A0A5K4F1G8_SCHMA Loading...

DNA topoisomerase

Introduces a single-strand break via transesterification at a target site in duplex DNA. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand.

AlphaFold DB , UniProt , Accession A0A5K4F1G8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 852 aa.

						>A0A5K4F1G8_SCHMA|A0A5K4F1G8
MQTVFMVAEKPSLAESIAKSLSNKRNSSRRGFNGACSIHEWTGQFMSEQVRFKMTSVCGHVMNVDFLSRYNSWDKVDPAELFVAPIEKKEANPKLKMVDFLRHEAKNAGILILWLDCDKEGENICFEVINCVHSVMIHPKRILRAHFSAVTDQELHGAMKNLREPNKHEALSVDARQELDLRIGCAFTRFQTKFFQGKYGDLNSNLVSFGPCQTPTLGFCVKRHDQIQSFKPETFWRIKVSGVDDTGGVLEMSWNRDRIFDKEAASVFLNRVKSSKTAEVVQVSVKQKIKPRPQGLNTVEMLRVASAGLGIGPHSAMAIAERLYTSGYINYPRTETTAYPNTFDLRGLLQQQVNNPLWGDLAREILHSGLTPPRAGHDAGDHPPIAPMRFASSQELGHEAYRLYEYITQHFIATIMPDCCYEQTQVIVSVGDGELFTISGLKIVEPGFTRILTWQAVEDKSLPKSLLNQGYQFNLLEEPSLIEGQTGPPDYLTESELITAMERHGIGTDASIPTHIENIVQRGYVQLLSGRKLQPTPLGIVLVHGYQTIDAELVLPHMRRAVEEQLNHIARGHAKYDLVLQFVLAIFAAKYRYFVEHINGMDQLFEVSFTTLASSGKPLSRCGKCHRYLKFIDSRPQRLHCSICNETYTLPQNGTIRPYKTEKCPLDKFELLCYTQGGKGRNMVFCPYCFSHPPFESMPKLSGCNRCPHPTCPQSMESLGVDACPDCPYGILVLDDSNAPKYRLNCNRCPTFLSISDSVKSMSVKNVSCSVCTAMHLNLRFDPGKVPNSSENNSEKINTTFSGCAFCTESLCSLFTIVRKKETPNNPTVNLRGSRHHSGTRQRGGRRGRSFR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	85.1	Confident	95.9	Very high	143 Å²	143	32.4 Å²	32.4	70%	0.704	17%	0.165	S	C	*	.				0	122.1	0	-173.9	159.6	79	0	0	108.5	T42 Q49 R51	M1-T42 HydrophobicContact CE-CG2 4.29Å; M1-T42 HydrophobicContact SD-CG2 3.92Å; M1-Q49 WeakPolarHBondContact CG-O 3.45Å; M1-Q49 HydrophobicContact SD-CG 4.4Å; M1-R51 HydrophobicContact CE-CB 3.65Å; M1-R51 HydrophobicContact CE-CG 4.34Å
2	Q	92.2	Very high	95.8	Very high	68 Å²	68	34.2 Å²	34.2	32%	0.318	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.4	178.9	-166.9	-179.7	42	0	0	110.2	V50 R51	Q2-V50 HydrophobicContact CB-CG1 4.34Å; Q2-V50 WeakPolarHBondContact O-CA 3.48Å; Q2-R51 PolarHBondContact O-N 3.39Å
3	T	96	Very high	95.8	Very high	33 Å²	33	31.5 Å²	31.5	20%	0.202	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.8	173.8	-59.9	0	0	0	0	110.1	R51 K53 A108 G109 I110	T3-R51 CarbonylContact C-O 3.33Å; T3-R51 WeakPolarHBondContact CA-O 3.44Å; T3-K53 HydrophobicContact CG2-CB 4.13Å; T3-K53 HydrophobicContact CG2-CD 4.45Å; T3-A108 HydrophobicContact CG2-CB 4.41Å; T3-G109 PolarHBondContact O-N 2.82Å; T3-G109 VanDerWaalsContact O-N 3.08Å; T3-I110 PolarHBondContact O-N 3.27Å
