å; H602-C663 VanDerWaalsContact O-CA 3.3Å; H602-C663 WeakPolarHBondContact O-CA 3.47Å; H602-M664 PolarHBondContact N-O 3.03Å; H602-M664 PolarHBondContact O-N 3.5Å; H602-T666 WeakPolarHBondContact NE2-CG2 3.17Å; H602-T666 PolarHBondContact NE2-OG1 2.84Å; H602-F782 HydrophobicContact CB-CE1 4.33Å; H602-F782 HydrophobicContact CB-CZ 4.33Å; H602-F782 WeakPolarHBondContact O-CE1 3.45Å
603	L	94.5	Very high	77.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138	-177.5	-65.1	177.6	0	0	0	112	L553 L620 V621 L623 V640 L642 Y662 C663 L785 L845	L553-L603 HydrophobicContact CD1-CD1 4.44Å; L603-L620 WeakPolarHBondContact O-CD1 3.4Å; L603-V621 PolarHBondContact N-O 3.05Å; L603-V621 PolarHBondContact O-N 2.79Å; L603-L623 HydrophobicContact CD1-CD1 3.55Å; L603-L623 HydrophobicContact CD1-CG 4.17Å; L603-L623 HydrophobicContact CG-CD1 4.44Å; L603-V640 HydrophobicContact CD1-CG1 4.13Å; L603-L642 HydrophobicContact CB-CD1 4.5Å; L603-L642 HydrophobicContact CB-CD2 3.98Å; L603-Y662 WeakPolarHBondContact CA-O 3.33Å; L603-C663 HydrophobicContact CD2-CB 3.69Å; L603-L785 HydrophobicContact CD2-CD1 4.08Å; L603-L845 HydrophobicContact CD1-CD2 3.92Å
604	I	95.1	Very high	80.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.5	171.2	-171.2	171.5	0	0	0	110.2	R507 L510 I511 H617 L620 Y662 F782	R507-I604 HydrophobicContact CG-CD1 4.15Å; L510-I604 HydrophobicContact CD2-CG2 3.91Å; I511-I604 HydrophobicContact CD1-CD1 4.26Å; I604-H617 HydrophobicContact CD1-CB 4.26Å; I604-H617 HydrophobicContact CG1-CB 4.5Å; I604-L620 HydrophobicContact CB-CD1 4.01Å; I604-L620 HydrophobicContact CG2-CD1 4.49Å; I604-Y662 PolarHBondContact N-O 2.95Å; I604-Y662 PolarHBondContact O-N 3.43Å; I604-F782 HydrophobicContact CG2-CD1 4.05Å; I604-F782 HydrophobicContact CG2-CE1 3.9Å
605	G	94.9	Very high	82.8	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137	171	0	0	0	0	0	110.7	H617 S618	G605-H617 CarbonylContact O-C 3.22Å; G605-H617 WeakPolarHBondContact O-CA 3.45Å; G605-H617 WeakPolarHBondContact O-CB 3.22Å; G605-S618 PolarHBondContact N-OG 3.23Å; G605-S618 PolarHBondContact O-N 3.29Å
606	V	95.2	Very high	85.3	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.1	176.5	176.5	0	0	0	0	108.5	K608 L615 H617 L659 E660 Y662	V606-K608 HydrophobicContact CG1-CG 4.3Å; V606-L615 HydrophobicContact CG1-CD1 3.73Å; V606-L615 HydrophobicContact CG1-CD2 4.16Å; V606-L615 HydrophobicContact CG1-CG 3.9Å; V606-H617 HydrophobicContact CG2-CB 4.31Å; V606-L659 CarbonylContact O-C 3.52Å; V606-L659 WeakPolarHBondContact O-CA 3.42Å; V606-E660 HydrophobicContact CB-CB 4.41Å; V606-E660 PolarHBondContact N-O 3.28Å; V606-E660 PolarHBondContact O-N 2.86Å; V606-Y662 HydrophobicContact CB-CD2 4.39Å; V606-Y662 HydrophobicContact CB-CE2 4.18Å; V606-Y662 HydrophobicContact CG2-CD2 3.88Å; V606-Y662 HydrophobicContact CG2-CE2 3.97Å
607	I	93	Very high	87.3	Confident	6 Å²	6	17.1 Å²	17.1	3%	0.031	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108.5	179.4	-66.1	172.8	0	0	0	108.4	L548 I551 Y616 L646 F657 Q658 L659	L548-I607 HydrophobicContact CD2-CD1 4.07Å; I551-I607 HydrophobicContact CD1-CD1 4.07Å; I551-I607 HydrophobicContact CD1-CG1 4.5Å; I551-I607 HydrophobicContact CG1-CD1 4.49Å; I607-Y616 PolarHBondContact N-O 3.28Å; I607-Y616 PolarHBondContact O-N 2.94Å; I607-L646 HydrophobicContact CD1-CD1 3.9Å; I607-F657 HydrophobicContact CG2-CB 4.13Å; I607-F657 HydrophobicContact CG2-CG 4.48Å; I607-Q658 WeakPolarHBondContact CA-O 3.48Å; I607-L659 HydrophobicContact CD1-CD1 4.39Å; I607-L659 HydrophobicContact CG1-CD1 3.77Å
608	K	91.7	Very high	88.8	Confident	3 Å²	3	12.8 Å²	12.8	1%	0.013	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.6	176.9	-61.3	171.2	172.4	173.6	0	109.9	V518 V606 L615 F657 Q658 E660	V518-K608 HydrophobicContact CG1-CB 4Å; V518-K608 HydrophobicContact CG1-CD 3.94Å; V518-K608 HydrophobicContact CG1-CG 3.82Å; V606-K608 HydrophobicContact CG1-CG 4.3Å; K608-L615 HydrophobicContact CG-CD1 4.19Å; K608-F657 CarbonylContact O-C 3.55Å; K608-F657 VanDerWaalsContact O-CA 3.3Å; K608-F657 WeakPolarHBondContact O-CA 3.28Å; K608-Q658 HydrophobicContact CB-CB 4.3Å; K608-Q658 PolarHBondContact N-O 3.32Å; K608-Q658 PolarHBondContact O-N 3.24Å; K608-E660 WeakPolarHBondContact CE-OE2 3.2Å; K608-E660 IonicContact NZ-OE1 3.46Å; K608-E660 PolarHBondContact NZ-OE1 2.98Å; K608-E660 IonicContact NZ-OE2 2.72Å; K608-E660 PolarHBondContact NZ-OE2 2.65Å
609	C	88.7	Confident	89.9	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.3	167.4	-51.6	0	0	0	0	108.5	G611 E612 R614 F657	C609-G611 PolarHBondContact O-N 3.29Å; C609-E612 HydrophobicContact CB-CB 3.9Å; C609-E612 HydrophobicContact CB-CG 4.34Å; C609-E612 PolarHBondContact O-N 3.25Å; C609-R614 HydrophobicContact CB-CB 3.93Å; C609-R614 PolarHBondContact N-O 3.06Å; C609-F657 HydrophobicContact CB-CD1 4.2Å; C609-F657 HydrophobicContact CB-CE1 4.23Å; C609-F657 VanDerWaalsContact SG-CE1 3.55Å
610	R	85	Confident	90.5	Very high	56 Å²	56	13.5 Å²	13.5	21%	0.211	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	133	-171.8	-79	-76	-168.7	69.3	3.8	112.3	E521 E612 R652 V656 Q658 E789	E521-R610 WeakPolarHBondContact OE1-CD 3.23Å; R610-E612 PolarHBondContact O-N 3.44Å; R610-E612 VanDerWaalsContact O-N 3.09Å; R610-R652 PolarHBondContact O-NH1 2.8Å; R610-V656 HydrophobicContact CB-CB 4.26Å; R610-V656 HydrophobicContact CB-CG1 4.46Å; R610-V656 HydrophobicContact CG-CG1 4.22Å; R610-V656 PolarHBondContact N-O 3.41Å; R610-Q658 HydrophobicContact CG-CB 4.39Å; R610-E789 IonicContact CZ-OE1 3.7Å; R610-E789 IonicContact NH1-OE1 2.74Å; R610-E789 PolarHBondContact NH1-OE1 3.38Å; R610-E789 IonicContact NH1-OE2 3.56Å; R610-E789 IonicContact NH2-OE1 3.54Å; R610-E789 PolarHBondContact NH2-OE1 3.42Å
611	G	80.4	Confident	90.7	Very high	3 Å²	3	12.7 Å²	12.7	3%	0.031	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-23.1	-171	0	0	0	0	0	116.3	E521 E522 L525 L533 C609 G613	E521-G611 WeakPolarHBondContact OE1-CA 3.05Å; E521-G611 PolarHBondContact OE1-N 2.95Å; E522-G611 WeakPolarHBondContact CA-O 3.31Å; E522-G611 WeakPolarHBondContact CB-O 3.2Å; E522-G611 VanDerWaalsContact CG-O 3.3Å; E522-G611 WeakPolarHBondContact CG-O 3.42Å; L525-G611 VanDerWaalsContact CD1-CA 3.46Å; L533-G611 VanDerWaalsContact CD2-C 3.47Å; L533-G611 WeakPolarHBondContact CD2-O 3.45Å; C609-G611 PolarHBondContact O-N 3.29Å; G611-G613 PolarHBondContact O-N 3.37Å
612	E	81	Confident	90.7	Very high	4 Å²	4	12 Å²	12	2%	0.019	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0	-166.8	-67.7	-156.9	-115.4	0	0	115.8	Y288 C609 R610 R614 R652	Y288-E612 VanDerWaalsContact CE1-OE2 3.3Å; Y288-E612 WeakPolarHBondContact CE1-OE2 3.41Å; Y288-E612 PolarHBondContact OH-O 2.73Å; Y288-E612 PolarHBondContact OH-OE2 3.12Å; C609-E612 HydrophobicContact CB-CB 3.9Å; C609-E612 HydrophobicContact CB-CG 4.34Å; C609-E612 PolarHBondContact O-N 3.25Å; R610-E612 PolarHBondContact O-N 3.44Å; R610-E612 VanDerWaalsContact O-N 3.09Å; E612-R614 HydrophobicContact CB-CG 4.39Å; E612-R614 PolarHBondContact O-N 3.31Å; E612-R614 IonicContact OE1-CZ 2.97Å; E612-R614 IonicContact OE1-NE 2.95Å; E612-R614 IonicContact OE1-NH2 2.65Å; E612-R614 PolarHBondContact OE1-NH2 2.88Å; E612-R614 IonicContact OE2-CZ 2.72Å; E612-R614 VanDerWaalsContact OE2-CZ 3.25Å; E612-R614 IonicContact OE2-NE 2.7Å; E612-R614 PolarHBondContact OE2-NE 3.16Å; E612-R614 VanDerWaalsContact OE2-NE 3.1Å; E612-R614 IonicContact OE2-NH2 3.2Å; E612-R614 PolarHBondContact OE2-NH2 3.07Å; E612-R652 VanDerWaalsContact CG-NH1 3.31Å; E612-R652 IonicContact OE1-NH1 3.18Å
613	G	84.7	Confident	90.6	Very high	12 Å²	12	12 Å²	12	12%	0.124	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	7.7	-175.6	0	0	0	0	0	115.2	V518 E522 G611	V518-G613 WeakPolarHBondContact O-CA 3.33Å; E522-G613 WeakPolarHBondContact OE2-CA 3.37Å; G611-G613 PolarHBondContact O-N 3.37Å
614	R	87.5	Confident	90.2	Very high	17 Å²	17	12.1 Å²	12.1	6%	0.064	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131	176.3	-64.4	-168.4	-76.6	172.4	0.1	109.9	Y288 C609 E612 Y616 V649 P650	Y288-R614 HydrophobicContact CD1-CG 4.47Å; Y288-R614 HydrophobicContact CD2-CG 4.15Å; Y288-R614 VanDerWaalsContact CE1-CD 3.42Å; Y288-R614 HydrophobicContact CE1-CG 4.05Å; Y288-R614 HydrophobicContact CE2-CG 3.7Å; C609-R614 HydrophobicContact CB-CB 3.93Å; C609-R614 PolarHBondContact N-O 3.06Å; E612-R614 HydrophobicContact CB-CG 4.39Å; E612-R614 PolarHBondContact O-N 3.31Å; E612-R614 IonicContact OE1-CZ 2.97Å; E612-R614 IonicContact OE1-NE 2.95Å; E612-R614 IonicContact OE1-NH2 2.65Å; E612-R614 PolarHBondContact OE1-NH2 2.88Å; E612-R614 IonicContact OE2-CZ 2.72Å; E612-R614 VanDerWaalsContact OE2-CZ 3.25Å; E612-R614 IonicContact OE2-NE 2.7Å; E612-R614 PolarHBondContact OE2-NE 3.16Å; E612-R614 VanDerWaalsContact OE2-NE 3.1Å; E612-R614 IonicContact OE2-NH2 3.2Å; E612-R614 PolarHBondContact OE2-NH2 3.07Å; R614-Y616 HydrophobicContact CB-CE2 4.3Å; R614-V649 PolarHBondContact NH1-O 3.42Å; R614-P650 VanDerWaalsContact CZ-O 3.31Å; R614-P650 PolarHBondContact NH1-O 3.02Å; R614-P650 PolarHBondContact NH2-O 2.99Å
615	L	92.3	Very high	89.7	Confident	24 Å²	24	14.3 Å²	14.3	13%	0.126	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.6	175.6	-179.6	153.3	0	0	0	109.9	Q514 R515 V518 V606 K608	Q514-L615 HydrophobicContact CB-CD1 3.41Å; Q514-L615 VanDerWaalsContact CB-CD1 3.41Å; R515-L615 HydrophobicContact CG-CB 4.2Å; R515-L615 HydrophobicContact CG-CD1 4.27Å; R515-L615 HydrophobicContact CG-CD2 4.04Å; R515-L615 HydrophobicContact CG-CG 4.42Å; V518-L615 HydrophobicContact CG2-CB 4.08Å; V606-L615 HydrophobicContact CG1-CD1 3.73Å; V606-L615 HydrophobicContact CG1-CD2 4.16Å; V606-L615 HydrophobicContact CG1-CG 3.9Å; K608-L615 HydrophobicContact CG-CD1 4.19Å
616	Y	94.3	Very high	89.1	Confident	38 Å²	38	16 Å²	16	15%	0.149	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.6	172.7	-57.4	-86.8	0	0	0	109.3	I607 R614 L646 I648	I607-Y616 PolarHBondContact N-O 3.28Å; I607-Y616 PolarHBondContact O-N 2.94Å; R614-Y616 HydrophobicContact CB-CE2 4.3Å; Y616-L646 HydrophobicContact CD1-CD2 3.95Å; Y616-L646 HydrophobicContact CG-CD1 4.32Å; Y616-L646 HydrophobicContact CG-CD2 4.26Å; Y616-I648 HydrophobicContact CD2-CD1 4.1Å; Y616-I648 HydrophobicContact CD2-CG1 4.15Å; Y616-I648 HydrophobicContact CE2-CB 4.4Å; Y616-I648 HydrophobicContact CE2-CD1 3.99Å; Y616-I648 HydrophobicContact CE2-CG1 3.74Å; Y616-I648 HydrophobicContact CE2-CG2 4.1Å
617	H	94.3	Very high	88.2	Confident	35 Å²	35	20 Å²	20	16%	0.162	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	162	175.2	60.2	69.9	0	0	0	110.9	I604 G605 V606	I604-H617 HydrophobicContact CD1-CB 4.26Å; I604-H617 HydrophobicContact CG1-CB 4.5Å; G605-H617 CarbonylContact O-C 3.22Å; G605-H617 WeakPolarHBondContact O-CA 3.45Å; G605-H617 WeakPolarHBondContact O-CB 3.22Å; V606-H617 HydrophobicContact CG2-CB 4.31Å
618	S	94.6	Very high	87.4	Confident	1 Å²	1	21 Å²	21	1%	0.007	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-75	170.2	169.4	71.7	0	0	0	0	112	G605 P643	G605-S618 PolarHBondContact N-OG 3.23Å; G605-S618 PolarHBondContact O-N 3.29Å; S618-P643 CarbonylContact C-O 3.57Å; S618-P643 VanDerWaalsContact CA-O 3.27Å; S618-P643 WeakPolarHBondContact CA-O 3.41Å; S618-P643 VanDerWaalsContact CB-O 3.28Å; S618-P643 WeakPolarHBondContact CB-O 3.48Å
619	E	91.8	Very high	86.5	Confident	44 Å²	44	21.4 Å²	21.4	21%	0.206	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-63	159.7	153.8	-65.8	175.5	-154.1	0	0	109.9	P643 K645	E619-P643 HydrophobicContact CB-CB 4.43Å; E619-P643 HydrophobicContact CG-CB 4.47Å; E619-P643 PolarHBondContact N-O 3.26Å; E619-K645 IonicContact OE1-NZ 2.78Å
620	L	91.9	Very high	85.7	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-81.5	139.5	176.4	-168.7	68.6	0	0	0	109.7	V503 T575 G576 A579 H602 L603 I604 F782	V503-L620 HydrophobicContact CG1-CD2 3.43Å; V503-L620 VanDerWaalsContact CG1-CD2 3.43Å; T575-L620 CarbonylContact C-O 3.52Å; T575-L620 WeakPolarHBondContact CA-O 3.22Å; G576-L620 PolarHBondContact N-O 3.5Å; A579-L620 HydrophobicContact CB-CB 3.99Å; A579-L620 HydrophobicContact CB-CD2 3.78Å; A579-L620 HydrophobicContact CB-CG 3.87Å; H602-L620 HydrophobicContact CB-CD1 3.99Å; H602-L620 HydrophobicContact CB-CD2 4.29Å; H602-L620 HydrophobicContact CB-CG 4.29Å; L603-L620 WeakPolarHBondContact O-CD1 3.4Å; I604-L620 HydrophobicContact CB-CD1 4.01Å; I604-L620 HydrophobicContact CG2-CD1 4.49Å; L620-F782 HydrophobicContact CD1-CE1 3.85Å; L620-F782 HydrophobicContact CD1-CZ 3.72Å
621	V	92	Very high	84.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.2	175.3	-177.6	0	0	0	0	110.1	V572 T575 H602 L603 V640 L642	V572-V621 HydrophobicContact CG1-CG1 3.74Å; V572-V621 HydrophobicContact CG2-CG1 4.47Å; T575-V621 HydrophobicContact CG2-CG1 4.16Å; T575-V621 HydrophobicContact CG2-CG2 4.17Å; H602-V621 CarbonylContact C-O 3.6Å; H602-V621 WeakPolarHBondContact CA-O 3.3Å; L603-V621 PolarHBondContact N-O 3.05Å; L603-V621 PolarHBondContact O-N 2.79Å; V621-V640 HydrophobicContact CB-CG2 4.44Å; V621-V640 HydrophobicContact CG1-CG2 3.71Å; V621-L642 HydrophobicContact CB-CD2 3.66Å; V621-L642 HydrophobicContact CG1-CD2 4.49Å; V621-L642 HydrophobicContact CG2-CD2 3.56Å
622	T	90.5	Very high	84.1	Confident	7 Å²	7	32 Å²	32	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.3	178.9	-55.7	0	0	0	0	110.6	V573 G574 A579 G580 C600 Y601 H602	V573-T622 PolarHBondContact N-O 3.21Å; G574-T622 PolarHBondContact O-N 3.06Å; A579-T622 WeakPolarHBondContact CA-OG1 3.38Å; A579-T622 VanDerWaalsContact CB-OG1 3.32Å; A579-T622 WeakPolarHBondContact CB-OG1 3.39Å; G580-T622 PolarHBondContact N-OG1 3.39Å; C600-T622 HydrophobicContact CB-CG2 3.95Å; Y601-T622 WeakPolarHBondContact O-CA 3.4Å; H602-T622 WeakPolarHBondContact ND1-CG2 3.49Å; H602-T622 PolarHBondContact ND1-OG1 2.95Å
623	L	89.9	Confident	83.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.3	171	-55.8	179.2	0	0	0	111	L555 V571 V572 C600 Y601 L603 V640 P844	L555-L623 HydrophobicContact CD2-CD1 3.55Å; V571-L623 VanDerWaalsContact O-CA 3.26Å; V571-L623 WeakPolarHBondContact O-CA 3.3Å; V572-L623 HydrophobicContact CB-CD2 4.32Å; V572-L623 HydrophobicContact CG2-CD2 3.64Å; C600-L623 WeakPolarHBondContact CA-O 3.46Å; Y601-L623 PolarHBondContact N-O 3.35Å; Y601-L623 PolarHBondContact O-N 3.25Å; L603-L623 HydrophobicContact CD1-CD1 3.55Å; L603-L623 HydrophobicContact CD1-CG 4.17Å; L603-L623 HydrophobicContact CG-CD1 4.44Å; L623-V640 HydrophobicContact CD1-CG1 4.49Å; L623-V640 HydrophobicContact CD2-CB 4.26Å; L623-V640 HydrophobicContact CD2-CG2 4.09Å; L623-P844 HydrophobicContact CD1-CB 3.95Å; L623-P844 HydrophobicContact CD1-CG 3.92Å
624	M	85.5	Confident	82.9	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157	165.5	-63	179.9	69.3	0	0	109.7	Y570 V571 V573 L587 P598 D628 L629	Y570-M624 WeakPolarHBondContact CA-O 3.33Å; V571-M624 PolarHBondContact N-O 2.73Å; V571-M624 PolarHBondContact O-N 3.42Å; V573-M624 HydrophobicContact CB-CG 4.2Å; V573-M624 HydrophobicContact CB-SD 4.1Å; V573-M624 HydrophobicContact CG1-CG 4.5Å; V573-M624 HydrophobicContact CG1-SD 3.76Å; V573-M624 HydrophobicContact CG2-CB 3.9Å; V573-M624 HydrophobicContact CG2-CG 3.83Å; V573-M624 HydrophobicContact CG2-SD 3.88Å; L587-M624 HydrophobicContact CD1-CE 4.33Å; P598-M624 HydrophobicContact CB-CE 3.52Å; P598-M624 HydrophobicContact CG-CE 3.53Å; M624-D628 HydrophobicContact CE-CB 4.33Å; M624-L629 HydrophobicContact CB-CD1 4.48Å; M624-L629 HydrophobicContact CB-CG 4.49Å; M624-L629 HydrophobicContact CE-CD2 3.99Å; M624-L629 HydrophobicContact SD-CD2 3.91Å
625	H	85	Confident	82.2	Confident	47 Å²	47	50.4 Å²	50.4	22%	0.218	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	146	172.2	-169.9	-107.4	0	0	0	110.3	G569 Y570 S627 D628	G569-H625 PolarHBondContact N-NE2 3.41Å; G569-H625 WeakPolarHBondContact O-CA 3.09Å; G569-H625 PolarHBondContact O-CD2 2.54Å; G569-H625 PolarHBondContact O-NE2 3.39Å; Y570-H625 HydrophobicContact CD1-CB 4.31Å; Y570-H625 HydrophobicContact CE1-CB 4.1Å; Y570-H625 AromaticContact CE1-CD2 3.96Å; Y570-H625 AromaticContact CZ-CD2 3.92Å; H625-S627 PolarHBondContact ND1-N 3.5Å; H625-S627 PolarHBondContact ND1-OG 3.33Å; H625-S627 PolarHBondContact O-N 2.75Å; H625-D628 WeakPolarHBondContact O-CB 3.18Å; H625-D628 PolarHBondContact O-N 3.39Å
626	V	82	Confident	81.6	Confident	34 Å²	34	50.7 Å²	50.7	21%	0.206	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-57.5	-34.3	-176.5	172.1	0	0	0	0	112.6	G567 G569 V571 D628 L629 A636	G567-V626 WeakPolarHBondContact O-CB 3.43Å; G567-V626 WeakPolarHBondContact O-CG1 3.42Å; G569-V626 WeakPolarHBondContact O-CG2 3.5Å; G569-V626 PolarHBondContact O-N 2.96Å; V571-V626 HydrophobicContact CG2-CG2 3.63Å; V626-D628 PolarHBondContact O-N 3.18Å; V626-L629 PolarHBondContact O-N 3Å; V626-A636 HydrophobicContact CG2-CB 4.04Å
627	S	76.7	Confident	81	Confident	84 Å²	84	50 Å²	50	59%	0.587	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-63	-19.6	177.6	62.2	0	0	0	0	115.1	H625	H625-S627 PolarHBondContact ND1-N 3.5Å; H625-S627 PolarHBondContact ND1-OG 3.33Å; H625-S627 PolarHBondContact O-N 2.75Å
628	D	74.7	Confident	80.6	Confident	28 Å²	28	52.2 Å²	52.2	15%	0.15	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-94.8	-2	-173.7	-72.5	26.1	0	0	0	111.4	P598 T599 M624 H625 V626	P598-D628 HydrophobicContact CB-CB 3.69Å; T599-D628 PolarHBondContact N-OD2 3.24Å; M624-D628 HydrophobicContact CE-CB 4.33Å; H625-D628 WeakPolarHBondContact O-CB 3.18Å; H625-D628 PolarHBondContact O-N 3.39Å; V626-D628 PolarHBondContact O-N 3.18Å
629	L	73.8	Confident	80.2	Confident	12 Å²	12	56.1 Å²	56.1	6%	0.063	31%	0.313	C	S	.	.	S	Bend	trans	-111.4	160.8	178.3	-63.2	173	0	0	0	110.9	V571 V573 M624 V626 V631 Y634	V571-L629 HydrophobicContact CB-CD1 3.89Å; V571-L629 HydrophobicContact CG1-CD1 4.07Å; V571-L629 HydrophobicContact CG2-CD1 4.01Å; V573-L629 HydrophobicContact CG2-CD1 4.22Å; M624-L629 HydrophobicContact CB-CD1 4.48Å; M624-L629 HydrophobicContact CB-CG 4.49Å; M624-L629 HydrophobicContact CE-CD2 3.99Å; M624-L629 HydrophobicContact SD-CD2 3.91Å; V626-L629 PolarHBondContact O-N 3Å; L629-V631 PolarHBondContact O-N 3.22Å; L629-Y634 HydrophobicContact CB-CD2 3.76Å; L629-Y634 HydrophobicContact CB-CE2 4.1Å; L629-Y634 HydrophobicContact CD1-CD1 4.31Å; L629-Y634 HydrophobicContact CD1-CD2 3.8Å; L629-Y634 HydrophobicContact CD1-CE2 4.26Å; L629-Y634 HydrophobicContact CD1-CG 3.83Å; L629-Y634 HydrophobicContact CD2-CE2 4.34Å; L629-Y634 HydrophobicContact CG-CD2 4.27Å; L629-Y634 HydrophobicContact CG-CE2 4.47Å
630	P	71	Confident	80.2	Confident	49 Å²	49	54.2 Å²	54.2	32%	0.318	30%	0.304	S	S	.	.			trans	-57.4	131.5	173	-23.5	32.2	0	0	0	112.9	T586 G632 M633	T586-P630 HydrophobicContact CG2-CG 4.22Å; P630-G632 PolarHBondContact O-N 3.37Å; P630-M633 HydrophobicContact CB-CG 4.14Å; P630-M633 HydrophobicContact CB-SD 3.76Å; P630-M633 HydrophobicContact CG-SD 4.12Å; P630-M633 PolarHBondContact O-N 3.14Å
631	V	67.1	Low	80.1	Confident	152 Å²	152	56.6 Å²	56.6	92%	0.921	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	135.6	-178.9	-177.8	0	0	0	0	110.5	L629 M633	L629-V631 PolarHBondContact O-N 3.22Å; V631-M633 VanDerWaalsContact C-N 3.3Å; V631-M633 PolarHBondContact O-N 3.24Å
632	G	66	Low	80.1	Confident	80 Å²	80	56.6 Å²	56.6	83%	0.825	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-12.1	177.4	0	0	0	0	0	115.9	P630	P630-G632 PolarHBondContact O-N 3.37Å
633	M	67.9	Low	80.2	Confident	112 Å²	112	57.8 Å²	57.8	55%	0.552	33%	0.325	S	S	*	.	S	Bend	trans	-86.5	-18.9	-178.2	-67.6	-168.7	71.6	0	0	114.9	T586 P630 V631	T586-M633 HydrophobicContact CG2-CE 3.83Å; T586-M633 HydrophobicContact CG2-SD 3.83Å; P630-M633 HydrophobicContact CB-CG 4.14Å; P630-M633 HydrophobicContact CB-SD 3.76Å; P630-M633 HydrophobicContact CG-SD 4.12Å; P630-M633 PolarHBondContact O-N 3.14Å; V631-M633 VanDerWaalsContact C-N 3.3Å; V631-M633 PolarHBondContact O-N 3.24Å
634	Y	71.1	Confident	80.1	Confident	76 Å²	76	57.8 Å²	57.8	30%	0.298	33%	0.325	S	S	.	.			trans	-137.6	149.2	-172.7	-58.1	-89.1	0	0	0	112.1	V571 L629	V571-Y634 HydrophobicContact CG1-CD1 3.85Å; V571-Y634 HydrophobicContact CG1-CG 4.28Å; L629-Y634 HydrophobicContact CB-CD2 3.76Å; L629-Y634 HydrophobicContact CB-CE2 4.1Å; L629-Y634 HydrophobicContact CD1-CD1 4.31Å; L629-Y634 HydrophobicContact CD1-CD2 3.8Å; L629-Y634 HydrophobicContact CD1-CE2 4.26Å; L629-Y634 HydrophobicContact CD1-CG 3.83Å; L629-Y634 HydrophobicContact CD2-CE2 4.34Å; L629-Y634 HydrophobicContact CG-CD2 4.27Å; L629-Y634 HydrophobicContact CG-CE2 4.47Å
635	R	73.2	Confident	80.1	Confident	231 Å²	231	64.5 Å²	64.5	87%	0.872	35%	0.354	S	S	*	.			trans	-115.1	136	176.2	-173.7	178.3	-177.2	-179.7	1.8	109.7	A637	R635-A637 PolarHBondContact O-N 3.23Å
636	A	80.5	Confident	80.2	Confident	30 Å²	30	63.2 Å²	63.2	25%	0.248	35%	0.349	C	S	.	.			trans	-58.7	134.3	175.3	0	0	0	0	0	111.6	Y570 V626	Y570-A636 WeakPolarHBondContact O-CA 3.2Å; V626-A636 HydrophobicContact CG2-CB 4.04Å
637	A	82.2	Confident	80.4	Confident	24 Å²	24	63.9 Å²	63.9	20%	0.198	35%	0.35	C	S	.	.			trans	-90.1	138.9	175.3	0	0	0	0	0	110.7	L555 Y570 R635 Y639	L555-A637 HydrophobicContact CD1-CB 4.06Å; L555-A637 WeakPolarHBondContact CD1-O 3.44Å; Y570-A637 PolarHBondContact O-N 3.43Å; R635-A637 PolarHBondContact O-N 3.23Å; A637-Y639 VanDerWaalsContact C-N 3.35Å
638	P	84.2	Confident	80.7	Confident	81 Å²	81	59.9 Å²	59.9	53%	0.526	32%	0.322	S	S	.	.	S	Bend	trans	-78.4	-19.4	176.1	30.7	-33.8	0	0	0	113.2	L555	L555-P638 PolarHBondContact N-O 3.1Å
639	Y	88	Confident	81	Confident	84 Å²	84	59.7 Å²	59.7	33%	0.329	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.8	176.5	55.4	-101.3	0	0	0	111	R552 L553 A637	R552-Y639 HydrophobicContact CG-CD2 3.96Å; R552-Y639 HydrophobicContact CG-CG 4.06Å; L553-Y639 CarbonylContact O-C 3.53Å; L553-Y639 WeakPolarHBondContact O-CA 3.32Å; L553-Y639 VanDerWaalsContact O-CB 3.32Å; L553-Y639 WeakPolarHBondContact O-CB 3.33Å; A637-Y639 VanDerWaalsContact C-N 3.35Å
640	V	90.1	Very high	81	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.1	168.2	57.4	0	0	0	0	109.3	R552 L553 L555 V572 L603 V621 L623 L642	R552-V640 CarbonylContact C-O 3.46Å; R552-V640 WeakPolarHBondContact CA-O 3.36Å; L553-V640 HydrophobicContact CB-CG1 3.95Å; L553-V640 HydrophobicContact CD1-CG1 4.46Å; L553-V640 PolarHBondContact N-O 3.43Å; L553-V640 PolarHBondContact O-N 2.67Å; L555-V640 HydrophobicContact CD1-CB 4.15Å; L555-V640 HydrophobicContact CD1-CG1 4.47Å; L555-V640 HydrophobicContact CD2-CB 4.41Å; L555-V640 HydrophobicContact CD2-CG1 3.86Å; L555-V640 HydrophobicContact CG-CB 4.44Å; L555-V640 HydrophobicContact CG-CG1 4.26Å; V572-V640 HydrophobicContact CG2-CB 4.33Å; V572-V640 HydrophobicContact CG2-CG2 3.86Å; L603-V640 HydrophobicContact CD1-CG1 4.13Å; V621-V640 HydrophobicContact CB-CG2 4.44Å; V621-V640 HydrophobicContact CG1-CG2 3.71Å; L623-V640 HydrophobicContact CD1-CG1 4.49Å; L623-V640 HydrophobicContact CD2-CB 4.26Å; L623-V640 HydrophobicContact CD2-CG2 4.09Å; V640-L642 HydrophobicContact CG2-CD2 4.15Å
641	D	91.1	Very high	81.3	Confident	52 Å²	52	56.9 Å²	56.9	28%	0.278	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.1	167.8	-72.7	-26.2	0	0	0	109.4	A550 R552 P643	A550-D641 HydrophobicContact CB-CB 4.15Å; R552-D641 WeakPolarHBondContact CA-OD1 3.34Å; R552-D641 WeakPolarHBondContact CB-OD1 3.23Å; R552-D641 WeakPolarHBondContact CG-OD1 3.49Å; R552-D641 IonicContact CZ-OD1 3.39Å; R552-D641 IonicContact CZ-OD2 3.5Å; R552-D641 IonicContact NE-OD1 2.66Å; R552-D641 PolarHBondContact NE-OD1 2.96Å; R552-D641 IonicContact NE-OD2 2.76Å; R552-D641 PolarHBondContact NE-OD2 3.33Å; R552-D641 IonicContact NH2-OD1 3.45Å; R552-D641 IonicContact NH2-OD2 2.72Å; R552-D641 PolarHBondContact NH2-OD2 3.05Å; D641-P643 WeakPolarHBondContact O-CD 3.37Å
642	L	92.1	Very high	81.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104	169.5	-53.1	-174.9	0	0	0	108.2	A550 I551 L553 L603 V621 V640 A644	A550-L642 CarbonylContact C-O 3.57Å; A550-L642 VanDerWaalsContact CA-O 3.26Å; A550-L642 WeakPolarHBondContact CA-O 3.36Å; A550-L642 WeakPolarHBondContact CB-O 3.48Å; I551-L642 HydrophobicContact CB-CB 4.36Å; I551-L642 PolarHBondContact N-O 3.26Å; I551-L642 PolarHBondContact O-N 3.04Å; L553-L642 HydrophobicContact CD1-CD1 3.73Å; L553-L642 HydrophobicContact CD1-CG 4.17Å; L553-L642 HydrophobicContact CG-CD1 4.44Å; L603-L642 HydrophobicContact CB-CD1 4.5Å; L603-L642 HydrophobicContact CB-CD2 3.98Å; V621-L642 HydrophobicContact CB-CD2 3.66Å; V621-L642 HydrophobicContact CG1-CD2 4.49Å; V621-L642 HydrophobicContact CG2-CD2 3.56Å; V640-L642 HydrophobicContact CG2-CD2 4.15Å; L642-A644 PolarHBondContact O-N 3.17Å
643	P	91.8	Very high	81.6	Confident	31 Å²	31	48.9 Å²	48.9	20%	0.201	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.3	-177	-19.9	32.5	0	0	0	110.9	S618 E619 D641	S618-P643 CarbonylContact C-O 3.57Å; S618-P643 VanDerWaalsContact CA-O 3.27Å; S618-P643 WeakPolarHBondContact CA-O 3.41Å; S618-P643 VanDerWaalsContact CB-O 3.28Å; S618-P643 WeakPolarHBondContact CB-O 3.48Å; E619-P643 HydrophobicContact CB-CB 4.43Å; E619-P643 HydrophobicContact CG-CB 4.47Å; E619-P643 PolarHBondContact N-O 3.26Å; D641-P643 WeakPolarHBondContact O-CD 3.37Å
644	A	88	Confident	81.6	Confident	1 Å²	1	47 Å²	47	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	-35.8	-177.8	0	0	0	0	0	113.6	L548 S549 L642 L646	L548-A644 HydrophobicContact CD1-CB 3.96Å; S549-A644 PolarHBondContact O-N 3.33Å; L642-A644 PolarHBondContact O-N 3.17Å; A644-L646 VanDerWaalsContact C-N 3.3Å; A644-L646 HydrophobicContact CB-CD1 4.06Å; A644-L646 HydrophobicContact CB-CD2 4.39Å; A644-L646 HydrophobicContact CB-CG 3.8Å; A644-L646 VanDerWaalsContact O-CD2 3.29Å; A644-L646 WeakPolarHBondContact O-CD2 3.45Å; A644-L646 PolarHBondContact O-N 2.98Å
645	K	86.2	Confident	81.9	Confident	144 Å²	144	43.4 Å²	43.4	63%	0.626	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49.4	46.4	174.8	-60.6	169.1	-176.2	154.3	0	113.1	L548 S549 E619	L548-K645 CarbonylContact O-C 3.58Å; L548-K645 WeakPolarHBondContact O-CA 3.44Å; S549-K645 PolarHBondContact O-N 2.91Å; E619-K645 IonicContact OE1-NZ 2.78Å
646	L	86.3	Confident	82.3	Confident	20 Å²	20	34.2 Å²	34.2	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	143.1	-170.6	-56.3	177.5	0	0	0	112.1	K547 L548 I607 Y616 A644	K547-L646 WeakPolarHBondContact CA-O 3.38Å; L548-L646 HydrophobicContact CD1-CD1 4.32Å; L548-L646 HydrophobicContact CD2-CD1 4.38Å; L548-L646 HydrophobicContact CG-CB 4.27Å; L548-L646 HydrophobicContact CG-CD1 4.45Å; L548-L646 PolarHBondContact N-O 2.89Å; L548-L646 PolarHBondContact O-N 2.8Å; I607-L646 HydrophobicContact CD1-CD1 3.9Å; Y616-L646 HydrophobicContact CD1-CD2 3.95Å; Y616-L646 HydrophobicContact CG-CD1 4.32Å; Y616-L646 HydrophobicContact CG-CD2 4.26Å; A644-L646 VanDerWaalsContact C-N 3.3Å; A644-L646 HydrophobicContact CB-CD1 4.06Å; A644-L646 HydrophobicContact CB-CD2 4.39Å; A644-L646 HydrophobicContact CB-CG 3.8Å; A644-L646 VanDerWaalsContact O-CD2 3.29Å; A644-L646 WeakPolarHBondContact O-CD2 3.45Å; A644-L646 PolarHBondContact O-N 2.98Å
647	E	86.8	Confident	82.7	Confident	47 Å²	47	32.9 Å²	32.9	22%	0.22	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	108.4	163.9	-168.5	-176	149.9	0	0	109.5	R545 M546 K547 V649	R545-E647 WeakPolarHBondContact CD-OE1 3.38Å; R545-E647 IonicContact CZ-OE1 3.52Å; R545-E647 IonicContact NE-OE1 3.6Å; R545-E647 IonicContact NH1-OE1 3.37Å; R545-E647 PolarHBondContact NH1-OE1 3.42Å; M546-E647 CarbonylContact O-C 3.52Å; M546-E647 WeakPolarHBondContact O-CA 3.3Å; K547-E647 HydrophobicContact CD-CG 4.4Å; K547-E647 WeakPolarHBondContact CE-OE2 3.28Å; K547-E647 HydrophobicContact CG-CB 4.29Å; K547-E647 HydrophobicContact CG-CG 3.87Å; K547-E647 IonicContact NZ-OE2 3.84Å; K547-E647 PolarHBondContact NZ-OE2 3.15Å; E647-V649 HydrophobicContact CB-CG2 4.48Å; E647-V649 HydrophobicContact CG-CG2 3.57Å; E647-V649 VanDerWaalsContact OE1-CG2 3.28Å; E647-V649 WeakPolarHBondContact OE1-CG2 3.39Å
648	I	83.4	Confident	83.1	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.1	179.4	-52	-176.4	0	0	0	108.6	R545 M546 Y616 V651 F657	R545-I648 WeakPolarHBondContact CA-O 3.39Å; M546-I648 HydrophobicContact CB-CB 4.28Å; M546-I648 PolarHBondContact N-O 3.17Å; M546-I648 PolarHBondContact O-N 3.44Å; M546-I648 HydrophobicContact SD-CD1 4.33Å; Y616-I648 HydrophobicContact CD2-CD1 4.1Å; Y616-I648 HydrophobicContact CD2-CG1 4.15Å; Y616-I648 HydrophobicContact CE2-CB 4.4Å; Y616-I648 HydrophobicContact CE2-CD1 3.99Å; Y616-I648 HydrophobicContact CE2-CG1 3.74Å; Y616-I648 HydrophobicContact CE2-CG2 4.1Å; I648-V651 HydrophobicContact CB-CG2 4.07Å; I648-V651 HydrophobicContact CG2-CG2 3.95Å; I648-V651 WeakPolarHBondContact O-CG2 3.45Å; I648-F657 HydrophobicContact CD1-CD1 4.22Å; I648-F657 HydrophobicContact CD1-CE1 3.75Å; I648-F657 HydrophobicContact CD1-CE2 4.26Å; I648-F657 HydrophobicContact CD1-CZ 3.77Å; I648-F657 HydrophobicContact CG2-CE1 4.17Å; I648-F657 HydrophobicContact CG2-CZ 4.15Å