4	V	97.6	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.9	171	-177.9	0	0	0	0	107.9	M6 F45 V50 R51 F52 K53 I110 I112	V4-M6 HydrophobicContact CG1-CG 3.99Å; V4-M6 HydrophobicContact CG1-SD 4.35Å; V4-F45 HydrophobicContact CG2-CD1 4.33Å; V4-V50 HydrophobicContact CG2-CB 3.92Å; V4-V50 HydrophobicContact CG2-CG1 4.19Å; V4-V50 HydrophobicContact CG2-CG2 3.81Å; V4-R51 PolarHBondContact N-O 3.42Å; V4-F52 HydrophobicContact CB-CD1 3.74Å; V4-F52 HydrophobicContact CB-CE1 3.95Å; V4-F52 HydrophobicContact CG1-CD1 3.87Å; V4-F52 HydrophobicContact CG1-CE1 3.87Å; V4-F52 HydrophobicContact CG2-CD1 4.36Å; V4-F52 HydrophobicContact CG2-CE1 4.15Å; V4-K53 PolarHBondContact O-N 3.03Å; V4-I110 HydrophobicContact CB-CB 4.49Å; V4-I110 HydrophobicContact CG1-CB 4.27Å; V4-I110 HydrophobicContact CG1-CG2 4.11Å; V4-I110 HydrophobicContact CG2-CB 4.15Å; V4-I110 HydrophobicContact CG2-CD1 4.24Å; V4-I112 HydrophobicContact CG1-CD1 3.51Å; V4-I112 HydrophobicContact CG1-CG1 3.77Å
5	F	98.2	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.4	176.7	-171.8	-123.7	0	0	0	109.7	V7 K53 T55 L101 E104 A105 A108 I110 L111 I112 V132	F5-V7 HydrophobicContact CD1-CG2 3.84Å; F5-V7 HydrophobicContact CE1-CG2 3.32Å; F5-V7 HydrophobicContact CZ-CG2 3.79Å; F5-K53 WeakPolarHBondContact CA-O 3.43Å; F5-K53 HydrophobicContact CD2-CB 4.33Å; F5-K53 HydrophobicContact CD2-CD 4.23Å; F5-K53 HydrophobicContact CD2-CG 4.19Å; F5-K53 WeakPolarHBondContact CD2-O 3.45Å; F5-T55 HydrophobicContact CE2-CG2 3.58Å; F5-T55 HydrophobicContact CZ-CG2 3.47Å; F5-T55 VanDerWaalsContact CZ-CG2 3.47Å; F5-L101 HydrophobicContact CE1-CD2 4.45Å; F5-L101 HydrophobicContact CZ-CD2 4.36Å; F5-E104 HydrophobicContact CE2-CB 3.72Å; F5-E104 HydrophobicContact CZ-CB 3.95Å; F5-A105 HydrophobicContact CD1-CB 3.51Å; F5-A105 HydrophobicContact CE1-CB 3.57Å; F5-A105 HydrophobicContact CG-CB 4.12Å; F5-A105 HydrophobicContact CZ-CB 4.18Å; F5-A108 HydrophobicContact CB-CB 3.69Å; F5-I110 PolarHBondContact N-O 2.68Å; F5-L111 HydrophobicContact CD1-CD1 3.84Å; F5-L111 CarbonylContact O-C 3.47Å; F5-L111 VanDerWaalsContact O-CA 3.29Å; F5-L111 WeakPolarHBondContact O-CA 3.48Å; F5-I112 PolarHBondContact O-N 3.42Å; F5-V132 HydrophobicContact CE1-CG1 4.19Å
6	M	98.7	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.9	-175.2	-55.1	-172.4	-69.4	0	0	110	V4 W41 F52 K53 M54 T55 I112	V4-M6 HydrophobicContact CG1-CG 3.99Å; V4-M6 HydrophobicContact CG1-SD 4.35Å; M6-W41 HydrophobicContact CE-CH2 3.13Å; M6-W41 HydrophobicContact CE-CZ2 3.6Å; M6-W41 HydrophobicContact CE-CZ3 3.86Å; M6-F52 HydrophobicContact CE-CB 3.71Å; M6-F52 HydrophobicContact CE-CD1 3.51Å; M6-F52 HydrophobicContact CE-CE1 4.47Å; M6-F52 HydrophobicContact CE-CG 3.95Å; M6-F52 HydrophobicContact SD-CD1 3.68Å; M6-F52 HydrophobicContact SD-CE1 4.16Å; M6-K53 PolarHBondContact N-O 3.5Å; M6-M54 HydrophobicContact CB-CB 4.3Å; M6-M54 HydrophobicContact CB-CE 3.93Å; M6-M54 HydrophobicContact CB-SD 3.59Å; M6-M54 VanDerWaalsContact CB-SD 3.59Å; M6-M54 HydrophobicContact CE-CB 3.96Å; M6-M54 HydrophobicContact CE-CE 4.13Å; M6-M54 CarbonylContact O-C 3.58Å; M6-M54 WeakPolarHBondContact O-CA 3.38Å; M6-M54 HydrophobicContact SD-CE 4.38Å; M6-T55 PolarHBondContact O-N 3.28Å; M6-I112 VanDerWaalsContact CA-O 3.26Å; M6-I112 WeakPolarHBondContact CA-O 3.33Å; M6-I112 HydrophobicContact CG-CB 4.03Å; M6-I112 HydrophobicContact CG-CG1 4.48Å; M6-I112 HydrophobicContact SD-CD1 4.3Å
7	V	98.8	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.4	-173.9	-174.4	0	0	0	0	110.2	F5 T55 V57 L101 L111 I112 W114 L115 V128	F5-V7 HydrophobicContact CD1-CG2 3.84Å; F5-V7 HydrophobicContact CE1-CG2 3.32Å; F5-V7 HydrophobicContact CZ-CG2 3.79Å; V7-T55 WeakPolarHBondContact CA-O 3.45Å; V7-T55 HydrophobicContact CG2-CG2 4.34Å; V7-V57 HydrophobicContact CG1-CG1 3.98Å; V7-L101 HydrophobicContact CG1-CD2 4.21Å; V7-L101 HydrophobicContact CG2-CD2 4.31Å; V7-L111 HydrophobicContact CG2-CD1 4.09Å; V7-I112 PolarHBondContact N-O 2.76Å; V7-I112 VanDerWaalsContact N-O 3.14Å; V7-W114 CarbonylContact O-C 3.56Å; V7-W114 WeakPolarHBondContact O-CA 2.87Å; V7-W114 PolarHBondContact O-N 2.75Å; V7-L115 WeakPolarHBondContact O-CD1 3.34Å; V7-V128 HydrophobicContact CB-CG1 4.08Å; V7-V128 HydrophobicContact CG1-CG1 4.09Å; V7-V128 HydrophobicContact CG1-CG2 3.97Å; V7-V128 HydrophobicContact CG2-CG1 3.91Å
8	A	98.6	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	169.7	170.4	0	0	0	0	0	112.1	L13 A14 I17 T55 S56 V57 W114	A8-L13 HydrophobicContact CB-CB 4.32Å; A8-L13 HydrophobicContact CB-CD2 4.17Å; A8-L13 HydrophobicContact CB-CG 4.11Å; A8-A14 HydrophobicContact CB-CB 3.91Å; A8-I17 HydrophobicContact CB-CD1 4.28Å; A8-T55 PolarHBondContact N-O 2.92Å; A8-S56 CarbonylContact O-C 3.56Å; A8-S56 WeakPolarHBondContact O-CA 3.35Å; A8-S56 WeakPolarHBondContact O-CB 3.14Å; A8-V57 PolarHBondContact O-N 2.98Å; A8-W114 WeakPolarHBondContact CA-O 3.33Å; A8-W114 HydrophobicContact CB-CB 4.12Å
9	E	97.7	Very high	96.1	Very high	19 Å²	19	32.6 Å²	32.6	9%	0.089	17%	0.17	C	C	.	.	S	Bend	trans	-75.5	-33.5	-175.8	-168.8	178.2	123.2	0	0	114.1	V57 C58 G59 L115 D116 I124	E9-V57 CarbonylContact O-C 3.54Å; E9-V57 WeakPolarHBondContact O-CG2 3.22Å; E9-C58 PolarHBondContact O-N 2.94Å; E9-G59 PolarHBondContact O-N 3.04Å; E9-L115 HydrophobicContact CB-CB 4.37Å; E9-L115 HydrophobicContact CB-CD2 4.5Å; E9-L115 HydrophobicContact CB-CG 4.45Å; E9-D116 WeakPolarHBondContact OE2-CB 3.36Å; E9-D116 PolarHBondContact OE2-N 3Å; E9-I124 HydrophobicContact CG-CD1 4.11Å