649	V	80.8	Confident	83.5	Confident	24 Å²	24	28.7 Å²	28.7	15%	0.145	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	130.5	-172.1	-169	0	0	0	0	111.7	R543 R545 R614 E647	R543-V649 VanDerWaalsContact NH1-CG1 3.28Å; R545-V649 HydrophobicContact CB-CG2 4.42Å; R545-V649 HydrophobicContact CG-CG1 4.08Å; R545-V649 HydrophobicContact CG-CG2 4.09Å; R614-V649 PolarHBondContact NH1-O 3.42Å; E647-V649 HydrophobicContact CB-CG2 4.48Å; E647-V649 HydrophobicContact CG-CG2 3.57Å; E647-V649 VanDerWaalsContact OE1-CG2 3.28Å; E647-V649 WeakPolarHBondContact OE1-CG2 3.39Å
650	P	73.2	Confident	83.8	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-64.9	167.4	-25.4	33.5	-36.3	0	0	0	110.8	P535 P536 R543 A544 R614	P535-P650 HydrophobicContact CB-CG 3.72Å; P536-P650 HydrophobicContact CG-CB 3.75Å; P536-P650 HydrophobicContact CG-CG 3.84Å; R543-P650 HydrophobicContact CG-CB 3.84Å; A544-P650 CarbonylContact O-C 3.57Å; A544-P650 WeakPolarHBondContact O-CA 3.37Å; R614-P650 VanDerWaalsContact CZ-O 3.31Å; R614-P650 PolarHBondContact NH1-O 3.02Å; R614-P650 PolarHBondContact NH2-O 2.99Å
651	V	77	Confident	84	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.6	162.2	177.5	0	0	0	0	108.7	A544 M546 I648 F655 F657	A544-V651 HydrophobicContact CB-CB 3.83Å; A544-V651 HydrophobicContact CB-CG1 4.48Å; A544-V651 PolarHBondContact O-N 3.44Å; M546-V651 HydrophobicContact CB-CG2 3.82Å; I648-V651 HydrophobicContact CB-CG2 4.07Å; I648-V651 HydrophobicContact CG2-CG2 3.95Å; I648-V651 WeakPolarHBondContact O-CG2 3.45Å; V651-F655 HydrophobicContact CG1-CB 3.64Å; V651-F655 HydrophobicContact CG1-CD1 3.31Å; V651-F655 HydrophobicContact CG1-CD2 4.39Å; V651-F655 HydrophobicContact CG1-CE1 3.98Å; V651-F655 HydrophobicContact CG1-CG 3.54Å; V651-F657 HydrophobicContact CG1-CE2 4.42Å; V651-F657 HydrophobicContact CG1-CZ 3.97Å; V651-F657 HydrophobicContact CG2-CZ 4.17Å
652	R	72.8	Confident	84.2	Confident	24 Å²	24	22.6 Å²	22.6	9%	0.091	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-73.3	155.3	-179.9	-111.8	171.7	54.3	-145.3	-8.5	111.7	R610 E612 D654 F655	R610-R652 PolarHBondContact O-NH1 2.8Å; E612-R652 VanDerWaalsContact CG-NH1 3.31Å; E612-R652 IonicContact OE1-NH1 3.18Å; R652-D654 IonicContact CZ-OD1 3.91Å; R652-D654 IonicContact CZ-OD2 2.69Å; R652-D654 IonicContact NE-OD1 2.76Å; R652-D654 PolarHBondContact NE-OD1 2.86Å; R652-D654 IonicContact NE-OD2 2.76Å; R652-D654 PolarHBondContact NH2-O 2.86Å; R652-D654 IonicContact NH2-OD1 2.75Å; R652-D654 PolarHBondContact NH2-OD1 2.85Å; R652-D654 IonicContact NH2-OD2 3.86Å; R652-D654 PolarHBondContact NH2-OD2 3.23Å; R652-D654 PolarHBondContact O-N 2.97Å; R652-F655 HydrophobicContact CB-CB 4.48Å; R652-F655 PolarHBondContact O-N 2.87Å
653	P	66.8	Low	84.3	Confident	39 Å²	39	23.2 Å²	23.2	25%	0.253	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-43.5	170.1	-28.4	36.5	0	0	0	113.3	Y792 W1033	P653-Y792 WeakPolarHBondContact O-CD2 3.45Å; P653-W1033 VanDerWaalsContact CA-O 3.23Å; P653-W1033 WeakPolarHBondContact CA-O 3.32Å; P653-W1033 HydrophobicContact CB-CG 4.37Å; P653-W1033 VanDerWaalsContact CB-O 3.23Å; P653-W1033 WeakPolarHBondContact CB-O 3.24Å; P653-W1033 HydrophobicContact CG-CG 4.33Å
654	D	69.1	Low	84.2	Confident	72 Å²	72	21.7 Å²	21.7	39%	0.385	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	39.1	-168.5	64.7	-40.6	0	0	0	110.8	V532 R652 V656	V532-D654 WeakPolarHBondContact CG1-OD2 2.93Å; R652-D654 IonicContact CZ-OD1 3.91Å; R652-D654 IonicContact CZ-OD2 2.69Å; R652-D654 IonicContact NE-OD1 2.76Å; R652-D654 PolarHBondContact NE-OD1 2.86Å; R652-D654 IonicContact NE-OD2 2.76Å; R652-D654 PolarHBondContact NH2-O 2.86Å; R652-D654 IonicContact NH2-OD1 2.75Å; R652-D654 PolarHBondContact NH2-OD1 2.85Å; R652-D654 IonicContact NH2-OD2 3.86Å; R652-D654 PolarHBondContact NH2-OD2 3.23Å; R652-D654 PolarHBondContact O-N 2.97Å; D654-V656 PolarHBondContact O-N 2.97Å
655	F	75.8	Confident	84.2	Confident	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.125	C	C	.	.			trans	-62.3	136.3	-172	73.2	-97.1	0	0	0	112.5	V651 R652 F657 Y792 L797 V856	V651-F655 HydrophobicContact CG1-CB 3.64Å; V651-F655 HydrophobicContact CG1-CD1 3.31Å; V651-F655 HydrophobicContact CG1-CD2 4.39Å; V651-F655 HydrophobicContact CG1-CE1 3.98Å; V651-F655 HydrophobicContact CG1-CG 3.54Å; R652-F655 HydrophobicContact CB-CB 4.48Å; R652-F655 PolarHBondContact O-N 2.87Å; F655-F657 HydrophobicContact CB-CE2 4.33Å; F655-F657 HydrophobicContact CB-CZ 4.11Å; F655-F657 AromaticContact CD2-CD2 3.47Å; F655-F657 HydrophobicContact CD2-CD2 3.47Å; F655-F657 VanDerWaalsContact CD2-CD2 3.47Å; F655-F657 AromaticContact CD2-CE2 3.21Å; F655-F657 HydrophobicContact CD2-CE2 3.21Å; F655-F657 HydrophobicContact CD2-CG 4.3Å; F655-F657 AromaticContact CD2-CZ 3.87Å; F655-F657 HydrophobicContact CD2-CZ 3.87Å; F655-F657 AromaticContact CE2-CD2 3.78Å; F655-F657 HydrophobicContact CE2-CD2 3.78Å; F655-F657 AromaticContact CE2-CE2 3.58Å; F655-F657 HydrophobicContact CE2-CE2 3.58Å; F655-F657 AromaticContact CG-CE2 3.92Å; F655-F657 HydrophobicContact CG-CE2 3.92Å; F655-F657 HydrophobicContact CG-CZ 4.16Å; F655-Y792 HydrophobicContact CD1-CD2 4.33Å; F655-Y792 HydrophobicContact CE1-CD2 4.06Å; F655-Y792 HydrophobicContact CE1-CG 4.5Å; F655-Y792 PolarHBondContact O-N 3.09Å; F655-Y792 VanDerWaalsContact O-N 3.15Å; F655-L797 HydrophobicContact CE1-CD1 4.21Å; F655-L797 HydrophobicContact CZ-CD1 4.49Å; F655-V856 HydrophobicContact CZ-CG2 4.33Å
656	V	82.4	Confident	84	Confident	38 Å²	38	19.4 Å²	19.4	23%	0.23	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111	168.7	-176.5	0	0	0	0	107.3	R610 D654 E789 I790 R791	R610-V656 HydrophobicContact CB-CB 4.26Å; R610-V656 HydrophobicContact CB-CG1 4.46Å; R610-V656 HydrophobicContact CG-CG1 4.22Å; R610-V656 PolarHBondContact N-O 3.41Å; D654-V656 PolarHBondContact O-N 2.97Å; V656-E789 HydrophobicContact CG1-CB 4.41Å; V656-I790 WeakPolarHBondContact CA-O 3.11Å; V656-R791 HydrophobicContact CG1-CG 4.26Å; V656-R791 HydrophobicContact CG2-CG 4.26Å
657	F	87.8	Confident	83.5	Confident	3 Å²	3	19.8 Å²	19.8	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124	172.4	-57.9	-51.6	0	0	0	108.8	M546 I607 K608 C609 I648 V651 F655 I790	M546-F657 HydrophobicContact SD-CD2 3.85Å; M546-F657 HydrophobicContact SD-CE2 3.45Å; M546-F657 WeakPolarHBondContact SD-CE2 3.45Å; M546-F657 HydrophobicContact SD-CZ 4.32Å; I607-F657 HydrophobicContact CG2-CB 4.13Å; I607-F657 HydrophobicContact CG2-CG 4.48Å; K608-F657 CarbonylContact O-C 3.55Å; K608-F657 VanDerWaalsContact O-CA 3.3Å; K608-F657 WeakPolarHBondContact O-CA 3.28Å; C609-F657 HydrophobicContact CB-CD1 4.2Å; C609-F657 HydrophobicContact CB-CE1 4.23Å; C609-F657 VanDerWaalsContact SG-CE1 3.55Å; I648-F657 HydrophobicContact CD1-CD1 4.22Å; I648-F657 HydrophobicContact CD1-CE1 3.75Å; I648-F657 HydrophobicContact CD1-CE2 4.26Å; I648-F657 HydrophobicContact CD1-CZ 3.77Å; I648-F657 HydrophobicContact CG2-CE1 4.17Å; I648-F657 HydrophobicContact CG2-CZ 4.15Å; V651-F657 HydrophobicContact CG1-CE2 4.42Å; V651-F657 HydrophobicContact CG1-CZ 3.97Å; V651-F657 HydrophobicContact CG2-CZ 4.17Å; F655-F657 HydrophobicContact CB-CE2 4.33Å; F655-F657 HydrophobicContact CB-CZ 4.11Å; F655-F657 AromaticContact CD2-CD2 3.47Å; F655-F657 HydrophobicContact CD2-CD2 3.47Å; F655-F657 VanDerWaalsContact CD2-CD2 3.47Å; F655-F657 AromaticContact CD2-CE2 3.21Å; F655-F657 HydrophobicContact CD2-CE2 3.21Å; F655-F657 HydrophobicContact CD2-CG 4.3Å; F655-F657 AromaticContact CD2-CZ 3.87Å; F655-F657 HydrophobicContact CD2-CZ 3.87Å; F655-F657 AromaticContact CE2-CD2 3.78Å; F655-F657 HydrophobicContact CE2-CD2 3.78Å; F655-F657 AromaticContact CE2-CE2 3.58Å; F655-F657 HydrophobicContact CE2-CE2 3.58Å; F655-F657 AromaticContact CG-CE2 3.92Å; F655-F657 HydrophobicContact CG-CE2 3.92Å; F655-F657 HydrophobicContact CG-CZ 4.16Å; F657-I790 HydrophobicContact CB-CB 4.33Å; F657-I790 PolarHBondContact N-O 2.8Å; F657-I790 WeakPolarHBondContact O-CB 3.34Å; F657-I790 PolarHBondContact O-N 3.23Å
658	Q	90.9	Very high	82.2	Confident	15 Å²	15	20.2 Å²	20.2	7%	0.07	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.3	170.9	-172.3	-165.6	-11.7	0	0	108.5	I607 K608 R610 E660 T787 E789	I607-Q658 WeakPolarHBondContact CA-O 3.48Å; K608-Q658 HydrophobicContact CB-CB 4.3Å; K608-Q658 PolarHBondContact N-O 3.32Å; K608-Q658 PolarHBondContact O-N 3.24Å; R610-Q658 HydrophobicContact CG-CB 4.39Å; Q658-E660 HydrophobicContact CG-CG 4.23Å; Q658-E660 PolarHBondContact NE2-OE1 3.13Å; Q658-T787 WeakPolarHBondContact CG-OG1 3.28Å; Q658-T787 PolarHBondContact NE2-OG1 3.01Å; Q658-E789 HydrophobicContact CG-CG 4.43Å
659	L	92.2	Very high	80.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.6	170.2	173.4	62.3	0	0	0	109	I551 V606 I607 I661 T787 V788 I790 L834	I551-L659 HydrophobicContact CD1-CD1 3.84Å; I551-L659 HydrophobicContact CG2-CD2 4.28Å; V606-L659 CarbonylContact O-C 3.52Å; V606-L659 WeakPolarHBondContact O-CA 3.42Å; I607-L659 HydrophobicContact CD1-CD1 4.39Å; I607-L659 HydrophobicContact CG1-CD1 3.77Å; L659-I661 HydrophobicContact CD1-CD1 3.81Å; L659-I661 HydrophobicContact CD2-CD1 4.33Å; L659-I661 HydrophobicContact CG-CD1 4.05Å; L659-T787 CarbonylContact O-C 3.59Å; L659-T787 VanDerWaalsContact O-CA 3.27Å; L659-T787 WeakPolarHBondContact O-CA 3.22Å; L659-T787 PolarHBondContact O-OG1 3Å; L659-V788 PolarHBondContact N-O 2.92Å; L659-V788 PolarHBondContact O-N 2.91Å; L659-I790 HydrophobicContact CB-CD1 3.88Å; L659-I790 HydrophobicContact CD2-CD1 4.19Å; L659-L834 HydrophobicContact CD2-CD1 4.27Å
660	E	94.8	Very high	78.6	Confident	10 Å²	10	31.6 Å²	31.6	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.4	174.7	-69.2	177.2	169.5	0	0	109.4	V606 K608 Q658 Y662 L784	V606-E660 HydrophobicContact CB-CB 4.41Å; V606-E660 PolarHBondContact N-O 3.28Å; V606-E660 PolarHBondContact O-N 2.86Å; K608-E660 WeakPolarHBondContact CE-OE2 3.2Å; K608-E660 IonicContact NZ-OE1 3.46Å; K608-E660 PolarHBondContact NZ-OE1 2.98Å; K608-E660 IonicContact NZ-OE2 2.72Å; K608-E660 PolarHBondContact NZ-OE2 2.65Å; Q658-E660 HydrophobicContact CG-CG 4.23Å; Q658-E660 PolarHBondContact NE2-OE1 3.13Å; E660-Y662 HydrophobicContact CB-CD2 4.21Å; E660-Y662 HydrophobicContact CB-CE2 3.51Å; E660-Y662 HydrophobicContact CG-CE2 4.45Å; E660-Y662 WeakPolarHBondContact OE2-CE2 3.32Å; E660-Y662 PolarHBondContact OE2-OH 2.78Å; E660-L784 HydrophobicContact CB-CD1 3.78Å; E660-L784 HydrophobicContact CG-CD1 4.13Å
661	I	94.6	Very high	76.6	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.6	177.7	-54.1	-58.1	0	0	0	109.1	I551 L553 L659 L785 S786 L836 L845	I551-I661 HydrophobicContact CG2-CD1 4.42Å; L553-I661 HydrophobicContact CD1-CD1 4.43Å; L553-I661 HydrophobicContact CD1-CG2 3.98Å; L553-I661 HydrophobicContact CD2-CD1 4Å; L553-I661 HydrophobicContact CD2-CG1 4.32Å; L659-I661 HydrophobicContact CD1-CD1 3.81Å; L659-I661 HydrophobicContact CD2-CD1 4.33Å; L659-I661 HydrophobicContact CG-CD1 4.05Å; I661-L785 HydrophobicContact CG2-CD1 4.32Å; I661-L785 WeakPolarHBondContact O-CB 3.33Å; I661-L785 PolarHBondContact O-N 3.11Å; I661-S786 PolarHBondContact N-O 2.97Å; I661-L836 HydrophobicContact CG1-CD2 4.18Å; I661-L845 HydrophobicContact CG2-CD1 3.97Å
662	Y	95.4	Very high	74.7	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.9	179	-69.8	-92.7	0	0	0	111.6	L510 Q514 L603 I604 V606 E660 S783 L784	L510-Y662 HydrophobicContact CD1-CD1 3.8Å; L510-Y662 HydrophobicContact CD1-CE1 3.67Å; L510-Y662 HydrophobicContact CD1-CE2 4.41Å; L510-Y662 HydrophobicContact CD1-CG 4.26Å; L510-Y662 HydrophobicContact CD2-CD1 4.03Å; L510-Y662 HydrophobicContact CD2-CD2 4.09Å; L510-Y662 HydrophobicContact CD2-CG 3.74Å; Q514-Y662 PolarHBondContact NE2-OH 3.26Å; L603-Y662 WeakPolarHBondContact CA-O 3.33Å; I604-Y662 PolarHBondContact N-O 2.95Å; I604-Y662 PolarHBondContact O-N 3.43Å; V606-Y662 HydrophobicContact CB-CD2 4.39Å; V606-Y662 HydrophobicContact CB-CE2 4.18Å; V606-Y662 HydrophobicContact CG2-CD2 3.88Å; V606-Y662 HydrophobicContact CG2-CE2 3.97Å; E660-Y662 HydrophobicContact CB-CD2 4.21Å; E660-Y662 HydrophobicContact CB-CE2 3.51Å; E660-Y662 HydrophobicContact CG-CE2 4.45Å; E660-Y662 WeakPolarHBondContact OE2-CE2 3.32Å; E660-Y662 PolarHBondContact OE2-OH 2.78Å; Y662-S783 WeakPolarHBondContact CA-O 3.29Å; Y662-L784 HydrophobicContact CD1-CB 4.13Å; Y662-L784 HydrophobicContact CD1-CD1 4.43Å; Y662-L784 HydrophobicContact CD2-CD1 4.43Å; Y662-L784 HydrophobicContact CE1-CB 3.74Å; Y662-L784 HydrophobicContact CE1-CD1 4.01Å; Y662-L784 HydrophobicContact CE1-CG 4.45Å; Y662-L784 HydrophobicContact CE2-CD1 4.02Å
663	C	93.6	Very high	72.6	Confident	12 Å²	12	49.9 Å²	49.9	8%	0.081	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.5	174.9	-173.9	0	0	0	0	111.1	H602 L603 S783 L785	H602-C663 CarbonylContact O-C 3.58Å; H602-C663 VanDerWaalsContact O-CA 3.3Å; H602-C663 WeakPolarHBondContact O-CA 3.47Å; L603-C663 HydrophobicContact CD2-CB 3.69Å; C663-S783 PolarHBondContact N-O 2.94Å; C663-S783 PolarHBondContact O-N 3.43Å; C663-L785 HydrophobicContact CB-CD1 3.52Å; C663-L785 HydrophobicContact CB-CD2 3.97Å; C663-L785 HydrophobicContact CB-CG 3.67Å
664	M	90.7	Very high	70.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.3	162.5	-172.9	167.4	80.5	0	0	109.6	V503 H602 T666 A780 A781 F782	V503-M664 HydrophobicContact CB-CE 4.08Å; V503-M664 HydrophobicContact CG1-CE 4.27Å; V503-M664 HydrophobicContact CG2-CE 3.6Å; H602-M664 PolarHBondContact N-O 3.03Å; H602-M664 PolarHBondContact O-N 3.5Å; M664-T666 HydrophobicContact CE-CG2 3.89Å; M664-A780 HydrophobicContact CG-CB 4.14Å; M664-A780 HydrophobicContact SD-CB 4.09Å; M664-A780 VanDerWaalsContact SD-O 3.36Å; M664-A781 VanDerWaalsContact SD-CA 3.58Å; M664-F782 HydrophobicContact CB-CD1 3.71Å; M664-F782 HydrophobicContact CB-CD2 4.02Å; M664-F782 HydrophobicContact CB-CE1 3.75Å; M664-F782 HydrophobicContact CB-CE2 4.05Å; M664-F782 HydrophobicContact CB-CG 3.84Å; M664-F782 HydrophobicContact CB-CZ 3.92Å; M664-F782 HydrophobicContact CE-CE2 4.26Å; M664-F782 HydrophobicContact SD-CD2 4.11Å; M664-F782 HydrophobicContact SD-CE2 4.09Å
665	R	86.7	Confident	68.9	Low	85 Å²	85	57.9 Å²	57.9	32%	0.321	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.1	173.2	-174.3	-175.4	172.7	-163.9	4.2	109.7	T599 C600 Y601 D669 A780	T599-R665 HydrophobicContact CG2-CG 3.76Å; T599-R665 PolarHBondContact OG1-NH2 3.43Å; C600-R665 WeakPolarHBondContact O-CA 3.4Å; Y601-R665 HydrophobicContact CD1-CG 4.4Å; Y601-R665 HydrophobicContact CE1-CG 4.23Å; R665-D669 IonicContact CZ-OD1 3.59Å; R665-D669 IonicContact NH1-OD1 2.73Å; R665-D669 PolarHBondContact NH1-OD1 2.98Å; R665-D669 IonicContact NH2-OD1 3.47Å; R665-D669 PolarHBondContact NH2-OD1 2.92Å; R665-A780 VanDerWaalsContact O-CB 3.27Å; R665-A780 WeakPolarHBondContact O-CB 3.41Å
666	T	82.8	Confident	66.5	Low	12 Å²	12	61.6 Å²	61.6	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	167.9	172.1	57.9	0	0	0	0	110.1	V503 T599 C600 H602 M664 A780	V503-T666 HydrophobicContact CG2-CG2 4.39Å; T599-T666 WeakPolarHBondContact CA-O 3.37Å; C600-T666 WeakPolarHBondContact CB-OG1 3.49Å; C600-T666 PolarHBondContact N-O 3.17Å; C600-T666 PolarHBondContact O-N 3.33Å; H602-T666 WeakPolarHBondContact NE2-CG2 3.17Å; H602-T666 PolarHBondContact NE2-OG1 2.84Å; M664-T666 HydrophobicContact CE-CG2 3.89Å; T666-A780 HydrophobicContact CG2-CB 4.02Å
667	G	75.1	Confident	63.9	Low	28 Å²	28	71.5 Å²	71.5	29%	0.289	38%	0.38	S	S	.	.	S	Bend	trans	91.2	179.3	-172.3	0	0	0	0	0	113.7	P598	P598-G667 WeakPolarHBondContact O-CA 3.29Å
668	T	60.9	Low	61	Low	56 Å²	56	74.5 Å²	74.5	34%	0.344	41%	0.412	S	S	.	.			trans	-78	141.2	-171.7	54.9	0	0	0	0	113.5	Q597 T599 R670	Q597-T668 HydrophobicContact CB-CG2 4.17Å; Q597-T668 PolarHBondContact N-OG1 3.29Å; Q597-T668 PolarHBondContact O-N 3.02Å; Q597-T668 PolarHBondContact O-OG1 3.44Å; T599-T668 PolarHBondContact OG1-O 3Å; T668-R670 VanDerWaalsContact C-N 3.33Å; T668-R670 PolarHBondContact O-N 2.81Å
669	D	49.4	Very low	57.9	Low	121 Å²	121	79 Å²	79	65%	0.647	45%	0.445	S	S	*	.			trans	-81.5	74.2	-175.2	-145.1	-10.3	0	0	0	111.7	R665 P671	R665-D669 IonicContact CZ-OD1 3.59Å; R665-D669 IonicContact NH1-OD1 2.73Å; R665-D669 PolarHBondContact NH1-OD1 2.98Å; R665-D669 IonicContact NH2-OD1 3.47Å; R665-D669 PolarHBondContact NH2-OD1 2.92Å; D669-P671 VanDerWaalsContact O-CD 3.27Å; D669-P671 WeakPolarHBondContact O-CD 3.32Å
670	R	37.6	Very low	54.9	Low	143 Å²	143	84.6 Å²	84.6	54%	0.54	48%	0.481	S	S	.	.			trans	-64.4	116.6	165.6	-81.1	-175.6	164.1	-163.7	-8	109.3	T668 M672	T668-R670 VanDerWaalsContact C-N 3.33Å; T668-R670 PolarHBondContact O-N 2.81Å; R670-M672 PolarHBondContact O-N 2.7Å
671	P	32.5	Very low	51.8	Low	105 Å²	105	95.3 Å²	95.3	68%	0.682	52%	0.521	S	S	*	.			trans	-72.8	121.9	178.2	29	-33.2	0	0	0	110.2	D669 N673	D669-P671 VanDerWaalsContact O-CD 3.27Å; D669-P671 WeakPolarHBondContact O-CD 3.32Å; P671-N673 PolarHBondContact O-N 3.39Å
672	M	35.9	Very low	48.6	Very low	154 Å²	154	103.1 Å²	103.1	76%	0.759	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	15.5	-179.5	-68.1	-170.1	73	0	0	115.1	R670	R670-M672 PolarHBondContact O-N 2.7Å
673	N	30.3	Very low	45.4	Very low	150 Å²	150	111 Å²	111	80%	0.802	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-6	-172.4	-77.5	15.1	0	0	0	114.7	P671	P671-N673 PolarHBondContact O-N 3.39Å
674	N	27.7	Very low	42.2	Very low	150 Å²	150	112.9 Å²	112.9	80%	0.802	62%	0.624	S	S	*	*			trans	-121.8	18.5	-171.3	-109.4	27.2	0	0	0	115.8	A676	N674-A676 PolarHBondContact O-N 2.84Å
675	C	29.3	Very low	39.4	Very low	129 Å²	129	119.5 Å²	119.5	87%	0.872	67%	0.665	S	S	*	*			trans	-76.5	56.1	163	-68.3	0	0	0	0	110.9
676	A	25.9	Very low	36.6	Very low	80 Å²	80	120.4 Å²	120.4	66%	0.661	68%	0.684	S	S	*	*			trans	-74	143.3	168.8	0	0	0	0	0	109.6	N674 G678	N674-A676 PolarHBondContact O-N 2.84Å; A676-G678 PolarHBondContact O-N 2.72Å
677	Y	27.9	Very low	34	Very low	245 Å²	245	127.2 Å²	127.2	96%	0.961	72%	0.719	S	S	*	*			trans	-51.2	102.6	-176.4	-62.8	-93.4	0	0	0	112.9
678	G	26.9	Very low	31.8	Very low	66 Å²	66	131.2 Å²	131.2	68%	0.68	74%	0.737	S	S	*	*			trans	-132.3	104.5	179.9	0	0	0	0	0	110.8	A676	A676-G678 PolarHBondContact O-N 2.72Å
679	S	24.8	Very low	30.4	Very low	111 Å²	111	139 Å²	139	78%	0.776	76%	0.762	S	S	*	*			trans	-66.8	129.1	-178.5	-179.1	0	0	0	0	111.6	R681	S679-R681 PolarHBondContact O-N 2.65Å; S679-R681 VanDerWaalsContact O-N 3.14Å
680	P	31	Very low	29.6	Very low	118 Å²	118	136.7 Å²	136.7	77%	0.766	77%	0.767	S	S	*	*			trans	-71.4	107	175	29.3	-32.7	0	0	0	109.7	I682	P680-I682 PolarHBondContact O-N 2.7Å
681	R	28.3	Very low	29.4	Very low	235 Å²	235	136.6 Å²	136.6	89%	0.887	78%	0.777	S	S	*	*			trans	-66.2	123.6	172.7	-79.4	-176	173.6	160.8	-1.6	110.1	S679 L683	S679-R681 PolarHBondContact O-N 2.65Å; S679-R681 VanDerWaalsContact O-N 3.14Å; R681-L683 PolarHBondContact O-N 2.97Å
682	I	27.1	Very low	29.4	Very low	165 Å²	165	138 Å²	138	85%	0.846	78%	0.779	S	S	*	*			trans	-62.5	123.9	169.9	-59	163.8	0	0	0	108.5	P680	P680-I682 PolarHBondContact O-N 2.7Å
683	L	28.9	Very low	29.3	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	78%	0.775	S	S	*	*			trans	-136.2	100.7	163	-93.1	172.4	0	0	0	109.4	R681	R681-L683 PolarHBondContact O-N 2.97Å
684	G	27.4	Very low	29.4	Very low	50 Å²	50	134.5 Å²	134.5	52%	0.515	77%	0.769	S	S	.	*			trans	-86	-179.3	154.2	0	0	0	0	0	110.7
685	T	31	Very low	29.6	Very low	140 Å²	140	134.3 Å²	134.3	86%	0.859	77%	0.768	S	S	*	*			trans	58.4	88.5	166.1	61.9	0	0	0	0	118.5
686	S	27.9	Very low	29.9	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	77%	0.767	S	S	*	*				74.5	123.4	109	-140.2	0	0	0	0	122.3
687	L	28.6	Very low	30.2	Very low	155 Å²	155	138.6 Å²	138.6	81%	0.812	77%	0.772	S	S	*	*			trans	89.5	131.5	132.8	-119	73.7	0	0	0	122.8
688	V	29.3	Very low	30.6	Very low	112 Å²	112	134.1 Å²	134.1	68%	0.679	76%	0.764	S	S	*	*			trans	79.2	105.5	151.5	-169.9	0	0	0	0	121.3
689	Y	30.7	Very low	30.8	Very low	220 Å²	220	135.6 Å²	135.6	86%	0.863	76%	0.764	S	S	*	*			trans	49.1	146.8	141	-75.5	-116.5	0	0	0	122.2
690	G	33.3	Very low	31	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	77%	0.767	S	S	*	*			trans	159.1	71.7	162.2	0	0	0	0	0	116.4
691	D	32	Very low	31.1	Very low	141 Å²	141	139 Å²	139	75%	0.754	77%	0.769	S	S	*	*			trans	-60.9	162.6	169.6	-31.3	-54.7	0	0	0	111.2
692	D	32.9	Very low	31	Very low	135 Å²	135	132.6 Å²	132.6	72%	0.722	76%	0.76	S	S	*	*			cis	-168	176	8.8	-144.7	-17.6	0	0	0	113.2
693	I	34.5	Very low	31.2	Very low	131 Å²	131	134.9 Å²	134.9	67%	0.672	76%	0.764	S	S	*	*			trans	69.7	133.3	144.7	-76.9	157.6	0	0	0	123.9
694	S	33.1	Very low	31	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	76%	0.762	S	S	*	*			trans	59.3	124.2	159.7	60.3	0	0	0	0	119.9
695	N	30.6	Very low	31.2	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	78%	0.776	S	S	*	*				64.1	113.5	62.7	-72.6	-1.5	0	0	0	114.9
696	D	36.6	Very low	31.1	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	76%	0.764	S	S	*	*				-167.5	165.9	103.1	-98.6	-20.9	0	0	0	112.4
697	N	32.2	Very low	31.3	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	77%	0.766	S	S	*	*			trans	-97.9	151.4	177.9	-56.4	-81.8	0	0	0	110.3
698	D	35.1	Very low	31.5	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	76%	0.755	S	S	*	*				177.4	145.5	101.7	-110.5	-30.2	0	0	0	117.3
699	S	31	Very low	31.8	Very low	98 Å²	98	141 Å²	141	69%	0.685	76%	0.759	S	S	*	*			trans	56.7	135	144.9	82.3	0	0	0	0	124
700	M	29.2	Very low	31.9	Very low	167 Å²	167	136.2 Å²	136.2	82%	0.823	75%	0.752	S	S	*	*			trans	27.1	121.8	142.2	-61.9	-179.3	62.9	0	0	121.3
701	T	34.7	Very low	32	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	76%	0.758	S	S	*	*				-173.1	163.9	95.6	25.8	0	0	0	0	112.2
702	S	25.5	Very low	31.9	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	75%	0.752	S	S	*	*			trans	-92.5	136.3	179.7	60.4	0	0	0	0	113
703	F	30.7	Very low	31.9	Very low	212 Å²	212	141.7 Å²	141.7	93%	0.93	76%	0.762	S	S	*	*			trans	-141.8	161.9	151.2	-87.3	-67.1	0	0	0	112.8
704	K	26	Very low	31.8	Very low	189 Å²	189	142.9 Å²	142.9	82%	0.822	76%	0.763	S	S	*	*			trans	-104	177.1	-174.2	-69.8	176.9	176.4	173.4	0	111.2
705	T	31.1	Very low	31.8	Very low	132 Å²	132	144.8 Å²	144.8	81%	0.81	77%	0.765	S	S	*	*			trans	83.6	152.9	161.8	76.6	0	0	0	0	116.5
706	S	28.2	Very low	31.8	Very low	86 Å²	86	142.9 Å²	142.9	60%	0.601	76%	0.759	S	S	*	*			cis	-172.5	169.6	-28	-90.3	0	0	0	0	108.6
707	H	31.3	Very low	31.8	Very low	167 Å²	167	143.7 Å²	143.7	77%	0.773	76%	0.76	S	S	*	*			trans	72.6	155	162.1	-63.8	-63.4	0	0	0	116
708	N	34.7	Very low	31.8	Very low	109 Å²	109	140.8 Å²	140.8	58%	0.583	76%	0.756	S	S	*	*			cis	-159	150.7	7.3	-128.8	-15.3	0	0	0	112.6
709	K	35.4	Very low	31.7	Very low	173 Å²	173	139.9 Å²	139.9	75%	0.752	76%	0.758	S	S	*	*			trans	60	152.4	139.5	-78	170.6	-171.9	-179	0	120.6
710	V	32.8	Very low	31.6	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	76%	0.764	S	S	*	*			cis	-143.9	158.9	-19.9	-136.7	0	0	0	0	105.7
711	L	35	Very low	31.8	Very low	164 Å²	164	140 Å²	140	86%	0.859	76%	0.764	S	S	*	*				-170.8	162.4	72.9	-119	173.3	0	0	0	110.2
712	N	28.6	Very low	31.8	Very low	118 Å²	118	139.3 Å²	139.3	63%	0.631	76%	0.762	S	S	*	*			trans	-116.3	157.2	-179.2	-84.8	-93.2	0	0	0	112
713	L	33	Very low	32.2	Very low	180 Å²	180	140.4 Å²	140.4	94%	0.942	77%	0.769	S	S	*	*				-142.1	160.3	126.9	-142.4	67.1	0	0	0	110.6
714	K	32.7	Very low	32	Very low	157 Å²	157	136.8 Å²	136.8	68%	0.683	76%	0.76	S	S	*	*			trans	-129.7	154.2	-158.7	-57.7	172.9	-179.9	174.7	0	112.8
715	N	33.3	Very low	32.3	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	76%	0.762	S	S	*	*				178.9	118.2	112.5	-86.5	-10.9	0	0	0	109.3
716	T	31.3	Very low	32.3	Very low	106 Å²	106	140.5 Å²	140.5	65%	0.65	77%	0.767	S	S	*	*				57.5	135.1	89.5	43.7	0	0	0	0	114.8
717	M	35.5	Very low	32.3	Very low	174 Å²	174	146.1 Å²	146.1	86%	0.857	78%	0.781	S	S	*	*			cis	-130.2	163.3	19.9	-76.1	-66.1	-177.7	0	0	114.9
718	A	32.6	Very low	32.3	Very low	83 Å²	83	143 Å²	143	69%	0.686	78%	0.777	S	S	*	*			trans	-131.8	173.1	158.6	0	0	0	0	0	108.6
719	P	34.1	Very low	32	Very low	130 Å²	130	149.1 Å²	149.1	84%	0.844	79%	0.792	S	S	*	*				-144.3	166.3	102.9	38.3	-24.7	0	0	0	115.2
720	V	28.6	Very low	31.7	Very low	133 Å²	133	149.7 Å²	149.7	81%	0.806	80%	0.797	S	S	*	*			trans	-122.5	136.5	174.7	173.8	0	0	0	0	109.1
721	T	33.5	Very low	31.4	Very low	136 Å²	136	147.1 Å²	147.1	83%	0.834	80%	0.796	S	S	*	*			trans	-160.2	155.9	151.9	14.2	0	0	0	0	111.2
722	P	34.4	Very low	31.2	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	79%	0.794	S	S	*	*			trans	-113	166.8	-161.3	41.5	-35	0	0	0	115.6
723	S	32.7	Very low	31.1	Very low	124 Å²	124	148.4 Å²	148.4	87%	0.867	80%	0.802	S	S	*	*			trans	-175.6	-179.7	139.6	48.7	0	0	0	0	112.1
724	N	27.8	Very low	30.9	Very low	137 Å²	137	144.8 Å²	144.8	73%	0.733	79%	0.792	S	S	*	*			trans	-96.1	164.3	-165.6	-68.8	-57.1	0	0	0	115.1
725	H	32	Very low	30.6	Very low	185 Å²	185	145.1 Å²	145.1	86%	0.856	80%	0.801	S	S	*	*			trans	71.7	130.7	169.9	-41.1	-76.9	0	0	0	114.6
726	K	31.1	Very low	30.4	Very low	213 Å²	213	144.3 Å²	144.3	93%	0.926	80%	0.801	S	S	*	*				-174.4	164.7	56.3	-163	168.9	-177.7	176.8	0	110
727	K	28.1	Very low	30.1	Very low	205 Å²	205	148.2 Å²	148.2	89%	0.891	81%	0.812	S	S	*	*			trans	-71.1	133.8	-169.4	-60.7	171.8	177	177.2	0	115.9
728	S	31.8	Very low	29.8	Very low	100 Å²	100	146.9 Å²	146.9	70%	0.699	81%	0.808	S	S	*	*			trans	-169.9	123	147.2	-175.6	0	0	0	0	106.9
729	R	26.9	Very low	29.6	Very low	238 Å²	238	147.7 Å²	147.7	90%	0.898	80%	0.804	S	S	*	*			cis	91.9	52.8	22.9	-147.2	-161.9	-173.6	-164.5	1.2	117.4
730	H	30.9	Very low	29.3	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.856	80%	0.803	S	S	*	*			trans	-139.4	135.3	147.5	-61.9	92.1	0	0	0	108.5
731	G	25.9	Very low	29.5	Very low	67 Å²	67	145.9 Å²	145.9	69%	0.691	80%	0.797	S	S	*	*			cis	132.9	58.4	-24.4	0	0	0	0	0	117.3
732	H	31.1	Very low	29.3	Very low	178 Å²	178	145.7 Å²	145.7	82%	0.824	79%	0.786	S	S	*	*			trans	-151.5	141.3	165.2	-97.5	-81.7	0	0	0	112.3
733	T	25.5	Very low	29.2	Very low	131 Å²	131	144.7 Å²	144.7	80%	0.804	78%	0.782	S	S	*	*			trans	32.1	142.1	150	56.2	0	0	0	0	121.3
734	S	29.8	Very low	29.1	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	77%	0.765	S	S	*	*			cis	-140.5	165.5	23.3	51.3	0	0	0	0	113.8
735	N	24.9	Very low	29.4	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	75%	0.747	S	S	*	*			trans	-89.3	135.8	170	-65.7	-13.6	0	0	0	110.1
736	T	31.1	Very low	29.5	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	74%	0.736	S	S	*	*			trans	-127.5	119.4	163.9	-53.1	0	0	0	0	107.8	L738	T736-L738 PolarHBondContact O-N 3.18Å
737	E	24.5	Very low	29.6	Very low	189 Å²	189	130.9 Å²	130.9	88%	0.883	72%	0.721	S	S	*	*			trans	-78.4	104.3	-177.3	-64.3	-178.7	134.2	0	0	110.7
738	L	29.1	Very low	29.9	Very low	145 Å²	145	126 Å²	126	76%	0.759	70%	0.704	S	S	*	*			trans	-79.4	124.6	168.9	-72.9	170.2	0	0	0	109.6	T736	T736-L738 PolarHBondContact O-N 3.18Å
739	T	28.4	Very low	30.1	Very low	101 Å²	101	123.6 Å²	123.6	62%	0.62	69%	0.685	S	S	*	*			trans	-72	143.4	-177.6	62.1	0	0	0	0	111.5	C741	T739-C741 PolarHBondContact O-N 3.14Å
740	P	27.9	Very low	30.4	Very low	127 Å²	127	120 Å²	120	83%	0.825	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	8	-168.7	-23.2	35.4	0	0	0	117.3
741	C	32.1	Very low	30.4	Very low	98 Å²	98	116 Å²	116	66%	0.662	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-31.7	-167.7	-152.7	0	0	0	0	113.8	T739 S743	T739-C741 PolarHBondContact O-N 3.14Å; C741-S743 PolarHBondContact O-N 3.5Å
742	E	30.3	Very low	30.8	Very low	132 Å²	132	114.9 Å²	114.9	62%	0.617	65%	0.648	S	S	*	*	H	α-helix	trans	-73.3	-23.2	-169.1	-61.5	-179.8	151.4	0	0	113.8	S745	E742-S745 PolarHBondContact O-OG 3.02Å
743	S	31.7	Very low	30.6	Very low	96 Å²	96	111.2 Å²	111.2	67%	0.671	64%	0.64	S	S	*	*	H	α-helix	trans	-82.9	-14.4	-177.4	-64.3	0	0	0	0	114.6	C741	C741-S743 PolarHBondContact O-N 3.5Å
744	A	31	Very low	30.9	Very low	62 Å²	62	110.5 Å²	110.5	51%	0.512	64%	0.64	S	S	.	*	H	α-helix	trans	-85.5	-32.6	-176	0	0	0	0	0	113.4	H746 I747	A744-H746 PolarHBondContact O-N 3.36Å; A744-I747 PolarHBondContact O-N 3.46Å