10	K	95.8	Very high	96.1	Very high	48 Å²	48	31.4 Å²	31.4	21%	0.209	17%	0.165	C	C	.	.	S	Bend	trans	-134.6	151.4	-174.2	-64.9	170.2	-172.6	158.3	0	110.8	S12 L13 A14 S56 E321	K10-S12 PolarHBondContact O-N 3.14Å; K10-L13 HydrophobicContact CB-CB 4.47Å; K10-L13 WeakPolarHBondContact O-CB 3.44Å; K10-L13 PolarHBondContact O-N 3.44Å; K10-L13 VanDerWaalsContact O-N 3.15Å; K10-A14 PolarHBondContact O-N 3.23Å; K10-A14 VanDerWaalsContact O-N 3.08Å; K10-S56 VanDerWaalsContact C-CB 3.42Å; K10-S56 WeakPolarHBondContact O-CB 3.43Å; K10-E321 IonicContact NZ-OE2 3.33Å; K10-E321 PolarHBondContact NZ-OE2 3.16Å
11	P	96.4	Very high	96.1	Very high	45 Å²	45	30.9 Å²	30.9	29%	0.292	16%	0.162	S	C	.	.	H	α-helix	trans	-57.2	-41.5	-180	-28.3	36.3	0	0	0	114.8	L13 A14 E15 S56	P11-L13 VanDerWaalsContact C-N 3.33Å; P11-L13 PolarHBondContact O-N 3.34Å; P11-A14 PolarHBondContact O-N 3.47Å; P11-E15 PolarHBondContact O-N 3Å; P11-E15 VanDerWaalsContact O-N 3.09Å; P11-S56 WeakPolarHBondContact CA-OG 3.24Å
12	S	94.1	Very high	96.7	Very high	54 Å²	54	24.4 Å²	24.4	38%	0.378	13%	0.131	S	C	.	.	H	α-helix	trans	-62.4	-40.4	177.1	49.8	0	0	0	0	112.2	K10 E15 S16	K10-S12 PolarHBondContact O-N 3.14Å; S12-E15 PolarHBondContact O-N 3.4Å; S12-S16 PolarHBondContact O-N 2.9Å; S12-S16 PolarHBondContact O-OG 3.49Å
13	L	95.7	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66	-45.7	178.6	-174.5	62.8	0	0	0	111.2	A8 K10 P11 E15 S16 I17 D116 F147 V150	A8-L13 HydrophobicContact CB-CB 4.32Å; A8-L13 HydrophobicContact CB-CD2 4.17Å; A8-L13 HydrophobicContact CB-CG 4.11Å; K10-L13 HydrophobicContact CB-CB 4.47Å; K10-L13 WeakPolarHBondContact O-CB 3.44Å; K10-L13 PolarHBondContact O-N 3.44Å; K10-L13 VanDerWaalsContact O-N 3.15Å; P11-L13 VanDerWaalsContact C-N 3.33Å; P11-L13 PolarHBondContact O-N 3.34Å; L13-E15 VanDerWaalsContact C-N 3.29Å; L13-E15 PolarHBondContact O-N 2.96Å; L13-S16 PolarHBondContact O-N 3.28Å; L13-I17 HydrophobicContact CD1-CD1 3.91Å; L13-I17 HydrophobicContact CD1-CG1 4.21Å; L13-I17 HydrophobicContact CD2-CD1 4.44Å; L13-I17 HydrophobicContact CG-CD1 3.72Å; L13-I17 HydrophobicContact CG-CG1 4.4Å; L13-I17 VanDerWaalsContact O-CG1 3.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.37Å; L13-I17 PolarHBondContact O-N 3.25Å; L13-D116 VanDerWaalsContact CD2-OD1 3.25Å; L13-D116 WeakPolarHBondContact CD2-OD1 3.17Å; L13-F147 HydrophobicContact CD1-CE2 4.43Å; L13-F147 HydrophobicContact CD2-CZ 4.39Å; L13-V150 HydrophobicContact CD1-CG1 4.16Å; L13-V150 HydrophobicContact CD1-CG2 3.48Å; L13-V150 VanDerWaalsContact CD1-CG2 3.48Å