745	S	32.7	Very low	30.8	Very low	49 Å²	49	109.3 Å²	109.3	34%	0.343	63%	0.632	S	S	.	*	H	α-helix	trans	-64.9	-38.1	-176.5	52.5	0	0	0	0	112.9	E742 I747	E742-S745 PolarHBondContact O-OG 3.02Å; S745-I747 VanDerWaalsContact C-N 3.29Å; S745-I747 PolarHBondContact O-N 2.94Å
746	H	34	Very low	31	Very low	135 Å²	135	110.3 Å²	110.3	63%	0.625	63%	0.625	S	S	*	*	H	α-helix	trans	-70.5	-18.8	-176.2	-75.1	-95.7	0	0	0	114.5	A744	A744-H746 PolarHBondContact O-N 3.36Å
747	I	34.8	Very low	30.8	Very low	122 Å²	122	111.6 Å²	111.6	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-82.6	-31.7	-175.4	-62.1	175.9	0	0	0	111.6	A744 S745	A744-I747 PolarHBondContact O-N 3.46Å; S745-I747 VanDerWaalsContact C-N 3.29Å; S745-I747 PolarHBondContact O-N 2.94Å
748	L	32.8	Very low	30.9	Very low	103 Å²	103	110.9 Å²	110.9	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-80	-16.6	-175.6	-65.8	174.7	0	0	0	114.2	H750 C751	L748-H750 PolarHBondContact O-N 2.88Å; L748-H750 VanDerWaalsContact O-N 3.14Å; L748-C751 PolarHBondContact O-N 3.41Å; L748-C751 PolarHBondContact O-SG 3Å; L748-C751 VanDerWaalsContact O-SG 3.36Å
749	T	36.2	Very low	31	Very low	49 Å²	49	110.3 Å²	110.3	30%	0.301	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-67.2	-11.8	178.4	-42.5	0	0	0	0	113.1	C751	T749-C751 PolarHBondContact O-N 3.49Å; T749-C751 VanDerWaalsContact O-N 3.13Å
750	H	33.2	Very low	31.1	Very low	164 Å²	164	111.3 Å²	111.3	76%	0.759	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-67.3	-2.5	173.4	-80.1	-72.4	0	0	0	115	L748 L752	L748-H750 PolarHBondContact O-N 2.88Å; L748-H750 VanDerWaalsContact O-N 3.14Å; H750-L752 PolarHBondContact O-N 3.29Å
751	C	31.8	Very low	31.2	Very low	101 Å²	101	111.1 Å²	111.1	68%	0.682	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-71.1	-6.1	173.7	-66.4	0	0	0	0	114.7	L748 T749	L748-C751 PolarHBondContact O-N 3.41Å; L748-C751 PolarHBondContact O-SG 3Å; L748-C751 VanDerWaalsContact O-SG 3.36Å; T749-C751 PolarHBondContact O-N 3.49Å; T749-C751 VanDerWaalsContact O-N 3.13Å
752	L	33.8	Very low	31.1	Very low	43 Å²	43	114.8 Å²	114.8	23%	0.225	63%	0.629	C	S	.	*	S	Bend	trans	-87.7	125.3	170.6	-67.6	174.1	0	0	0	110.4	L510 H750 S754	L510-L752 HydrophobicContact CD1-CD1 4.49Å; H750-L752 PolarHBondContact O-N 3.29Å; L752-S754 VanDerWaalsContact C-N 3.28Å; L752-S754 PolarHBondContact O-N 3.36Å
753	P	27.9	Very low	31.3	Very low	100 Å²	100	114.2 Å²	114.2	65%	0.649	64%	0.64	S	S	*	*			trans	-76.4	71.9	-174.6	31.8	-36.5	0	0	0	112.7	S755	P753-S755 PolarHBondContact O-N 3.07Å
754	S	31.4	Very low	31.1	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	65%	0.65	S	S	*	*	S	Bend	trans	-74	-6.3	172.7	-165.7	0	0	0	0	112.9	L752	L752-S754 VanDerWaalsContact C-N 3.28Å; L752-S754 PolarHBondContact O-N 3.36Å
755	S	27	Very low	31.2	Very low	78 Å²	78	122.9 Å²	122.9	55%	0.545	67%	0.666	S	S	.	*	S	Bend	trans	-157.4	175.6	166.2	56.6	0	0	0	0	109.8	P753	P753-S755 PolarHBondContact O-N 3.07Å
756	Y	28.5	Very low	31.1	Very low	186 Å²	186	130.3 Å²	130.3	73%	0.729	69%	0.688	S	S	*	*			trans	79.6	52.7	179.6	-55	-76.6	0	0	0	118.6	K758	Y756-K758 HydrophobicContact CD1-CD 4.27Å; Y756-K758 HydrophobicContact CD1-CG 4.3Å
757	F	28.2	Very low	31.1	Very low	147 Å²	147	130.9 Å²	130.9	65%	0.645	70%	0.695	S	S	*	*			trans	-85.8	91	131.3	-81.1	-76.8	0	0	0	108.8	Q475 I779	Q475-F757 HydrophobicContact CG-CE1 4.31Å; Q475-F757 HydrophobicContact CG-CZ 3.81Å; F757-I779 HydrophobicContact CD2-CD1 4.35Å
758	K	26.9	Very low	31	Very low	175 Å²	175	131.7 Å²	131.7	76%	0.761	70%	0.699	S	S	*	*			trans	-93.7	97.1	162.5	-86.2	-173.5	174.8	-178.8	0	107.9	Y756	Y756-K758 HydrophobicContact CD1-CD 4.27Å; Y756-K758 HydrophobicContact CD1-CG 4.3Å
759	T	31.2	Very low	30.7	Very low	132 Å²	132	133 Å²	133	81%	0.81	71%	0.707	S	S	*	*			trans	-64.3	151.3	166.2	42	0	0	0	0	110.4
760	T	30.6	Very low	30.4	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	74%	0.735	S	S	*	*			trans	-75.1	141.9	-170.5	37.1	0	0	0	0	112.7	H762	T760-H762 PolarHBondContact O-N 2.95Å
761	P	29.1	Very low	30	Very low	122 Å²	122	135.3 Å²	135.3	79%	0.792	73%	0.733	S	S	*	*			trans	-89.3	88.8	-172.5	34.5	-34.9	0	0	0	113
762	H	30.2	Very low	29.8	Very low	175 Å²	175	137.3 Å²	137.3	81%	0.81	74%	0.737	S	S	*	*			trans	-137.5	72.7	176.3	-79.6	-68.3	0	0	0	115.2	T760	T760-H762 PolarHBondContact O-N 2.95Å
763	S	33.5	Very low	29.4	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	77%	0.771	S	S	*	*			trans	-171.3	157.8	133.1	59.3	0	0	0	0	110.4
764	K	27.5	Very low	29.6	Very low	201 Å²	201	144.3 Å²	144.3	87%	0.874	77%	0.773	S	S	*	*			trans	-118.5	124.4	172.7	-61.2	175.5	-176.7	175.4	0	108.9
765	T	34.2	Very low	29.5	Very low	139 Å²	139	141.9 Å²	141.9	85%	0.853	77%	0.766	S	S	*	*			trans	-147.4	153.3	153.9	-56.3	0	0	0	0	107.8
766	Y	30.6	Very low	29.7	Very low	205 Å²	205	149.6 Å²	149.6	80%	0.804	78%	0.783	S	S	*	*			trans	-92.6	146.9	179.5	-80.1	-115	0	0	0	111.5
767	D	33	Very low	30.4	Very low	147 Å²	147	148 Å²	148	79%	0.786	79%	0.788	S	S	*	*			trans	171.6	109.8	140.6	-84.3	-24	0	0	0	105.8
768	I	34.1	Very low	31.8	Very low	138 Å²	138	150.3 Å²	150.3	71%	0.708	80%	0.797	S	S	*	*				68.7	95.6	72.6	-59.5	177.4	0	0	0	112
769	D	26.9	Very low	33.4	Very low	131 Å²	131	146.3 Å²	146.3	70%	0.701	78%	0.783	S	S	*	*			trans	31	111.5	151.7	-55.8	-26.3	0	0	0	120.2
770	H	28.7	Very low	35.5	Very low	192 Å²	192	141.2 Å²	141.2	89%	0.889	75%	0.754	S	S	*	*				-179.8	138.2	99.8	-83.2	-49.5	0	0	0	112.9
771	G	24.8	Very low	38.1	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	74%	0.737	S	S	*	*			trans	50.5	92.4	151.3	0	0	0	0	0	121.2
772	N	27.8	Very low	41.1	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	70%	0.702	S	S	*	*			trans	-167.9	120.6	132.1	-108.8	-47.6	0	0	0	113.1	T774	N772-T774 VanDerWaalsContact C-N 3.29Å; N772-T774 PolarHBondContact O-N 2.89Å
773	N	25.4	Very low	44	Very low	177 Å²	177	127.2 Å²	127.2	95%	0.947	69%	0.686	S	S	*	*			trans	-91.6	55.7	169.4	-85	-27.4	0	0	0	110.7	G775	N773-G775 PolarHBondContact O-N 2.86Å
774	T	32.7	Very low	46.9	Very low	113 Å²	113	124.1 Å²	124.1	69%	0.693	66%	0.66	S	S	*	*			trans	-71.8	107.2	167.9	41.2	0	0	0	0	108.7	N772 R776	N772-T774 VanDerWaalsContact C-N 3.29Å; N772-T774 PolarHBondContact O-N 2.89Å; T774-R776 PolarHBondContact O-N 2.84Å
775	G	29.7	Very low	49.9	Very low	64 Å²	64	115.4 Å²	115.4	66%	0.66	62%	0.623	S	S	*	*			trans	-60.2	127.1	179.3	0	0	0	0	0	110.4	N773 D777	N773-G775 PolarHBondContact O-N 2.86Å; G775-D777 PolarHBondContact O-N 2.79Å; G775-D777 VanDerWaalsContact O-N 3.11Å
776	R	30.9	Very low	52.7	Low	240 Å²	240	109.1 Å²	109.1	91%	0.906	58%	0.584	S	S	*	*			trans	-61.1	115.8	172.5	-70.9	-179.8	179.4	157.1	0.4	108.9	T774 K778	T774-R776 PolarHBondContact O-N 2.84Å; R776-K778 PolarHBondContact O-N 2.75Å
777	D	43	Very low	55.6	Low	154 Å²	154	101.7 Å²	101.7	82%	0.824	56%	0.561	S	S	*	*			trans	-54.3	122.5	177.2	-68.8	-59.4	0	0	0	110.4	G775 I779	G775-D777 PolarHBondContact O-N 2.79Å; G775-D777 VanDerWaalsContact O-N 3.11Å; D777-I779 PolarHBondContact O-N 2.84Å; D777-I779 VanDerWaalsContact O-N 3.15Å
778	K	56.3	Low	58.2	Low	194 Å²	194	95.7 Å²	95.7	84%	0.843	53%	0.529	S	S	*	.			trans	-74	107.8	175.1	-66.9	173.1	-175	166.3	0	106.8	R776 A780	R776-K778 PolarHBondContact O-N 2.75Å; K778-A780 PolarHBondContact O-N 3.31Å; K778-A780 VanDerWaalsContact O-N 3.1Å
779	I	61.9	Low	60.7	Low	91 Å²	91	93.3 Å²	93.3	47%	0.467	52%	0.515	S	S	.	.			trans	-46.7	120	-179.7	-58.8	171.8	0	0	0	109.2	V478 F757 D777 A781	V478-I779 HydrophobicContact CG1-CD1 4.24Å; V478-I779 HydrophobicContact CG2-CD1 4.37Å; V478-I779 HydrophobicContact CG2-CG2 4.1Å; F757-I779 HydrophobicContact CD2-CD1 4.35Å; D777-I779 PolarHBondContact O-N 2.84Å; D777-I779 VanDerWaalsContact O-N 3.15Å; I779-A781 PolarHBondContact O-N 3.09Å
780	A	74.5	Confident	63.3	Low	25 Å²	25	87.3 Å²	87.3	21%	0.207	48%	0.483	C	S	.	.			trans	-60.9	121.8	-178	0	0	0	0	0	110.1	H502 M664 R665 T666 K778	H502-A780 PolarHBondContact NE2-O 3.04Å; M664-A780 HydrophobicContact CG-CB 4.14Å; M664-A780 HydrophobicContact SD-CB 4.09Å; M664-A780 VanDerWaalsContact SD-O 3.36Å; R665-A780 VanDerWaalsContact O-CB 3.27Å; R665-A780 WeakPolarHBondContact O-CB 3.41Å; T666-A780 HydrophobicContact CG2-CB 4.02Å; K778-A780 PolarHBondContact O-N 3.31Å; K778-A780 VanDerWaalsContact O-N 3.1Å
781	A	85.4	Confident	65.4	Low	48 Å²	48	84.3 Å²	84.3	40%	0.397	46%	0.464	S	S	.	.			trans	-142.1	153.6	179.5	0	0	0	0	0	110.8	M664 I779 S783	M664-A781 VanDerWaalsContact SD-CA 3.58Å; I779-A781 PolarHBondContact O-N 3.09Å; A781-S783 PolarHBondContact O-N 3.39Å
782	F	91.8	Very high	67.3	Low	9 Å²	9	82.1 Å²	82.1	4%	0.039	43%	0.434	C	S	.	.			trans	-66.2	125.7	175.7	-75.6	-86.2	0	0	0	111.3	R507 L510 H602 I604 L620 M664	R507-F782 HydrophobicContact CB-CE2 3.96Å; R507-F782 HydrophobicContact CB-CZ 4.28Å; L510-F782 HydrophobicContact CD2-CB 3.87Å; L510-F782 HydrophobicContact CD2-CD1 4.24Å; L510-F782 HydrophobicContact CD2-CD2 4.45Å; L510-F782 HydrophobicContact CD2-CG 3.93Å; H602-F782 HydrophobicContact CB-CE1 4.33Å; H602-F782 HydrophobicContact CB-CZ 4.33Å; H602-F782 WeakPolarHBondContact O-CE1 3.45Å; I604-F782 HydrophobicContact CG2-CD1 4.05Å; I604-F782 HydrophobicContact CG2-CE1 3.9Å; L620-F782 HydrophobicContact CD1-CE1 3.85Å; L620-F782 HydrophobicContact CD1-CZ 3.72Å; M664-F782 HydrophobicContact CB-CD1 3.71Å; M664-F782 HydrophobicContact CB-CD2 4.02Å; M664-F782 HydrophobicContact CB-CE1 3.75Å; M664-F782 HydrophobicContact CB-CE2 4.05Å; M664-F782 HydrophobicContact CB-CG 3.84Å; M664-F782 HydrophobicContact CB-CZ 3.92Å; M664-F782 HydrophobicContact CE-CE2 4.26Å; M664-F782 HydrophobicContact SD-CD2 4.11Å; M664-F782 HydrophobicContact SD-CE2 4.09Å
783	S	91.6	Very high	68.8	Low	69 Å²	69	81.4 Å²	81.4	48%	0.483	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140	174	-60.2	0	0	0	0	110.1	Y662 C663 A781 L785	Y662-S783 WeakPolarHBondContact CA-O 3.29Å; C663-S783 PolarHBondContact N-O 2.94Å; C663-S783 PolarHBondContact O-N 3.43Å; A781-S783 PolarHBondContact O-N 3.39Å; S783-L785 PolarHBondContact O-N 3.4Å
784	L	94.1	Very high	70.2	Confident	57 Å²	57	74.6 Å²	74.6	30%	0.298	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.1	171.5	-179.3	64.8	0	0	0	109.2	E660 Y662 S786	E660-L784 HydrophobicContact CB-CD1 3.78Å; E660-L784 HydrophobicContact CG-CD1 4.13Å; Y662-L784 HydrophobicContact CD1-CB 4.13Å; Y662-L784 HydrophobicContact CD1-CD1 4.43Å; Y662-L784 HydrophobicContact CD2-CD1 4.43Å; Y662-L784 HydrophobicContact CE1-CB 3.74Å; Y662-L784 HydrophobicContact CE1-CD1 4.01Å; Y662-L784 HydrophobicContact CE1-CG 4.45Å; Y662-L784 HydrophobicContact CE2-CD1 4.02Å; L784-S786 WeakPolarHBondContact CD1-O 3.23Å
785	L	91.3	Very high	71.3	Confident	18 Å²	18	72 Å²	72	9%	0.094	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-43.1	175.8	-68.8	-177.2	0	0	0	112.4	L603 I661 C663 S783 L839 P840 T843 L845	L603-L785 HydrophobicContact CD2-CD1 4.08Å; I661-L785 HydrophobicContact CG2-CD1 4.32Å; I661-L785 WeakPolarHBondContact O-CB 3.33Å; I661-L785 PolarHBondContact O-N 3.11Å; C663-L785 HydrophobicContact CB-CD1 3.52Å; C663-L785 HydrophobicContact CB-CD2 3.97Å; C663-L785 HydrophobicContact CB-CG 3.67Å; S783-L785 PolarHBondContact O-N 3.4Å; L785-L839 HydrophobicContact CB-CD2 3.87Å; L785-P840 HydrophobicContact CD2-CG 4.24Å; L785-T843 WeakPolarHBondContact CD1-OG1 3.31Å; L785-L845 HydrophobicContact CD1-CD1 3.78Å; L785-L845 HydrophobicContact CD1-CG 4.32Å
786	S	91.5	Very high	72.6	Confident	7 Å²	7	69 Å²	69	5%	0.049	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	159.1	-177.3	-166.2	0	0	0	0	110.7	I661 L784 L836 L837	I661-S786 PolarHBondContact N-O 2.97Å; L784-S786 WeakPolarHBondContact CD1-O 3.23Å; S786-L836 WeakPolarHBondContact OG-CA 3.37Å; S786-L837 WeakPolarHBondContact CB-O 3.4Å; S786-L837 PolarHBondContact OG-N 3.23Å; S786-L837 PolarHBondContact OG-O 3.42Å
787	T	92	Very high	73.5	Confident	49 Å²	49	58.3 Å²	58.3	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142	173.7	179.9	0	0	0	0	110	Q658 L659	Q658-T787 WeakPolarHBondContact CG-OG1 3.28Å; Q658-T787 PolarHBondContact NE2-OG1 3.01Å; L659-T787 CarbonylContact O-C 3.59Å; L659-T787 VanDerWaalsContact O-CA 3.27Å; L659-T787 WeakPolarHBondContact O-CA 3.22Å; L659-T787 PolarHBondContact O-OG1 3Å
788	V	87.4	Confident	73.6	Confident	21 Å²	21	54.5 Å²	54.5	13%	0.127	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.5	178.3	-179.1	0	0	0	0	108.3	L659 I790 L834 L835 L836	L659-V788 PolarHBondContact N-O 2.92Å; L659-V788 PolarHBondContact O-N 2.91Å; V788-I790 HydrophobicContact CG1-CG1 4.34Å; V788-L834 HydrophobicContact CG1-CD2 4.34Å; V788-L835 WeakPolarHBondContact CG2-O 3.3Å; V788-L836 HydrophobicContact CG2-CD2 3.96Å
789	E	86.8	Confident	72.8	Confident	87 Å²	87	47.1 Å²	47.1	41%	0.407	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.8	168.8	-67	-167.9	-170.2	0	0	110.1	R610 V656 Q658	R610-E789 IonicContact CZ-OE1 3.7Å; R610-E789 IonicContact NH1-OE1 2.74Å; R610-E789 PolarHBondContact NH1-OE1 3.38Å; R610-E789 IonicContact NH1-OE2 3.56Å; R610-E789 IonicContact NH2-OE1 3.54Å; R610-E789 PolarHBondContact NH2-OE1 3.42Å; V656-E789 HydrophobicContact CG1-CB 4.41Å; Q658-E789 HydrophobicContact CG-CG 4.43Å
790	I	80.8	Confident	71.9	Confident	6 Å²	6	45 Å²	45	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.8	-177.5	-62.5	170.3	0	0	0	106.5	V656 F657 L659 V788 D794 L796 L834 L851	V656-I790 WeakPolarHBondContact CA-O 3.11Å; F657-I790 HydrophobicContact CB-CB 4.33Å; F657-I790 PolarHBondContact N-O 2.8Å; F657-I790 WeakPolarHBondContact O-CB 3.34Å; F657-I790 PolarHBondContact O-N 3.23Å; L659-I790 HydrophobicContact CB-CD1 3.88Å; L659-I790 HydrophobicContact CD2-CD1 4.19Å; V788-I790 HydrophobicContact CG1-CG1 4.34Å; I790-D794 WeakPolarHBondContact CA-OD2 3.41Å; I790-L796 HydrophobicContact CG2-CD1 3.28Å; I790-L834 HydrophobicContact CD1-CD1 3.93Å; I790-L834 HydrophobicContact CG1-CD1 4.36Å; I790-L851 HydrophobicContact CD1-CD1 4.32Å
791	R	73.9	Confident	70.3	Confident	129 Å²	129	45.7 Å²	45.7	49%	0.487	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	165.3	-168.3	-61.5	178.3	-66	-162.6	-1	111.1	V656 Q793 D794	V656-R791 HydrophobicContact CG1-CG 4.26Å; V656-R791 HydrophobicContact CG2-CG 4.26Å; R791-Q793 PolarHBondContact O-N 2.82Å; R791-D794 PolarHBondContact N-OD2 2.99Å; R791-D794 PolarHBondContact O-N 2.98Å; R791-D794 VanDerWaalsContact O-N 3.17Å
792	Y	64	Low	68	Low	22 Å²	22	49.1 Å²	49.1	9%	0.086	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-39.3	169.1	173.5	-77.9	0	0	0	113.9	P653 F655 D794 L797 W1033 M1034 H1037	P653-Y792 WeakPolarHBondContact O-CD2 3.45Å; F655-Y792 HydrophobicContact CD1-CD2 4.33Å; F655-Y792 HydrophobicContact CE1-CD2 4.06Å; F655-Y792 HydrophobicContact CE1-CG 4.5Å; F655-Y792 PolarHBondContact O-N 3.09Å; F655-Y792 VanDerWaalsContact O-N 3.15Å; Y792-D794 VanDerWaalsContact C-N 3.34Å; Y792-D794 PolarHBondContact O-N 2.81Å; Y792-L797 HydrophobicContact CD1-CD1 4.32Å; Y792-L797 HydrophobicContact CD2-CD1 3.64Å; Y792-L797 HydrophobicContact CE1-CD1 3.98Å; Y792-L797 HydrophobicContact CE2-CD1 3.3Å; Y792-L797 HydrophobicContact CE2-CD2 4.12Å; Y792-L797 HydrophobicContact CE2-CG 4.35Å; Y792-L797 HydrophobicContact CG-CD1 4.09Å; Y792-L797 VanDerWaalsContact CZ-CD1 3.41Å; Y792-L797 WeakPolarHBondContact O-CD1 3.49Å; Y792-W1033 HydrophobicContact CD2-CZ3 4.43Å; Y792-W1033 HydrophobicContact CE2-CE3 4.37Å; Y792-W1033 HydrophobicContact CE2-CH2 4.34Å; Y792-W1033 AromaticContact CE2-CZ3 3.77Å; Y792-W1033 HydrophobicContact CE2-CZ3 3.77Å; Y792-M1034 HydrophobicContact CD2-CB 4.5Å; Y792-M1034 HydrophobicContact CE1-CB 4.14Å; Y792-M1034 HydrophobicContact CE2-CB 3.46Å; Y792-M1034 VanDerWaalsContact CE2-CB 3.46Å; Y792-M1034 HydrophobicContact CE2-CE 4.38Å; Y792-M1034 WeakPolarHBondContact OH-CB 3.11Å; Y792-M1034 VanDerWaalsContact OH-CE 3.29Å; Y792-M1034 WeakPolarHBondContact OH-CE 3.38Å; Y792-M1034 PolarHBondContact OH-SD 3.48Å; Y792-M1034 VanDerWaalsContact OH-SD 3.33Å; Y792-H1037 HydrophobicContact CE1-CB 3.91Å
793	Q	59.4	Low	65.1	Low	129 Å²	129	52.1 Å²	52.1	60%	0.603	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.9	-169.6	-63.2	178.6	5.2	0	0	114.4	R791 D795	R791-Q793 PolarHBondContact O-N 2.82Å; Q793-D795 PolarHBondContact O-N 2.86Å
794	D	54.4	Low	62.3	Low	35 Å²	35	53.4 Å²	53.4	19%	0.187	29%	0.29	C	S	.	.	S	Bend	trans	-88.2	45.9	-167.9	-49.4	-20.6	0	0	0	111.8	I790 R791 Y792 L796	I790-D794 WeakPolarHBondContact CA-OD2 3.41Å; R791-D794 PolarHBondContact N-OD2 2.99Å; R791-D794 PolarHBondContact O-N 2.98Å; R791-D794 VanDerWaalsContact O-N 3.17Å; Y792-D794 VanDerWaalsContact C-N 3.34Å; Y792-D794 PolarHBondContact O-N 2.81Å; D794-L796 PolarHBondContact O-N 3.2Å
795	D	57.6	Low	59.5	Low	57 Å²	57	58.6 Å²	58.6	31%	0.305	31%	0.314	S	S	.	.	S	Bend	trans	54.4	-4.5	178.5	-55.6	-54.6	0	0	0	119.1	Q793 L797 V798 G799 C800 Y802	Q793-D795 PolarHBondContact O-N 2.86Å; D795-L797 PolarHBondContact O-N 2.72Å; D795-V798 WeakPolarHBondContact O-CA 3.49Å; D795-V798 WeakPolarHBondContact O-CB 3.08Å; D795-V798 PolarHBondContact O-N 3.16Å; D795-G799 PolarHBondContact O-N 3.17Å; D795-C800 CarbonylContact C-O 3.49Å; D795-C800 VanDerWaalsContact CB-O 3.24Å; D795-C800 WeakPolarHBondContact CB-O 3.28Å; D795-C800 VanDerWaalsContact O-O 3.04Å; D795-Y802 HydrophobicContact CB-CD2 4.21Å; D795-Y802 WeakPolarHBondContact OD2-CB 2.96Å; D795-Y802 WeakPolarHBondContact OD2-CD2 3.45Å; D795-Y802 PolarHBondContact OD2-N 3.31Å
796	L	57.1	Low	56.7	Low	3 Å²	3	66.2 Å²	66.2	2%	0.016	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-14.2	-178.1	-74.3	170	0	0	0	116.2	M546 I790 D794 C800 V801 L851 A854 V856	M546-L796 HydrophobicContact CE-CD1 3.98Å; M546-L796 HydrophobicContact CE-CD2 4.24Å; I790-L796 HydrophobicContact CG2-CD1 3.28Å; D794-L796 PolarHBondContact O-N 3.2Å; L796-C800 PolarHBondContact N-O 2.98Å; L796-V801 HydrophobicContact CD2-CG2 3.41Å; L796-V801 VanDerWaalsContact CD2-CG2 3.41Å; L796-V801 HydrophobicContact CG-CG2 3.78Å; L796-L851 HydrophobicContact CD2-CD1 4.24Å; L796-A854 HydrophobicContact CD2-CB 4.13Å; L796-V856 HydrophobicContact CB-CG2 4.31Å; L796-V856 PolarHBondContact O-N 3.33Å; L796-V856 VanDerWaalsContact O-N 3.09Å
797	L	48.8	Very low	53.7	Low	14 Å²	14	72.2 Å²	72.2	7%	0.073	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-14.2	174.8	-65.6	129.8	0	0	0	113.7	F655 Y792 D795 V856 R925 W1033	F655-L797 HydrophobicContact CE1-CD1 4.21Å; F655-L797 HydrophobicContact CZ-CD1 4.49Å; Y792-L797 HydrophobicContact CD1-CD1 4.32Å; Y792-L797 HydrophobicContact CD2-CD1 3.64Å; Y792-L797 HydrophobicContact CE1-CD1 3.98Å; Y792-L797 HydrophobicContact CE2-CD1 3.3Å; Y792-L797 HydrophobicContact CE2-CD2 4.12Å; Y792-L797 HydrophobicContact CE2-CG 4.35Å; Y792-L797 HydrophobicContact CG-CD1 4.09Å; Y792-L797 VanDerWaalsContact CZ-CD1 3.41Å; Y792-L797 WeakPolarHBondContact O-CD1 3.49Å; D795-L797 PolarHBondContact O-N 2.72Å; L797-V856 HydrophobicContact CD2-CB 3.91Å; L797-V856 HydrophobicContact CD2-CG1 3.66Å; L797-V856 HydrophobicContact CG-CB 4.06Å; L797-V856 HydrophobicContact CG-CG1 4.34Å; L797-V856 HydrophobicContact CG-CG2 4.34Å; L797-R925 PolarHBondContact O-NH1 2.98Å; L797-W1033 HydrophobicContact CD2-CH2 3.88Å; L797-W1033 HydrophobicContact CD2-CZ3 3.72Å
798	V	45.5	Very low	50.6	Low	75 Å²	75	79.8 Å²	79.8	46%	0.455	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-37.6	170.3	-150.8	0	0	0	0	109.4	D795 K1080	D795-V798 WeakPolarHBondContact O-CA 3.49Å; D795-V798 WeakPolarHBondContact O-CB 3.08Å; D795-V798 PolarHBondContact O-N 3.16Å; V798-K1080 WeakPolarHBondContact CG1-OXT 3.39Å
799	G	39.9	Very low	47.8	Very low	39 Å²	39	82.7 Å²	82.7	40%	0.402	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	120	-6.4	175.2	0	0	0	0	0	113.8	D795	D795-G799 PolarHBondContact O-N 3.17Å
800	C	41.7	Very low	45	Very low	47 Å²	47	86.7 Å²	86.7	32%	0.318	45%	0.449	S	S	.	.			trans	-101.7	171	168.6	-73	0	0	0	0	110.4	D795 L796 Y802 K1080	D795-C800 CarbonylContact C-O 3.49Å; D795-C800 VanDerWaalsContact CB-O 3.24Å; D795-C800 WeakPolarHBondContact CB-O 3.28Å; D795-C800 VanDerWaalsContact O-O 3.04Å; L796-C800 PolarHBondContact N-O 2.98Å; C800-Y802 HydrophobicContact CB-CD2 4.14Å; C800-Y802 HydrophobicContact CB-CE2 3.76Å; C800-K1080 PolarHBondContact SG-O 3.37Å
801	V	41.8	Very low	42.5	Very low	38 Å²	38	92.8 Å²	92.8	23%	0.23	49%	0.489	C	S	.	.			trans	-133.7	108.7	162.4	180	0	0	0	0	106.3	L796 P833 L834	L796-V801 HydrophobicContact CD2-CG2 3.41Å; L796-V801 VanDerWaalsContact CD2-CG2 3.41Å; L796-V801 HydrophobicContact CG-CG2 3.78Å; V801-P833 HydrophobicContact CB-CB 4.33Å; V801-P833 HydrophobicContact CB-CG 3.62Å; V801-P833 HydrophobicContact CG1-CB 4.02Å; V801-P833 HydrophobicContact CG1-CG 3.64Å; V801-P833 VanDerWaalsContact O-CB 3.23Å; V801-P833 WeakPolarHBondContact O-CB 3.46Å; V801-P833 VanDerWaalsContact O-CG 3.31Å; V801-P833 WeakPolarHBondContact O-CG 3.43Å; V801-L834 HydrophobicContact CG1-CD2 4.34Å
802	Y	35.6	Very low	40.4	Very low	120 Å²	120	92.7 Å²	92.7	47%	0.471	50%	0.503	S	S	.	.			trans	-79.2	148.4	-179.7	-74.1	-103	0	0	0	110.7	D795 C800 S804	D795-Y802 HydrophobicContact CB-CD2 4.21Å; D795-Y802 WeakPolarHBondContact OD2-CB 2.96Å; D795-Y802 WeakPolarHBondContact OD2-CD2 3.45Å; D795-Y802 PolarHBondContact OD2-N 3.31Å; C800-Y802 HydrophobicContact CB-CD2 4.14Å; C800-Y802 HydrophobicContact CB-CE2 3.76Å; Y802-S804 PolarHBondContact O-N 3.19Å
803	P	32.6	Very low	38.9	Very low	73 Å²	73	97.2 Å²	97.2	47%	0.474	54%	0.538	S	S	.	.			trans	-60	122.6	169.2	-20.5	32.8	0	0	0	109.7	M805	P803-M805 PolarHBondContact O-N 3.04Å; P803-M805 VanDerWaalsContact O-N 3.1Å
804	S	31.8	Very low	37.4	Very low	96 Å²	96	96.7 Å²	96.7	67%	0.671	55%	0.549	S	S	*	.			trans	-60.8	114.9	-177.2	-178	0	0	0	0	111.3	Y802 H806	Y802-S804 PolarHBondContact O-N 3.19Å; S804-H806 PolarHBondContact O-N 3.5Å
805	M	34.6	Very low	36.4	Very low	166 Å²	166	101.2 Å²	101.2	82%	0.818	58%	0.577	S	S	*	*			trans	-76	20.1	178	-71.6	-71.1	-71.2	0	0	113.3	P803 D807	P803-M805 PolarHBondContact O-N 3.04Å; P803-M805 VanDerWaalsContact O-N 3.1Å; M805-D807 VanDerWaalsContact C-N 3.32Å; M805-D807 PolarHBondContact O-N 3.26Å; M805-D807 VanDerWaalsContact O-N 3.15Å
806	H	32.5	Very low	35	Very low	177 Å²	177	103.9 Å²	103.9	82%	0.819	60%	0.601	S	S	*	*			trans	-85.6	66.1	176	-90.8	-78.6	0	0	0	112.6	S804	S804-H806 PolarHBondContact O-N 3.5Å
807	D	28.9	Very low	33.4	Very low	133 Å²	133	110.1 Å²	110.1	71%	0.711	64%	0.643	S	S	*	*			trans	-137.9	62.3	150.7	-150.4	-17	0	0	0	111.4	M805 S809	M805-D807 VanDerWaalsContact C-N 3.32Å; M805-D807 PolarHBondContact O-N 3.26Å; M805-D807 VanDerWaalsContact O-N 3.15Å; D807-S809 VanDerWaalsContact C-N 3.26Å; D807-S809 PolarHBondContact O-N 3.07Å; D807-S809 PolarHBondContact OD1-OG 3.18Å
808	K	28.4	Very low	32.4	Very low	208 Å²	208	114.6 Å²	114.6	90%	0.904	68%	0.675	S	S	*	*			trans	-84.9	66.6	170.5	-74.8	-172.1	175.1	-179.2	0	110.3
809	S	27.8	Very low	31.6	Very low	83 Å²	83	116.9 Å²	116.9	58%	0.58	70%	0.695	S	S	*	*			trans	-128.9	112.7	170.5	70	0	0	0	0	112.3	D807	D807-S809 VanDerWaalsContact C-N 3.26Å; D807-S809 PolarHBondContact O-N 3.07Å; D807-S809 PolarHBondContact OD1-OG 3.18Å
810	H	28.6	Very low	31	Very low	171 Å²	171	120.6 Å²	120.6	79%	0.792	71%	0.709	S	S	*	*			trans	20.6	103.4	170	-65.8	-77.5	0	0	0	120.6	T812	H810-T812 PolarHBondContact O-N 3.4Å
811	P	28.1	Very low	30.2	Very low	134 Å²	134	123.3 Å²	123.3	87%	0.87	73%	0.729	S	S	*	*			trans	-81.9	94.3	166.1	33	-32.6	0	0	0	111.7
812	T	28.6	Very low	29.6	Very low	126 Å²	126	127.8 Å²	127.8	77%	0.773	75%	0.75	S	S	*	*			trans	-132.9	48.9	176.5	61.4	0	0	0	0	114.7	H810	H810-T812 PolarHBondContact O-N 3.4Å
813	S	33	Very low	29.2	Very low	118 Å²	118	127.8 Å²	127.8	83%	0.825	76%	0.758	S	S	*	*			trans	-158.8	119.6	156.1	58.1	0	0	0	0	111.2
814	S	27.5	Very low	29.2	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	77%	0.771	S	S	*	*			trans	-76	128.3	-178	52.3	0	0	0	0	113.2
815	T	33.6	Very low	29.2	Very low	129 Å²	129	134.1 Å²	134.1	79%	0.791	78%	0.777	S	S	*	*			trans	-142.1	129.9	148.2	-61.6	0	0	0	0	108.2	C817	T815-C817 PolarHBondContact O-N 2.81Å
816	S	29	Very low	29.1	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	77%	0.772	S	S	*	*			trans	-40.6	118.5	-170.2	50.6	0	0	0	0	116.2
817	C	24.3	Very low	29.1	Very low	134 Å²	134	129 Å²	129	91%	0.905	75%	0.754	S	S	*	*			trans	-73.2	120.6	163.1	-46.2	0	0	0	0	109.4	T815	T815-C817 PolarHBondContact O-N 2.81Å
818	S	27.5	Very low	29.4	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	76%	0.757	S	S	*	*			trans	-87.8	127.4	167	45	0	0	0	0	110.4	V820	S818-V820 PolarHBondContact O-N 2.92Å
819	S	27.1	Very low	29.8	Very low	124 Å²	124	123.7 Å²	123.7	87%	0.867	74%	0.742	S	S	*	*			trans	-71.1	112.1	177.8	51.9	0	0	0	0	111
820	V	28.2	Very low	30.6	Very low	116 Å²	116	125.1 Å²	125.1	70%	0.703	74%	0.743	S	S	*	*			trans	-104.9	112.2	165.3	-179.5	0	0	0	0	108.4	S818 I822	S818-V820 PolarHBondContact O-N 2.92Å; V820-I822 HydrophobicContact CG1-CG1 4.39Å; V820-I822 PolarHBondContact O-N 2.87Å
821	S	25.9	Very low	31.8	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	74%	0.738	S	S	*	*			trans	-70	94.8	170.6	51	0	0	0	0	109.6	N823	S821-N823 PolarHBondContact O-N 2.57Å
822	I	29	Very low	33.6	Very low	132 Å²	132	120.6 Å²	120.6	68%	0.677	70%	0.704	S	S	*	*			trans	-71.9	114.6	177.9	-59.1	177	0	0	0	108.9	V820 K824	V820-I822 HydrophobicContact CG1-CG1 4.39Å; V820-I822 PolarHBondContact O-N 2.87Å; I822-K824 PolarHBondContact O-N 2.88Å
823	N	27.1	Very low	35.5	Very low	121 Å²	121	116 Å²	116	65%	0.647	68%	0.676	S	S	*	*			trans	-62.5	132.7	177.9	-67.5	-32	0	0	0	110.5	S821 T825	S821-N823 PolarHBondContact O-N 2.57Å; N823-T825 PolarHBondContact O-N 3.17Å
824	K	32.4	Very low	37.6	Very low	172 Å²	172	111.3 Å²	111.3	75%	0.748	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	1	-170.3	-85.9	-176.1	172.4	-179.6	0	115.9	I822 L827	I822-K824 PolarHBondContact O-N 2.88Å; K824-L827 WeakPolarHBondContact O-CD1 3.35Å
825	T	31.7	Very low	40.2	Very low	129 Å²	129	111.1 Å²	111.1	79%	0.791	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-14.4	-175	38.1	0	0	0	0	115.3	N823	N823-T825 PolarHBondContact O-N 3.17Å
826	E	31.7	Very low	42.7	Very low	150 Å²	150	105.5 Å²	105.5	70%	0.701	60%	0.596	S	S	*	*	S	Bend	trans	-90.9	3.2	-179.9	-66.9	-159.2	142.5	0	0	115.2	N828	E826-N828 VanDerWaalsContact C-N 3.25Å; E826-N828 PolarHBondContact O-N 2.86Å
827	L	32.5	Very low	45.1	Very low	85 Å²	85	105 Å²	105	45%	0.445	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.3	-16	-166.4	-93.3	82.3	0	0	0	116.3	K824	K824-L827 WeakPolarHBondContact O-CD1 3.35Å
828	N	35.5	Very low	47.8	Very low	146 Å²	146	107.2 Å²	107.2	78%	0.781	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	10.1	-153.7	-69.7	-4	0	0	0	117.7	E826	E826-N828 VanDerWaalsContact C-N 3.25Å; E826-N828 PolarHBondContact O-N 2.86Å
829	S	37.2	Very low	50.5	Low	85 Å²	85	103.9 Å²	103.9	59%	0.594	55%	0.554	S	S	*	*	S	Bend	trans	-143.9	-20.7	179.2	-74.6	0	0	0	0	118.2
830	N	44.7	Very low	53.2	Low	112 Å²	112	100.6 Å²	100.6	60%	0.599	53%	0.53	S	S	*	.			trans	-110	2.2	-161.6	-69.1	-21	0	0	0	116	L832	N830-L832 PolarHBondContact O-N 3.02Å
831	R	52.8	Low	55.4	Low	181 Å²	181	106.7 Å²	106.7	68%	0.683	54%	0.54	S	S	*	.			trans	-79.3	100.9	177.1	-73.6	-173.8	175.8	-178.1	0.1	110.8	P833	R831-P833 WeakPolarHBondContact O-CD 3.35Å
832	L	66.3	Low	57.8	Low	30 Å²	30	105.7 Å²	105.7	16%	0.157	53%	0.533	C	S	.	.			trans	-98.1	102.7	169.8	-66.2	177.7	0	0	0	108.7	R552 N830 A849	R552-L832 HydrophobicContact CB-CD2 3.86Å; R552-L832 HydrophobicContact CG-CD1 4.37Å; R552-L832 HydrophobicContact CG-CD2 3.7Å; N830-L832 PolarHBondContact O-N 3.02Å; L832-A849 CarbonylContact C-O 3.5Å
833	P	68.9	Low	60.5	Low	29 Å²	29	99.6 Å²	99.6	19%	0.188	50%	0.502	C	S	.	.			trans	-90.7	-13.7	-163.1	33.4	-33.3	0	0	0	114.8	V801 R831 A849	V801-P833 HydrophobicContact CB-CB 4.33Å; V801-P833 HydrophobicContact CB-CG 3.62Å; V801-P833 HydrophobicContact CG1-CB 4.02Å; V801-P833 HydrophobicContact CG1-CG 3.64Å; V801-P833 VanDerWaalsContact O-CB 3.23Å; V801-P833 WeakPolarHBondContact O-CB 3.46Å; V801-P833 VanDerWaalsContact O-CG 3.31Å; V801-P833 WeakPolarHBondContact O-CG 3.43Å; R831-P833 WeakPolarHBondContact O-CD 3.35Å; P833-A849 WeakPolarHBondContact CD-O 3.33Å