14	A	97.7	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-41.3	175.4	0	0	0	0	0	112.6	A8 K10 P11 A18 M54 T55	A8-A14 HydrophobicContact CB-CB 3.91Å; K10-A14 PolarHBondContact O-N 3.23Å; K10-A14 VanDerWaalsContact O-N 3.08Å; P11-A14 PolarHBondContact O-N 3.47Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.09Å; A14-M54 HydrophobicContact CB-CG 4Å; A14-M54 HydrophobicContact CB-SD 4.39Å; A14-T55 WeakPolarHBondContact CB-O 3.32Å
15	E	96.4	Very high	96.6	Very high	79 Å²	79	42.3 Å²	42.3	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-48.4	177.7	-174.6	-178.5	175	0	0	111.6	P11 S12 L13 A18 K19	P11-E15 PolarHBondContact O-N 3Å; P11-E15 VanDerWaalsContact O-N 3.09Å; S12-E15 PolarHBondContact O-N 3.4Å; L13-E15 VanDerWaalsContact C-N 3.29Å; L13-E15 PolarHBondContact O-N 2.96Å; E15-A18 PolarHBondContact O-N 3.47Å; E15-K19 HydrophobicContact CG-CD 4.13Å; E15-K19 WeakPolarHBondContact O-CB 3.45Å; E15-K19 WeakPolarHBondContact O-CG 2.94Å; E15-K19 PolarHBondContact O-N 3.13Å; E15-K19 WeakPolarHBondContact OE1-CE 3.48Å; E15-K19 IonicContact OE1-NZ 2.73Å; E15-K19 PolarHBondContact OE1-NZ 3.29Å
16	S	95.1	Very high	96.5	Very high	42 Å²	42	43.6 Å²	43.6	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-46.5	178.6	-67.5	0	0	0	0	111.7	S12 L13 K19 S20	S12-S16 PolarHBondContact O-N 2.9Å; S12-S16 PolarHBondContact O-OG 3.49Å; L13-S16 PolarHBondContact O-N 3.28Å; S16-K19 PolarHBondContact O-N 2.94Å; S16-S20 PolarHBondContact O-N 3.33Å
17	I	97.3	Very high	96.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-43.8	179.2	-60.5	168.3	0	0	0	110.9	A8 L13 K19 S20 L21 M54 W114 F147 L155	A8-I17 HydrophobicContact CB-CD1 4.28Å; L13-I17 HydrophobicContact CD1-CD1 3.91Å; L13-I17 HydrophobicContact CD1-CG1 4.21Å; L13-I17 HydrophobicContact CD2-CD1 4.44Å; L13-I17 HydrophobicContact CG-CD1 3.72Å; L13-I17 HydrophobicContact CG-CG1 4.4Å; L13-I17 VanDerWaalsContact O-CG1 3.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.37Å; L13-I17 PolarHBondContact O-N 3.25Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 2.72Å; I17-S20 PolarHBondContact O-N 3.38Å; I17-L21 HydrophobicContact CG2-CD1 3.66Å; I17-L21 HydrophobicContact CG2-CG 4.12Å; I17-L21 WeakPolarHBondContact O-CG 3.44Å; I17-L21 PolarHBondContact O-N 2.83Å; I17-M54 HydrophobicContact CB-CE 3.75Å; I17-M54 HydrophobicContact CG2-CE 3.29Å; I17-W114 