834	L	77.5	Confident	63.3	Low	20 Å²	20	93.8 Å²	93.8	11%	0.105	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132	176.1	-55.8	178	0	0	0	109.7	L659 V788 I790 V801 T848 A849	L659-L834 HydrophobicContact CD2-CD1 4.27Å; V788-L834 HydrophobicContact CG1-CD2 4.34Å; I790-L834 HydrophobicContact CD1-CD1 3.93Å; I790-L834 HydrophobicContact CG1-CD1 4.36Å; V801-L834 HydrophobicContact CG1-CD2 4.34Å; L834-T848 CarbonylContact O-C 3.54Å; L834-T848 WeakPolarHBondContact O-CA 3.36Å; L834-A849 HydrophobicContact CB-CB 4.19Å; L834-A849 WeakPolarHBondContact CB-O 3.4Å; L834-A849 PolarHBondContact N-O 3.4Å; L834-A849 PolarHBondContact O-N 3.5Å
835	L	82.1	Confident	66.1	Low	114 Å²	114	85.6 Å²	85.6	60%	0.597	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.8	177.3	-63.1	178.6	0	0	0	110.8	V788 L837 T848	V788-L835 WeakPolarHBondContact CG2-O 3.3Å; L835-L837 HydrophobicContact CB-CD2 4.49Å; L835-L837 PolarHBondContact O-N 3.39Å; L835-T848 HydrophobicContact CD2-CG2 4.1Å
836	L	85	Confident	68.6	Low	10 Å²	10	82.2 Å²	82.2	5%	0.052	42%	0.42	C	S	.	.			trans	-86.1	92.3	176.3	-60.1	-179.2	0	0	0	109.7	L553 I661 S786 V788 L839 L845 G847 A849	L553-L836 HydrophobicContact CD2-CD1 4.26Å; I661-L836 HydrophobicContact CG1-CD2 4.18Å; S786-L836 WeakPolarHBondContact OG-CA 3.37Å; V788-L836 HydrophobicContact CG2-CD2 3.96Å; L836-L839 HydrophobicContact CB-CD1 3.91Å; L836-L839 HydrophobicContact CB-CD2 4.25Å; L836-L839 HydrophobicContact CB-CG 4.01Å; L836-L839 HydrophobicContact CD1-CD1 4.38Å; L836-L845 HydrophobicContact CD1-CD1 3.92Å; L836-G847 PolarHBondContact N-O 3.12Å; L836-A849 HydrophobicContact CD1-CB 4.17Å; L836-A849 HydrophobicContact CD2-CB 3.91Å; L836-A849 HydrophobicContact CG-CB 3.98Å
837	L	80.4	Confident	71.1	Confident	105 Å²	105	75.8 Å²	75.8	55%	0.55	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	156.2	179.3	-57.6	-178.9	0	0	0	112.2	S786 L835 L839	S786-L837 WeakPolarHBondContact CB-O 3.4Å; S786-L837 PolarHBondContact OG-N 3.23Å; S786-L837 PolarHBondContact OG-O 3.42Å; L835-L837 HydrophobicContact CB-CD2 4.49Å; L835-L837 PolarHBondContact O-N 3.39Å; L837-L839 VanDerWaalsContact C-N 3.26Å; L837-L839 PolarHBondContact O-N 3.41Å; L837-L839 VanDerWaalsContact O-N 3.15Å
838	H	81.4	Confident	73.6	Confident	179 Å²	179	74 Å²	74	83%	0.829	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	18.5	172.3	-53.2	-68.2	0	0	0	117.6
839	L	83.5	Confident	76.1	Confident	38 Å²	38	67 Å²	67	20%	0.199	35%	0.35	C	S	.	.			trans	-53.8	127.9	177.5	-75.7	-179	0	0	0	113.6	L785 L836 L837 T843 L845	L785-L839 HydrophobicContact CB-CD2 3.87Å; L836-L839 HydrophobicContact CB-CD1 3.91Å; L836-L839 HydrophobicContact CB-CD2 4.25Å; L836-L839 HydrophobicContact CB-CG 4.01Å; L836-L839 HydrophobicContact CD1-CD1 4.38Å; L837-L839 VanDerWaalsContact C-N 3.26Å; L837-L839 PolarHBondContact O-N 3.41Å; L837-L839 VanDerWaalsContact O-N 3.15Å; L839-T843 HydrophobicContact CB-CG2 4.04Å; L839-T843 HydrophobicContact CD1-CG2 4.21Å; L839-T843 HydrophobicContact CD2-CG2 4.21Å; L839-T843 HydrophobicContact CG-CG2 4.4Å; L839-L845 HydrophobicContact CD1-CB 3.97Å; L839-L845 HydrophobicContact CD2-CD1 4.3Å
840	P	83.1	Confident	78.3	Confident	54 Å²	54	63.2 Å²	63.2	35%	0.351	32%	0.324	S	S	.	.			trans	-59.9	139.4	171.7	-24.3	33.9	0	0	0	112.2	L785 S842 T843	L785-P840 HydrophobicContact CD2-CG 4.24Å; P840-S842 PolarHBondContact O-N 3.46Å; P840-T843 WeakPolarHBondContact O-CB 3.37Å; P840-T843 WeakPolarHBondContact O-CG2 3.48Å; P840-T843 PolarHBondContact O-N 3.33Å
841	R	75.1	Confident	80.2	Confident	245 Å²	245	59.4 Å²	59.4	93%	0.925	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.7	-177.7	-73.5	-175.5	175.7	175.9	-1.5	113.9	K556 T843	K556-R841 PolarHBondContact NZ-O 2.93Å; R841-T843 VanDerWaalsContact C-N 3.32Å; R841-T843 PolarHBondContact O-N 3.11Å
842	S	77.1	Confident	81.6	Confident	82 Å²	82	52.3 Å²	52.3	57%	0.573	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.7	178.2	49.9	0	0	0	0	115.8	P840	P840-S842 PolarHBondContact O-N 3.46Å
843	T	84.4	Confident	82.1	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.025	30%	0.301	C	S	.	.	S	Bend	trans	-71.1	147	176.5	-167.1	0	0	0	0	111.9	K556 L785 L839 P840 R841 L845	K556-T843 PolarHBondContact NZ-O 3.22Å; L785-T843 WeakPolarHBondContact CD1-OG1 3.31Å; L839-T843 HydrophobicContact CB-CG2 4.04Å; L839-T843 HydrophobicContact CD1-CG2 4.21Å; L839-T843 HydrophobicContact CD2-CG2 4.21Å; L839-T843 HydrophobicContact CG-CG2 4.4Å; P840-T843 WeakPolarHBondContact O-CB 3.37Å; P840-T843 WeakPolarHBondContact O-CG2 3.48Å; P840-T843 PolarHBondContact O-N 3.33Å; R841-T843 VanDerWaalsContact C-N 3.32Å; R841-T843 PolarHBondContact O-N 3.11Å; T843-L845 HydrophobicContact CG2-CB 4.02Å; T843-L845 WeakPolarHBondContact CG2-O 3.24Å; T843-L845 PolarHBondContact O-N 3.34Å
844	P	86.9	Confident	82.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-66.1	-19.4	170	26.6	-36.4	0	0	0	113.9	L555 K556 Y570 Y601 L623	L555-P844 HydrophobicContact CD2-CB 4.38Å; K556-P844 PolarHBondContact N-O 3.12Å; Y570-P844 HydrophobicContact CD1-CB 3.77Å; Y570-P844 HydrophobicContact CD2-CB 3.85Å; Y570-P844 HydrophobicContact CE1-CB 3.72Å; Y570-P844 HydrophobicContact CE2-CB 3.83Å; Y570-P844 HydrophobicContact CG-CB 3.83Å; Y601-P844 HydrophobicContact CD1-CG 4.37Å; Y601-P844 HydrophobicContact CG-CG 4.24Å; L623-P844 HydrophobicContact CD1-CB 3.95Å; L623-P844 HydrophobicContact CD1-CG 3.92Å
845	L	89.9	Confident	82.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.5	-174.3	-51.8	-175.2	0	0	0	113.3	L553 S554 L555 K556 L603 I661 L785 L836 L839 T843	L553-L845 HydrophobicContact CB-CD2 3.91Å; L553-L845 HydrophobicContact CD1-CD1 4.05Å; L553-L845 HydrophobicContact CD1-CD2 3.94Å; S554-L845 CarbonylContact O-C 3.59Å; S554-L845 VanDerWaalsContact O-CA 3.3Å; S554-L845 WeakPolarHBondContact O-CA 3.38Å; L555-L845 HydrophobicContact CD2-CD2 4.07Å; K556-L845 WeakPolarHBondContact CE-O 3.16Å; K556-L845 PolarHBondContact NZ-O 2.91Å; L603-L845 HydrophobicContact CD1-CD2 3.92Å; I661-L845 HydrophobicContact CG2-CD1 3.97Å; L785-L845 HydrophobicContact CD1-CD1 3.78Å; L785-L845 HydrophobicContact CD1-CG 4.32Å; L836-L845 HydrophobicContact CD1-CD1 3.92Å; L839-L845 HydrophobicContact CD1-CB 3.97Å; L839-L845 HydrophobicContact CD2-CD1 4.3Å; T843-L845 HydrophobicContact CG2-CB 4.02Å; T843-L845 WeakPolarHBondContact CG2-O 3.24Å; T843-L845 PolarHBondContact O-N 3.34Å
846	A	85.6	Confident	81.7	Confident	57 Å²	57	54.1 Å²	54.1	47%	0.471	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-26.7	-179	0	0	0	0	0	114.7	S554 K556	S554-A846 PolarHBondContact O-N 2.67Å; K556-A846 HydrophobicContact CG-CB 4.18Å
847	G	84.5	Confident	81.1	Confident	16 Å²	16	55.7 Å²	55.7	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.9	-7.4	173.2	0	0	0	0	0	116.5	S554 L836	S554-G847 PolarHBondContact OG-N 3.1Å; L836-G847 PolarHBondContact N-O 3.12Å
848	T	84.8	Confident	80.7	Confident	47 Å²	47	51.5 Å²	51.5	29%	0.288	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.5	178	63.5	0	0	0	0	112.3	S554 L834 L835	S554-T848 WeakPolarHBondContact CB-OG1 3.44Å; S554-T848 PolarHBondContact N-O 3.01Å; S554-T848 PolarHBondContact OG-N 3.38Å; S554-T848 PolarHBondContact OG-O 2.85Å; S554-T848 PolarHBondContact OG-OG1 3.32Å; L834-T848 CarbonylContact O-C 3.54Å; L834-T848 WeakPolarHBondContact O-CA 3.36Å; L835-T848 HydrophobicContact CD2-CG2 4.1Å
849	A	86.2	Confident	80.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.3	179	0	0	0	0	0	111.8	R552 L553 L832 P833 L834 L836	R552-A849 CarbonylContact O-C 3.5Å; R552-A849 WeakPolarHBondContact O-CA 3.49Å; L553-A849 HydrophobicContact CD2-CB 3.67Å; L832-A849 CarbonylContact C-O 3.5Å; P833-A849 WeakPolarHBondContact CD-O 3.33Å; L834-A849 HydrophobicContact CB-CB 4.19Å; L834-A849 WeakPolarHBondContact CB-O 3.4Å; L834-A849 PolarHBondContact N-O 3.4Å; L834-A849 PolarHBondContact O-N 3.5Å; L836-A849 HydrophobicContact CD1-CB 4.17Å; L836-A849 HydrophobicContact CD2-CB 3.91Å; L836-A849 HydrophobicContact CG-CB 3.98Å
850	G	83.5	Confident	79.6	Confident	4 Å²	4	45.1 Å²	45.1	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	169.2	176.5	0	0	0	0	0	111.4	R552	R552-G850 PolarHBondContact N-O 3.23Å; R552-G850 PolarHBondContact O-N 2.95Å
851	L	85.4	Confident	79.1	Confident	33 Å²	33	49.1 Å²	49.1	17%	0.173	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.9	177	-53.7	179.7	0	0	0	108.8	M546 L548 I551 I790 L796 A854	M546-L851 HydrophobicContact CE-CD1 3.76Å; L548-L851 HydrophobicContact CD2-CD1 4.42Å; I551-L851 HydrophobicContact CG1-CD2 4.05Å; I551-L851 HydrophobicContact CG2-CD2 4.4Å; I790-L851 HydrophobicContact CD1-CD1 4.32Å; L796-L851 HydrophobicContact CD2-CD1 4.24Å; L851-A854 HydrophobicContact CB-CB 3.44Å; L851-A854 VanDerWaalsContact CB-CB 3.44Å; L851-A854 HydrophobicContact CD1-CB 4.2Å; L851-A854 HydrophobicContact CG-CB 4.48Å
852	V	82	Confident	79	Confident	31 Å²	31	39.2 Å²	39.2	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.7	-179.5	-167.8	0	0	0	0	109.1	S549 A550 R552 A854	S549-V852 PolarHBondContact N-O 3.14Å; S549-V852 WeakPolarHBondContact OG-CB 3.49Å; S549-V852 WeakPolarHBondContact OG-CG1 3.28Å; S549-V852 PolarHBondContact OG-O 3.02Å; A550-V852 HydrophobicContact CB-CB 4.12Å; A550-V852 HydrophobicContact CB-CG2 4.08Å; A550-V852 PolarHBondContact O-N 3.41Å; R552-V852 HydrophobicContact CB-CG2 3.88Å; V852-A854 PolarHBondContact O-N 3.21Å; V852-A854 VanDerWaalsContact O-N 3.16Å
853	D	77.2	Confident	79.1	Confident	112 Å²	112	38.6 Å²	38.6	60%	0.599	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	37	-176	-48.5	-47.2	0	0	0	113.9	S549 F855	S549-D853 WeakPolarHBondContact CB-OD2 3.3Å; S549-D853 PolarHBondContact OG-OD2 3.24Å; D853-F855 WeakPolarHBondContact O-CD1 3.44Å
854	A	75.2	Confident	79.2	Confident	13 Å²	13	38.8 Å²	38.8	11%	0.107	22%	0.218	C	C	.	.			trans	-86.5	116	-173.5	0	0	0	0	0	112.2	K547 L548 L796 L851 V852	K547-A854 VanDerWaalsContact O-CA 3.28Å; K547-A854 WeakPolarHBondContact O-CA 3.23Å; L548-A854 HydrophobicContact CB-CB 4.06Å; L796-A854 HydrophobicContact CD2-CB 4.13Å; L851-A854 HydrophobicContact CB-CB 3.44Å; L851-A854 VanDerWaalsContact CB-CB 3.44Å; L851-A854 HydrophobicContact CD1-CB 4.2Å; L851-A854 HydrophobicContact CG-CB 4.48Å; V852-A854 PolarHBondContact O-N 3.21Å; V852-A854 VanDerWaalsContact O-N 3.16Å
855	F	71.4	Confident	79.5	Confident	93 Å²	93	43.6 Å²	43.6	41%	0.408	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.7	176.9	63.1	-89.1	0	0	0	112.7	M546 K547 D853	M546-F855 WeakPolarHBondContact CA-O 3.35Å; K547-F855 HydrophobicContact CB-CD1 4.33Å; K547-F855 HydrophobicContact CB-CE1 3.88Å; K547-F855 HydrophobicContact CB-CE2 4.27Å; K547-F855 HydrophobicContact CB-CZ 3.88Å; K547-F855 HydrophobicContact CD-CE1 4.42Å; K547-F855 HydrophobicContact CD-CE2 4.22Å; K547-F855 HydrophobicContact CD-CZ 3.73Å; K547-F855 HydrophobicContact CG-CE2 4.46Å; K547-F855 HydrophobicContact CG-CZ 4.21Å; K547-F855 PolarHBondContact N-O 2.93Å; K547-F855 PolarHBondContact O-N 3.17Å; D853-F855 WeakPolarHBondContact O-CD1 3.44Å
856	V	73.2	Confident	79.7	Confident	13 Å²	13	44.3 Å²	44.3	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.5	167.6	-173.8	0	0	0	0	110.1	A544 R545 M546 F655 L796 L797	A544-V856 HydrophobicContact CB-CG1 3.82Å; R545-V856 CarbonylContact O-C 3.59Å; R545-V856 WeakPolarHBondContact O-CA 3.35Å; M546-V856 HydrophobicContact CB-CG2 4.12Å; M546-V856 HydrophobicContact CG-CG2 4.12Å; F655-V856 HydrophobicContact CZ-CG2 4.33Å; L796-V856 HydrophobicContact CB-CG2 4.31Å; L796-V856 PolarHBondContact O-N 3.33Å; L796-V856 VanDerWaalsContact O-N 3.09Å; L797-V856 HydrophobicContact CD2-CB 3.91Å; L797-V856 HydrophobicContact CD2-CG1 3.66Å; L797-V856 HydrophobicContact CG-CB 4.06Å; L797-V856 HydrophobicContact CG-CG1 4.34Å; L797-V856 HydrophobicContact CG-CG2 4.34Å
857	S	72.3	Confident	80.1	Confident	43 Å²	43	44.8 Å²	44.8	30%	0.301	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.2	176.8	57.9	0	0	0	0	111.2	A544 R545	A544-S857 CarbonylContact C-O 3.53Å; A544-S857 WeakPolarHBondContact CA-O 2.81Å; R545-S857 PolarHBondContact N-O 3.32Å; R545-S857 PolarHBondContact O-N 3.3Å; R545-S857 PolarHBondContact O-OG 2.86Å
858	L	72.6	Confident	80.6	Confident	18 Å²	18	44 Å²	44	9%	0.094	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.8	177.1	-60.9	-177.4	0	0	0	110.6	I542 A544 A860 R888 D890 L1030 W1033 M1034	I542-L858 HydrophobicContact CG2-CD2 4.17Å; A544-L858 HydrophobicContact CB-CD2 3.81Å; L858-A860 PolarHBondContact O-N 3.34Å; L858-R888 PolarHBondContact O-NH2 3.05Å; L858-D890 HydrophobicContact CB-CB 4.03Å; L858-D890 HydrophobicContact CD1-CB 3.78Å; L858-L1030 HydrophobicContact CD1-CD2 4.45Å; L858-W1033 HydrophobicContact CD2-CE3 4.29Å; L858-W1033 HydrophobicContact CD2-CH2 4.05Å; L858-W1033 HydrophobicContact CD2-CZ3 3.84Å; L858-M1034 HydrophobicContact CD1-CE 4.49Å
859	E	70.2	Confident	81.2	Confident	73 Å²	73	42.3 Å²	42.3	34%	0.341	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	75.8	160.1	-71.9	-171.6	127.1	0	0	109.3	R543 R545	R543-E859 HydrophobicContact CB-CB 4.21Å; R543-E859 IonicContact CZ-OE2 3.06Å; R543-E859 PolarHBondContact N-O 3.46Å; R543-E859 IonicContact NH1-OE2 3.59Å; R543-E859 PolarHBondContact NH1-OE2 2.8Å; R543-E859 WeakPolarHBondContact O-CA 3.45Å; R543-E859 WeakPolarHBondContact O-CB 3.35Å; R543-E859 PolarHBondContact O-N 3.2Å; R545-E859 IonicContact CZ-OE1 3.61Å; R545-E859 IonicContact CZ-OE2 2.7Å; R545-E859 IonicContact NE-OE1 2.81Å; R545-E859 PolarHBondContact NE-OE1 2.95Å; R545-E859 IonicContact NE-OE2 3.83Å; R545-E859 PolarHBondContact NE-OE2 3.47Å; R545-E859 IonicContact NH2-OE1 3.45Å; R545-E859 PolarHBondContact NH2-OE1 3.49Å; R545-E859 IonicContact NH2-OE2 3.69Å; R545-E859 PolarHBondContact NH2-OE2 3.36Å; R545-E859 VanDerWaalsContact NH2-OE2 3.13Å
860	A	71.8	Confident	81.6	Confident	10 Å²	10	42.7 Å²	42.7	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.7	166.5	0	0	0	0	0	111.2	P541 L858 R888 A889 D890	P541-A860 WeakPolarHBondContact O-CA 3.39Å; L858-A860 PolarHBondContact O-N 3.34Å; A860-R888 HydrophobicContact CB-CB 3.96Å; A860-A889 HydrophobicContact CB-CB 3.79Å; A860-D890 HydrophobicContact CB-CB 4.06Å; A860-D890 VanDerWaalsContact CB-CG 3.48Å; A860-D890 VanDerWaalsContact CB-OD1 3.29Å; A860-D890 WeakPolarHBondContact CB-OD1 3.47Å
861	K	71.4	Confident	82.1	Confident	137 Å²	137	44.4 Å²	44.4	60%	0.596	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-68.8	145.2	167.8	-167.5	-177.7	175.1	-175.2	0	109.5	P541 L863 R888	P541-K861 PolarHBondContact O-N 3.28Å; P541-K861 VanDerWaalsContact O-N 3.13Å; K861-L863 HydrophobicContact CD-CD2 4.45Å; K861-L863 PolarHBondContact O-N 2.76Å; K861-R888 WeakPolarHBondContact O-CA 3.5Å
862	V	73	Confident	82.3	Confident	37 Å²	37	43.8 Å²	43.8	22%	0.224	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.7	163.6	177.9	0	0	0	0	107.7	R865 Q886 L887 R888	V862-R865 HydrophobicContact CG1-CG 4.27Å; V862-Q886 HydrophobicContact CG1-CG 3.64Å; V862-Q886 HydrophobicContact CG2-CG 4.03Å; V862-L887 CarbonylContact C-O 3.52Å; V862-L887 WeakPolarHBondContact CA-O 3.27Å; V862-R888 HydrophobicContact CG2-CG 3.94Å
863	L	79.3	Confident	82.4	Confident	69 Å²	69	42.8 Å²	42.8	36%	0.361	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-36.9	-173	-69.1	167.4	0	0	0	112	K861 L887 A889 C1026	K861-L863 HydrophobicContact CD-CD2 4.45Å; K861-L863 PolarHBondContact O-N 2.76Å; L863-L887 PolarHBondContact N-O 2.95Å; L863-A889 HydrophobicContact CD1-CB 4.03Å; L863-C1026 WeakPolarHBondContact CD1-SG 3.43Å
864	A	87.2	Confident	82.6	Confident	8 Å²	8	42.7 Å²	42.7	7%	0.066	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.7	178.9	0	0	0	0	0	112.4	L887 W1022	A864-L887 HydrophobicContact CB-CB 4.02Å; A864-L887 HydrophobicContact CB-CD2 4.28Å; A864-L887 PolarHBondContact N-O 2.74Å; A864-L887 PolarHBondContact O-N 2.88Å; A864-W1022 HydrophobicContact CB-CD2 3.59Å; A864-W1022 HydrophobicContact CB-CE3 3.23Å; A864-W1022 HydrophobicContact CB-CG 4.17Å; A864-W1022 HydrophobicContact CB-CH2 4.22Å; A864-W1022 HydrophobicContact CB-CZ3 3.6Å
865	R	92.8	Very high	82.5	Confident	102 Å²	102	45.2 Å²	45.2	39%	0.385	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.5	165.9	-65.2	-171.3	-173	85.9	-20.3	110.3	V862 W884 C885 Q886 E901 R905	V862-R865 HydrophobicContact CG1-CG 4.27Å; R865-W884 HydrophobicContact CB-CH2 4.02Å; R865-W884 HydrophobicContact CB-CZ2 3.72Å; R865-W884 HydrophobicContact CG-CZ2 4.23Å; R865-C885 VanDerWaalsContact CA-O 3.26Å; R865-C885 WeakPolarHBondContact CA-O 3.34Å; R865-Q886 HydrophobicContact CG-CB 4.35Å; R865-Q886 HydrophobicContact CG-CG 4.2Å; R865-E901 VanDerWaalsContact CD-OE2 3.26Å; R865-E901 WeakPolarHBondContact CD-OE2 3.45Å; R865-E901 IonicContact CZ-OE1 3.27Å; R865-E901 VanDerWaalsContact CZ-OE1 3.24Å; R865-E901 IonicContact CZ-OE2 2.68Å; R865-E901 VanDerWaalsContact NE-CD 3.27Å; R865-E901 IonicContact NE-OE1 3.8Å; R865-E901 PolarHBondContact NE-OE1 3.45Å; R865-E901 IonicContact NE-OE2 3.95Å; R865-E901 PolarHBondContact NE-OE2 3.02Å; R865-E901 IonicContact NH2-OE1 2.97Å; R865-E901 PolarHBondContact NH2-OE1 3.1Å; R865-R905 VanDerWaalsContact NH2-NH2 3.14Å
866	G	93.4	Very high	82.8	Confident	15 Å²	15	41.6 Å²	41.6	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	175.2	173.5	0	0	0	0	0	110.3	C885	G866-C885 PolarHBondContact N-O 3.33Å; G866-C885 PolarHBondContact O-N 3.43Å
867	F	95.5	Very high	83.3	Confident	66 Å²	66	47.8 Å²	47.8	29%	0.289	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	145.9	169.1	-70.1	-81.5	0	0	0	110.8	R882 Y883 W884 P898	F867-R882 VanDerWaalsContact CB-CZ 3.5Å; F867-R882 VanDerWaalsContact CB-NH2 3.32Å; F867-R882 HydrophobicContact CD1-CG 4.3Å; F867-Y883 WeakPolarHBondContact CA-O 3.16Å; F867-Y883 WeakPolarHBondContact CD1-O 3.44Å; F867-W884 HydrophobicContact CD1-CB 4.42Å; F867-W884 HydrophobicContact CD1-CE3 4.26Å; F867-W884 AromaticContact CD2-CE3 3.96Å; F867-W884 HydrophobicContact CD2-CE3 3.96Å; F867-W884 HydrophobicContact CD2-CZ3 4.1Å; F867-W884 HydrophobicContact CE1-CB 4.16Å; F867-W884 HydrophobicContact CE1-CE3 4.14Å; F867-W884 AromaticContact CE2-CE3 3.83Å; F867-W884 HydrophobicContact CE2-CE3 3.83Å; F867-W884 AromaticContact CE2-CZ3 3.97Å; F867-W884 HydrophobicContact CE2-CZ3 3.97Å; F867-W884 HydrophobicContact CG-CE3 4.17Å; F867-W884 AromaticContact CZ-CE3 3.93Å; F867-W884 HydrophobicContact CZ-CE3 3.93Å; F867-W884 HydrophobicContact CZ-CZ3 4.46Å; F867-P898 HydrophobicContact CE2-CG 4.47Å; F867-P898 HydrophobicContact CZ-CG 3.82Å
868	M	95.4	Very high	84	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.1	164.5	-51.1	-174.2	85.9	0	0	108.7	Y883 C885 I946 L1008 C1009 W1019	M868-Y883 PolarHBondContact N-O 3.01Å; M868-Y883 PolarHBondContact O-N 3.03Å; M868-C885 HydrophobicContact CG-CB 4.09Å; M868-C885 HydrophobicContact SD-CB 4.24Å; M868-I946 HydrophobicContact CE-CD1 3.86Å; M868-L1008 HydrophobicContact CE-CB 3.6Å; M868-L1008 HydrophobicContact CE-CD1 4.23Å; M868-L1008 HydrophobicContact SD-CB 4.25Å; M868-L1008 HydrophobicContact SD-CD1 4.28Å; M868-C1009 WeakPolarHBondContact CA-O 3.39Å; M868-W1019 HydrophobicContact CE-CB 4.11Å; M868-W1019 HydrophobicContact CE-CD2 3.8Å; M868-W1019 HydrophobicContact CE-CE3 4.24Å; M868-W1019 HydrophobicContact CE-CG 3.73Å; M868-W1019 HydrophobicContact CG-CD2 4.4Å; M868-W1019 HydrophobicContact CG-CH2 4.42Å; M868-W1019 HydrophobicContact CG-CZ2 3.85Å; M868-W1019 HydrophobicContact SD-CD2 3.67Å; M868-W1019 HydrophobicContact SD-CE3 3.78Å; M868-W1019 HydrophobicContact SD-CG 4.25Å; M868-W1019 HydrophobicContact SD-CH2 3.96Å; M868-W1019 HydrophobicContact SD-CZ2 3.85Å; M868-W1019 HydrophobicContact SD-CZ3 3.9Å
869	T	96.1	Very high	85	Confident	11 Å²	11	49 Å²	49	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.2	169.4	-49.6	0	0	0	0	108.2	W880 Q881 C1009	T869-W880 HydrophobicContact CG2-CB 3.85Å; T869-W880 HydrophobicContact CG2-CE3 4.07Å; T869-W880 WeakPolarHBondContact O-CZ3 3.41Å; T869-Q881 CarbonylContact C-O 3.58Å; T869-Q881 WeakPolarHBondContact CA-O 3.44Å; T869-C1009 PolarHBondContact N-O 3.14Å; T869-C1009 WeakPolarHBondContact O-CB 3.21Å; T869-C1009 PolarHBondContact O-N 3.26Å
870	V	94.4	Very high	86.1	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.6	-176.8	-176.8	0	0	0	0	109.2	E872 W880 Q881 Y883 L1008	V870-E872 HydrophobicContact CG1-CG 4.1Å; V870-W880 CarbonylContact O-C 3.48Å; V870-W880 WeakPolarHBondContact O-CA 3.29Å; V870-Q881 PolarHBondContact N-O 2.67Å; V870-Q881 PolarHBondContact O-N 3.32Å; V870-Y883 HydrophobicContact CB-CD2 3.91Å; V870-Y883 HydrophobicContact CB-CE2 4.22Å; V870-Y883 HydrophobicContact CG2-CD2 3.75Å; V870-Y883 HydrophobicContact CG2-CE2 4.5Å; V870-L1008 HydrophobicContact CB-CD2 4.31Å; V870-L1008 HydrophobicContact CG1-CD2 3.99Å; V870-L1008 HydrophobicContact CG2-CD2 3.78Å
871	F	94.1	Very high	87.1	Confident	39 Å²	39	52 Å²	52	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.5	167.8	-172.4	-111.5	0	0	0	109.8	G878 V879 W880 L991 I992 L1007	F871-G878 VanDerWaalsContact CZ-CA 3.49Å; F871-V879 WeakPolarHBondContact CA-O 3.36Å; F871-V879 WeakPolarHBondContact CD2-O 3.49Å; F871-W880 HydrophobicContact CB-CD2 4.24Å; F871-W880 HydrophobicContact CB-CE3 4.09Å; F871-W880 HydrophobicContact CB-CH2 3.94Å; F871-W880 HydrophobicContact CB-CZ2 4.05Å; F871-W880 HydrophobicContact CB-CZ3 3.94Å; F871-W880 AromaticContact CD2-CD1 3.95Å; F871-W880 HydrophobicContact CD2-CD2 4.01Å; F871-W880 AromaticContact CD2-CE2 3.58Å; F871-W880 HydrophobicContact CD2-CG 4.25Å; F871-W880 AromaticContact CD2-CZ2 3.96Å; F871-W880 HydrophobicContact CD2-CZ2 3.96Å; F871-W880 AromaticContact CD2-NE1 3.53Å; F871-W880 AromaticContact CE2-NE1 3.93Å; F871-W880 HydrophobicContact CG-CZ2 4.28Å; F871-L991 HydrophobicContact CE1-CB 4.45Å; F871-L991 HydrophobicContact CZ-CD1 4.3Å; F871-I992 HydrophobicContact CD1-CG2 3.79Å; F871-I992 HydrophobicContact CE1-CG2 3.8Å; F871-L1007 HydrophobicContact CB-CB 3.79Å; F871-L1007 HydrophobicContact CB-CD1 4.38Å; F871-L1007 HydrophobicContact CD1-CD1 4.04Å; F871-L1007 HydrophobicContact CG-CD1 4.3Å; F871-L1007 PolarHBondContact N-O 2.82Å
872	E	89.5	Confident	88.2	Confident	21 Å²	21	50.2 Å²	50.2	10%	0.098	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.9	178	-65.1	-177.7	140.6	0	0	109.9	V870 G878 V879 Y883 F894	V870-E872 HydrophobicContact CG1-CG 4.1Å; E872-G878 WeakPolarHBondContact O-CA 3.4Å; E872-V879 HydrophobicContact CB-CG1 4.04Å; E872-V879 PolarHBondContact N-O 2.83Å; E872-V879 PolarHBondContact O-N 2.92Å; E872-Y883 VanDerWaalsContact CD-OH 3.32Å; E872-Y883 WeakPolarHBondContact OE1-CE2 3.43Å; E872-Y883 PolarHBondContact OE1-OH 2.82Å; E872-Y883 WeakPolarHBondContact OE2-CE2 3.48Å; E872-Y883 PolarHBondContact OE2-OH 3.22Å; E872-F894 WeakPolarHBondContact OE1-CE2 3.47Å
873	E	84.9	Confident	89.3	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.1	178.4	178.2	167.2	-151.3	0	0	110.3	G876 M877 S990 L991 I992 S1056	E873-G876 WeakPolarHBondContact OE1-CA 3.29Å; E873-M877 WeakPolarHBondContact CA-O 3.31Å; E873-S990 VanDerWaalsContact OE1-CA 3.3Å; E873-S990 WeakPolarHBondContact OE1-CA 3.4Å; E873-S990 WeakPolarHBondContact OE2-CA 3.23Å; E873-S990 WeakPolarHBondContact OE2-CB 3.46Å; E873-S990 PolarHBondContact OE2-OG 3.02Å; E873-L991 VanDerWaalsContact CD-N 3.27Å; E873-L991 PolarHBondContact OE1-N 2.77Å; E873-L991 PolarHBondContact OE2-N 3.08Å; E873-I992 HydrophobicContact CB-CD1 4.13Å; E873-I992 HydrophobicContact CB-CG1 4.25Å; E873-I992 PolarHBondContact OE2-N 3.21Å; E873-S1056 VanDerWaalsContact OE1-CB 3.23Å; E873-S1056 WeakPolarHBondContact OE1-CB 3.34Å
874	I	82	Confident	90	Very high	110 Å²	110	48 Å²	48	56%	0.564	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.8	179.2	-55.8	-178	0	0	0	107.6	G876 M877 V879	I874-G876 VanDerWaalsContact C-N 3.31Å; I874-G876 PolarHBondContact O-N 3.19Å; I874-M877 PolarHBondContact N-O 3.35Å; I874-M877 WeakPolarHBondContact O-CB 3.24Å; I874-M877 PolarHBondContact O-N 3.22Å; I874-V879 HydrophobicContact CD1-CG1 3.78Å; I874-V879 HydrophobicContact CG1-CG1 4.08Å
875	G	72.5	Confident	90.3	Very high	66 Å²	66	47.7 Å²	47.7	68%	0.68	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	31.9	175.7	0	0	0	0	0	115.3	M877	G875-M877 VanDerWaalsContact C-N 3.28Å; G875-M877 PolarHBondContact O-N 2.98Å
876	G	77.6	Confident	90.3	Very high	17 Å²	17	43.2 Å²	43.2	18%	0.175	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-0.6	-174.6	0	0	0	0	0	114.7	E873 I874 S1056	E873-G876 WeakPolarHBondContact OE1-CA 3.29Å; I874-G876 VanDerWaalsContact C-N 3.31Å; I874-G876 PolarHBondContact O-N 3.19Å; G876-S1056 PolarHBondContact N-OG 3.35Å
877	M	84.1	Confident	90.2	Very high	142 Å²	142	42.5 Å²	42.5	70%	0.7	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.3	175.4	-61.5	-173.9	-71.1	0	0	110.9	E873 I874 G875	E873-M877 WeakPolarHBondContact CA-O 3.31Å; I874-M877 PolarHBondContact N-O 3.35Å; I874-M877 WeakPolarHBondContact O-CB 3.24Å; I874-M877 PolarHBondContact O-N 3.22Å; G875-M877 VanDerWaalsContact C-N 3.28Å; G875-M877 PolarHBondContact O-N 2.98Å
878	G	87.4	Confident	89.7	Confident	36 Å²	36	42.2 Å²	42.2	37%	0.371	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.1	178.1	0	0	0	0	0	112.3	F871 E872	F871-G878 VanDerWaalsContact CZ-CA 3.49Å; E872-G878 WeakPolarHBondContact O-CA 3.4Å
879	V	91.8	Very high	88.9	Confident	52 Å²	52	42.2 Å²	42.2	32%	0.315	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.5	177.5	68.2	0	0	0	0	111	F871 E872 I874	F871-V879 WeakPolarHBondContact CA-O 3.36Å; F871-V879 WeakPolarHBondContact CD2-O 3.49Å; E872-V879 HydrophobicContact CB-CG1 4.04Å; E872-V879 PolarHBondContact N-O 2.83Å; E872-V879 PolarHBondContact O-N 2.92Å; I874-V879 HydrophobicContact CD1-CG1 3.78Å; I874-V879 HydrophobicContact CG1-CG1 4.08Å
880	W	93.6	Very high	88.1	Confident	68 Å²	68	42 Å²	42	26%	0.258	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	101.5	174.2	-78.2	96.3	0	0	0	110	T869 V870 F871 R942 T945 L1007 C1009	T869-W880 HydrophobicContact CG2-CB 3.85Å; T869-W880 HydrophobicContact CG2-CE3 4.07Å; T869-W880 WeakPolarHBondContact O-CZ3 3.41Å; V870-W880 CarbonylContact O-C 3.48Å; V870-W880 WeakPolarHBondContact O-CA 3.29Å; F871-W880 HydrophobicContact CB-CD2 4.24Å; F871-W880 HydrophobicContact CB-CE3 4.09Å; F871-W880 HydrophobicContact CB-CH2 3.94Å; F871-W880 HydrophobicContact CB-CZ2 4.05Å; F871-W880 HydrophobicContact CB-CZ3 3.94Å; F871-W880 AromaticContact CD2-CD1 3.95Å; F871-W880 HydrophobicContact CD2-CD2 4.01Å; F871-W880 AromaticContact CD2-CE2 3.58Å; F871-W880 HydrophobicContact CD2-CG 4.25Å; F871-W880 AromaticContact CD2-CZ2 3.96Å; F871-W880 HydrophobicContact CD2-CZ2 3.96Å; F871-W880 AromaticContact CD2-NE1 3.53Å; F871-W880 AromaticContact CE2-NE1 3.93Å; F871-W880 HydrophobicContact CG-CZ2 4.28Å; W880-R942 HydrophobicContact CZ2-CB 4.13Å; W880-T945 HydrophobicContact CH2-CG2 3.8Å; W880-L1007 HydrophobicContact CH2-CB 3.89Å; W880-L1007 HydrophobicContact CZ3-CB 4.49Å; W880-C1009 HydrophobicContact CE3-CB 4.31Å; W880-C1009 HydrophobicContact CH2-CB 4.47Å; W880-C1009 HydrophobicContact CZ3-CB 3.79Å
881	Q	93.6	Very high	87.7	Confident	77 Å²	77	43.3 Å²	43.3	36%	0.36	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.7	-175.2	-170.7	57.3	34.9	0	0	111.5	T869 V870 Y883	T869-Q881 CarbonylContact C-O 3.58Å; T869-Q881 WeakPolarHBondContact CA-O 3.44Å; V870-Q881 PolarHBondContact N-O 2.67Å; V870-Q881 PolarHBondContact O-N 3.32Å; Q881-Y883 HydrophobicContact CB-CD2 4.41Å; Q881-Y883 HydrophobicContact CB-CE2 3.7Å; Q881-Y883 HydrophobicContact CG-CD2 4.39Å; Q881-Y883 HydrophobicContact CG-CE1 3.89Å; Q881-Y883 HydrophobicContact CG-CE2 3.69Å; Q881-Y883 VanDerWaalsContact CG-CZ 3.42Å; Q881-Y883 WeakPolarHBondContact CG-OH 3.45Å; Q881-Y883 WeakPolarHBondContact O-CD2 3.43Å
882	R	94.8	Very high	87.6	Confident	100 Å²	100	41.5 Å²	41.5	38%	0.377	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.3	177.7	-170.3	179.4	-176.6	85.9	-10.9	110.8	F867 D1011	F867-R882 VanDerWaalsContact CB-CZ 3.5Å; F867-R882 VanDerWaalsContact CB-NH2 3.32Å; F867-R882 HydrophobicContact CD1-CG 4.3Å; R882-D1011 IonicContact CZ-OD1 2.8Å; R882-D1011 IonicContact CZ-OD2 3.28Å; R882-D1011 VanDerWaalsContact CZ-OD2 3.27Å; R882-D1011 VanDerWaalsContact NH1-CG 3.27Å; R882-D1011 IonicContact NH1-OD1 3.25Å; R882-D1011 PolarHBondContact NH1-OD1 2.88Å; R882-D1011 IonicContact NH1-OD2 3.64Å; R882-D1011 PolarHBondContact NH1-OD2 2.9Å; R882-D1011 IonicContact NH2-OD1 2.67Å; R882-D1011 IonicContact NH2-OD2 3.98Å; R882-D1011 PolarHBondContact NH2-OD2 3.25Å
883	Y	94.9	Very high	87.6	Confident	15 Å²	15	41.9 Å²	41.9	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.8	179.9	-66.5	-63.7	0	0	0	112.2	F867 M868 V870 E872 Q881 F894 W895 R896 L919	F867-Y883 WeakPolarHBondContact CA-O 3.16Å; F867-Y883 WeakPolarHBondContact CD1-O 3.44Å; M868-Y883 PolarHBondContact N-O 3.01Å; M868-Y883 PolarHBondContact O-N 3.03Å; V870-Y883 HydrophobicContact CB-CD2 3.91Å; V870-Y883 HydrophobicContact CB-CE2 4.22Å; V870-Y883 HydrophobicContact CG2-CD2 3.75Å; V870-Y883 HydrophobicContact CG2-CE2 4.5Å; E872-Y883 VanDerWaalsContact CD-OH 3.32Å; E872-Y883 WeakPolarHBondContact OE1-CE2 3.43Å; E872-Y883 PolarHBondContact OE1-OH 2.82Å; E872-Y883 WeakPolarHBondContact OE2-CE2 3.48Å; E872-Y883 PolarHBondContact OE2-OH 3.22Å; Q881-Y883 HydrophobicContact CB-CD2 4.41Å; Q881-Y883 HydrophobicContact CB-CE2 3.7Å; Q881-Y883 HydrophobicContact CG-CD2 4.39Å; Q881-Y883 HydrophobicContact CG-CE1 3.89Å; Q881-Y883 HydrophobicContact CG-CE2 3.69Å; Q881-Y883 VanDerWaalsContact CG-CZ 3.42Å; Q881-Y883 WeakPolarHBondContact CG-OH 3.45Å; Q881-Y883 WeakPolarHBondContact O-CD2 3.43Å; Y883-F894 HydrophobicContact CD1-CD2 4.16Å; Y883-F894 AromaticContact CD2-CD2 3.72Å; Y883-F894 HydrophobicContact CD2-CD2 3.72Å; Y883-F894 HydrophobicContact CD2-CE2 4.03Å; Y883-F894 HydrophobicContact CE1-CD2 4.41Å; Y883-F894 AromaticContact CE2-CD2 3.98Å; Y883-F894 HydrophobicContact CE2-CD2 3.98Å; Y883-F894 AromaticContact CE2-CE2 3.87Å; Y883-F894 HydrophobicContact CE2-CE2 3.87Å; Y883-F894 HydrophobicContact CG-CB 4.45Å; Y883-F894 AromaticContact CG-CD2 3.78Å; Y883-F894 HydrophobicContact CG-CD2 3.78Å; Y883-F894 HydrophobicContact CG-CE2 4.49Å; Y883-W895 CarbonylContact C-O 3.57Å; Y883-W895 VanDerWaalsContact CA-O 3.31Å; Y883-W895 WeakPolarHBondContact CA-O 3.18Å; Y883-W895 VanDerWaalsContact CB-O 3.31Å; Y883-W895 WeakPolarHBondContact CB-O 3.48Å; Y883-W895 WeakPolarHBondContact CD1-O 3.4Å; Y883-R896 HydrophobicContact CD1-CG 4.31Å; Y883-R896 HydrophobicContact CE1-CG 4.13Å; Y883-L919 HydrophobicContact CD1-CD1 4.17Å; Y883-L919 HydrophobicContact CE1-CD1 3.71Å
884	W	94.6	Very high	87.9	Confident	44 Å²	44	41.9 Å²	41.9	17%	0.167	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.4	162.9	178	-109.1	0	0	0	109.8	R865 F867 F894 W895 P898 E901	R865-W884 HydrophobicContact CB-CH2 4.02Å; R865-W884 HydrophobicContact CB-CZ2 3.72Å; R865-W884 HydrophobicContact CG-CZ2 4.23Å; F867-W884 HydrophobicContact CD1-CB 4.42Å; F867-W884 HydrophobicContact CD1-CE3 4.26Å; F867-W884 AromaticContact CD2-CE3 3.96Å; F867-W884 HydrophobicContact CD2-CE3 3.96Å; F867-W884 HydrophobicContact CD2-CZ3 4.1Å; F867-W884 HydrophobicContact CE1-CB 4.16Å; F867-W884 HydrophobicContact CE1-CE3 4.14Å; F867-W884 AromaticContact CE2-CE3 3.83Å; F867-W884 HydrophobicContact CE2-CE3 3.83Å; F867-W884 AromaticContact CE2-CZ3 3.97Å; F867-W884 HydrophobicContact CE2-CZ3 3.97Å; F867-W884 HydrophobicContact CG-CE3 4.17Å; F867-W884 AromaticContact CZ-CE3 3.93Å; F867-W884 HydrophobicContact CZ-CE3 3.93Å; F867-W884 HydrophobicContact CZ-CZ3 4.46Å; W884-F894 VanDerWaalsContact O-CA 3.27Å; W884-F894 WeakPolarHBondContact O-CA 3.36Å; W884-W895 PolarHBondContact N-O 2.95Å; W884-W895 PolarHBondContact O-N 3.45Å; W884-P898 HydrophobicContact CB-CG 4.47Å; W884-P898 HydrophobicContact CD2-CB 4.01Å; W884-P898 HydrophobicContact CD2-CG 3.76Å; W884-P898 HydrophobicContact CE3-CB 4.47Å; W884-P898 HydrophobicContact CE3-CG 3.82Å; W884-P898 HydrophobicContact CG-CB 4.24Å; W884-P898 HydrophobicContact CG-CG 4.08Å; W884-P898 HydrophobicContact CZ2-CB 4.23Å; W884-P898 HydrophobicContact CZ3-CG 4.23Å; W884-E901 PolarHBondContact NE1-OE2 3.09Å
885	C	93.9	Very high	88.3	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.8	-175.1	-64.2	0	0	0	0	111.6	R865 G866 M868 L892 H893 W1019	R865-C885 VanDerWaalsContact CA-O 3.26Å; R865-C885 WeakPolarHBondContact CA-O 3.34Å; G866-C885 PolarHBondContact N-O 3.33Å; G866-C885 PolarHBondContact O-N 3.43Å; M868-C885 HydrophobicContact CG-CB 4.09Å; M868-C885 HydrophobicContact SD-CB 4.24Å; C885-L892 HydrophobicContact CB-CD1 4.01Å; C885-H893 CarbonylContact C-O 3.59Å; C885-H893 WeakPolarHBondContact CA-O 3.4Å; C885-W1019 HydrophobicContact CB-CH2 3.66Å; C885-W1019 HydrophobicContact CB-CZ2 4.11Å; C885-W1019 HydrophobicContact CB-CZ3 4.49Å
886	Q	92.4	Very high	89.1	Confident	9 Å²	9	41 Å²	41	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.6	172.6	-177.7	-163.3	110	0	0	109.8	V862 R865 H893 W895 E901	V862-Q886 HydrophobicContact CG1-CG 3.64Å; V862-Q886 HydrophobicContact CG2-CG 4.03Å; R865-Q886 HydrophobicContact CG-CB 4.35Å; R865-Q886 HydrophobicContact CG-CG 4.2Å; Q886-H893 PolarHBondContact N-O 2.83Å; Q886-H893 PolarHBondContact O-N 2.82Å; Q886-W895 HydrophobicContact CB-CH2 4.34Å; Q886-W895 HydrophobicContact CB-CZ3 3.71Å; Q886-E901 PolarHBondContact NE2-OE1 3.06Å; Q886-E901 VanDerWaalsContact NE2-OE1 3.1Å; Q886-E901 PolarHBondContact NE2-OE2 2.77Å
887	L	91.4	Very high	89.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.6	173.8	-173.1	59.3	0	0	0	110.7	V862 L863 A864 L892 L924 W1019 W1022 L1023	V862-L887 CarbonylContact C-O 3.52Å; V862-L887 WeakPolarHBondContact CA-O 3.27Å; L863-L887 PolarHBondContact N-O 2.95Å; A864-L887 HydrophobicContact CB-CB 4.02Å; A864-L887 HydrophobicContact CB-CD2 4.28Å; A864-L887 PolarHBondContact N-O 2.74Å; A864-L887 PolarHBondContact O-N 2.88Å; L887-L892 HydrophobicContact CB-CD1 4.19Å; L887-L892 HydrophobicContact CD1-CB 4.26Å; L887-L892 HydrophobicContact CD1-CD1 4.23Å; L887-L924 HydrophobicContact CD1-CD1 3.86Å; L887-W1019 HydrophobicContact CB-CZ3 3.89Å; L887-W1019 HydrophobicContact CD2-CZ3 4.43Å; L887-W1022 HydrophobicContact CD2-CB 3.44Å; L887-W1022 VanDerWaalsContact CD2-CB 3.44Å; L887-L1023 HydrophobicContact CD1-CD2 3.67Å; L887-L1023 HydrophobicContact CD1-CG 4.47Å; L887-L1023 HydrophobicContact CD2-CD2 4.46Å; L887-L1023 HydrophobicContact CD2-CG 4.42Å
888	R	84.4	Confident	89.9	Confident	59 Å²	59	41.7 Å²	41.7	22%	0.223	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	165.9	160.1	-64.3	163.6	50.9	106.6	-1	108.9	L858 A860 K861 V862 D890 Y891 L924	L858-R888 PolarHBondContact O-NH2 3.05Å; A860-R888 HydrophobicContact CB-CB 3.96Å; K861-R888 WeakPolarHBondContact O-CA 3.5Å; V862-R888 HydrophobicContact CG2-CG 3.94Å; R888-D890 WeakPolarHBondContact CB-OD1 3.3Å; R888-D890 IonicContact CZ-OD1 3.79Å; R888-D890 IonicContact CZ-OD2 3.29Å; R888-D890 IonicContact NE-OD1 3.95Å; R888-D890 PolarHBondContact NE-OD1 2.96Å; R888-D890 IonicContact NE-OD2 2.68Å; R888-D890 IonicContact NH2-OD1 3.37Å; R888-D890 PolarHBondContact NH2-OD1 2.79Å; R888-D890 IonicContact NH2-OD2 2.88Å; R888-D890 PolarHBondContact NH2-OD2 2.85Å; R888-D890 PolarHBondContact O-N 3.39Å; R888-Y891 WeakPolarHBondContact CB-O 3.32Å; R888-Y891 PolarHBondContact N-O 3.08Å; R888-L924 WeakPolarHBondContact O-CD1 3.37Å
889	A	78.4	Confident	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-65.7	-17.5	174.4	0	0	0	0	0	114.3	I542 A860 L863 L1030	I542-A889 HydrophobicContact CD1-CB 4.14Å; I542-A889 HydrophobicContact CG1-CB 3.47Å; I542-A889 VanDerWaalsContact CG1-CB 3.47Å; A860-A889 HydrophobicContact CB-CB 3.79Å; L863-A889 HydrophobicContact CD1-CB 4.03Å; A889-L1030 VanDerWaalsContact O-CD1 3.22Å; A889-L1030 WeakPolarHBondContact O-CD1 3.27Å; A889-L1030 WeakPolarHBondContact O-CG 3.16Å
890	D	79.2	Confident	89.5	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.032	18%	0.182	C	C	.	.	S	Bend	trans	-102.9	-38.9	179.3	56.8	-8.3	0	0	0	113.8	L858 A860 R888 L924	L858-D890 HydrophobicContact CB-CB 4.03Å; L858-D890 HydrophobicContact CD1-CB 3.78Å; A860-D890 HydrophobicContact CB-CB 4.06Å; A860-D890 VanDerWaalsContact CB-CG 3.48Å; A860-D890 VanDerWaalsContact CB-OD1 3.29Å; A860-D890 WeakPolarHBondContact CB-OD1 3.47Å; R888-D890 WeakPolarHBondContact CB-OD1 3.3Å; R888-D890 IonicContact CZ-OD1 3.79Å; R888-D890 IonicContact CZ-OD2 3.29Å; R888-D890 IonicContact NE-OD1 3.95Å; R888-D890 PolarHBondContact NE-OD1 2.96Å; R888-D890 IonicContact NE-OD2 2.68Å; R888-D890 IonicContact NH2-OD1 3.37Å; R888-D890 PolarHBondContact NH2-OD1 2.79Å; R888-D890 IonicContact NH2-OD2 2.88Å; R888-D890 PolarHBondContact NH2-OD2 2.85Å; R888-D890 PolarHBondContact O-N 3.39Å; D890-L924 WeakPolarHBondContact O-CB 3.34Å; D890-L924 PolarHBondContact O-N 2.9Å
891	Y	86.5	Confident	89	Confident	37 Å²	37	41 Å²	41	15%	0.145	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.7	-176.1	-70.5	-86.9	0	0	0	112.5	R888 H893 R921 I922 D923 R925	R888-Y891 WeakPolarHBondContact CB-O 3.32Å; R888-Y891 PolarHBondContact N-O 3.08Å; Y891-H893 WeakPolarHBondContact CB-CE1 3.38Å; Y891-H893 AromaticContact CG-CE1 3.84Å; Y891-R921 HydrophobicContact CD1-CB 4.22Å; Y891-R921 HydrophobicContact CD1-CG 4.45Å; Y891-I922 WeakPolarHBondContact CA-O 3.23Å; Y891-D923 HydrophobicContact CD1-CB 3.94Å; Y891-D923 HydrophobicContact CE1-CB 3.59Å; Y891-D923 WeakPolarHBondContact CE1-OD2 3.38Å; Y891-D923 PolarHBondContact OH-OD2 2.87Å; Y891-R925 PolarHBondContact OH-NH2 3.37Å
892	L	91.2	Very high	88.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.6	156.7	-180	59.1	0	0	0	108.5	C885 L887 R921 I922 L1008 W1019 L1023	C885-L892 HydrophobicContact CB-CD1 4.01Å; L887-L892 HydrophobicContact CB-CD1 4.19Å; L887-L892 HydrophobicContact CD1-CB 4.26Å; L887-L892 HydrophobicContact CD1-CD1 4.23Å; L892-R921 CarbonylContact O-C 3.5Å; L892-R921 WeakPolarHBondContact O-CA 3.27Å; L892-I922 HydrophobicContact CB-CB 4.31Å; L892-I922 HydrophobicContact CD2-CD1 4.42Å; L892-I922 PolarHBondContact N-O 3.1Å; L892-I922 PolarHBondContact O-N 3.45Å; L892-L1008 HydrophobicContact CD2-CD1 3.62Å; L892-W1019 HydrophobicContact CD1-CH2 4.12Å; L892-W1019 HydrophobicContact CD1-CZ3 3.7Å; L892-L1023 HydrophobicContact CD2-CD2 4.42Å
893	H	89.6	Confident	87.2	Confident	29 Å²	29	45.4 Å²	45.4	13%	0.134	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	150.8	175.9	-68.5	101.9	0	0	0	110.8	C885 Q886 Y891 W895 P918	C885-H893 CarbonylContact C-O 3.59Å; C885-H893 WeakPolarHBondContact CA-O 3.4Å; Q886-H893 PolarHBondContact N-O 2.83Å; Q886-H893 PolarHBondContact O-N 2.82Å; Y891-H893 WeakPolarHBondContact CB-CE1 3.38Å; Y891-H893 AromaticContact CG-CE1 3.84Å; H893-W895 HydrophobicContact CB-CH2 3.65Å; H893-W895 HydrophobicContact CB-CZ2 4.48Å; H893-W895 HydrophobicContact CB-CZ3 3.72Å; H893-P918 HydrophobicContact CB-CB 4.18Å
894	F	91.4	Very high	86	Confident	10 Å²	10	46.4 Å²	46.4	4%	0.044	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.8	175.2	56.9	-91.5	0	0	0	114.8	E872 Y883 W884 P918 L919 G920	E872-F894 WeakPolarHBondContact OE1-CE2 3.47Å; Y883-F894 HydrophobicContact CD1-CD2 4.16Å; Y883-F894 AromaticContact CD2-CD2 3.72Å; Y883-F894 HydrophobicContact CD2-CD2 3.72Å; Y883-F894 HydrophobicContact CD2-CE2 4.03Å; Y883-F894 HydrophobicContact CE1-CD2 4.41Å; Y883-F894 AromaticContact CE2-CD2 3.98Å; Y883-F894 HydrophobicContact CE2-CD2 3.98Å; Y883-F894 AromaticContact CE2-CE2 3.87Å; Y883-F894 HydrophobicContact CE2-CE2 3.87Å; Y883-F894 HydrophobicContact CG-CB 4.45Å; Y883-F894 AromaticContact CG-CD2 3.78Å; Y883-F894 HydrophobicContact CG-CD2 3.78Å; Y883-F894 HydrophobicContact CG-CE2 4.49Å; W884-F894 VanDerWaalsContact O-CA 3.27Å; W884-F894 WeakPolarHBondContact O-CA 3.36Å; F894-P918 CarbonylContact O-C 3.51Å; F894-L919 HydrophobicContact CD2-CB 4.48Å; F894-L919 PolarHBondContact O-N 3.28Å; F894-G920 WeakPolarHBondContact CD1-O 3.31Å; F894-G920 VanDerWaalsContact CE1-C 3.42Å; F894-G920 VanDerWaalsContact CZ-CA 3.46Å; F894-G920 PolarHBondContact N-O 3.2Å
895	W	91.2	Very high	84.5	Confident	14 Å²	14	51.3 Å²	51.3	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	169.5	178.1	-61.3	-98.3	0	0	0	109.8	Y883 W884 Q886 H893 D900 E901 P918	Y883-W895 CarbonylContact C-O 3.57Å; Y883-W895 VanDerWaalsContact CA-O 3.31Å; Y883-W895 WeakPolarHBondContact CA-O 3.18Å; Y883-W895 VanDerWaalsContact CB-O 3.31Å; Y883-W895 WeakPolarHBondContact CB-O 3.48Å; Y883-W895 WeakPolarHBondContact CD1-O 3.4Å; W884-W895 PolarHBondContact N-O 2.95Å; W884-W895 PolarHBondContact O-N 3.45Å; Q886-W895 HydrophobicContact CB-CH2 4.34Å; Q886-W895 HydrophobicContact CB-CZ3 3.71Å; H893-W895 HydrophobicContact CB-CH2 3.65Å; H893-W895 HydrophobicContact CB-CZ2 4.48Å; H893-W895 HydrophobicContact CB-CZ3 3.72Å; W895-D900 HydrophobicContact CB-CB 3.63Å; W895-D900 VanDerWaalsContact CD1-CB 3.47Å; W895-D900 HydrophobicContact CG-CB 3.72Å; W895-E901 HydrophobicContact CD2-CB 4.4Å; W895-E901 HydrophobicContact CE3-CB 4.3Å; W895-E901 HydrophobicContact CH2-CG 4.12Å; W895-E901 HydrophobicContact CZ2-CG 4.45Å; W895-E901 HydrophobicContact CZ3-CB 4.37Å; W895-E901 HydrophobicContact CZ3-CG 4.22Å; W895-P918 HydrophobicContact CD2-CB 4.32Å; W895-P918 HydrophobicContact CH2-CB 4.44Å; W895-P918 HydrophobicContact CZ2-CB 3.88Å; W895-P918 HydrophobicContact CZ2-CG 4.43Å
896	R	88.5	Confident	82.7	Confident	143 Å²	143	55.6 Å²	55.6	54%	0.54	25%	0.251	S	S	.	.	S	Bend	trans	-67.9	-47	175.2	-86.6	163.4	-172.9	-167.4	0.6	110.8	Y883 D900 L919	Y883-R896 HydrophobicContact CD1-CG 4.31Å; Y883-R896 HydrophobicContact CE1-CG 4.13Å; R896-D900 PolarHBondContact N-OD2 2.86Å; R896-L919 HydrophobicContact CB-CD1 4.2Å; R896-L919 HydrophobicContact CG-CD1 3.61Å
897	Y	89.3	Confident	80.4	Confident	148 Å²	148	58.5 Å²	58.5	58%	0.58	27%	0.266	S	S	*	.	S	Bend	trans	-131.9	157	-173.9	-51.9	-69.8	0	0	0	113.2	E899 D900	Y897-E899 VanDerWaalsContact CB-OE2 3.27Å; Y897-E899 WeakPolarHBondContact CB-OE2 3.38Å; Y897-E899 PolarHBondContact O-N 2.71Å; Y897-D900 PolarHBondContact N-OD2 3.17Å; Y897-D900 WeakPolarHBondContact O-CB 3.28Å; Y897-D900 PolarHBondContact O-N 2.77Å; Y897-D900 VanDerWaalsContact O-N 3.17Å
898	P	88.7	Confident	78.1	Confident	27 Å²	27	66.8 Å²	66.8	18%	0.175	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-24.7	178.6	-23.1	33.1	0	0	0	114.8	F867 W884 D900 E901 Q902	F867-P898 HydrophobicContact CE2-CG 4.47Å; F867-P898 HydrophobicContact CZ-CG 3.82Å; W884-P898 HydrophobicContact CB-CG 4.47Å; W884-P898 HydrophobicContact CD2-CB 4.01Å; W884-P898 HydrophobicContact CD2-CG 3.76Å; W884-P898 HydrophobicContact CE3-CB 4.47Å; W884-P898 HydrophobicContact CE3-CG 3.82Å; W884-P898 HydrophobicContact CG-CB 4.24Å; W884-P898 HydrophobicContact CG-CG 4.08Å; W884-P898 HydrophobicContact CZ2-CB 4.23Å; W884-P898 HydrophobicContact CZ3-CG 4.23Å; P898-D900 VanDerWaalsContact C-N 3.32Å; P898-E901 PolarHBondContact O-N 2.84Å; P898-Q902 PolarHBondContact O-NE2 2.83Å
899	E	86.7	Confident	76.1	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.481	33%	0.326	S	S	.	.	H	α-helix	trans	-73	-27.2	-179.3	-61.5	64.6	-135.6	0	0	111.4	Y897 Q902 R903	Y897-E899 VanDerWaalsContact CB-OE2 3.27Å; Y897-E899 WeakPolarHBondContact CB-OE2 3.38Å; Y897-E899 PolarHBondContact O-N 2.71Å; E899-Q902 PolarHBondContact O-N 3.11Å; E899-R903 WeakPolarHBondContact O-CB 3.42Å; E899-R903 PolarHBondContact O-N 3.42Å
900	D	84.9	Confident	74.6	Confident	28 Å²	28	74 Å²	74	15%	0.15	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-39.8	175.3	-63	-41.1	0	0	0	111.1	W895 R896 Y897 P898 Q902 R903 A904	W895-D900 HydrophobicContact CB-CB 3.63Å; W895-D900 VanDerWaalsContact CD1-CB 3.47Å; W895-D900 HydrophobicContact CG-CB 3.72Å; R896-D900 PolarHBondContact N-OD2 2.86Å; Y897-D900 PolarHBondContact N-OD2 3.17Å; Y897-D900 WeakPolarHBondContact O-CB 3.28Å; Y897-D900 PolarHBondContact O-N 2.77Å; Y897-D900 VanDerWaalsContact O-N 3.17Å; P898-D900 VanDerWaalsContact C-N 3.32Å; D900-Q902 VanDerWaalsContact C-N 3.27Å; D900-Q902 PolarHBondContact O-N 3.18Å; D900-R903 PolarHBondContact O-N 3.24Å; D900-A904 WeakPolarHBondContact O-CB 3.29Å; D900-A904 PolarHBondContact O-N 3.5Å
901	E	83.1	Confident	73	Confident	10 Å²	10	80.5 Å²	80.5	5%	0.047	40%	0.403	C	S	.	.	H	α-helix	trans	-60.4	-39.3	174.1	-174.2	-164.4	139.3	0	0	111.2	R865 W884 Q886 W895 P898 R905	R865-E901 VanDerWaalsContact CD-OE2 3.26Å; R865-E901 WeakPolarHBondContact CD-OE2 3.45Å; R865-E901 IonicContact CZ-OE1 3.27Å; R865-E901 VanDerWaalsContact CZ-OE1 3.24Å; R865-E901 IonicContact CZ-OE2 2.68Å; R865-E901 VanDerWaalsContact NE-CD 3.27Å; R865-E901 IonicContact NE-OE1 3.8Å; R865-E901 PolarHBondContact NE-OE1 3.45Å; R865-E901 IonicContact NE-OE2 3.95Å; R865-E901 PolarHBondContact NE-OE2 3.02Å; R865-E901 IonicContact NH2-OE1 2.97Å; R865-E901 PolarHBondContact NH2-OE1 3.1Å; W884-E901 PolarHBondContact NE1-OE2 3.09Å; Q886-E901 PolarHBondContact NE2-OE1 3.06Å; Q886-E901 VanDerWaalsContact NE2-OE1 3.1Å; Q886-E901 PolarHBondContact NE2-OE2 2.77Å; W895-E901 HydrophobicContact CD2-CB 4.4Å; W895-E901 HydrophobicContact CE3-CB 4.3Å; W895-E901 HydrophobicContact CH2-CG 4.12Å; W895-E901 HydrophobicContact CZ2-CG 4.45Å; W895-E901 HydrophobicContact CZ3-CB 4.37Å; W895-E901 HydrophobicContact CZ3-CG 4.22Å; P898-E901 PolarHBondContact O-N 2.84Å; E901-R905 WeakPolarHBondContact O-CG 3.43Å; E901-R905 PolarHBondContact O-N 3.23Å; E901-R905 IonicContact OE1-CZ 3.86Å; E901-R905 IonicContact OE1-NE 2.91Å; E901-R905 PolarHBondContact OE1-NE 3.15Å; E901-R905 IonicContact OE1-NH1 3.24Å; E901-R905 IonicContact OE1-NH2 2.71Å; E901-R905 PolarHBondContact OE1-NH2 2.81Å
902	Q	76.7	Confident	70.8	Confident	120 Å²	120	85.7 Å²	85.7	56%	0.561	43%	0.433	S	S	*	.	H	α-helix	trans	-71.3	-44.6	-179	-61.3	175.6	59.7	0	0	110.6	P898 E899 D900 A904 R905 S906	P898-Q902 PolarHBondContact O-NE2 2.83Å; E899-Q902 PolarHBondContact O-N 3.11Å; D900-Q902 VanDerWaalsContact C-N 3.27Å; D900-Q902 PolarHBondContact O-N 3.18Å; Q902-A904 VanDerWaalsContact C-N 3.33Å; Q902-A904 PolarHBondContact O-N 3.1Å; Q902-R905 PolarHBondContact O-N 2.99Å; Q902-S906 PolarHBondContact O-N 3.24Å; Q902-S906 VanDerWaalsContact O-N 3.13Å
903	R	73.7	Confident	68.5	Low	150 Å²	150	96 Å²	96	57%	0.566	48%	0.478	S	S	*	.	H	α-helix	trans	-59.9	-42.1	175.1	-164.6	175.9	-62.3	-96.5	-1	111.5	E899 D900 R905 S906 N907	E899-R903 WeakPolarHBondContact O-CB 3.42Å; E899-R903 PolarHBondContact O-N 3.42Å; D900-R903 PolarHBondContact O-N 3.24Å; R903-R905 PolarHBondContact O-N 3.18Å; R903-S906 PolarHBondContact O-N 3.3Å; R903-N907 PolarHBondContact O-OD1 2.96Å
904	A	69.3	Low	66.2	Low	36 Å²	36	101.8 Å²	101.8	30%	0.298	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-22.9	174.7	0	0	0	0	0	114	D900 Q902 H916	D900-A904 WeakPolarHBondContact O-CB 3.29Å; D900-A904 PolarHBondContact O-N 3.5Å; Q902-A904 VanDerWaalsContact C-N 3.33Å; Q902-A904 PolarHBondContact O-N 3.1Å; A904-H916 WeakPolarHBondContact CB-O 3.38Å
905	R	63.4	Low	63.9	Low	146 Å²	146	106.5 Å²	106.5	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-93.3	-21.2	178	-71	173.8	-179.7	-154.2	1	114.4	R865 E901 Q902 R903 N907	R865-R905 VanDerWaalsContact NH2-NH2 3.14Å; E901-R905 WeakPolarHBondContact O-CG 3.43Å; E901-R905 PolarHBondContact O-N 3.23Å; E901-R905 IonicContact OE1-CZ 3.86Å; E901-R905 IonicContact OE1-NE 2.91Å; E901-R905 PolarHBondContact OE1-NE 3.15Å; E901-R905 IonicContact OE1-NH1 3.24Å; E901-R905 IonicContact OE1-NH2 2.71Å; E901-R905 PolarHBondContact OE1-NH2 2.81Å; Q902-R905 PolarHBondContact O-N 2.99Å; R903-R905 PolarHBondContact O-N 3.18Å; R905-N907 VanDerWaalsContact C-N 3.33Å; R905-N907 PolarHBondContact O-N 3.14Å
906	S	57.2	Low	62.2	Low	91 Å²	91	109.1 Å²	109.1	64%	0.636	54%	0.542	S	S	*	.			trans	-82.1	-7.8	-172	-164.6	0	0	0	0	114.4	Q902 R903 N908	Q902-S906 PolarHBondContact O-N 3.24Å; Q902-S906 VanDerWaalsContact O-N 3.13Å; R903-S906 PolarHBondContact O-N 3.3Å; S906-N908 VanDerWaalsContact C-N 3.28Å; S906-N908 PolarHBondContact O-N 3.13Å
907	N	44.4	Very low	61	Low	70 Å²	70	105.8 Å²	105.8	37%	0.374	54%	0.541	S	S	.	.			trans	-82.5	60.6	-165.6	-74.1	-1.3	0	0	0	114.8	R903 R905	R903-N907 PolarHBondContact O-OD1 2.96Å; R905-N907 VanDerWaalsContact C-N 3.33Å; R905-N907 PolarHBondContact O-N 3.14Å
908	N	42.4	Very low	60.3	Low	174 Å²	174	100.8 Å²	100.8	93%	0.93	53%	0.526	S	S	*	.			trans	-91	58.7	143	-80.9	-18.5	0	0	0	108.4	S906	S906-N908 VanDerWaalsContact C-N 3.28Å; S906-N908 PolarHBondContact O-N 3.13Å
909	A	41.4	Very low	60	Low	66 Å²	66	102.6 Å²	102.6	55%	0.545	54%	0.535	S	S	.	.			trans	-141.8	115.2	-174.5	0	0	0	0	0	110.8	N911	A909-N911 VanDerWaalsContact C-N 3.31Å; A909-N911 PolarHBondContact O-N 3.28Å
910	V	47.7	Very low	59.7	Low	144 Å²	144	98 Å²	98	87%	0.873	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-19.1	-160.5	-179.2	0	0	0	0	114.8
911	N	45	Very low	59.7	Low	144 Å²	144	102.7 Å²	102.7	77%	0.77	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	11	-151.9	-67.3	-5.4	0	0	0	117.3	A909	A909-N911 VanDerWaalsContact C-N 3.31Å; A909-N911 PolarHBondContact O-N 3.28Å
912	N	41.9	Very low	60	Low	146 Å²	146	102.5 Å²	102.5	78%	0.781	53%	0.529	S	S	*	.			trans	-129.8	114.4	179.5	-94.8	-52.5	0	0	0	113.4	H914	N912-H914 VanDerWaalsContact C-N 3.25Å; N912-H914 PolarHBondContact O-N 3.19Å
913	K	41.8	Very low	60.4	Low	218 Å²	218	97.4 Å²	97.4	95%	0.948	51%	0.506	S	S	*	.			trans	-69.4	-12.5	-177.4	-83	-176.3	174.4	178.2	0	115.1	L915	K913-L915 PolarHBondContact O-N 3.14Å
914	H	41.4	Very low	61.1	Low	149 Å²	149	90.2 Å²	90.2	69%	0.69	48%	0.479	S	S	*	.			trans	-91.8	81.8	-177	-142.8	-99.1	0	0	0	111.5	N912 H916	N912-H914 VanDerWaalsContact C-N 3.25Å; N912-H914 PolarHBondContact O-N 3.19Å; H914-H916 AromaticContact ND1-CD2 3.95Å; H914-H916 AromaticContact ND1-NE2 3.47Å; H914-H916 PolarHBondContact ND1-NE2 2.83Å; H914-H916 PolarHBondContact O-CD2 2.96Å; H914-H916 VanDerWaalsContact O-CD2 3.3Å; H914-H916 PolarHBondContact O-N 2.81Å
915	L	43.6	Very low	61.7	Low	110 Å²	110	89.8 Å²	89.8	58%	0.576	47%	0.469	S	S	*	.			trans	-77.2	104.5	178.2	-177.2	64.8	0	0	0	110.5	K913 S917	K913-L915 PolarHBondContact O-N 3.14Å; L915-S917 PolarHBondContact O-N 2.81Å
916	H	55.6	Low	62.8	Low	69 Å²	69	84.4 Å²	84.4	32%	0.319	45%	0.451	S	S	.	.			trans	-68.1	77.2	177.5	-74.9	-107.2	0	0	0	112	A904 H914	A904-H916 WeakPolarHBondContact CB-O 3.38Å; H914-H916 AromaticContact ND1-CD2 3.95Å; H914-H916 AromaticContact ND1-NE2 3.47Å; H914-H916 PolarHBondContact ND1-NE2 2.83Å; H914-H916 PolarHBondContact O-CD2 2.96Å; H914-H916 VanDerWaalsContact O-CD2 3.3Å; H914-H916 PolarHBondContact O-N 2.81Å
917	S	63.9	Low	64.4	Low	73 Å²	73	80.2 Å²	80.2	51%	0.51	42%	0.421	S	S	.	.			trans	-62.2	154.1	167.7	-63.9	0	0	0	0	110.6	L915 L919	L915-S917 PolarHBondContact O-N 2.81Å; S917-L919 PolarHBondContact O-N 3.02Å
918	P	73.8	Confident	66.6	Low	42 Å²	42	77.2 Å²	77.2	27%	0.273	41%	0.405	S	S	.	.			trans	-56.3	136.2	169.4	24.9	-33.7	0	0	0	110	H893 F894 W895 G920	H893-P918 HydrophobicContact CB-CB 4.18Å; F894-P918 CarbonylContact O-C 3.51Å; W895-P918 HydrophobicContact CD2-CB 4.32Å; W895-P918 HydrophobicContact CH2-CB 4.44Å; W895-P918 HydrophobicContact CZ2-CB 3.88Å; W895-P918 HydrophobicContact CZ2-CG 4.43Å; P918-G920 PolarHBondContact O-N 3.44Å
919	L	81.3	Confident	68.7	Low	66 Å²	66	72.5 Å²	72.5	35%	0.346	38%	0.383	S	S	.	.	S	Bend	trans	-64	-32.8	-174.7	-65.4	173.9	0	0	0	111.8	Y883 F894 R896 S917	Y883-L919 HydrophobicContact CD1-CD1 4.17Å; Y883-L919 HydrophobicContact CE1-CD1 3.71Å; F894-L919 HydrophobicContact CD2-CB 4.48Å; F894-L919 PolarHBondContact O-N 3.28Å; R896-L919 HydrophobicContact CB-CD1 4.2Å; R896-L919 HydrophobicContact CG-CD1 3.61Å; S917-L919 PolarHBondContact O-N 3.02Å
920	G	80.6	Confident	70.7	Confident	6 Å²	6	73.2 Å²	73.2	6%	0.062	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	172.4	168.2	0	0	0	0	0	111.9	F894 P918	F894-G920 WeakPolarHBondContact CD1-O 3.31Å; F894-G920 VanDerWaalsContact CE1-C 3.42Å; F894-G920 VanDerWaalsContact CZ-CA 3.46Å; F894-G920 PolarHBondContact N-O 3.2Å; P918-G920 PolarHBondContact O-N 3.44Å
921	R	86.6	Confident	72.8	Confident	127 Å²	127	66.6 Å²	66.6	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	137.6	178.1	54	177.1	165.2	155.6	-8.1	112	Y891 L892	Y891-R921 HydrophobicContact CD1-CB 4.22Å; Y891-R921 HydrophobicContact CD1-CG 4.45Å; L892-R921 CarbonylContact O-C 3.5Å; L892-R921 WeakPolarHBondContact O-CA 3.27Å
922	I	89.1	Confident	75.2	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.9	170.7	-57.5	174.4	0	0	0	107.5	Y891 L892 L924 I927 H1006 L1008	Y891-I922 WeakPolarHBondContact CA-O 3.23Å; L892-I922 HydrophobicContact CB-CB 4.31Å; L892-I922 HydrophobicContact CD2-CD1 4.42Å; L892-I922 PolarHBondContact N-O 3.1Å; L892-I922 PolarHBondContact O-N 3.45Å; I922-L924 HydrophobicContact CG2-CD2 4.5Å; I922-I927 HydrophobicContact CG2-CD1 4Å; I922-H1006 HydrophobicContact CD1-CB 4.04Å; I922-H1006 WeakPolarHBondContact CD1-ND1 3.48Å; I922-L1008 HydrophobicContact CD1-CD1 4.38Å; I922-L1008 HydrophobicContact CD1-CD2 4.05Å
923	D	84.6	Confident	77.8	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.064	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.5	-178.9	-171.3	-43.4	0	0	0	109.5	Y891 R925 H926	Y891-D923 HydrophobicContact CD1-CB 3.94Å; Y891-D923 HydrophobicContact CE1-CB 3.59Å; Y891-D923 WeakPolarHBondContact CE1-OD2 3.38Å; Y891-D923 PolarHBondContact OH-OD2 2.87Å; D923-R925 PolarHBondContact O-N 2.97Å; D923-R925 VanDerWaalsContact OD1-CB 3.23Å; D923-R925 WeakPolarHBondContact OD1-CB 3.34Å; D923-R925 WeakPolarHBondContact OD1-CG 3.39Å; D923-R925 IonicContact OD1-CZ 2.81Å; D923-R925 PolarHBondContact OD1-N 3.45Å; D923-R925 VanDerWaalsContact OD1-N 3.1Å; D923-R925 IonicContact OD1-NE 3.9Å; D923-R925 PolarHBondContact OD1-NE 3.07Å; D923-R925 IonicContact OD1-NH2 3.6Å; D923-R925 IonicContact OD2-CZ 3.54Å; D923-R925 IonicContact OD2-NE 2.72Å; D923-R925 PolarHBondContact OD2-NE 3.24Å; D923-R925 IonicContact OD2-NH2 3.36Å; D923-R925 PolarHBondContact OD2-NH2 3.47Å; D923-H926 PolarHBondContact O-N 2.89Å; D923-H926 IonicContact OD1-CE1 3.84Å; D923-H926 IonicContact OD1-ND1 2.97Å; D923-H926 PolarHBondContact OD1-ND1 2.9Å; D923-H926 IonicContact OD2-CE1 3.53Å; D923-H926 PolarHBondContact OD2-CE1 2.84Å; D923-H926 IonicContact OD2-ND1 3.37Å; D923-H926 PolarHBondContact OD2-ND1 3.01Å
924	L	88.4	Confident	80.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-72.2	-16.2	-170.9	-58.5	179.4	0	0	0	112.8	L887 R888 D890 I922 H926 I927 L1023 C1026 L1030	L887-L924 HydrophobicContact CD1-CD1 3.86Å; R888-L924 WeakPolarHBondContact O-CD1 3.37Å; D890-L924 WeakPolarHBondContact O-CB 3.34Å; D890-L924 PolarHBondContact O-N 2.9Å; I922-L924 HydrophobicContact CG2-CD2 4.5Å; L924-H926 PolarHBondContact O-N 3.34Å; L924-I927 HydrophobicContact CD2-CG1 4.22Å; L924-I927 PolarHBondContact O-N 3.18Å; L924-L1023 HydrophobicContact CD2-CD2 4.05Å; L924-C1026 HydrophobicContact CD1-CB 3.65Å; L924-L1030 HydrophobicContact CB-CD1 3.6Å
925	R	82.6	Confident	83	Confident	26 Å²	26	42.3 Å²	42.3	10%	0.098	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-70	-19.4	176.7	-50.5	173.5	-68.3	167.4	1.9	112.5	L797 Y891 D923 L1030 M1034 H1037	L797-R925 PolarHBondContact O-NH1 2.98Å; Y891-R925 PolarHBondContact OH-NH2 3.37Å; D923-R925 PolarHBondContact O-N 2.97Å; D923-R925 VanDerWaalsContact OD1-CB 3.23Å; D923-R925 WeakPolarHBondContact OD1-CB 3.34Å; D923-R925 WeakPolarHBondContact OD1-CG 3.39Å; D923-R925 IonicContact OD1-CZ 2.81Å; D923-R925 PolarHBondContact OD1-N 3.45Å; D923-R925 VanDerWaalsContact OD1-N 3.1Å; D923-R925 IonicContact OD1-NE 3.9Å; D923-R925 PolarHBondContact OD1-NE 3.07Å; D923-R925 IonicContact OD1-NH2 3.6Å; D923-R925 IonicContact OD2-CZ 3.54Å; D923-R925 IonicContact OD2-NE 2.72Å; D923-R925 PolarHBondContact OD2-NE 3.24Å; D923-R925 IonicContact OD2-NH2 3.36Å; D923-R925 PolarHBondContact OD2-NH2 3.47Å; R925-L1030 HydrophobicContact CG-CD1 4.28Å; R925-L1030 HydrophobicContact CG-CD2 4.14Å; R925-M1034 HydrophobicContact CB-SD 4.22Å; R925-M1034 HydrophobicContact CG-CE 4.04Å; R925-M1034 HydrophobicContact CG-SD 4.15Å; R925-H1037 PolarHBondContact O-CD2 3.41Å; R925-H1037 VanDerWaalsContact O-CD2 3.29Å; R925-H1037 PolarHBondContact O-NE2 3.01Å
926	H	86.4	Confident	85.4	Confident	34 Å²	34	39.7 Å²	39.7	16%	0.157	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-97.8	-3.3	-178.4	-63	79.2	0	0	0	112.5	D923 L924 S950 L951	D923-H926 PolarHBondContact O-N 2.89Å; D923-H926 IonicContact OD1-CE1 3.84Å; D923-H926 IonicContact OD1-ND1 2.97Å; D923-H926 PolarHBondContact OD1-ND1 2.9Å; D923-H926 IonicContact OD2-CE1 3.53Å; D923-H926 PolarHBondContact OD2-CE1 2.84Å; D923-H926 IonicContact OD2-ND1 3.37Å; D923-H926 PolarHBondContact OD2-ND1 3.01Å; L924-H926 PolarHBondContact O-N 3.34Å; H926-S950 CarbonylContact O-C 3.6Å; H926-S950 WeakPolarHBondContact O-CA 3.31Å; H926-S950 WeakPolarHBondContact O-CB 3.28Å; H926-L951 PolarHBondContact CD2-O 2.9Å; H926-L951 PolarHBondContact O-N 2.94Å