HydrophobicContact CD1-CB 3.95Å; I17-W114 HydrophobicContact CD1-CD2 4.18Å; I17-W114 HydrophobicContact CD1-CE3 3.78Å; I17-W114 HydrophobicContact CD1-CG 4.31Å; I17-W114 HydrophobicContact CG1-CE3 4.44Å; I17-W114 HydrophobicContact CG2-CD2 3.94Å; I17-W114 HydrophobicContact CG2-CE3 3.89Å; I17-W114 HydrophobicContact CG2-CH2 4.33Å; I17-W114 HydrophobicContact CG2-CZ2 4.39Å; I17-W114 HydrophobicContact CG2-CZ3 4.09Å; I17-F147 HydrophobicContact CD1-CZ 4.34Å; I17-L155 HydrophobicContact CB-CD1 4.41Å; I17-L155 HydrophobicContact CD1-CD2 4.42Å; I17-L155 HydrophobicContact CG1-CD1 4.07Å; I17-L155 HydrophobicContact CG1-CD2 3.87Å; I17-L155 HydrophobicContact CG2-CD2 4.45Å
18	A	97.8	Very high	96.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-41.7	177.2	0	0	0	0	0	112.2	A14 E15 S20 S22 H39 W41 M54	A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.09Å; E15-A18 PolarHBondContact O-N 3.47Å; A18-S20 VanDerWaalsContact C-N 3.35Å; A18-S22 WeakPolarHBondContact O-CB 3.44Å; A18-S22 PolarHBondContact O-N 3.15Å; A18-S22 PolarHBondContact O-OG 2.99Å; A18-H39 HydrophobicContact CB-CB 3.44Å; A18-H39 VanDerWaalsContact CB-CB 3.44Å; A18-W41 HydrophobicContact CB-CH2 4.26Å; A18-W41 HydrophobicContact CB-CZ3 3.82Å; A18-M54 HydrophobicContact CB-CB 4.17Å; A18-M54 HydrophobicContact CB-CG 4.1Å
19	K	96.5	Very high	96.4	Very high	88 Å²	88	55 Å²	55	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176.5	-80.9	173.2	170.7	170.1	0	111.8	E15 S16 I17 N23 K24	E15-K19 HydrophobicContact CG-CD 4.13Å; E15-K19 WeakPolarHBondContact O-CB 3.45Å; E15-K19 WeakPolarHBondContact O-CG 2.94Å; E15-K19 PolarHBondContact O-N 3.13Å; E15-K19 WeakPolarHBondContact OE1-CE 3.48Å; E15-K19 IonicContact OE1-NZ 2.73Å; E15-K19 PolarHBondContact OE1-NZ 3.29Å; S16-K19 PolarHBondContact O-N 2.94Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 2.72Å; K19-N23 PolarHBondContact O-N 3.19Å; K19-K24 HydrophobicContact CB-CG 4.46Å; K19-K24 PolarHBondContact O-N 3.13Å
20	S	95.4	Very high	96.4	Very high	8 Å²	8	63.1 Å²	63.1	6%	0.056	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-60.4	176.9	-177.3	0	0	0	0	111.4	S16 I17 A18 S22 N23 D152 H156	S16-S20 PolarHBondContact O-N 3.33Å; I17-S20 PolarHBondContact O-N 3.38Å; A18-S20 VanDerWaalsContact C-N 3.35Å; S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.18Å; S20-N23 PolarHBondContact O-N 3.48Å; S20-D152 WeakPolarHBondContact CB-OD1 3.48Å; S20-D152 WeakPolarHBondContact OG-CA 3.22Å; S20-D152 PolarHBondContact OG-OD1 3.16Å; S20-H156 PolarHBondContact O-CE1 2.82Å
21	L	97	Very high	96.4	Very high	22 Å²	22	61.1 Å²	61.1	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-23.3	-173.3	-62.5	178.9	0	0	0	114	I17 W41 W114 L155 M159	I17-L21 HydrophobicContact CG2-CD1 3.66Å; I17-L21 HydrophobicContact CG2-CG 4.12Å; I17-L21 WeakPolarHBondContact O-CG 3.44Å; I17-L21 PolarHBondContact O-N 2.83Å; L21-W41 HydrophobicContact CB-CH2 4.27Å; L21-W41 HydrophobicContact CB-CZ2 3.72Å; L21-W41 HydrophobicContact CD1-CZ2 4.49Å; L21-W114 HydrophobicContact CD1-CH2 4.02Å; L21-W114 HydrophobicContact CD1-CZ2 3.6Å; L21-L155 HydrophobicContact CD2-CB 4.38Å; L21-M159 HydrophobicContact CD2-CB 4.17Å; L21-M159 HydrophobicContact CD2-CG 4.45Å
22	S	96.8	Very high	96.4	Very high	7 Å²	7	64.2 Å²	64.2	5%	0.049	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.6	175.8	72	0	0	0	0	113.8	A18 S20 K24 R25 N26	A18-S22 WeakPolarHBondContact O-CB 3.44Å; A18-S22 PolarHBondContact O-N 3.15Å; A18-S22 PolarHBondContact O-OG 2.99Å; S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.18Å; S22-K24 PolarHBondContact O-N 2.96Å; S22-K24 PolarHBondContact OG-N 3.06Å; S22-R25 VanDerWaalsContact O-CB 3.31Å; S22-R25 WeakPolarHBondContact O-CB 3.33Å; S22-R25 WeakPolarHBondContact O-CG 3.32Å; S22-R25 PolarHBondContact O-N 2.93Å; S22-R25 VanDerWaalsContact O-N 3.07Å; S22-R25 PolarHBondContact OG-N 2.8Å; S22-N26 WeakPolarHBondContact OG-CB 3.48Å; S22-N26 PolarHBondContact OG-N 3.4Å; S22-N26 VanDerWaalsContact OG-N 3.14Å; S22-N26 PolarHBondContact OG-OD1 2.88Å
23	N	94.8	Very high	96.4	Very high	103 Å²	103	62.9 Å²	62.9	55%	0.551	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	43.4	-167.6	-64.6	-69.7	0	0	0	112	K19 S20 R25	K19-N23 PolarHBondContact O-N 3.19Å; S20-N23 PolarHBondContact O-N 3.48Å; N23-R25 PolarHBondContact O-N 3.24Å
24	K	94.4	Very high	96.2	Very high	174 Å²	174	64.2 Å²	64.2	76%	0.757	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	21.4	-177.7	-52.1	174.9	-175.8	174.5	0	114.6	K19 S22	K19-K24 HydrophobicContact CB-CG 4.46Å; K19-K24 PolarHBondContact O-N 3.13Å; S22-K24 PolarHBondContact O-N 2.96Å; S22-K24 PolarHBondContact OG-N 3.06Å
25	R	95.7	Very high	96.1	Very high	200 Å²	200	66.2 Å²	66.2	76%	0.755	33%	0.328	S	S	*	.			trans	-99.9	11.4	178.3	-51.9	-179.1	-151.2	165.3	6.2	113.2	S22 N23	S22-R25 VanDerWaalsContact O-CB 3.31Å; S22-R25 WeakPolarHBondContact O-CB 3.33Å; S22-R25 WeakPolarHBondContact O-CG 3.32Å; S22-R25 PolarHBondContact O-N 2.93Å; S22-R25 VanDerWaalsContact O-N 3.07Å; S22-R25 PolarHBondContact OG-N 2.8Å; N23-R25 PolarHBondContact O-N 3.24Å