927	I	90.1	Very high	87.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-77.1	127.3	-175.4	-58.7	-73.5	0	0	0	110.1	I922 L924 M948 R949 I1027 F1038	I922-I927 HydrophobicContact CG2-CD1 4Å; L924-I927 HydrophobicContact CD2-CG1 4.22Å; L924-I927 PolarHBondContact O-N 3.18Å; I927-M948 HydrophobicContact CD1-CB 4.13Å; I927-M948 HydrophobicContact CD1-SD 4.23Å; I927-R949 WeakPolarHBondContact CA-O 3.4Å; I927-I1027 HydrophobicContact CB-CD1 4.24Å; I927-I1027 HydrophobicContact CG2-CD1 3.7Å; I927-I1027 HydrophobicContact CG2-CG1 4.48Å; I927-F1038 WeakPolarHBondContact O-CE1 3.45Å
928	V	90	Very high	88.6	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.048	26%	0.261	C	S	.	.			trans	-105.1	163.3	-178.6	-75.7	0	0	0	0	112.1	G931 R949 L951 L1041 D1045	V928-G931 PolarHBondContact O-N 2.97Å; V928-R949 HydrophobicContact CG2-CG 3.94Å; V928-R949 PolarHBondContact N-O 3.28Å; V928-R949 VanDerWaalsContact N-O 3.14Å; V928-L951 HydrophobicContact CG1-CD1 3.97Å; V928-L951 HydrophobicContact CG1-CG 3.92Å; V928-L951 HydrophobicContact CG2-CD1 4.33Å; V928-L951 HydrophobicContact CG2-CD2 4.34Å; V928-L951 HydrophobicContact CG2-CG 3.83Å; V928-L1041 HydrophobicContact CG1-CD2 3.52Å; V928-L1041 HydrophobicContact CG1-CG 3.54Å; V928-D1045 HydrophobicContact CG1-CB 4.31Å
929	T	86	Confident	89.4	Confident	75 Å²	75	51.1 Å²	51.1	46%	0.46	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	136.9	178.3	29.1	0	0	0	0	111.6	R949	T929-R949 PolarHBondContact O-NE 2.85Å; T929-R949 PolarHBondContact O-NH2 3.39Å
930	P	85	Confident	90	Very high	80 Å²	80	48.7 Å²	48.7	52%	0.519	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.6	12.2	14.3	36.5	-38.8	0	0	0	116	V933	P930-V933 HydrophobicContact CB-CG1 3.77Å; P930-V933 HydrophobicContact CG-CG1 3.67Å; P930-V933 HydrophobicContact CG-CG2 4.02Å
931	G	91.4	Very high	90.7	Very high	5 Å²	5	53 Å²	53	5%	0.052	29%	0.29	C	S	.	.			trans	78.1	-141.8	-174.5	0	0	0	0	0	111.7	V928	V928-G931 PolarHBondContact O-N 2.97Å
932	A	95.3	Very high	91.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	29%	0.288	C	S	.	.	S	Bend	trans	-82.3	120.2	174.3	0	0	0	0	0	110.9	I946 M948 L1023 N1024	A932-I946 HydrophobicContact CB-CG2 4.06Å; A932-M948 HydrophobicContact CB-CG 3.82Å; A932-M948 HydrophobicContact CB-SD 3.9Å; A932-L1023 HydrophobicContact CB-CB 3.65Å; A932-L1023 HydrophobicContact CB-CD1 3.99Å; A932-L1023 HydrophobicContact CB-CG 4.46Å; A932-N1024 WeakPolarHBondContact CB-OD1 3.09Å; A932-N1024 PolarHBondContact N-OD1 2.97Å; A932-N1024 PolarHBondContact O-ND2 2.97Å
933	V	96.5	Very high	91.3	Very high	41 Å²	41	55.6 Å²	55.6	25%	0.248	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	162.7	178.9	-65.9	0	0	0	0	111.2	P930 A935 I946 Y947	P930-V933 HydrophobicContact CB-CG1 3.77Å; P930-V933 HydrophobicContact CG-CG1 3.67Å; P930-V933 HydrophobicContact CG-CG2 4.02Å; V933-A935 PolarHBondContact O-N 2.87Å; V933-I946 CarbonylContact O-C 3.59Å; V933-I946 VanDerWaalsContact O-CA 3.31Å; V933-I946 WeakPolarHBondContact O-CA 3.27Å; V933-I946 WeakPolarHBondContact O-CG2 3.4Å; V933-Y947 HydrophobicContact CG2-CD1 4.08Å; V933-Y947 PolarHBondContact N-O 3.33Å; V933-Y947 PolarHBondContact O-N 3.37Å
934	I	96.6	Very high	91.8	Very high	93 Å²	93	56.7 Å²	56.7	48%	0.477	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	130.8	168.1	-54.1	179.3	0	0	0	108.1	P936 I1020	I934-P936 WeakPolarHBondContact O-CD 3.38Å; I934-I1020 HydrophobicContact CG1-CD1 3.66Å
935	A	95.9	Very high	92.3	Very high	13 Å²	13	56.8 Å²	56.8	11%	0.107	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.1	127.3	-177.3	0	0	0	0	0	111.6	V933 C940 T945 L1007	V933-A935 PolarHBondContact O-N 2.87Å; A935-C940 HydrophobicContact CB-CB 4.07Å; A935-T945 HydrophobicContact CB-CG2 3.75Å; A935-T945 WeakPolarHBondContact CB-O 3.38Å; A935-T945 PolarHBondContact N-O 3.2Å; A935-L1007 HydrophobicContact CB-CD2 4.17Å
936	P	94.5	Very high	93	Very high	54 Å²	54	55.5 Å²	55.5	35%	0.351	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-60.3	139.7	172.1	-23.9	34.2	0	0	0	111.4	I934 S938 I939 C940	I934-P936 WeakPolarHBondContact O-CD 3.38Å; P936-S938 PolarHBondContact O-N 2.74Å; P936-S938 VanDerWaalsContact O-N 3.08Å; P936-I939 HydrophobicContact CB-CG1 4.38Å; P936-I939 HydrophobicContact CG-CD1 4.14Å; P936-I939 PolarHBondContact O-N 3.46Å; P936-C940 PolarHBondContact O-N 2.72Å
937	R	93.3	Very high	93.4	Very high	229 Å²	229	55 Å²	55	86%	0.864	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	177.6	-78.7	-173.6	173.7	-178.8	-2.7	114.2	I939 C940	R937-I939 VanDerWaalsContact C-N 3.33Å; R937-C940 WeakPolarHBondContact CA-O 3.26Å
938	S	92.6	Very high	93.7	Very high	117 Å²	117	55 Å²	55	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19	171.9	48.2	0	0	0	0	114.1	P936	P936-S938 PolarHBondContact O-N 2.74Å; P936-S938 VanDerWaalsContact O-N 3.08Å
939	I	91.1	Very high	93.8	Very high	79 Å²	79	56.1 Å²	56.1	41%	0.405	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-42	175.6	-58.5	-178.1	0	0	0	110.1	P936 R937 Y947 L1007	P936-I939 HydrophobicContact CB-CG1 4.38Å; P936-I939 HydrophobicContact CG-CD1 4.14Å; P936-I939 PolarHBondContact O-N 3.46Å; R937-I939 VanDerWaalsContact C-N 3.33Å; I939-Y947 HydrophobicContact CD1-CD1 4.39Å; I939-Y947 HydrophobicContact CD1-CE1 4.07Å; I939-Y947 HydrophobicContact CD1-CE2 4.26Å; I939-Y947 HydrophobicContact CG2-CD2 4.39Å; I939-Y947 HydrophobicContact CG2-CE2 4.39Å; I939-L1007 HydrophobicContact CG2-CD2 4.26Å
940	C	93.8	Very high	94.1	Very high	14 Å²	14	52.6 Å²	52.6	10%	0.095	30%	0.296	C	S	.	.			trans	-144.5	125	-177.8	-166.6	0	0	0	0	112.5	A935 P936 R937 R942 T945 L1007	A935-C940 HydrophobicContact CB-CB 4.07Å; P936-C940 PolarHBondContact O-N 2.72Å; R937-C940 WeakPolarHBondContact CA-O 3.26Å; C940-R942 VanDerWaalsContact C-N 3.35Å; C940-T945 HydrophobicContact CB-CG2 4.39Å; C940-L1007 HydrophobicContact CB-CD1 4.4Å; C940-L1007 HydrophobicContact CB-CD2 4.18Å
941	A	94.2	Very high	94.3	Very high	97 Å²	97	48.8 Å²	48.8	80%	0.802	27%	0.271	S	S	*	.			trans	-77.7	-18	174.5	0	0	0	0	0	113.6	A943	A941-A943 PolarHBondContact O-N 3.06Å
942	R	94.9	Very high	93.8	Very high	113 Å²	113	51 Å²	51	43%	0.426	28%	0.278	S	S	.	.	S	Bend	trans	-70	124.7	-175.3	-171.8	-179.6	-179.6	100.5	8.4	110.8	W880 C940 T945 C1009	W880-R942 HydrophobicContact CZ2-CB 4.13Å; C940-R942 VanDerWaalsContact C-N 3.35Å; R942-T945 WeakPolarHBondContact O-CB 3.42Å; R942-T945 PolarHBondContact O-OG1 3.33Å; R942-C1009 PolarHBondContact NE-SG 3.04Å
943	A	94.3	Very high	93	Very high	74 Å²	74	55.5 Å²	55.5	61%	0.612	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	159.3	174.2	0	0	0	0	0	112	A941 T945 C1009	A941-A943 PolarHBondContact O-N 3.06Å; A943-T945 PolarHBondContact O-N 2.77Å; A943-T945 PolarHBondContact O-OG1 3.04Å; A943-C1009 PolarHBondContact O-SG 3.42Å
944	N	95.8	Very high	91.7	Very high	35 Å²	35	54.5 Å²	54.5	19%	0.187	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	13.1	178.4	-58.2	-18.4	0	0	0	116.5	A1010 D1011 R1016	N944-A1010 WeakPolarHBondContact CB-O 3.32Å; N944-A1010 PolarHBondContact O-N 3.33Å; N944-D1011 PolarHBondContact ND2-O 2.97Å; N944-R1016 PolarHBondContact OD1-NH1 3.34Å
945	T	97.2	Very high	90.4	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.7	176.9	-51	0	0	0	0	112.6	W880 A935 C940 R942 A943 L1007 L1008	W880-T945 HydrophobicContact CH2-CG2 3.8Å; A935-T945 HydrophobicContact CB-CG2 3.75Å; A935-T945 WeakPolarHBondContact CB-O 3.38Å; A935-T945 PolarHBondContact N-O 3.2Å; C940-T945 HydrophobicContact CB-CG2 4.39Å; R942-T945 WeakPolarHBondContact O-CB 3.42Å; R942-T945 PolarHBondContact O-OG1 3.33Å; A943-T945 PolarHBondContact O-N 2.77Å; A943-T945 PolarHBondContact O-OG1 3.04Å; T945-L1007 HydrophobicContact CG2-CB 4.01Å; T945-L1007 HydrophobicContact CG2-CD2 3.85Å; T945-L1008 CarbonylContact C-O 3.6Å
946	I	97.3	Very high	89.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.1	166.6	-53.6	176	0	0	0	107.9	M868 A932 V933 L1007 L1008 R1016 W1019 I1020 L1023	M868-I946 HydrophobicContact CE-CD1 3.86Å; A932-I946 HydrophobicContact CB-CG2 4.06Å; V933-I946 CarbonylContact O-C 3.59Å; V933-I946 VanDerWaalsContact O-CA 3.31Å; V933-I946 WeakPolarHBondContact O-CA 3.27Å; V933-I946 WeakPolarHBondContact O-CG2 3.4Å; I946-L1007 WeakPolarHBondContact O-CA 3.39Å; I946-L1008 HydrophobicContact CB-CB 4.39Å; I946-L1008 WeakPolarHBondContact CB-O 3.45Å; I946-L1008 PolarHBondContact N-O 3.13Å; I946-L1008 PolarHBondContact O-N 2.89Å; I946-R1016 HydrophobicContact CD1-CG 4.2Å; I946-R1016 HydrophobicContact CG1-CG 3.62Å; I946-W1019 HydrophobicContact CD1-CB 3.52Å; I946-I1020 HydrophobicContact CD1-CG1 3.83Å; I946-I1020 HydrophobicContact CG1-CD1 4.18Å; I946-I1020 HydrophobicContact CG1-CG1 3.85Å; I946-I1020 HydrophobicContact CG2-CG1 3.96Å; I946-L1023 HydrophobicContact CD1-CD1 4.39Å; I946-L1023 HydrophobicContact CG2-CD1 4.46Å
947	Y	96.5	Very high	87.7	Confident	23 Å²	23	57.7 Å²	57.7	9%	0.09	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.1	170.1	174.4	-114.6	0	0	0	110.2	V933 I939 R949 K1005 H1006 L1007	V933-Y947 HydrophobicContact CG2-CD1 4.08Å; V933-Y947 PolarHBondContact N-O 3.33Å; V933-Y947 PolarHBondContact O-N 3.37Å; I939-Y947 HydrophobicContact CD1-CD1 4.39Å; I939-Y947 HydrophobicContact CD1-CE1 4.07Å; I939-Y947 HydrophobicContact CD1-CE2 4.26Å; I939-Y947 HydrophobicContact CG2-CD2 4.39Å; I939-Y947 HydrophobicContact CG2-CE2 4.39Å; Y947-R949 HydrophobicContact CE1-CG 4.38Å; Y947-K1005 HydrophobicContact CE2-CB 4.12Å; Y947-K1005 HydrophobicContact CE2-CD 4.47Å; Y947-K1005 HydrophobicContact CE2-CG 4.01Å; Y947-H1006 WeakPolarHBondContact CA-O 3.43Å; Y947-L1007 HydrophobicContact CD2-CD2 3.76Å; Y947-L1007 HydrophobicContact CG-CD2 4.41Å
948	M	95.6	Very high	86.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.8	166	-74.2	-177.2	-65.3	0	0	109.1	I927 A932 H1006 L1008 L1023	I927-M948 HydrophobicContact CD1-CB 4.13Å; I927-M948 HydrophobicContact CD1-SD 4.23Å; A932-M948 HydrophobicContact CB-CG 3.82Å; A932-M948 HydrophobicContact CB-SD 3.9Å; M948-H1006 HydrophobicContact CB-CB 4.18Å; M948-H1006 PolarHBondContact N-O 3.26Å; M948-H1006 PolarHBondContact O-N 3.11Å; M948-L1008 HydrophobicContact CE-CD1 3.54Å; M948-L1023 HydrophobicContact CE-CD1 3.91Å; M948-L1023 HydrophobicContact CE-CD2 4.07Å; M948-L1023 HydrophobicContact SD-CD1 4.09Å; M948-L1023 HydrophobicContact SD-CD2 4.11Å
949	R	92.7	Very high	84.8	Confident	33 Å²	33	42.8 Å²	42.8	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.4	173.8	48.8	169.2	-152.5	120.3	6.7	110.3	I927 V928 T929 Y947 E1003 Q1004 D1045	I927-R949 WeakPolarHBondContact CA-O 3.4Å; V928-R949 HydrophobicContact CG2-CG 3.94Å; V928-R949 PolarHBondContact N-O 3.28Å; V928-R949 VanDerWaalsContact N-O 3.14Å; T929-R949 PolarHBondContact O-NE 2.85Å; T929-R949 PolarHBondContact O-NH2 3.39Å; Y947-R949 HydrophobicContact CE1-CG 4.38Å; R949-E1003 HydrophobicContact CB-CG 4.42Å; R949-E1003 VanDerWaalsContact CD-OE1 3.3Å; R949-E1003 WeakPolarHBondContact CD-OE1 3.29Å; R949-E1003 IonicContact NH1-OE1 3.66Å; R949-E1003 PolarHBondContact NH1-OE1 2.93Å; R949-Q1004 WeakPolarHBondContact CA-O 3.44Å; R949-D1045 IonicContact CZ-OD1 2.73Å; R949-D1045 IonicContact CZ-OD2 3.41Å; R949-D1045 IonicContact NH1-OD1 3.44Å; R949-D1045 PolarHBondContact NH1-OD1 3.31Å; R949-D1045 IonicContact NH2-OD1 2.65Å; R949-D1045 PolarHBondContact NH2-OD1 3.18Å; R949-D1045 IonicContact NH2-OD2 3.43Å; R949-D1045 PolarHBondContact NH2-OD2 3.35Å
950	S	91.2	Very high	82.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.9	178.6	62.5	0	0	0	0	111.7	H926 Q1004 H1006	H926-S950 CarbonylContact O-C 3.6Å; H926-S950 WeakPolarHBondContact O-CA 3.31Å; H926-S950 WeakPolarHBondContact O-CB 3.28Å; S950-Q1004 PolarHBondContact N-O 3.01Å; S950-Q1004 PolarHBondContact O-N 3.4Å; S950-H1006 PolarHBondContact OG-NE2 3.46Å
951	L	88.8	Confident	80.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	143.8	175.3	-54.5	-171.4	0	0	0	111.1	H926 V928 W1001 L1002 E1003 L1041 D1045 F1050	H926-L951 PolarHBondContact CD2-O 2.9Å; H926-L951 PolarHBondContact O-N 2.94Å; V928-L951 HydrophobicContact CG1-CD1 3.97Å; V928-L951 HydrophobicContact CG1-CG 3.92Å; V928-L951 HydrophobicContact CG2-CD1 4.33Å; V928-L951 HydrophobicContact CG2-CD2 4.34Å; V928-L951 HydrophobicContact CG2-CG 3.83Å; L951-W1001 HydrophobicContact CB-CE3 4.11Å; L951-W1001 HydrophobicContact CB-CZ3 4.29Å; L951-L1002 WeakPolarHBondContact CA-O 3.32Å; L951-E1003 HydrophobicContact CD2-CB 3.75Å; L951-E1003 HydrophobicContact CD2-CG 4.05Å; L951-L1041 HydrophobicContact CB-CD1 4.29Å; L951-D1045 HydrophobicContact CD1-CB 3.85Å; L951-F1050 HydrophobicContact CD1-CE2 3.92Å; L951-F1050 HydrophobicContact CD1-CZ 3.85Å; L951-F1050 HydrophobicContact CD2-CD2 4.29Å; L951-F1050 HydrophobicContact CD2-CE1 4.11Å; L951-F1050 HydrophobicContact CD2-CE2 3.59Å; L951-F1050 HydrophobicContact CD2-CZ 3.49Å; L951-F1050 VanDerWaalsContact CD2-CZ 3.49Å; L951-F1050 HydrophobicContact CG-CE2 4.41Å; L951-F1050 HydrophobicContact CG-CZ 4.23Å
952	R	81.3	Confident	78.6	Confident	50 Å²	50	39.9 Å²	39.9	19%	0.189	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.2	175.1	-50.4	178.5	-165.2	-98.8	7.8	109.2	W1001 L1002	R952-W1001 CarbonylContact O-C 3.57Å; R952-W1001 WeakPolarHBondContact O-CA 3.32Å; R952-L1002 PolarHBondContact N-O 3.25Å; R952-L1002 PolarHBondContact O-N 3.32Å
953	E	78.2	Confident	76.3	Confident	97 Å²	97	38.1 Å²	38.1	45%	0.453	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.9	164	179.4	155.4	-153.2	0	0	109.6	R1000 W1001	E953-R1000 CarbonylContact C-O 3.59Å; E953-R1000 VanDerWaalsContact CA-O 3.31Å; E953-R1000 WeakPolarHBondContact CA-O 3.45Å; E953-R1000 IonicContact OE1-CZ 3.83Å; E953-R1000 IonicContact OE1-NE 3.3Å; E953-R1000 PolarHBondContact OE1-NE 3.11Å; E953-R1000 IonicContact OE1-NH2 2.95Å; E953-R1000 PolarHBondContact OE1-NH2 3.19Å; E953-W1001 HydrophobicContact CB-CD2 4.33Å; E953-W1001 HydrophobicContact CB-CE3 4.4Å; E953-W1001 HydrophobicContact CB-CH2 4.19Å; E953-W1001 HydrophobicContact CB-CZ2 4.11Å; E953-W1001 HydrophobicContact CB-CZ3 4.33Å
954	I	70.7	Confident	73.9	Confident	20 Å²	20	39.7 Å²	39.7	10%	0.103	22%	0.219	C	C	.	.			trans	-141.6	143.1	-177.4	-65.9	-166.6	0	0	0	108.5	C958 L959 R1000 L1002	I954-C958 HydrophobicContact CG2-CB 3.8Å; I954-L959 HydrophobicContact CG2-CD2 4.41Å; I954-L959 HydrophobicContact CG2-CG 4.16Å; I954-R1000 PolarHBondContact N-O 2.89Å; I954-L1002 HydrophobicContact CD1-CB 3.61Å; I954-L1002 HydrophobicContact CD1-CD2 3.55Å; I954-L1002 HydrophobicContact CD1-CG 4.14Å; I954-L1002 HydrophobicContact CG1-CB 4.23Å
955	D	68.3	Low	71.5	Confident	74 Å²	74	43.1 Å²	43.1	40%	0.396	24%	0.237	S	C	.	.			trans	-64.8	123.3	168.6	177.2	-3.7	0	0	0	109	N957 C958	D955-N957 VanDerWaalsContact CG-ND2 3.31Å; D955-N957 PolarHBondContact O-N 3.19Å; D955-N957 WeakPolarHBondContact OD1-CB 3.41Å; D955-N957 PolarHBondContact OD1-N 3.33Å; D955-N957 PolarHBondContact OD1-ND2 2.88Å; D955-N957 PolarHBondContact OD2-ND2 3.15Å; D955-C958 VanDerWaalsContact O-CB 3.31Å; D955-C958 WeakPolarHBondContact O-CB 3.21Å; D955-C958 PolarHBondContact O-N 3.37Å
956	P	67.8	Low	69	Low	58 Å²	58	47 Å²	47	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-54.2	-24	178.4	21.1	-33.9	0	0	0	113.7	C958 L959 S960	P956-C958 PolarHBondContact O-N 3.21Å; P956-L959 PolarHBondContact O-N 3.24Å; P956-S960 PolarHBondContact O-N 2.91Å
957	N	66.2	Low	66.4	Low	95 Å²	95	53.2 Å²	53.2	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-27.7	171.4	-64.2	-63.5	0	0	0	113.7	D955 L959 S960	D955-N957 VanDerWaalsContact CG-ND2 3.31Å; D955-N957 PolarHBondContact O-N 3.19Å; D955-N957 WeakPolarHBondContact OD1-CB 3.41Å; D955-N957 PolarHBondContact OD1-N 3.33Å; D955-N957 PolarHBondContact OD1-ND2 2.88Å; D955-N957 PolarHBondContact OD2-ND2 3.15Å; N957-L959 VanDerWaalsContact C-N 3.33Å; N957-S960 PolarHBondContact O-OG 3.43Å; N957-S960 VanDerWaalsContact O-OG 3.08Å
958	C	62.4	Low	63.8	Low	31 Å²	31	58.5 Å²	58.5	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-74.1	-24.4	177.5	-64.9	0	0	0	0	112.6	I954 D955 P956 L1078	I954-C958 HydrophobicContact CG2-CB 3.8Å; D955-C958 VanDerWaalsContact O-CB 3.31Å; D955-C958 WeakPolarHBondContact O-CB 3.21Å; D955-C958 PolarHBondContact O-N 3.37Å; P956-C958 PolarHBondContact O-N 3.21Å; C958-L1078 HydrophobicContact CB-CD2 4.21Å
959	L	62.3	Low	61.4	Low	2 Å²	2	65.2 Å²	65.2	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-90.7	-30	179	-60	-178	0	0	0	112.2	I954 P956 N957 A961 S962 A995 Y999 L1002 V1054 L1058	I954-L959 HydrophobicContact CG2-CD2 4.41Å; I954-L959 HydrophobicContact CG2-CG 4.16Å; P956-L959 PolarHBondContact O-N 3.24Å; N957-L959 VanDerWaalsContact C-N 3.33Å; L959-A961 VanDerWaalsContact C-N 3.3Å; L959-A961 PolarHBondContact O-N 3.34Å; L959-S962 WeakPolarHBondContact O-CB 3.45Å; L959-S962 PolarHBondContact O-N 3.15Å; L959-S962 PolarHBondContact O-OG 2.69Å; L959-A995 HydrophobicContact CD1-CB 3.93Å; L959-Y999 HydrophobicContact CB-CD1 4.16Å; L959-Y999 HydrophobicContact CD1-CD1 3.86Å; L959-Y999 WeakPolarHBondContact CD1-O 3.47Å; L959-L1002 HydrophobicContact CD2-CD1 4.38Å; L959-V1054 HydrophobicContact CD2-CG1 4.22Å; L959-L1058 HydrophobicContact CD2-CD2 3.74Å
960	S	50.9	Low	59	Low	57 Å²	57	70.1 Å²	70.1	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-29.5	-178.9	61.4	0	0	0	0	114.1	P956 N957 S962 I963	P956-S960 PolarHBondContact O-N 2.91Å; N957-S960 PolarHBondContact O-OG 3.43Å; N957-S960 VanDerWaalsContact O-OG 3.08Å; S960-S962 PolarHBondContact O-N 2.83Å; S960-I963 PolarHBondContact O-N 3.37Å
961	A	47.5	Very low	56.4	Low	47 Å²	47	75.6 Å²	75.6	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-25.7	171.5	0	0	0	0	0	113	L959 L1076	L959-A961 VanDerWaalsContact C-N 3.3Å; L959-A961 PolarHBondContact O-N 3.34Å; A961-L1076 HydrophobicContact CB-CD1 4.41Å
962	S	49.8	Very low	54	Low	25 Å²	25	83.7 Å²	83.7	18%	0.175	46%	0.462	C	S	.	.	H	α-helix	trans	-87.3	-8.6	-172.8	80.4	0	0	0	0	114.7	L959 S960 S1055	L959-S962 WeakPolarHBondContact O-CB 3.45Å; L959-S962 PolarHBondContact O-N 3.15Å; L959-S962 PolarHBondContact O-OG 2.69Å; S960-S962 PolarHBondContact O-N 2.83Å; S962-S1055 WeakPolarHBondContact O-CB 3.41Å
963	I	47.8	Very low	52	Low	76 Å²	76	85.9 Å²	85.9	39%	0.39	49%	0.485	S	S	.	.	H	α-helix	trans	-106.7	-27.6	-171.1	-63.7	174.4	0	0	0	112.2	S960 Y999	S960-I963 PolarHBondContact O-N 3.37Å; I963-Y999 HydrophobicContact CD1-CE1 3.84Å
964	N	43.9	Very low	49.8	Very low	106 Å²	106	89.8 Å²	89.8	57%	0.567	51%	0.509	S	S	*	.	H	α-helix	trans	-90.6	-29.3	-167.6	-70.3	-9.8	0	0	0	115.1	N966 N967	N964-N966 PolarHBondContact O-N 3.41Å; N964-N967 PolarHBondContact O-N 3.01Å
965	D	45.2	Very low	48.4	Very low	108 Å²	108	93.8 Å²	93.8	58%	0.578	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20	-173.7	-74.5	-0.2	0	0	0	114.1	N967	D965-N967 VanDerWaalsContact C-N 3.31Å; D965-N967 PolarHBondContact O-N 3.48Å
966	N	44.7	Very low	46.6	Very low	84 Å²	84	97.1 Å²	97.1	45%	0.449	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-16.7	178.7	-93.7	12.6	0	0	0	114.7	N964 N988	N964-N966 PolarHBondContact O-N 3.41Å; N966-N988 PolarHBondContact ND2-ND2 3.33Å; N966-N988 VanDerWaalsContact ND2-ND2 3.13Å; N966-N988 PolarHBondContact OD1-ND2 3.23Å
967	N	43.7	Very low	45.3	Very low	129 Å²	129	101 Å²	101	69%	0.69	59%	0.585	S	S	*	*	S	Bend	trans	-93.7	-21	-171.9	-77.1	-9.5	0	0	0	114.8	N964 D965	N964-N967 PolarHBondContact O-N 3.01Å; D965-N967 VanDerWaalsContact C-N 3.31Å; D965-N967 PolarHBondContact O-N 3.48Å
968	N	41.1	Very low	43.7	Very low	135 Å²	135	102.2 Å²	102.2	72%	0.722	60%	0.601	S	S	*	*	S	Bend	trans	-95.3	-9.3	-172	-79.3	5.6	0	0	0	115.2
969	N	44.9	Very low	42.1	Very low	141 Å²	141	104 Å²	104	75%	0.754	63%	0.625	S	S	*	*	S	Bend	trans	-105.4	15.3	-170.5	-71.2	-22.9	0	0	0	115
970	N	41.4	Very low	40.9	Very low	137 Å²	137	111.1 Å²	111.1	73%	0.733	66%	0.661	S	S	*	*			trans	-126.7	13.8	-173.9	-106.3	-24.9	0	0	0	115.3	N972	N970-N972 VanDerWaalsContact C-N 3.33Å; N970-N972 PolarHBondContact O-N 3.46Å; N970-N972 VanDerWaalsContact O-N 3.12Å
971	T	37.6	Very low	39.9	Very low	116 Å²	116	116 Å²	116	71%	0.712	69%	0.688	S	S	*	*			trans	-85.2	65.7	175.3	53.1	0	0	0	0	112
972	N	37.9	Very low	39.1	Very low	169 Å²	169	117.7 Å²	117.7	90%	0.904	70%	0.697	S	S	*	*			trans	-176.4	71.3	158	-98.1	-25.7	0	0	0	114	N970	N970-N972 VanDerWaalsContact C-N 3.33Å; N970-N972 PolarHBondContact O-N 3.46Å; N970-N972 VanDerWaalsContact O-N 3.12Å
973	S	39.3	Very low	38.5	Very low	96 Å²	96	126.9 Å²	126.9	67%	0.671	73%	0.734	S	S	*	*			trans	-156.4	98.1	158.7	60.8	0	0	0	0	112.4	S975	S973-S975 PolarHBondContact O-N 2.74Å
974	N	33.1	Very low	38	Very low	179 Å²	179	132.4 Å²	132.4	96%	0.957	76%	0.755	S	S	*	*			trans	-73.8	105.6	172.6	-75.1	-25.5	0	0	0	110.4
975	S	41.1	Very low	38.1	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.76	S	S	*	*			trans	-142.8	121.7	161.4	61.3	0	0	0	0	111	S973	S973-S975 PolarHBondContact O-N 2.74Å
976	T	30.6	Very low	38.4	Very low	144 Å²	144	134.5 Å²	134.5	88%	0.883	76%	0.759	S	S	*	*			trans	-102.8	98.5	-172.9	49.9	0	0	0	0	111.3
977	T	39.9	Very low	38.9	Very low	139 Å²	139	135.1 Å²	135.1	85%	0.853	77%	0.77	S	S	*	*			trans	-140.3	134	164.4	-38.2	0	0	0	0	110.8
978	S	32.2	Very low	40.2	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	75%	0.748	S	S	*	*			trans	-85.5	148.9	178.8	48.8	0	0	0	0	112.2
979	G	29.5	Very low	42.1	Very low	68 Å²	68	126.2 Å²	126.2	70%	0.701	72%	0.721	S	S	*	*			trans	154.8	136	162.2	0	0	0	0	0	116.7
980	I	36.2	Very low	44	Very low	152 Å²	152	119.7 Å²	119.7	78%	0.779	69%	0.687	S	S	*	*			trans	60	98.7	156.2	-48.8	178.5	0	0	0	116	S982	I980-S982 VanDerWaalsContact C-N 3.34Å; I980-S982 PolarHBondContact O-N 3.23Å
981	V	30.8	Very low	46.2	Very low	159 Å²	159	116.8 Å²	116.8	96%	0.964	67%	0.671	S	S	*	*			trans	-61.2	93.9	162.4	179.9	0	0	0	0	109.2
982	S	30.9	Very low	48.6	Very low	82 Å²	82	111.7 Å²	111.7	57%	0.573	64%	0.639	S	S	*	*			trans	-111.1	129	175.6	54	0	0	0	0	109.4	I980 K984	I980-S982 VanDerWaalsContact C-N 3.34Å; I980-S982 PolarHBondContact O-N 3.23Å; S982-K984 PolarHBondContact O-N 2.87Å
983	K	37	Very low	51	Low	219 Å²	219	103.7 Å²	103.7	95%	0.952	60%	0.596	S	S	*	*			trans	-79.2	51.8	-173.6	-158.3	172.9	-173.6	174.2	0	111.4	R985	K983-R985 PolarHBondContact O-N 2.93Å
984	K	37.1	Very low	53.4	Low	191 Å²	191	102.3 Å²	102.3	83%	0.83	58%	0.576	S	S	*	*			trans	-64.9	113.5	-178.7	-164.1	175.5	-174.6	-178.5	0	107.9	S982 S986	S982-K984 PolarHBondContact O-N 2.87Å; K984-S986 PolarHBondContact O-N 3Å
985	R	46	Very low	55.9	Low	178 Å²	178	93.8 Å²	93.8	67%	0.672	53%	0.531	S	S	*	.			trans	-49.1	132.6	170	-83.1	-179.6	165.2	140.1	-1.5	108.3	K983 S987 E989	K983-R985 PolarHBondContact O-N 2.93Å; R985-S987 PolarHBondContact O-N 2.85Å; R985-E989 IonicContact NE-OE2 3.48Å; R985-E989 PolarHBondContact NE-OE2 2.95Å
986	S	50.8	Low	58.1	Low	81 Å²	81	88.8 Å²	88.8	57%	0.566	50%	0.496	S	S	*	.			trans	-56.5	133.8	163	41.6	0	0	0	0	107.6	K984 N988 E989	K984-S986 PolarHBondContact O-N 3Å; S986-N988 PolarHBondContact O-N 3.5Å; S986-E989 PolarHBondContact O-N 2.85Å
987	S	56.6	Low	60.7	Low	96 Å²	96	86 Å²	86	67%	0.671	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-3.8	-174.8	43.4	0	0	0	0	114.7	R985	R985-S987 PolarHBondContact O-N 2.85Å
988	N	70.4	Confident	62.6	Low	41 Å²	41	83 Å²	83	22%	0.219	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	4.3	-169	-50.2	17.3	0	0	0	111.6	N966 S986 S1055 S1056	N966-N988 PolarHBondContact ND2-ND2 3.33Å; N966-N988 VanDerWaalsContact ND2-ND2 3.13Å; N966-N988 PolarHBondContact OD1-ND2 3.23Å; S986-N988 PolarHBondContact O-N 3.5Å; N988-S1055 CarbonylContact O-C 3.52Å; N988-S1055 VanDerWaalsContact O-CA 3.24Å; N988-S1055 WeakPolarHBondContact O-CA 3.24Å; N988-S1056 PolarHBondContact O-N 3.37Å
989	E	80.8	Confident	64.8	Low	36 Å²	36	80 Å²	80	17%	0.168	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-68.1	128.6	168.8	-174.6	-169	-178	0	0	109.8	R985 S986 R994 P1053	R985-E989 IonicContact NE-OE2 3.48Å; R985-E989 PolarHBondContact NE-OE2 2.95Å; S986-E989 PolarHBondContact O-N 2.85Å; E989-R994 IonicContact OE1-CZ 3.25Å; E989-R994 IonicContact OE1-NE 3.79Å; E989-R994 IonicContact OE1-NH2 2.79Å; E989-R994 PolarHBondContact OE1-NH2 3.37Å; E989-P1053 HydrophobicContact CG-CB 3.97Å
990	S	85.7	Confident	67.2	Low	4 Å²	4	82.4 Å²	82.4	3%	0.028	42%	0.416	C	S	.	.			trans	-65.7	133.6	175.3	178.7	0	0	0	0	112.5	E873 I992 F993 V1054	E873-S990 VanDerWaalsContact OE1-CA 3.3Å; E873-S990 WeakPolarHBondContact OE1-CA 3.4Å; E873-S990 WeakPolarHBondContact OE2-CA 3.23Å; E873-S990 WeakPolarHBondContact OE2-CB 3.46Å; E873-S990 PolarHBondContact OE2-OG 3.02Å; S990-I992 PolarHBondContact OG-N 3.13Å; S990-F993 WeakPolarHBondContact OG-CB 3.5Å; S990-F993 WeakPolarHBondContact OG-CD2 3.44Å; S990-F993 PolarHBondContact OG-N 2.96Å; S990-V1054 WeakPolarHBondContact CB-O 3.42Å; S990-V1054 PolarHBondContact N-O 2.89Å
991	L	85.9	Confident	69.5	Low	76 Å²	76	75.8 Å²	75.8	40%	0.398	38%	0.381	S	S	.	.	S	Bend	trans	-75	-27.6	173.8	-59.3	179.3	0	0	0	113	F871 E873	F871-L991 HydrophobicContact CE1-CB 4.45Å; F871-L991 HydrophobicContact CZ-CD1 4.3Å; E873-L991 VanDerWaalsContact CD-N 3.27Å; E873-L991 PolarHBondContact OE1-N 2.77Å; E873-L991 PolarHBondContact OE2-N 3.08Å
992	I	88.8	Confident	72	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.046	34%	0.335	C	S	.	.	S	Bend	trans	-114.8	-17.1	-173	66	175	0	0	0	115.1	F871 E873 S990 Q1004 K1005 I1063	F871-I992 HydrophobicContact CD1-CG2 3.79Å; F871-I992 HydrophobicContact CE1-CG2 3.8Å; E873-I992 HydrophobicContact CB-CD1 4.13Å; E873-I992 HydrophobicContact CB-CG1 4.25Å; E873-I992 PolarHBondContact OE2-N 3.21Å; S990-I992 PolarHBondContact OG-N 3.13Å; I992-Q1004 WeakPolarHBondContact O-CA 3.46Å; I992-K1005 PolarHBondContact O-N 3.4Å; I992-I1063 HydrophobicContact CD1-CD1 4.23Å
993	F	89	Confident	74.9	Confident	1 Å²	1	65 Å²	65	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.1	179.6	-65.1	-75.9	0	0	0	112.9	S990 L1002 E1003 Q1004 L1062	S990-F993 WeakPolarHBondContact OG-CB 3.5Å; S990-F993 WeakPolarHBondContact OG-CD2 3.44Å; S990-F993 PolarHBondContact OG-N 2.96Å; F993-L1002 HydrophobicContact CB-CD1 4.29Å; F993-L1002 HydrophobicContact CD1-CD2 3.47Å; F993-L1002 VanDerWaalsContact CD1-CD2 3.47Å; F993-L1002 HydrophobicContact CD1-CG 4.02Å; F993-L1002 HydrophobicContact CE1-CD2 3.95Å; F993-L1002 HydrophobicContact CG-CD2 4.29Å; F993-E1003 WeakPolarHBondContact CA-O 3.5Å; F993-Q1004 HydrophobicContact CD1-CB 3.79Å; F993-Q1004 HydrophobicContact CD1-CG 3.92Å; F993-Q1004 HydrophobicContact CE1-CB 3.58Å; F993-Q1004 VanDerWaalsContact CE1-CD 3.47Å; F993-Q1004 HydrophobicContact CE1-CG 3.38Å; F993-Q1004 HydrophobicContact CZ-CG 3.89Å; F993-L1062 HydrophobicContact CD1-CD1 4.23Å; F993-L1062 HydrophobicContact CE1-CD1 3.56Å; F993-L1062 HydrophobicContact CZ-CB 4.09Å; F993-L1062 HydrophobicContact CZ-CD1 3.77Å
994	R	88.6	Confident	77.5	Confident	67 Å²	67	55.5 Å²	55.5	25%	0.253	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146	168.1	-74.7	-161.4	164.6	-154.5	-14	112.1	E989 L1002 E1003 F1050	E989-R994 IonicContact OE1-CZ 3.25Å; E989-R994 IonicContact OE1-NE 3.79Å; E989-R994 IonicContact OE1-NH2 2.79Å; E989-R994 PolarHBondContact OE1-NH2 3.37Å; R994-L1002 WeakPolarHBondContact O-CA 3.46Å; R994-E1003 PolarHBondContact N-O 2.67Å; R994-E1003 PolarHBondContact O-N 3.35Å; R994-F1050 HydrophobicContact CB-CB 4.24Å; R994-F1050 VanDerWaalsContact CD-O 3.22Å; R994-F1050 WeakPolarHBondContact CD-O 3.27Å
995	A	86.5	Confident	80.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	155.4	179.1	0	0	0	0	0	112	L959 Y999 W1001 L1002 F1050 N1051 Q1052 V1054	L959-A995 HydrophobicContact CD1-CB 3.93Å; A995-Y999 HydrophobicContact CB-CD1 3.9Å; A995-Y999 HydrophobicContact CB-CE1 4.17Å; A995-Y999 HydrophobicContact CB-CG 4.47Å; A995-W1001 CarbonylContact C-O 3.59Å; A995-W1001 VanDerWaalsContact CA-O 3.3Å; A995-W1001 WeakPolarHBondContact CA-O 3.46Å; A995-L1002 HydrophobicContact CB-CD1 4.44Å; A995-F1050 CarbonylContact O-C 3.46Å; A995-F1050 WeakPolarHBondContact O-CA 3.23Å; A995-N1051 PolarHBondContact O-N 2.8Å; A995-Q1052 HydrophobicContact CB-CB 3.98Å; A995-Q1052 PolarHBondContact N-O 3.35Å; A995-Q1052 WeakPolarHBondContact O-CB 3.18Å; A995-Q1052 PolarHBondContact O-N 3.18Å; A995-Q1052 VanDerWaalsContact O-N 3.09Å; A995-V1054 HydrophobicContact CB-CG2 3.65Å
996	S	87.1	Confident	82.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.			trans	-65.4	162.6	165.4	54.8	0	0	0	0	111.5	D998 Y999 R1000 W1001 E1049 Q1052	S996-D998 WeakPolarHBondContact CB-OD1 3.15Å; S996-D998 PolarHBondContact O-N 2.82Å; S996-D998 PolarHBondContact OG-OD1 2.79Å; S996-Y999 PolarHBondContact O-N 2.83Å; S996-Y999 PolarHBondContact OG-N 2.84Å; S996-R1000 PolarHBondContact OG-N 2.94Å; S996-W1001 PolarHBondContact N-O 3.32Å; S996-W1001 PolarHBondContact OG-N 2.87Å; S996-W1001 PolarHBondContact OG-O 3.25Å; S996-E1049 WeakPolarHBondContact CA-O 3.49Å; S996-Q1052 VanDerWaalsContact O-CG 3.29Å; S996-Q1052 WeakPolarHBondContact O-CG 3.45Å
997	T	84.3	Confident	84.6	Confident	85 Å²	85	37.9 Å²	37.9	52%	0.521	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.2	176.5	48.1	0	0	0	0	114.5	E1049	T997-E1049 HydrophobicContact CG2-CB 4.48Å
998	D	80.7	Confident	86.5	Confident	76 Å²	76	33.4 Å²	33.4	41%	0.406	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	2.9	175.6	74.4	-20.2	0	0	0	114.1	S996 R1000	S996-D998 WeakPolarHBondContact CB-OD1 3.15Å; S996-D998 PolarHBondContact O-N 2.82Å; S996-D998 PolarHBondContact OG-OD1 2.79Å; D998-R1000 PolarHBondContact O-N 3.43Å; D998-R1000 PolarHBondContact OD1-N 3.48Å; D998-R1000 WeakPolarHBondContact OD2-CD 3.33Å
999	Y	78.7	Confident	87.7	Confident	58 Å²	58	31.7 Å²	31.7	23%	0.227	15%	0.149	C	C	.	.	S	Bend	trans	55.4	15.2	-176.9	-72.4	-99.3	0	0	0	115.6	L959 I963 A995 S996 Q1052	L959-Y999 HydrophobicContact CB-CD1 4.16Å; L959-Y999 HydrophobicContact CD1-CD1 3.86Å; L959-Y999 WeakPolarHBondContact CD1-O 3.47Å; I963-Y999 HydrophobicContact CD1-CE1 3.84Å; A995-Y999 HydrophobicContact CB-CD1 3.9Å; A995-Y999 HydrophobicContact CB-CE1 4.17Å; A995-Y999 HydrophobicContact CB-CG 4.47Å; S996-Y999 PolarHBondContact O-N 2.83Å; S996-Y999 PolarHBondContact OG-N 2.84Å; Y999-Q1052 HydrophobicContact CD2-CG 4.33Å; Y999-Q1052 HydrophobicContact CE1-CB 4.11Å; Y999-Q1052 HydrophobicContact CE2-CB 4.06Å; Y999-Q1052 HydrophobicContact CE2-CG 3.62Å; Y999-Q1052 PolarHBondContact OH-OE1 2.93Å
1000	R	80.2	Confident	88.5	Confident	120 Å²	120	30 Å²	30	45%	0.453	14%	0.141	S	C	.	.	S	Bend	trans	-86.9	-20.6	174	-72.3	-178.6	65.1	173.6	1.4	114.1	E953 I954 S996 D998	E953-R1000 CarbonylContact C-O 3.59Å; E953-R1000 VanDerWaalsContact CA-O 3.31Å; E953-R1000 WeakPolarHBondContact CA-O 3.45Å; E953-R1000 IonicContact OE1-CZ 3.83Å; E953-R1000 IonicContact OE1-NE 3.3Å; E953-R1000 PolarHBondContact OE1-NE 3.11Å; E953-R1000 IonicContact OE1-NH2 2.95Å; E953-R1000 PolarHBondContact OE1-NH2 3.19Å; I954-R1000 PolarHBondContact N-O 2.89Å; S996-R1000 PolarHBondContact OG-N 2.94Å; D998-R1000 PolarHBondContact O-N 3.43Å; D998-R1000 PolarHBondContact OD1-N 3.48Å; D998-R1000 WeakPolarHBondContact OD2-CD 3.33Å
1001	W	82.5	Confident	88.9	Confident	13 Å²	13	33.4 Å²	33.4	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.9	-176.6	-71	83.8	0	0	0	111.5	L951 R952 E953 A995 S996 F1040 L1041 Y1044 L1048 F1050	L951-W1001 HydrophobicContact CB-CE3 4.11Å; L951-W1001 HydrophobicContact CB-CZ3 4.29Å; R952-W1001 CarbonylContact O-C 3.57Å; R952-W1001 WeakPolarHBondContact O-CA 3.32Å; E953-W1001 HydrophobicContact CB-CD2 4.33Å; E953-W1001 HydrophobicContact CB-CE3 4.4Å; E953-W1001 HydrophobicContact CB-CH2 4.19Å; E953-W1001 HydrophobicContact CB-CZ2 4.11Å; E953-W1001 HydrophobicContact CB-CZ3 4.33Å; A995-W1001 CarbonylContact C-O 3.59Å; A995-W1001 VanDerWaalsContact CA-O 3.3Å; A995-W1001 WeakPolarHBondContact CA-O 3.46Å; S996-W1001 PolarHBondContact N-O 3.32Å; S996-W1001 PolarHBondContact OG-N 2.87Å; S996-W1001 PolarHBondContact OG-O 3.25Å; W1001-F1040 HydrophobicContact CH2-CE1 4.18Å; W1001-F1040 HydrophobicContact CZ2-CE1 4.33Å; W1001-L1041 HydrophobicContact CH2-CD1 4.46Å; W1001-L1041 HydrophobicContact CZ3-CD1 4.06Å; W1001-Y1044 AromaticContact CE2-CD1 3.66Å; W1001-Y1044 HydrophobicContact CH2-CD1 4.38Å; W1001-Y1044 HydrophobicContact CH2-CG 4.45Å; W1001-Y1044 AromaticContact CZ2-CD1 3.45Å; W1001-Y1044 HydrophobicContact CZ2-CD1 3.45Å; W1001-Y1044 VanDerWaalsContact CZ2-CD1 3.45Å; W1001-Y1044 AromaticContact CZ2-CE1 3.88Å; W1001-Y1044 HydrophobicContact CZ2-CE1 3.88Å; W1001-Y1044 AromaticContact CZ2-CG 3.93Å; W1001-Y1044 HydrophobicContact CZ2-CG 3.93Å; W1001-Y1044 AromaticContact NE1-CD1 3.7Å; W1001-L1048 HydrophobicContact CB-CD1 3.85Å; W1001-L1048 HydrophobicContact CD2-CD1 3.77Å; W1001-L1048 HydrophobicContact CE3-CD1 4.43Å; W1001-L1048 HydrophobicContact CG-CD1 3.46Å; W1001-L1048 VanDerWaalsContact CG-CD1 3.46Å; W1001-L1048 HydrophobicContact CG-CD2 4.41Å; W1001-F1050 HydrophobicContact CB-CE1 3.77Å; W1001-F1050 HydrophobicContact CB-CZ 4.04Å
1002	L	84.7	Confident	89.4	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.4	176.5	-165.2	77.7	0	0	0	110.2	L951 R952 I954 L959 F993 R994 A995 V1054 L1058 L1062	L951-L1002 WeakPolarHBondContact CA-O 3.32Å; R952-L1002 PolarHBondContact N-O 3.25Å; R952-L1002 PolarHBondContact O-N 3.32Å; I954-L1002 HydrophobicContact CD1-CB 3.61Å; I954-L1002 HydrophobicContact CD1-CD2 3.55Å; I954-L1002 HydrophobicContact CD1-CG 4.14Å; I954-L1002 HydrophobicContact CG1-CB 4.23Å; L959-L1002 HydrophobicContact CD2-CD1 4.38Å; F993-L1002 HydrophobicContact CB-CD1 4.29Å; F993-L1002 HydrophobicContact CD1-CD2 3.47Å; F993-L1002 VanDerWaalsContact CD1-CD2 3.47Å; F993-L1002 HydrophobicContact CD1-CG 4.02Å; F993-L1002 HydrophobicContact CE1-CD2 3.95Å; F993-L1002 HydrophobicContact CG-CD2 4.29Å; R994-L1002 WeakPolarHBondContact O-CA 3.46Å; A995-L1002 HydrophobicContact CB-CD1 4.44Å; L1002-V1054 HydrophobicContact CD1-CG1 4.4Å; L1002-V1054 HydrophobicContact CD1-CG2 3.95Å; L1002-L1058 HydrophobicContact CD1-CD2 4.13Å; L1002-L1058 HydrophobicContact CD2-CD2 3.75Å; L1002-L1062 HydrophobicContact CD2-CD1 3.7Å
1003	E	90.5	Very high	89.8	Confident	14 Å²	14	34.3 Å²	34.3	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.7	162.8	178.9	175.6	-110.7	0	0	109	R949 L951 F993 R994 K1005 F1050	R949-E1003 HydrophobicContact CB-CG 4.42Å; R949-E1003 VanDerWaalsContact CD-OE1 3.3Å; R949-E1003 WeakPolarHBondContact CD-OE1 3.29Å; R949-E1003 IonicContact NH1-OE1 3.66Å; R949-E1003 PolarHBondContact NH1-OE1 2.93Å; L951-E1003 HydrophobicContact CD2-CB 3.75Å; L951-E1003 HydrophobicContact CD2-CG 4.05Å; F993-E1003 WeakPolarHBondContact CA-O 3.5Å; R994-E1003 PolarHBondContact N-O 2.67Å; R994-E1003 PolarHBondContact O-N 3.35Å; E1003-K1005 HydrophobicContact CG-CG 4.46Å; E1003-K1005 WeakPolarHBondContact OE2-CE 3.48Å; E1003-K1005 IonicContact OE2-NZ 2.93Å; E1003-K1005 PolarHBondContact OE2-NZ 2.92Å; E1003-K1005 VanDerWaalsContact OE2-NZ 3.15Å; E1003-F1050 HydrophobicContact CB-CB 4.04Å; E1003-F1050 HydrophobicContact CB-CD1 3.55Å; E1003-F1050 HydrophobicContact CB-CD2 4.12Å; E1003-F1050 HydrophobicContact CB-CE1 4.04Å; E1003-F1050 HydrophobicContact CB-CG 3.6Å
1004	Q	91.5	Very high	90.1	Very high	18 Å²	18	40.9 Å²	40.9	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.1	166.2	-178.6	-179.2	12.6	0	0	109.5	R949 S950 I992 F993 H1006	R949-Q1004 WeakPolarHBondContact CA-O 3.44Å; S950-Q1004 PolarHBondContact N-O 3.01Å; S950-Q1004 PolarHBondContact O-N 3.4Å; I992-Q1004 WeakPolarHBondContact O-CA 3.46Å; F993-Q1004 HydrophobicContact CD1-CB 3.79Å; F993-Q1004 HydrophobicContact CD1-CG 3.92Å; F993-Q1004 HydrophobicContact CE1-CB 3.58Å; F993-Q1004 VanDerWaalsContact CE1-CD 3.47Å; F993-Q1004 HydrophobicContact CE1-CG 3.38Å; F993-Q1004 HydrophobicContact CZ-CG 3.89Å; Q1004-H1006 PolarHBondContact O-CD2 3.35Å; Q1004-H1006 PolarHBondContact O-NE2 2.9Å
1005	K	92.9	Very high	90.4	Very high	53 Å²	53	41.3 Å²	41.3	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.7	176.9	-68	171.1	-175.1	160.2	0	110.3	Y947 I992 E1003	Y947-K1005 HydrophobicContact CE2-CB 4.12Å; Y947-K1005 HydrophobicContact CE2-CD 4.47Å; Y947-K1005 HydrophobicContact CE2-CG 4.01Å; I992-K1005 PolarHBondContact O-N 3.4Å; E1003-K1005 HydrophobicContact CG-CG 4.46Å; E1003-K1005 WeakPolarHBondContact OE2-CE 3.48Å; E1003-K1005 IonicContact OE2-NZ 2.93Å; E1003-K1005 PolarHBondContact OE2-NZ 2.92Å; E1003-K1005 VanDerWaalsContact OE2-NZ 3.15Å
1006	H	94.6	Very high	90.9	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.8	179.9	-53.5	-87.8	0	0	0	108.8	I922 Y947 M948 S950 Q1004	I922-H1006 HydrophobicContact CD1-CB 4.04Å; I922-H1006 WeakPolarHBondContact CD1-ND1 3.48Å; Y947-H1006 WeakPolarHBondContact CA-O 3.43Å; M948-H1006 HydrophobicContact CB-CB 4.18Å; M948-H1006 PolarHBondContact N-O 3.26Å; M948-H1006 PolarHBondContact O-N 3.11Å; S950-H1006 PolarHBondContact OG-NE2 3.46Å; Q1004-H1006 PolarHBondContact O-CD2 3.35Å; Q1004-H1006 PolarHBondContact O-NE2 2.9Å
1007	L	95.5	Very high	91.3	Very high	16 Å²	16	46.1 Å²	46.1	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.4	176.5	-66.5	168.3	0	0	0	109.1	F871 W880 A935 I939 C940 T945 I946 Y947	F871-L1007 HydrophobicContact CB-CB 3.79Å; F871-L1007 HydrophobicContact CB-CD1 4.38Å; F871-L1007 HydrophobicContact CD1-CD1 4.04Å; F871-L1007 HydrophobicContact CG-CD1 4.3Å; F871-L1007 PolarHBondContact N-O 2.82Å; W880-L1007 HydrophobicContact CH2-CB 3.89Å; W880-L1007 HydrophobicContact CZ3-CB 4.49Å; A935-L1007 HydrophobicContact CB-CD2 4.17Å; I939-L1007 HydrophobicContact CG2-CD2 4.26Å; C940-L1007 HydrophobicContact CB-CD1 4.4Å; C940-L1007 HydrophobicContact CB-CD2 4.18Å; T945-L1007 HydrophobicContact CG2-CB 4.01Å; T945-L1007 HydrophobicContact CG2-CD2 3.85Å; I946-L1007 WeakPolarHBondContact O-CA 3.39Å; Y947-L1007 HydrophobicContact CD2-CD2 3.76Å; Y947-L1007 HydrophobicContact CG-CD2 4.41Å
1008	L	96.6	Very high	91.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.3	-174	-49.3	173.7	0	0	0	109.7	M868 V870 L892 I922 T945 I946 M948	M868-L1008 HydrophobicContact CE-CB 3.6Å; M868-L1008 HydrophobicContact CE-CD1 4.23Å; M868-L1008 HydrophobicContact SD-CB 4.25Å; M868-L1008 HydrophobicContact SD-CD1 4.28Å; V870-L1008 HydrophobicContact CB-CD2 4.31Å; V870-L1008 HydrophobicContact CG1-CD2 3.99Å; V870-L1008 HydrophobicContact CG2-CD2 3.78Å; L892-L1008 HydrophobicContact CD2-CD1 3.62Å; I922-L1008 HydrophobicContact CD1-CD1 4.38Å; I922-L1008 HydrophobicContact CD1-CD2 4.05Å; T945-L1008 CarbonylContact C-O 3.6Å; I946-L1008 HydrophobicContact CB-CB 4.39Å; I946-L1008 WeakPolarHBondContact CB-O 3.45Å; I946-L1008 PolarHBondContact N-O 3.13Å; I946-L1008 PolarHBondContact O-N 2.89Å; M948-L1008 HydrophobicContact CE-CD1 3.54Å
1009	C	96.9	Very high	92.6	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.034	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.3	177.5	-177.4	0	0	0	0	110.5	M868 T869 W880 R942 A943	M868-C1009 WeakPolarHBondContact CA-O 3.39Å; T869-C1009 PolarHBondContact N-O 3.14Å; T869-C1009 WeakPolarHBondContact O-CB 3.21Å; T869-C1009 PolarHBondContact O-N 3.26Å; W880-C1009 HydrophobicContact CE3-CB 4.31Å; W880-C1009 HydrophobicContact CH2-CB 4.47Å; W880-C1009 HydrophobicContact CZ3-CB 3.79Å; R942-C1009 PolarHBondContact NE-SG 3.04Å; A943-C1009 PolarHBondContact O-SG 3.42Å
1010	A	96.7	Very high	93.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.191	C	C	.	.			trans	-82.8	162.5	163.1	0	0	0	0	0	110.3	N944 E1015 R1016	N944-A1010 WeakPolarHBondContact CB-O 3.32Å; N944-A1010 PolarHBondContact O-N 3.33Å; A1010-E1015 HydrophobicContact CB-CB 3.84Å; A1010-R1016 HydrophobicContact CB-CB 4.04Å
1011	D	95.4	Very high	94.1	Very high	75 Å²	75	37.3 Å²	37.3	40%	0.401	20%	0.197	S	C	.	.	S	Bend	trans	-74.4	-46.3	178.6	-64.2	-29.5	0	0	0	110.6	R882 N944	R882-D1011 IonicContact CZ-OD1 2.8Å; R882-D1011 IonicContact CZ-OD2 3.28Å; R882-D1011 VanDerWaalsContact CZ-OD2 3.27Å; R882-D1011 VanDerWaalsContact NH1-CG 3.27Å; R882-D1011 IonicContact NH1-OD1 3.25Å; R882-D1011 PolarHBondContact NH1-OD1 2.88Å; R882-D1011 IonicContact NH1-OD2 3.64Å; R882-D1011 PolarHBondContact NH1-OD2 2.9Å; R882-D1011 IonicContact NH2-OD1 2.67Å; R882-D1011 IonicContact NH2-OD2 3.98Å; R882-D1011 PolarHBondContact NH2-OD2 3.25Å; N944-D1011 PolarHBondContact ND2-O 2.97Å
1012	T	96.1	Very high	94.5	Very high	53 Å²	53	41.6 Å²	41.6	33%	0.325	21%	0.213	S	C	.	.	S	Bend	trans	-105.5	155	178.1	67.7	0	0	0	0	113	Q1014 E1015 R1016	T1012-Q1014 VanDerWaalsContact C-N 3.25Å; T1012-Q1014 PolarHBondContact O-N 3.32Å; T1012-E1015 WeakPolarHBondContact CB-OE2 3.37Å; T1012-E1015 WeakPolarHBondContact CG2-OE2 3.27Å; T1012-E1015 PolarHBondContact N-OE2 2.96Å; T1012-E1015 PolarHBondContact O-N 3.25Å; T1012-E1015 WeakPolarHBondContact OG1-CB 3.41Å; T1012-E1015 WeakPolarHBondContact OG1-CG 3.21Å; T1012-E1015 PolarHBondContact OG1-N 3.15Å; T1012-E1015 PolarHBondContact OG1-OE2 3.35Å; T1012-R1016 PolarHBondContact O-N 3.46Å
1013	P	96.2	Very high	95	Very high	51 Å²	51	41.5 Å²	41.5	33%	0.331	21%	0.213	S	C	.	.	H	α-helix	trans	-67	-27.5	172.3	26.2	-31.9	0	0	0	112.4	R1016 D1017	P1013-R1016 WeakPolarHBondContact O-CB 3.33Å; P1013-R1016 PolarHBondContact O-N 3.1Å; P1013-D1017 VanDerWaalsContact O-CG 3.3Å; P1013-D1017 PolarHBondContact O-N 2.87Å
1014	Q	96	Very high	95.1	Very high	138 Å²	138	42.9 Å²	42.9	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-65.5	-45.8	174.8	-66.7	81	-2.2	0	0	111.3	T1012 D1017 A1018	T1012-Q1014 VanDerWaalsContact C-N 3.25Å; T1012-Q1014 PolarHBondContact O-N 3.32Å; Q1014-D1017 PolarHBondContact O-N 2.73Å; Q1014-A1018 WeakPolarHBondContact O-CB 3.19Å; Q1014-A1018 PolarHBondContact O-N 3.05Å
1015	E	95.2	Very high	95	Very high	77 Å²	77	43.6 Å²	43.6	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-43.1	172.9	-72.5	160	143.4	0	0	111.3	A1010 T1012 D1017 A1018 W1019	A1010-E1015 HydrophobicContact CB-CB 3.84Å; T1012-E1015 WeakPolarHBondContact CB-OE2 3.37Å; T1012-E1015 WeakPolarHBondContact CG2-OE2 3.27Å; T1012-E1015 PolarHBondContact N-OE2 2.96Å; T1012-E1015 PolarHBondContact O-N 3.25Å; T1012-E1015 WeakPolarHBondContact OG1-CB 3.41Å; T1012-E1015 WeakPolarHBondContact OG1-CG 3.21Å; T1012-E1015 PolarHBondContact OG1-N 3.15Å; T1012-E1015 PolarHBondContact OG1-OE2 3.35Å; E1015-D1017 VanDerWaalsContact C-N 3.29Å; E1015-D1017 PolarHBondContact O-N 3.44Å; E1015-A1018 PolarHBondContact O-N 3.33Å; E1015-W1019 WeakPolarHBondContact O-CB 3.3Å; E1015-W1019 PolarHBondContact O-N 3.05Å
1016	R	96.5	Very high	94.8	Very high	33 Å²	33	41.1 Å²	41.1	13%	0.125	22%	0.222	C	C	.	.	H	α-helix	trans	-52.5	-49.2	175.1	-179	-156.7	61.7	-130.9	-2.5	110.9	N944 I946 A1010 T1012 P1013 W1019 I1020	N944-R1016 PolarHBondContact OD1-NH1 3.34Å; I946-R1016 HydrophobicContact CD1-CG 4.2Å; I946-R1016 HydrophobicContact CG1-CG 3.62Å; A1010-R1016 HydrophobicContact CB-CB 4.04Å; T1012-R1016 PolarHBondContact O-N 3.46Å; P1013-R1016 WeakPolarHBondContact O-CB 3.33Å; P1013-R1016 PolarHBondContact O-N 3.1Å; R1016-W1019 PolarHBondContact O-N 2.95Å; R1016-I1020 HydrophobicContact CG-CD1 3.98Å; R1016-I1020 WeakPolarHBondContact O-CG1 3.32Å; R1016-I1020 PolarHBondContact O-N 2.99Å
1017	D	96.6	Very high	94.5	Very high	68 Å²	68	40.7 Å²	40.7	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-72.9	-31.5	-175.7	-65.3	-20	0	0	0	112.2	P1013 Q1014 E1015 T1021	P1013-D1017 VanDerWaalsContact O-CG 3.3Å; P1013-D1017 PolarHBondContact O-N 2.87Å; Q1014-D1017 PolarHBondContact O-N 2.73Å; E1015-D1017 VanDerWaalsContact C-N 3.29Å; E1015-D1017 PolarHBondContact O-N 3.44Å; D1017-T1021 WeakPolarHBondContact O-CB 3.25Å; D1017-T1021 PolarHBondContact O-N 2.91Å; D1017-T1021 PolarHBondContact O-OG1 2.9Å
1018	A	95.2	Very high	94.1	Very high	29 Å²	29	44.3 Å²	44.3	24%	0.24	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-47.3	168.4	0	0	0	0	0	112	Q1014 E1015 I1020 T1021 W1022	Q1014-A1018 WeakPolarHBondContact O-CB 3.19Å; Q1014-A1018 PolarHBondContact O-N 3.05Å; E1015-A1018 PolarHBondContact O-N 3.33Å; A1018-I1020 PolarHBondContact O-N 3.47Å; A1018-T1021 WeakPolarHBondContact O-CB 3.17Å; A1018-T1021 PolarHBondContact O-N 3Å; A1018-T1021 VanDerWaalsContact O-N 3.13Å; A1018-W1022 HydrophobicContact CB-CD2 4.5Å; A1018-W1022 HydrophobicContact CB-CE3 4.35Å; A1018-W1022 HydrophobicContact CB-CH2 3.79Å; A1018-W1022 HydrophobicContact CB-CZ2 3.93Å; A1018-W1022 HydrophobicContact CB-CZ3 3.99Å; A1018-W1022 VanDerWaalsContact O-CG 3.27Å; A1018-W1022 PolarHBondContact O-N 2.88Å
1019	W	95.8	Very high	93.4	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.8	-84.5	109.8	0	0	0	112.4	M868 C885 L887 L892 I946 E1015 R1016 T1021 W1022 L1023	M868-W1019 HydrophobicContact CE-CB 4.11Å; M868-W1019 HydrophobicContact CE-CD2 3.8Å; M868-W1019 HydrophobicContact CE-CE3 4.24Å; M868-W1019 HydrophobicContact CE-CG 3.73Å; M868-W1019 HydrophobicContact CG-CD2 4.4Å; M868-W1019 HydrophobicContact CG-CH2 4.42Å; M868-W1019 HydrophobicContact CG-CZ2 3.85Å; M868-W1019 HydrophobicContact SD-CD2 3.67Å; M868-W1019 HydrophobicContact SD-CE3 3.78Å; M868-W1019 HydrophobicContact SD-CG 4.25Å; M868-W1019 HydrophobicContact SD-CH2 3.96Å; M868-W1019 HydrophobicContact SD-CZ2 3.85Å; M868-W1019 HydrophobicContact SD-CZ3 3.9Å; C885-W1019 HydrophobicContact CB-CH2 3.66Å; C885-W1019 HydrophobicContact CB-CZ2 4.11Å; C885-W1019 HydrophobicContact CB-CZ3 4.49Å; L887-W1019 HydrophobicContact CB-CZ3 3.89Å; L887-W1019 HydrophobicContact CD2-CZ3 4.43Å; L892-W1019 HydrophobicContact CD1-CH2 4.12Å; L892-W1019 HydrophobicContact CD1-CZ3 3.7Å; I946-W1019 HydrophobicContact CD1-CB 3.52Å; E1015-W1019 WeakPolarHBondContact O-CB 3.3Å; E1015-W1019 PolarHBondContact O-N 3.05Å; R1016-W1019 PolarHBondContact O-N 2.95Å; W1019-T1021 VanDerWaalsContact C-N 3.33Å; W1019-T1021 PolarHBondContact O-N 3.01Å; W1019-W1022 HydrophobicContact CD2-CE3 4.16Å; W1019-W1022 HydrophobicContact CD2-CZ3 4.26Å; W1019-W1022 HydrophobicContact CE3-CE3 4.36Å; W1019-W1022 HydrophobicContact CG-CE3 4.27Å; W1019-W1022 HydrophobicContact CG-CZ3 4.29Å; W1019-W1022 PolarHBondContact O-N 3.46Å; W1019-L1023 VanDerWaalsContact O-CB 3.26Å; W1019-L1023 WeakPolarHBondContact O-CB 3.48Å; W1019-L1023 WeakPolarHBondContact O-CD1 3.43Å; W1019-L1023 VanDerWaalsContact O-CG 3.25Å; W1019-L1023 WeakPolarHBondContact O-CG 3.46Å; W1019-L1023 PolarHBondContact O-N 2.85Å
1020	I	95.6	Very high	92.6	Very high	24 Å²	24	45.6 Å²	45.6	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-45.8	172	-73.7	170.7	0	0	0	110.6	I934 I946 R1016 A1018 L1023 N1024	I934-I1020 HydrophobicContact CG1-CD1 3.66Å; I946-I1020 HydrophobicContact CD1-CG1 3.83Å; I946-I1020 HydrophobicContact CG1-CD1 4.18Å; I946-I1020 HydrophobicContact CG1-CG1 3.85Å; I946-I1020 HydrophobicContact CG2-CG1 3.96Å; R1016-I1020 HydrophobicContact CG-CD1 3.98Å; R1016-I1020 WeakPolarHBondContact O-CG1 3.32Å; R1016-I1020 PolarHBondContact O-N 2.99Å; A1018-I1020 PolarHBondContact O-N 3.47Å; I1020-L1023 PolarHBondContact O-N 3.49Å; I1020-N1024 WeakPolarHBondContact O-CB 3.46Å; I1020-N1024 PolarHBondContact O-N 3.35Å; I1020-N1024 PolarHBondContact O-ND2 3.09Å
1021	T	94.2	Very high	91.9	Very high	95 Å²	95	48.3 Å²	48.3	58%	0.583	26%	0.258	S	S	*	.	H	α-helix	trans	-62.5	-44.7	-180	-58.5	0	0	0	0	111.5	D1017 A1018 W1019 G1025	D1017-T1021 WeakPolarHBondContact O-CB 3.25Å; D1017-T1021 PolarHBondContact O-N 2.91Å; D1017-T1021 PolarHBondContact O-OG1 2.9Å; A1018-T1021 WeakPolarHBondContact O-CB 3.17Å; A1018-T1021 PolarHBondContact O-N 3Å; A1018-T1021 VanDerWaalsContact O-N 3.13Å; W1019-T1021 VanDerWaalsContact C-N 3.33Å; W1019-T1021 PolarHBondContact O-N 3.01Å; T1021-G1025 PolarHBondContact O-N 3Å
1022	W	92.8	Very high	91.1	Very high	103 Å²	103	50.2 Å²	50.2	39%	0.39	27%	0.268	S	S	.	.	H	α-helix	trans	-70.4	-43.6	178.2	-57.1	-41.8	0	0	0	112.5	A864 L887 A1018 W1019 G1025 C1026	A864-W1022 HydrophobicContact CB-CD2 3.59Å; A864-W1022 HydrophobicContact CB-CE3 3.23Å; A864-W1022 HydrophobicContact CB-CG 4.17Å; A864-W1022 HydrophobicContact CB-CH2 4.22Å; A864-W1022 HydrophobicContact CB-CZ3 3.6Å; L887-W1022 HydrophobicContact CD2-CB 3.44Å; L887-W1022 VanDerWaalsContact CD2-CB 3.44Å; A1018-W1022 HydrophobicContact CB-CD2 4.5Å; A1018-W1022 HydrophobicContact CB-CE3 4.35Å; A1018-W1022 HydrophobicContact CB-CH2 3.79Å; A1018-W1022 HydrophobicContact CB-CZ2 3.93Å; A1018-W1022 HydrophobicContact CB-CZ3 3.99Å; A1018-W1022 VanDerWaalsContact O-CG 3.27Å; A1018-W1022 PolarHBondContact O-N 2.88Å; W1019-W1022 HydrophobicContact CD2-CE3 4.16Å; W1019-W1022 HydrophobicContact CD2-CZ3 4.26Å; W1019-W1022 HydrophobicContact CE3-CE3 4.36Å; W1019-W1022 HydrophobicContact CG-CE3 4.27Å; W1019-W1022 HydrophobicContact CG-CZ3 4.29Å; W1019-W1022 PolarHBondContact O-N 3.46Å; W1022-G1025 CarbonylContact O-C 3.51Å; W1022-G1025 WeakPolarHBondContact O-CA 3.33Å; W1022-G1025 PolarHBondContact O-N 3.41Å; W1022-C1026 PolarHBondContact O-N 2.85Å; W1022-C1026 PolarHBondContact O-SG 2.76Å
1023	L	93.7	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-47.3	178.1	-78.3	164.2	0	0	0	111.6	L887 L892 L924 A932 I946 M948 W1019 I1020 G1025 C1026 I1027	L887-L1023 HydrophobicContact CD1-CD2 3.67Å; L887-L1023 HydrophobicContact CD1-CG 4.47Å; L887-L1023 HydrophobicContact CD2-CD2 4.46Å; L887-L1023 HydrophobicContact CD2-CG 4.42Å; L892-L1023 HydrophobicContact CD2-CD2 4.42Å; L924-L1023 HydrophobicContact CD2-CD2 4.05Å; A932-L1023 HydrophobicContact CB-CB 3.65Å; A932-L1023 HydrophobicContact CB-CD1 3.99Å; A932-L1023 HydrophobicContact CB-CG 4.46Å; I946-L1023 HydrophobicContact CD1-CD1 4.39Å; I946-L1023 HydrophobicContact CG2-CD1 4.46Å; M948-L1023 HydrophobicContact CE-CD1 3.91Å; M948-L1023 HydrophobicContact CE-CD2 4.07Å; M948-L1023 HydrophobicContact SD-CD1 4.09Å; M948-L1023 HydrophobicContact SD-CD2 4.11Å; W1019-L1023 VanDerWaalsContact O-CB 3.26Å; W1019-L1023 WeakPolarHBondContact O-CB 3.48Å; W1019-L1023 WeakPolarHBondContact O-CD1 3.43Å; W1019-L1023 VanDerWaalsContact O-CG 3.25Å; W1019-L1023 WeakPolarHBondContact O-CG 3.46Å; W1019-L1023 PolarHBondContact O-N 2.85Å; I1020-L1023 PolarHBondContact O-N 3.49Å; L1023-G1025 VanDerWaalsContact C-N 3.33Å; L1023-C1026 WeakPolarHBondContact O-CB 3.39Å; L1023-C1026 PolarHBondContact O-N 3.49Å; L1023-I1027 WeakPolarHBondContact O-CD1 3.24Å; L1023-I1027 VanDerWaalsContact O-CG1 3.32Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.3Å; L1023-I1027 PolarHBondContact O-N 3.4Å
1024	N	93.6	Very high	88.9	Confident	42 Å²	42	46 Å²	46	23%	0.225	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-34.3	175.7	-70.1	-30.1	0	0	0	111.6	A932 I1020 C1026 I1027 E1028	A932-N1024 WeakPolarHBondContact CB-OD1 3.09Å; A932-N1024 PolarHBondContact N-OD1 2.97Å; A932-N1024 PolarHBondContact O-ND2 2.97Å; I1020-N1024 WeakPolarHBondContact O-CB 3.46Å; I1020-N1024 PolarHBondContact O-N 3.35Å; I1020-N1024 PolarHBondContact O-ND2 3.09Å; N1024-C1026 VanDerWaalsContact C-N 3.32Å; N1024-C1026 PolarHBondContact O-N 2.92Å; N1024-I1027 PolarHBondContact O-N 3.47Å; N1024-I1027 VanDerWaalsContact O-N 3.15Å; N1024-E1028 WeakPolarHBondContact O-CG 3.38Å; N1024-E1028 PolarHBondContact O-N 3.42Å
1025	G	88.9	Confident	87.9	Confident	34 Å²	34	42.1 Å²	42.1	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-40.3	169.7	0	0	0	0	0	113.4	T1021 W1022 L1023 S1029	T1021-G1025 PolarHBondContact O-N 3Å; W1022-G1025 CarbonylContact O-C 3.51Å; W1022-G1025 WeakPolarHBondContact O-CA 3.33Å; W1022-G1025 PolarHBondContact O-N 3.41Å; L1023-G1025 VanDerWaalsContact C-N 3.33Å; G1025-S1029 VanDerWaalsContact O-CB 3.31Å; G1025-S1029 WeakPolarHBondContact O-CB 3.34Å; G1025-S1029 PolarHBondContact O-N 3.43Å; G1025-S1029 PolarHBondContact O-OG 2.53Å
1026	C	87.9	Confident	86.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-46.2	171.1	-61	0	0	0	0	111.7	L863 L924 W1022 L1023 N1024 S1029 L1030	L863-C1026 WeakPolarHBondContact CD1-SG 3.43Å; L924-C1026 HydrophobicContact CD1-CB 3.65Å; W1022-C1026 PolarHBondContact O-N 2.85Å; W1022-C1026 PolarHBondContact O-SG 2.76Å; L1023-C1026 WeakPolarHBondContact O-CB 3.39Å; L1023-C1026 PolarHBondContact O-N 3.49Å; N1024-C1026 VanDerWaalsContact C-N 3.32Å; N1024-C1026 PolarHBondContact O-N 2.92Å; C1026-S1029 WeakPolarHBondContact O-CB 3.48Å; C1026-S1029 PolarHBondContact O-N 3.03Å; C1026-L1030 WeakPolarHBondContact O-CB 3.15Å; C1026-L1030 WeakPolarHBondContact O-CG 3.43Å; C1026-L1030 PolarHBondContact O-N 2.69Å
1027	I	88.9	Confident	85.9	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-41.5	-176.6	-67.2	160.5	0	0	0	111.6	I927 L1023 N1024 L1030 K1031 F1038	I927-I1027 HydrophobicContact CB-CD1 4.24Å; I927-I1027 HydrophobicContact CG2-CD1 3.7Å; I927-I1027 HydrophobicContact CG2-CG1 4.48Å; L1023-I1027 WeakPolarHBondContact O-CD1 3.24Å; L1023-I1027 VanDerWaalsContact O-CG1 3.32Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.3Å; L1023-I1027 PolarHBondContact O-N 3.4Å; N1024-I1027 PolarHBondContact O-N 3.47Å; N1024-I1027 VanDerWaalsContact O-N 3.15Å; I1027-L1030 PolarHBondContact O-N 2.74Å; I1027-K1031 HydrophobicContact CG2-CD 4.26Å; I1027-K1031 WeakPolarHBondContact O-CG 3.37Å; I1027-K1031 PolarHBondContact O-N 3.38Å; I1027-F1038 HydrophobicContact CG2-CE1 4.43Å
1028	E	86.7	Confident	85.2	Confident	93 Å²	93	38 Å²	38	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-40.1	173.3	-59.8	-42.4	124.4	0	0	111.6	N1024 L1030 K1031 D1032	N1024-E1028 WeakPolarHBondContact O-CG 3.38Å; N1024-E1028 PolarHBondContact O-N 3.42Å; E1028-L1030 PolarHBondContact O-N 3.42Å; E1028-K1031 VanDerWaalsContact CD-NZ 3.31Å; E1028-K1031 PolarHBondContact O-N 3.19Å; E1028-K1031 VanDerWaalsContact O-N 3.14Å; E1028-K1031 IonicContact OE1-NZ 2.79Å; E1028-K1031 PolarHBondContact OE1-NZ 3.27Å; E1028-K1031 WeakPolarHBondContact OE2-CD 3.3Å; E1028-K1031 IonicContact OE2-NZ 2.84Å; E1028-K1031 PolarHBondContact OE2-NZ 3.42Å; E1028-D1032 PolarHBondContact O-N 3.11Å
1029	S	82.2	Confident	84.5	Confident	33 Å²	33	41 Å²	41	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-38.9	172.6	-58.8	0	0	0	0	111.7	I542 G1025 C1026 W1033	I542-S1029 WeakPolarHBondContact CD1-O 3.47Å; G1025-S1029 VanDerWaalsContact O-CB 3.31Å; G1025-S1029 WeakPolarHBondContact O-CB 3.34Å; G1025-S1029 PolarHBondContact O-N 3.43Å; G1025-S1029 PolarHBondContact O-OG 2.53Å; C1026-S1029 WeakPolarHBondContact O-CB 3.48Å; C1026-S1029 PolarHBondContact O-N 3.03Å; S1029-W1033 VanDerWaalsContact O-CB 3.28Å; S1029-W1033 WeakPolarHBondContact O-CB 3.34Å; S1029-W1033 PolarHBondContact O-N 2.87Å
1030	L	80.9	Confident	83.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.8	-44	173.8	-81.7	171.9	0	0	0	111.4	I542 L858 A889 L924 R925 C1026 I1027 E1028 D1032 W1033 M1034 F1038	I542-L1030 HydrophobicContact CD1-CB 4.35Å; I542-L1030 HydrophobicContact CD1-CD2 3.79Å; I542-L1030 HydrophobicContact CD1-CG 3.84Å; L858-L1030 HydrophobicContact CD1-CD2 4.45Å; A889-L1030 VanDerWaalsContact O-CD1 3.22Å; A889-L1030 WeakPolarHBondContact O-CD1 3.27Å; A889-L1030 WeakPolarHBondContact O-CG 3.16Å; L924-L1030 HydrophobicContact CB-CD1 3.6Å; R925-L1030 HydrophobicContact CG-CD1 4.28Å; R925-L1030 HydrophobicContact CG-CD2 4.14Å; C1026-L1030 WeakPolarHBondContact O-CB 3.15Å; C1026-L1030 WeakPolarHBondContact O-CG 3.43Å; C1026-L1030 PolarHBondContact O-N 2.69Å; I1027-L1030 PolarHBondContact O-N 2.74Å; E1028-L1030 PolarHBondContact O-N 3.42Å; L1030-D1032 VanDerWaalsContact C-N 3.33Å; L1030-D1032 PolarHBondContact O-N 3.44Å; L1030-W1033 CarbonylContact O-C 3.02Å; L1030-W1033 WeakPolarHBondContact O-CA 3.45Å; L1030-W1033 PolarHBondContact O-N 3.27Å; L1030-M1034 HydrophobicContact CD2-CE 3.99Å; L1030-M1034 HydrophobicContact CD2-SD 4.23Å; L1030-M1034 WeakPolarHBondContact O-CG 3.34Å; L1030-M1034 PolarHBondContact O-N 3.45Å; L1030-F1038 HydrophobicContact CB-CE2 3.74Å; L1030-F1038 HydrophobicContact CB-CZ 3.91Å; L1030-F1038 HydrophobicContact CD1-CZ 4.47Å
1031	K	82.3	Confident	83.1	Confident	58 Å²	58	44.4 Å²	44.4	25%	0.252	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-41.2	175.8	-74.6	161.3	173	177.6	0	112.7	I1027 E1028 W1033 M1034 P1035 F1038	I1027-K1031 HydrophobicContact CG2-CD 4.26Å; I1027-K1031 WeakPolarHBondContact O-CG 3.37Å; I1027-K1031 PolarHBondContact O-N 3.38Å; E1028-K1031 VanDerWaalsContact CD-NZ 3.31Å; E1028-K1031 PolarHBondContact O-N 3.19Å; E1028-K1031 VanDerWaalsContact O-N 3.14Å; E1028-K1031 IonicContact OE1-NZ 2.79Å; E1028-K1031 PolarHBondContact OE1-NZ 3.27Å; E1028-K1031 WeakPolarHBondContact OE2-CD 3.3Å; E1028-K1031 IonicContact OE2-NZ 2.84Å; E1028-K1031 PolarHBondContact OE2-NZ 3.42Å; K1031-W1033 VanDerWaalsContact C-N 3.32Å; K1031-M1034 CarbonylContact O-C 3.53Å; K1031-P1035 WeakPolarHBondContact O-CA 3.49Å; K1031-P1035 WeakPolarHBondContact O-CB 3.25Å; K1031-P1035 VanDerWaalsContact O-CD 3.31Å; K1031-P1035 WeakPolarHBondContact O-CD 3.26Å; K1031-F1038 HydrophobicContact CB-CD2 4.38Å; K1031-F1038 HydrophobicContact CG-CB 3.92Å; K1031-F1038 HydrophobicContact CG-CD1 3.83Å; K1031-F1038 HydrophobicContact CG-CD2 3.8Å; K1031-F1038 HydrophobicContact CG-CE1 4.29Å; K1031-F1038 HydrophobicContact CG-CE2 4.28Å; K1031-F1038 HydrophobicContact CG-CG 3.55Å; K1031-F1038 HydrophobicContact CG-CZ 4.49Å
1032	D	77.5	Confident	82.7	Confident	116 Å²	116	42.2 Å²	42.2	62%	0.62	23%	0.227	S	C	*	.	H	α-helix	trans	-65.8	-35.6	172.9	-83.2	-20	0	0	0	111.7	E1028 L1030	E1028-D1032 PolarHBondContact O-N 3.11Å; L1030-D1032 VanDerWaalsContact C-N 3.33Å; L1030-D1032 PolarHBondContact O-N 3.44Å
1033	W	72.3	Confident	82.2	Confident	13 Å²	13	45.5 Å²	45.5	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-80.5	-22.5	179.1	-161.5	84.4	0	0	0	114.3	I542 A544 P653 Y792 L797 L858 S1029 L1030 K1031	I542-W1033 HydrophobicContact CB-CG 4.26Å; I542-W1033 HydrophobicContact CD1-CB 4.12Å; I542-W1033 HydrophobicContact CG2-CB 4.37Å; I542-W1033 HydrophobicContact CG2-CD2 3.8Å; I542-W1033 HydrophobicContact CG2-CE3 4.31Å; I542-W1033 HydrophobicContact CG2-CG 3.73Å; A544-W1033 HydrophobicContact CB-CH2 3.45Å; A544-W1033 VanDerWaalsContact CB-CH2 3.45Å; A544-W1033 HydrophobicContact CB-CZ2 3.25Å; P653-W1033 VanDerWaalsContact CA-O 3.23Å; P653-W1033 WeakPolarHBondContact CA-O 3.32Å; P653-W1033 HydrophobicContact CB-CG 4.37Å; P653-W1033 VanDerWaalsContact CB-O 3.23Å; P653-W1033 WeakPolarHBondContact CB-O 3.24Å; P653-W1033 HydrophobicContact CG-CG 4.33Å; Y792-W1033 HydrophobicContact CD2-CZ3 4.43Å; Y792-W1033 HydrophobicContact CE2-CE3 4.37Å; Y792-W1033 HydrophobicContact CE2-CH2 4.34Å; Y792-W1033 AromaticContact CE2-CZ3 3.77Å; Y792-W1033 HydrophobicContact CE2-CZ3 3.77Å; L797-W1033 HydrophobicContact CD2-CH2 3.88Å; L797-W1033 HydrophobicContact CD2-CZ3 3.72Å; L858-W1033 HydrophobicContact CD2-CE3 4.29Å; L858-W1033 HydrophobicContact CD2-CH2 4.05Å; L858-W1033 HydrophobicContact CD2-CZ3 3.84Å; S1029-W1033 VanDerWaalsContact O-CB 3.28Å; S1029-W1033 WeakPolarHBondContact O-CB 3.34Å; S1029-W1033 PolarHBondContact O-N 2.87Å; L1030-W1033 CarbonylContact O-C 3.02Å; L1030-W1033 WeakPolarHBondContact O-CA 3.45Å; L1030-W1033 PolarHBondContact O-N 3.27Å; K1031-W1033 VanDerWaalsContact C-N 3.32Å
1034	M	73.6	Confident	81.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.256	C	S	.	.			trans	-146.9	60.1	-177.9	49.9	168.7	71.6	0	0	112.9	Y792 L858 R925 L1030 K1031 G1036 H1037 F1038	Y792-M1034 HydrophobicContact CD2-CB 4.5Å; Y792-M1034 HydrophobicContact CE1-CB 4.14Å; Y792-M1034 HydrophobicContact CE2-CB 3.46Å; Y792-M1034 VanDerWaalsContact CE2-CB 3.46Å; Y792-M1034 HydrophobicContact CE2-CE 4.38Å; Y792-M1034 WeakPolarHBondContact OH-CB 3.11Å; Y792-M1034 VanDerWaalsContact OH-CE 3.29Å; Y792-M1034 WeakPolarHBondContact OH-CE 3.38Å; Y792-M1034 PolarHBondContact OH-SD 3.48Å; Y792-M1034 VanDerWaalsContact OH-SD 3.33Å; L858-M1034 HydrophobicContact CD1-CE 4.49Å; R925-M1034 HydrophobicContact CB-SD 4.22Å; R925-M1034 HydrophobicContact CG-CE 4.04Å; R925-M1034 HydrophobicContact CG-SD 4.15Å; L1030-M1034 HydrophobicContact CD2-CE 3.99Å; L1030-M1034 HydrophobicContact CD2-SD 4.23Å; L1030-M1034 WeakPolarHBondContact O-CG 3.34Å; L1030-M1034 PolarHBondContact O-N 3.45Å; K1031-M1034 CarbonylContact O-C 3.53Å; M1034-G1036 VanDerWaalsContact C-N 3.28Å; M1034-G1036 PolarHBondContact O-N 2.96Å; M1034-H1037 HydrophobicContact CB-CB 4.1Å; M1034-H1037 HydrophobicContact CG-CB 4.33Å; M1034-H1037 WeakPolarHBondContact O-CB 3.18Å; M1034-H1037 PolarHBondContact O-N 2.66Å; M1034-H1037 VanDerWaalsContact O-N 3.11Å; M1034-H1037 HydrophobicContact SD-CB 4.12Å; M1034-F1038 HydrophobicContact CG-CD2 3.91Å; M1034-F1038 HydrophobicContact CG-CE2 3.68Å; M1034-F1038 PolarHBondContact O-N 2.9Å; M1034-F1038 HydrophobicContact SD-CD2 4.3Å; M1034-F1038 HydrophobicContact SD-CE2 3.7Å
1035	P	76	Confident	81.2	Confident	57 Å²	57	48.8 Å²	48.8	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-31.6	-173	24.5	-34.3	0	0	0	113	K1031 H1037 N1039	K1031-P1035 WeakPolarHBondContact O-CA 3.49Å; K1031-P1035 WeakPolarHBondContact O-CB 3.25Å; K1031-P1035 VanDerWaalsContact O-CD 3.31Å; K1031-P1035 WeakPolarHBondContact O-CD 3.26Å; P1035-H1037 VanDerWaalsContact C-N 3.33Å; P1035-H1037 PolarHBondContact O-N 2.92Å; P1035-N1039 WeakPolarHBondContact O-CB 3.32Å; P1035-N1039 PolarHBondContact O-N 3.2Å; P1035-N1039 PolarHBondContact O-ND2 3.02Å; P1035-N1039 VanDerWaalsContact O-ND2 3.17Å
1036	G	73	Confident	81	Confident	24 Å²	24	51.2 Å²	51.2	25%	0.247	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-39.8	175.5	0	0	0	0	0	113	M1034 F1040	M1034-G1036 VanDerWaalsContact C-N 3.28Å; M1034-G1036 PolarHBondContact O-N 2.96Å; G1036-F1040 WeakPolarHBondContact O-CB 3.46Å; G1036-F1040 PolarHBondContact O-N 3.19Å
1037	H	76.9	Confident	80.8	Confident	52 Å²	52	58.8 Å²	58.8	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-52.6	178.8	-177	77.3	0	0	0	111.6	Y792 R925 M1034 P1035 N1039 F1040 L1041	Y792-H1037 HydrophobicContact CE1-CB 3.91Å; R925-H1037 PolarHBondContact O-CD2 3.41Å; R925-H1037 VanDerWaalsContact O-CD2 3.29Å; R925-H1037 PolarHBondContact O-NE2 3.01Å; M1034-H1037 HydrophobicContact CB-CB 4.1Å; M1034-H1037 HydrophobicContact CG-CB 4.33Å; M1034-H1037 WeakPolarHBondContact O-CB 3.18Å; M1034-H1037 PolarHBondContact O-N 2.66Å; M1034-H1037 VanDerWaalsContact O-N 3.11Å; M1034-H1037 HydrophobicContact SD-CB 4.12Å; P1035-H1037 VanDerWaalsContact C-N 3.33Å; P1035-H1037 PolarHBondContact O-N 2.92Å; H1037-N1039 VanDerWaalsContact C-N 3.34Å; H1037-N1039 PolarHBondContact O-N 2.92Å; H1037-F1040 WeakPolarHBondContact O-CB 3.35Å; H1037-F1040 PolarHBondContact O-N 2.94Å; H1037-L1041 WeakPolarHBondContact O-CB 3.49Å; H1037-L1041 PolarHBondContact O-N 3.35Å
1038	F	81.4	Confident	80.5	Confident	16 Å²	16	60.1 Å²	60.1	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-33.1	179.7	-75.2	-88.2	0	0	0	112.7	I927 I1027 L1030 K1031 M1034 L1041 S1042	I927-F1038 WeakPolarHBondContact O-CE1 3.45Å; I1027-F1038 HydrophobicContact CG2-CE1 4.43Å; L1030-F1038 HydrophobicContact CB-CE2 3.74Å; L1030-F1038 HydrophobicContact CB-CZ 3.91Å; L1030-F1038 HydrophobicContact CD1-CZ 4.47Å; K1031-F1038 HydrophobicContact CB-CD2 4.38Å; K1031-F1038 HydrophobicContact CG-CB 3.92Å; K1031-F1038 HydrophobicContact CG-CD1 3.83Å; K1031-F1038 HydrophobicContact CG-CD2 3.8Å; K1031-F1038 HydrophobicContact CG-CE1 4.29Å; K1031-F1038 HydrophobicContact CG-CE2 4.28Å; K1031-F1038 HydrophobicContact CG-CG 3.55Å; K1031-F1038 HydrophobicContact CG-CZ 4.49Å; M1034-F1038 HydrophobicContact CG-CD2 3.91Å; M1034-F1038 HydrophobicContact CG-CE2 3.68Å; M1034-F1038 PolarHBondContact O-N 2.9Å; M1034-F1038 HydrophobicContact SD-CD2 4.3Å; M1034-F1038 HydrophobicContact SD-CE2 3.7Å; F1038-L1041 PolarHBondContact O-N 2.88Å; F1038-S1042 WeakPolarHBondContact O-CB 2.97Å; F1038-S1042 PolarHBondContact O-N 3.3Å; F1038-S1042 PolarHBondContact O-OG 3.36Å
1039	N	81	Confident	80.4	Confident	92 Å²	92	61.5 Å²	61.5	49%	0.492	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-35	172.7	-75.2	-21	0	0	0	112.8	P1035 H1037 S1042 R1043	P1035-N1039 WeakPolarHBondContact O-CB 3.32Å; P1035-N1039 PolarHBondContact O-N 3.2Å; P1035-N1039 PolarHBondContact O-ND2 3.02Å; P1035-N1039 VanDerWaalsContact O-ND2 3.17Å; H1037-N1039 VanDerWaalsContact C-N 3.34Å; H1037-N1039 PolarHBondContact O-N 2.92Å; N1039-S1042 PolarHBondContact O-OG 2.74Å; N1039-R1043 WeakPolarHBondContact O-CD 3.45Å; N1039-R1043 WeakPolarHBondContact O-CG 3.46Å; N1039-R1043 PolarHBondContact O-N 2.91Å
1040	F	79	Confident	80.5	Confident	95 Å²	95	60.9 Å²	60.9	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-67.1	-55.7	171.2	-178	-84.8	0	0	0	109.5	W1001 G1036 H1037 S1042 R1043 Y1044	W1001-F1040 HydrophobicContact CH2-CE1 4.18Å; W1001-F1040 HydrophobicContact CZ2-CE1 4.33Å; G1036-F1040 WeakPolarHBondContact O-CB 3.46Å; G1036-F1040 PolarHBondContact O-N 3.19Å; H1037-F1040 WeakPolarHBondContact O-CB 3.35Å; H1037-F1040 PolarHBondContact O-N 2.94Å; F1040-S1042 VanDerWaalsContact C-N 3.3Å; F1040-S1042 PolarHBondContact O-N 2.59Å; F1040-R1043 WeakPolarHBondContact O-CB 3.43Å; F1040-R1043 PolarHBondContact O-N 3.1Å; F1040-Y1044 AromaticContact CD1-CD2 3.85Å; F1040-Y1044 HydrophobicContact CD1-CD2 3.85Å; F1040-Y1044 AromaticContact CD1-CE2 3.93Å; F1040-Y1044 HydrophobicContact CD1-CE2 3.93Å; F1040-Y1044 HydrophobicContact CD2-CD2 4.43Å; F1040-Y1044 AromaticContact CD2-CE2 3.85Å; F1040-Y1044 HydrophobicContact CD2-CE2 3.85Å; F1040-Y1044 AromaticContact CE1-CD2 3.71Å; F1040-Y1044 HydrophobicContact CE1-CD2 3.71Å; F1040-Y1044 AromaticContact CE1-CE2 3.51Å; F1040-Y1044 HydrophobicContact CE1-CE2 3.51Å; F1040-Y1044 HydrophobicContact CE1-CG 4.35Å; F1040-Y1044 AromaticContact CE1-CZ 3.96Å; F1040-Y1044 HydrophobicContact CE2-CD2 4.31Å; F1040-Y1044 AromaticContact CE2-CE2 3.43Å; F1040-Y1044 HydrophobicContact CE2-CE2 3.43Å; F1040-Y1044 VanDerWaalsContact CE2-CE2 3.43Å; F1040-Y1044 AromaticContact CE2-CZ 3.91Å; F1040-Y1044 HydrophobicContact CG-CD2 4.22Å; F1040-Y1044 HydrophobicContact CG-CE2 4.09Å; F1040-Y1044 AromaticContact CZ-CD2 3.97Å; F1040-Y1044 HydrophobicContact CZ-CD2 3.97Å; F1040-Y1044 HydrophobicContact CZ-CE1 4.36Å; F1040-Y1044 AromaticContact CZ-CE2 3.24Å; F1040-Y1044 HydrophobicContact CZ-CE2 3.24Å; F1040-Y1044 AromaticContact CZ-CZ 3.47Å; F1040-Y1044 VanDerWaalsContact CZ-CZ 3.47Å; F1040-Y1044 WeakPolarHBondContact O-CD2 3.26Å; F1040-Y1044 PolarHBondContact O-N 3.23Å; F1040-Y1044 VanDerWaalsContact O-N 3.15Å
1041	L	82.4	Confident	80.6	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-55.9	-41.2	-176.9	-160.1	69.3	0	0	0	112.3	V928 L951 W1001 H1037 F1038 Y1044 D1045	V928-L1041 HydrophobicContact CG1-CD2 3.52Å; V928-L1041 HydrophobicContact CG1-CG 3.54Å; L951-L1041 HydrophobicContact CB-CD1 4.29Å; W1001-L1041 HydrophobicContact CH2-CD1 4.46Å; W1001-L1041 HydrophobicContact CZ3-CD1 4.06Å; H1037-L1041 WeakPolarHBondContact O-CB 3.49Å; H1037-L1041 PolarHBondContact O-N 3.35Å; F1038-L1041 PolarHBondContact O-N 2.88Å; L1041-Y1044 PolarHBondContact O-N 3.24Å; L1041-D1045 VanDerWaalsContact O-CB 3.22Å; L1041-D1045 WeakPolarHBondContact O-CB 3.48Å; L1041-D1045 PolarHBondContact O-N 3.05Å
1042	S	84.9	Confident	80.7	Confident	48 Å²	48	65.3 Å²	65.3	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-70.5	-26.9	176.4	64.6	0	0	0	0	114.3	F1038 N1039 F1040 A1046	F1038-S1042 WeakPolarHBondContact O-CB 2.97Å; F1038-S1042 PolarHBondContact O-N 3.3Å; F1038-S1042 PolarHBondContact O-OG 3.36Å; N1039-S1042 PolarHBondContact O-OG 2.74Å; F1040-S1042 VanDerWaalsContact C-N 3.3Å; F1040-S1042 PolarHBondContact O-N 2.59Å; S1042-A1046 WeakPolarHBondContact O-CB 3.44Å; S1042-A1046 PolarHBondContact O-N 3.47Å; S1042-A1046 VanDerWaalsContact O-N 3.15Å
1043	R	82.9	Confident	80.8	Confident	173 Å²	173	62.8 Å²	62.8	65%	0.653	33%	0.325	S	S	*	.	H	α-helix	trans	-73.1	-38.3	174.6	-75.6	167.8	-179.2	-173.9	0.1	111.8	N1039 F1040 Q1047	N1039-R1043 WeakPolarHBondContact O-CD 3.45Å; N1039-R1043 WeakPolarHBondContact O-CG 3.46Å; N1039-R1043 PolarHBondContact O-N 2.91Å; F1040-R1043 WeakPolarHBondContact O-CB 3.43Å; F1040-R1043 PolarHBondContact O-N 3.1Å; R1043-Q1047 WeakPolarHBondContact O-CG 3.36Å
1044	Y	81.2	Confident	81.2	Confident	84 Å²	84	62.4 Å²	62.4	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-71.9	-45.2	175.3	-80.5	-105.3	0	0	0	110.7	W1001 F1040 L1041 A1046 Q1047 L1048	W1001-Y1044 AromaticContact CE2-CD1 3.66Å; W1001-Y1044 HydrophobicContact CH2-CD1 4.38Å; W1001-Y1044 HydrophobicContact CH2-CG 4.45Å; W1001-Y1044 AromaticContact CZ2-CD1 3.45Å; W1001-Y1044 HydrophobicContact CZ2-CD1 3.45Å; W1001-Y1044 VanDerWaalsContact CZ2-CD1 3.45Å; W1001-Y1044 AromaticContact CZ2-CE1 3.88Å; W1001-Y1044 HydrophobicContact CZ2-CE1 3.88Å; W1001-Y1044 AromaticContact CZ2-CG 3.93Å; W1001-Y1044 HydrophobicContact CZ2-CG 3.93Å; W1001-Y1044 AromaticContact NE1-CD1 3.7Å; F1040-Y1044 AromaticContact CD1-CD2 3.85Å; F1040-Y1044 HydrophobicContact CD1-CD2 3.85Å; F1040-Y1044 AromaticContact CD1-CE2 3.93Å; F1040-Y1044 HydrophobicContact CD1-CE2 3.93Å; F1040-Y1044 HydrophobicContact CD2-CD2 4.43Å; F1040-Y1044 AromaticContact CD2-CE2 3.85Å; F1040-Y1044 HydrophobicContact CD2-CE2 3.85Å; F1040-Y1044 AromaticContact CE1-CD2 3.71Å; F1040-Y1044 HydrophobicContact CE1-CD2 3.71Å; F1040-Y1044 AromaticContact CE1-CE2 3.51Å; F1040-Y1044 HydrophobicContact CE1-CE2 3.51Å; F1040-Y1044 HydrophobicContact CE1-CG 4.35Å; F1040-Y1044 AromaticContact CE1-CZ 3.96Å; F1040-Y1044 HydrophobicContact CE2-CD2 4.31Å; F1040-Y1044 AromaticContact CE2-CE2 3.43Å; F1040-Y1044 HydrophobicContact CE2-CE2 3.43Å; F1040-Y1044 VanDerWaalsContact CE2-CE2 3.43Å; F1040-Y1044 AromaticContact CE2-CZ 3.91Å; F1040-Y1044 HydrophobicContact CG-CD2 4.22Å; F1040-Y1044 HydrophobicContact CG-CE2 4.09Å; F1040-Y1044 AromaticContact CZ-CD2 3.97Å; F1040-Y1044 HydrophobicContact CZ-CD2 3.97Å; F1040-Y1044 HydrophobicContact CZ-CE1 4.36Å; F1040-Y1044 AromaticContact CZ-CE2 3.24Å; F1040-Y1044 HydrophobicContact CZ-CE2 3.24Å; F1040-Y1044 AromaticContact CZ-CZ 3.47Å; F1040-Y1044 VanDerWaalsContact CZ-CZ 3.47Å; F1040-Y1044 WeakPolarHBondContact O-CD2 3.26Å; F1040-Y1044 PolarHBondContact O-N 3.23Å; F1040-Y1044 VanDerWaalsContact O-N 3.15Å; L1041-Y1044 PolarHBondContact O-N 3.24Å; Y1044-A1046 VanDerWaalsContact C-N 3.25Å; Y1044-A1046 PolarHBondContact O-N 2.94Å; Y1044-Q1047 CarbonylContact O-C 3.51Å; Y1044-Q1047 WeakPolarHBondContact O-CA 3.39Å; Y1044-Q1047 PolarHBondContact O-N 2.77Å; Y1044-L1048 HydrophobicContact CD1-CD1 4.49Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.28Å; Y1044-L1048 WeakPolarHBondContact O-CD1 3.47Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.32Å; Y1044-L1048 PolarHBondContact O-N 3.43Å; Y1044-L1048 VanDerWaalsContact O-N 3.08Å
1045	D	85.7	Confident	81.5	Confident	26 Å²	26	62.8 Å²	62.8	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-52.9	-40.6	173.3	-175.8	52	0	0	0	112.8	V928 R949 L951 L1041 Q1047	V928-D1045 HydrophobicContact CG1-CB 4.31Å; R949-D1045 IonicContact CZ-OD1 2.73Å; R949-D1045 IonicContact CZ-OD2 3.41Å; R949-D1045 IonicContact NH1-OD1 3.44Å; R949-D1045 PolarHBondContact NH1-OD1 3.31Å; R949-D1045 IonicContact NH2-OD1 2.65Å; R949-D1045 PolarHBondContact NH2-OD1 3.18Å; R949-D1045 IonicContact NH2-OD2 3.43Å; R949-D1045 PolarHBondContact NH2-OD2 3.35Å; L951-D1045 HydrophobicContact CD1-CB 3.85Å; L1041-D1045 VanDerWaalsContact O-CB 3.22Å; L1041-D1045 WeakPolarHBondContact O-CB 3.48Å; L1041-D1045 PolarHBondContact O-N 3.05Å; D1045-Q1047 PolarHBondContact O-N 3.46Å
1046	A	84.8	Confident	81.5	Confident	85 Å²	85	60.5 Å²	60.5	70%	0.702	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-2.4	176.1	0	0	0	0	0	115.2	S1042 Y1044	S1042-A1046 WeakPolarHBondContact O-CB 3.44Å; S1042-A1046 PolarHBondContact O-N 3.47Å; S1042-A1046 VanDerWaalsContact O-N 3.15Å; Y1044-A1046 VanDerWaalsContact C-N 3.25Å; Y1044-A1046 PolarHBondContact O-N 2.94Å
1047	Q	82.6	Confident	81.4	Confident	160 Å²	160	64.1 Å²	64.1	75%	0.748	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-6.5	-178.2	-68.7	178.8	11.4	0	0	113.7	R1043 Y1044 D1045	R1043-Q1047 WeakPolarHBondContact O-CG 3.36Å; Y1044-Q1047 CarbonylContact O-C 3.51Å; Y1044-Q1047 WeakPolarHBondContact O-CA 3.39Å; Y1044-Q1047 PolarHBondContact O-N 2.77Å; D1045-Q1047 PolarHBondContact O-N 3.46Å
1048	L	83.7	Confident	81.2	Confident	30 Å²	30	61.9 Å²	61.9	16%	0.157	31%	0.313	C	S	.	.			trans	-111.3	131.7	-171.8	-69.6	168	0	0	0	112.1	W1001 Y1044 F1050	W1001-L1048 HydrophobicContact CB-CD1 3.85Å; W1001-L1048 HydrophobicContact CD2-CD1 3.77Å; W1001-L1048 HydrophobicContact CE3-CD1 4.43Å; W1001-L1048 HydrophobicContact CG-CD1 3.46Å; W1001-L1048 VanDerWaalsContact CG-CD1 3.46Å; W1001-L1048 HydrophobicContact CG-CD2 4.41Å; Y1044-L1048 HydrophobicContact CD1-CD1 4.49Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.28Å; Y1044-L1048 WeakPolarHBondContact O-CD1 3.47Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.32Å; Y1044-L1048 PolarHBondContact O-N 3.43Å; Y1044-L1048 VanDerWaalsContact O-N 3.08Å; L1048-F1050 HydrophobicContact CB-CE2 3.73Å; L1048-F1050 HydrophobicContact CB-CZ 3.78Å; L1048-F1050 HydrophobicContact CD1-CZ 3.89Å; L1048-F1050 HydrophobicContact CG-CZ 4.46Å
1049	E	84.4	Confident	80.2	Confident	123 Å²	123	61.2 Å²	61.2	58%	0.575	31%	0.31	S	S	*	.			trans	-103.2	113.7	170.9	-70.3	-167	176.7	0	0	111.5	S996 T997 N1051	S996-E1049 WeakPolarHBondContact CA-O 3.49Å; T997-E1049 HydrophobicContact CG2-CB 4.48Å; E1049-N1051 PolarHBondContact O-N 3.47Å; E1049-N1051 PolarHBondContact OE2-ND2 3.41Å
1050	F	84.7	Confident	79	Confident	20 Å²	20	59.8 Å²	59.8	9%	0.088	31%	0.311	C	S	.	.			trans	-83.6	59.6	179.3	-64.6	-77.1	0	0	0	112.3	L951 R994 A995 W1001 E1003 L1048	L951-F1050 HydrophobicContact CD1-CE2 3.92Å; L951-F1050 HydrophobicContact CD1-CZ 3.85Å; L951-F1050 HydrophobicContact CD2-CD2 4.29Å; L951-F1050 HydrophobicContact CD2-CE1 4.11Å; L951-F1050 HydrophobicContact CD2-CE2 3.59Å; L951-F1050 HydrophobicContact CD2-CZ 3.49Å; L951-F1050 VanDerWaalsContact CD2-CZ 3.49Å; L951-F1050 HydrophobicContact CG-CE2 4.41Å; L951-F1050 HydrophobicContact CG-CZ 4.23Å; R994-F1050 HydrophobicContact CB-CB 4.24Å; R994-F1050 VanDerWaalsContact CD-O 3.22Å; R994-F1050 WeakPolarHBondContact CD-O 3.27Å; A995-F1050 CarbonylContact O-C 3.46Å; A995-F1050 WeakPolarHBondContact O-CA 3.23Å; W1001-F1050 HydrophobicContact CB-CE1 3.77Å; W1001-F1050 HydrophobicContact CB-CZ 4.04Å; E1003-F1050 HydrophobicContact CB-CB 4.04Å; E1003-F1050 HydrophobicContact CB-CD1 3.55Å; E1003-F1050 HydrophobicContact CB-CD2 4.12Å; E1003-F1050 HydrophobicContact CB-CE1 4.04Å; E1003-F1050 HydrophobicContact CB-CG 3.6Å; L1048-F1050 HydrophobicContact CB-CE2 3.73Å; L1048-F1050 HydrophobicContact CB-CZ 3.78Å; L1048-F1050 HydrophobicContact CD1-CZ 3.89Å; L1048-F1050 HydrophobicContact CG-CZ 4.46Å
1051	N	82.9	Confident	78	Confident	93 Å²	93	60 Å²	60	50%	0.497	32%	0.316	S	S	.	.			trans	-97.7	-15.1	-174.3	-80.7	-30.6	0	0	0	114	A995 E1049	A995-N1051 PolarHBondContact O-N 2.8Å; E1049-N1051 PolarHBondContact O-N 3.47Å; E1049-N1051 PolarHBondContact OE2-ND2 3.41Å
1052	Q	83	Confident	76.9	Confident	58 Å²	58	62.2 Å²	62.2	27%	0.271	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-82.8	133.4	-176.2	-62.9	-63.4	-30.1	0	0	112.1	A995 S996 Y999	A995-Q1052 HydrophobicContact CB-CB 3.98Å; A995-Q1052 PolarHBondContact N-O 3.35Å; A995-Q1052 WeakPolarHBondContact O-CB 3.18Å; A995-Q1052 PolarHBondContact O-N 3.18Å; A995-Q1052 VanDerWaalsContact O-N 3.09Å; S996-Q1052 VanDerWaalsContact O-CG 3.29Å; S996-Q1052 WeakPolarHBondContact O-CG 3.45Å; Y999-Q1052 HydrophobicContact CD2-CG 4.33Å; Y999-Q1052 HydrophobicContact CE1-CB 4.11Å; Y999-Q1052 HydrophobicContact CE2-CB 4.06Å; Y999-Q1052 HydrophobicContact CE2-CG 3.62Å; Y999-Q1052 PolarHBondContact OH-OE1 2.93Å
1053	P	81.5	Confident	75.2	Confident	63 Å²	63	61.5 Å²	61.5	41%	0.409	32%	0.319	S	S	.	.			trans	-71.8	152.9	173.9	32.6	-34.9	0	0	0	110.9	E989	E989-P1053 HydrophobicContact CG-CB 3.97Å
1054	V	79.2	Confident	73	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.03	32%	0.316	C	S	.	.			trans	-136.2	149.1	179.9	-178.8	0	0	0	0	108	L959 S990 A995 L1002 L1058	L959-V1054 HydrophobicContact CD2-CG1 4.22Å; S990-V1054 WeakPolarHBondContact CB-O 3.42Å; S990-V1054 PolarHBondContact N-O 2.89Å; A995-V1054 HydrophobicContact CB-CG2 3.65Å; L1002-V1054 HydrophobicContact CD1-CG1 4.4Å; L1002-V1054 HydrophobicContact CD1-CG2 3.95Å; V1054-L1058 HydrophobicContact CG1-CB 4.13Å; V1054-L1058 HydrophobicContact CG1-CD2 3.46Å; V1054-L1058 VanDerWaalsContact CG1-CD2 3.46Å; V1054-L1058 HydrophobicContact CG1-CG 4.43Å
1055	S	79.4	Confident	70.7	Confident	8 Å²	8	58.6 Å²	58.6	6%	0.056	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-64.4	138.2	179.7	-171.5	0	0	0	0	112.2	S962 N988 Q1057 L1058	S962-S1055 WeakPolarHBondContact O-CB 3.41Å; N988-S1055 CarbonylContact O-C 3.52Å; N988-S1055 VanDerWaalsContact O-CA 3.24Å; N988-S1055 WeakPolarHBondContact O-CA 3.24Å; S1055-Q1057 PolarHBondContact O-N 3.4Å; S1055-Q1057 WeakPolarHBondContact OG-CB 3.23Å; S1055-Q1057 WeakPolarHBondContact OG-CG 3.4Å; S1055-Q1057 PolarHBondContact OG-N 3.26Å; S1055-Q1057 PolarHBondContact OG-OE1 3.28Å; S1055-L1058 VanDerWaalsContact O-CB 3.32Å; S1055-L1058 WeakPolarHBondContact O-CB 3.39Å; S1055-L1058 PolarHBondContact O-N 3.49Å
1056	S	77.3	Confident	67.8	Low	10 Å²	10	62.8 Å²	62.8	7%	0.07	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.7	170	61.7	0	0	0	0	112.7	E873 G876 N988 L1058 G1059	E873-S1056 VanDerWaalsContact OE1-CB 3.23Å; E873-S1056 WeakPolarHBondContact OE1-CB 3.34Å; G876-S1056 PolarHBondContact N-OG 3.35Å; N988-S1056 PolarHBondContact O-N 3.37Å; S1056-L1058 PolarHBondContact O-N 3.3Å; S1056-G1059 PolarHBondContact O-N 3.27Å; S1056-G1059 VanDerWaalsContact O-N 3.14Å
1057	Q	71.6	Confident	64.9	Low	99 Å²	99	63.8 Å²	63.8	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-27.5	171.4	-65.4	164.3	-41.9	0	0	113	S1055 G1059 A1060	S1055-Q1057 PolarHBondContact O-N 3.4Å; S1055-Q1057 WeakPolarHBondContact OG-CB 3.23Å; S1055-Q1057 WeakPolarHBondContact OG-CG 3.4Å; S1055-Q1057 PolarHBondContact OG-N 3.26Å; S1055-Q1057 PolarHBondContact OG-OE1 3.28Å; Q1057-G1059 PolarHBondContact O-N 3.45Å; Q1057-A1060 PolarHBondContact O-N 3.4Å
1058	L	70.8	Confident	62.2	Low	6 Å²	6	60.1 Å²	60.1	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-27	177.9	-173.6	65.1	0	0	0	112.1	L959 L1002 V1054 S1055 S1056 A1060 L1061 L1062	L959-L1058 HydrophobicContact CD2-CD2 3.74Å; L1002-L1058 HydrophobicContact CD1-CD2 4.13Å; L1002-L1058 HydrophobicContact CD2-CD2 3.75Å; V1054-L1058 HydrophobicContact CG1-CB 4.13Å; V1054-L1058 HydrophobicContact CG1-CD2 3.46Å; V1054-L1058 VanDerWaalsContact CG1-CD2 3.46Å; V1054-L1058 HydrophobicContact CG1-CG 4.43Å; S1055-L1058 VanDerWaalsContact O-CB 3.32Å; S1055-L1058 WeakPolarHBondContact O-CB 3.39Å; S1055-L1058 PolarHBondContact O-N 3.49Å; S1056-L1058 PolarHBondContact O-N 3.3Å; L1058-A1060 VanDerWaalsContact C-N 3.34Å; L1058-A1060 PolarHBondContact O-N 2.85Å; L1058-L1061 HydrophobicContact CD1-CB 4.47Å; L1058-L1061 HydrophobicContact CD1-CD1 4.37Å; L1058-L1061 PolarHBondContact O-N 3.44Å; L1058-L1062 HydrophobicContact CD1-CD1 4.13Å; L1058-L1062 HydrophobicContact CD1-CG 4.15Å; L1058-L1062 HydrophobicContact CD2-CD1 3.94Å; L1058-L1062 HydrophobicContact CG-CD1 3.71Å; L1058-L1062 HydrophobicContact CG-CG 4.12Å; L1058-L1062 PolarHBondContact O-N 2.55Å
1059	G	60.7	Low	59.4	Low	1 Å²	1	65.5 Å²	65.5	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-40.7	176.3	0	0	0	0	0	113	S1056 Q1057 L1061 L1062 I1063	S1056-G1059 PolarHBondContact O-N 3.27Å; S1056-G1059 VanDerWaalsContact O-N 3.14Å; Q1057-G1059 PolarHBondContact O-N 3.45Å; G1059-L1061 VanDerWaalsContact C-N 3.28Å; G1059-L1061 PolarHBondContact O-N 3.24Å; G1059-L1062 PolarHBondContact O-N 2.79Å; G1059-I1063 WeakPolarHBondContact O-CB 3.42Å; G1059-I1063 WeakPolarHBondContact O-CG1 3.24Å; G1059-I1063 PolarHBondContact O-N 2.67Å
1060	A	57.2	Low	56.7	Low	63 Å²	63	64.6 Å²	64.6	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-36.5	175.5	0	0	0	0	0	112.2	Q1057 L1058	Q1057-A1060 PolarHBondContact O-N 3.4Å; L1058-A1060 VanDerWaalsContact C-N 3.34Å; L1058-A1060 PolarHBondContact O-N 2.85Å
1061	L	56.7	Low	54	Low	99 Å²	99	68 Å²	68	52%	0.518	42%	0.419	S	S	.	.	H	α-helix	trans	-76.9	-23.7	179.8	-61.2	175.5	0	0	0	114	L1058 G1059 L1078	L1058-L1061 HydrophobicContact CD1-CB 4.47Å; L1058-L1061 HydrophobicContact CD1-CD1 4.37Å; L1058-L1061 PolarHBondContact O-N 3.44Å; G1059-L1061 VanDerWaalsContact C-N 3.28Å; G1059-L1061 PolarHBondContact O-N 3.24Å; L1061-L1078 HydrophobicContact CB-CD1 4.26Å
1062	L	59.9	Low	51.2	Low	52 Å²	52	69.4 Å²	69.4	27%	0.272	44%	0.436	S	S	.	.	H	α-helix	trans	-104.2	-27.8	-175.7	-71.2	-179.9	0	0	0	114.6	F993 L1002 L1058 G1059 L1078	F993-L1062 HydrophobicContact CD1-CD1 4.23Å; F993-L1062 HydrophobicContact CE1-CD1 3.56Å; F993-L1062 HydrophobicContact CZ-CB 4.09Å; F993-L1062 HydrophobicContact CZ-CD1 3.77Å; L1002-L1062 HydrophobicContact CD2-CD1 3.7Å; L1058-L1062 HydrophobicContact CD1-CD1 4.13Å; L1058-L1062 HydrophobicContact CD1-CG 4.15Å; L1058-L1062 HydrophobicContact CD2-CD1 3.94Å; L1058-L1062 HydrophobicContact CG-CD1 3.71Å; L1058-L1062 HydrophobicContact CG-CG 4.12Å; L1058-L1062 PolarHBondContact O-N 2.55Å; G1059-L1062 PolarHBondContact O-N 2.79Å; L1062-L1078 HydrophobicContact CD2-CD1 3.89Å
1063	I	49.1	Very low	48.5	Very low	33 Å²	33	71.5 Å²	71.5	17%	0.169	46%	0.457	C	S	.	.	H	α-helix	trans	-84.8	-50.4	-178.5	-63.7	171.3	0	0	0	110.2	I992 G1059 G1065	I992-I1063 HydrophobicContact CD1-CD1 4.23Å; G1059-I1063 WeakPolarHBondContact O-CB 3.42Å; G1059-I1063 WeakPolarHBondContact O-CG1 3.24Å; G1059-I1063 PolarHBondContact O-N 2.67Å; I1063-G1065 PolarHBondContact O-N 3.3Å
1064	H	37.8	Very low	45.8	Very low	125 Å²	125	74.7 Å²	74.7	58%	0.579	48%	0.481	S	S	*	.	S	Bend	trans	-84.1	112.2	175.1	-61.4	-53.5	0	0	0	110.1	L1066	H1064-L1066 PolarHBondContact O-N 3.37Å
1065	G	30.9	Very low	43.3	Very low	71 Å²	71	78.8 Å²	78.8	73%	0.732	51%	0.509	S	S	*	.			trans	-58.6	135.4	168.2	0	0	0	0	0	110.2	I1063	I1063-G1065 PolarHBondContact O-N 3.3Å
1066	L	26.3	Very low	40.8	Very low	115 Å²	115	83.7 Å²	83.7	60%	0.602	54%	0.535	S	S	*	.			trans	-37.9	131.7	-174.6	-79.3	158.7	0	0	0	113.2	H1064	H1064-L1066 PolarHBondContact O-N 3.37Å
1067	P	23.4	Very low	38.3	Very low	105 Å²	105	88.6 Å²	88.6	68%	0.682	56%	0.564	S	S	*	*			trans	-59.9	154.2	170.9	27.7	-34.3	0	0	0	110.4
1068	S	25.2	Very low	36.3	Very low	84 Å²	84	86.5 Å²	86.5	59%	0.587	56%	0.555	S	S	*	*			trans	-56.1	144.4	-177.2	51.7	0	0	0	0	112.4	S1070	S1068-S1070 VanDerWaalsContact C-N 3.31Å; S1068-S1070 PolarHBondContact O-N 3.43Å; S1068-S1070 PolarHBondContact O-OG 2.89Å
1069	P	26.3	Very low	34.2	Very low	142 Å²	142	90.9 Å²	90.9	92%	0.922	58%	0.583	S	S	*	*	S	Bend	trans	-71.9	81.9	-176	30.2	-36.3	0	0	0	111.9
1070	S	27.9	Very low	32.6	Very low	104 Å²	104	98.2 Å²	98.2	73%	0.727	61%	0.614	S	S	*	*			trans	-144.5	1.2	177.4	58.6	0	0	0	0	114.6	S1068	S1068-S1070 VanDerWaalsContact C-N 3.31Å; S1068-S1070 PolarHBondContact O-N 3.43Å; S1068-S1070 PolarHBondContact O-OG 2.89Å
1071	S	27	Very low	31.4	Very low	93 Å²	93	100 Å²	100	65%	0.65	62%	0.619	S	S	*	*	S	Bend	trans	-118.7	113	175.1	56	0	0	0	0	110.5	S1073	S1071-S1073 PolarHBondContact O-N 3.17Å; S1071-S1073 VanDerWaalsContact O-N 3.12Å
1072	S	24.3	Very low	30.1	Very low	121 Å²	121	100 Å²	100	85%	0.846	62%	0.624	S	S	*	*			trans	-79.2	90.8	-174.7	52.6	0	0	0	0	112.8
1073	S	25.5	Very low	28.4	Very low	102 Å²	102	102.7 Å²	102.7	71%	0.713	64%	0.644	S	S	*	*	S	Bend	trans	-162	149	152.1	-84.4	0	0	0	0	111.3	S1071 S1075	S1071-S1073 PolarHBondContact O-N 3.17Å; S1071-S1073 VanDerWaalsContact O-N 3.12Å; S1073-S1075 PolarHBondContact O-N 2.92Å
1074	S	25.3	Very low	27.2	Very low	130 Å²	130	106.8 Å²	106.8	91%	0.909	67%	0.672	S	S	*	*			trans	-28.6	109.1	176.6	48.8	0	0	0	0	115.8
1075	S	26.8	Very low	26.5	Very low	91 Å²	91	105.6 Å²	105.6	64%	0.636	68%	0.677	S	S	*	*			trans	-127	141.1	166.7	50.1	0	0	0	0	110.9	S1073 V1077	S1073-S1075 PolarHBondContact O-N 2.92Å; S1075-V1077 PolarHBondContact O-N 2.94Å
1076	L	27.6	Very low	26.2	Very low	112 Å²	112	107.9 Å²	107.9	59%	0.586	67%	0.674	S	S	*	*			trans	-76.3	122.6	-174.2	-79	155.9	0	0	0	111	A961 L1078	A961-L1076 HydrophobicContact CB-CD1 4.41Å; L1076-L1078 PolarHBondContact O-N 3.14Å
1077	V	25	Very low	26.2	Very low	113 Å²	113	107.4 Å²	107.4	69%	0.685	68%	0.679	S	S	*	*			trans	-74.5	93.2	170.3	-178.1	0	0	0	0	108.9	S1075 T1079	S1075-V1077 PolarHBondContact O-N 2.94Å; V1077-T1079 VanDerWaalsContact C-N 3.35Å; V1077-T1079 HydrophobicContact CG1-CG2 4.31Å; V1077-T1079 PolarHBondContact O-N 3.31Å
1078	L	28.7	Very low	26.4	Very low	54 Å²	54	107.6 Å²	107.6	28%	0.283	68%	0.679	S	S	.	*			trans	-66.3	96.7	159.7	-91	158	0	0	0	108.1	C958 L1061 L1062 L1076	C958-L1078 HydrophobicContact CB-CD2 4.21Å; L1061-L1078 HydrophobicContact CB-CD1 4.26Å; L1062-L1078 HydrophobicContact CD2-CD1 3.89Å; L1076-L1078 PolarHBondContact O-N 3.14Å
1079	T	26.1	Very low	26.5	Very low	98 Å²	98	109.6 Å²	109.6	60%	0.601	69%	0.686	S	S	*	*			trans	-57.8	143.1	172.4	44.6	0	0	0	0	110.3	V1077	V1077-T1079 VanDerWaalsContact C-N 3.35Å; V1077-T1079 HydrophobicContact CG1-CG2 4.31Å; V1077-T1079 PolarHBondContact O-N 3.31Å
1080	K	28	Very low	26.6	Very low	155 Å²	155	106.6 Å²	106.6	67%	0.674	67%	0.665	S	S	*	*			trans	-143.1	0	-168	-157.8	170.1	-162.1	154.2	0	111.4	V798 C800	V798-K1080 WeakPolarHBondContact CG1-OXT 3.39Å; C800-K1080 PolarHBondContact SG-O 3.37Å

Retrieved 1,080 of 1,080 residues in 937.4 ms (Link to these results)

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