26	N	96.9	Very high	96.2	Very high	26 Å²	26	62.5 Å²	62.5	14%	0.139	31%	0.31	C	S	.	.			trans	-72.1	139.5	175.2	61.8	-52.6	0	0	0	111.7	S22 S28 H39 E40 W41	S22-N26 WeakPolarHBondContact OG-CB 3.48Å; S22-N26 PolarHBondContact OG-N 3.4Å; S22-N26 VanDerWaalsContact OG-N 3.14Å; S22-N26 PolarHBondContact OG-OD1 2.88Å; N26-S28 PolarHBondContact ND2-OG 2.89Å; N26-H39 HydrophobicContact CB-CB 4.47Å; N26-E40 WeakPolarHBondContact CA-O 3.39Å; N26-W41 HydrophobicContact CB-CE3 4.03Å
27	S	97.7	Very high	96.3	Very high	74 Å²	74	62.5 Å²	62.5	52%	0.517	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.9	163.7	65.3	0	0	0	0	109.3	H39 E40	S27-H39 CarbonylContact O-C 3.56Å; S27-H39 VanDerWaalsContact O-CA 3.31Å; S27-H39 WeakPolarHBondContact O-CA 3.36Å; S27-E40 PolarHBondContact N-O 2.78Å; S27-E40 PolarHBondContact O-N 2.89Å; S27-E40 PolarHBondContact OG-O 3.13Å; S27-E40 VanDerWaalsContact OG-O 3.1Å
28	S	97.9	Very high	96.4	Very high	74 Å²	74	62.5 Å²	62.5	52%	0.517	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	-178.3	-57.1	0	0	0	0	110.9	N26 I38 H39	N26-S28 PolarHBondContact ND2-OG 2.89Å; S28-I38 CarbonylContact C-O 3.31Å; S28-I38 VanDerWaalsContact CA-O 3.3Å; S28-I38 WeakPolarHBondContact CA-O 3.37Å; S28-H39 PolarHBondContact OG-ND1 3.36Å
29	R	97.6	Very high	96.4	Very high	93 Å²	93	62.8 Å²	62.8	35%	0.351	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.2	171.4	65	172.4	173.5	90.5	0.4	111	S37 I38 E40 E104	R29-S37 CarbonylContact O-C 3.5Å; R29-S37 WeakPolarHBondContact O-CA 3.47Å; R29-I38 HydrophobicContact CG-CB 4.04Å; R29-I38 HydrophobicContact CG-CD1 4.43Å; R29-I38 PolarHBondContact N-O 2.86Å; R29-I38 PolarHBondContact O-N 3.21Å; R29-E40 IonicContact CZ-OE2 2.78Å; R29-E40 IonicContact NE-OE2 3.47Å; R29-E40 PolarHBondContact NE-OE2 2.76Å; R29-E40 VanDerWaalsContact NE-OE2 3.1Å; R29-E40 IonicContact NH2-OE2 2.68Å; R29-E104 IonicContact CZ-OE1 2.64Å; R29-E104 IonicContact CZ-OE2 2.64Å; R29-E104 IonicContact NH1-OE1 3.82Å; R29-E104 PolarHBondContact NH1-OE1 3.44Å; R29-E104 IonicContact NH1-OE2 3.13Å; R29-E104 IonicContact NH2-OE1 2.89Å; R29-E104 PolarHBondContact NH2-OE1 2.83Å; R29-E104 IonicContact NH2-OE2 2.66Å; R29-E104 PolarHBondContact NH2-OE2 3.43Å
30	R	97	Very high	96.5	Very high	189 Å²	189	59.3 Å²	59.3	71%	0.713	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	137.8	176.2	-155.6	167.8	-171.6	167.4	1.2	110.5	G34	R30-G34 VanDerWaalsContact CZ-O 3.26Å; R30-G34 PolarHBondContact NE-O 3Å; R30-G34 PolarHBondContact NH2-O 3.5Å
31	G	96	Very high	96.6	Very high	6 Å²	6	60.1 Å²	60.1	6%	0.062	30%	0.299	C	S	.	.			trans	-72.5	158.9	170.5	0	0	0	0	0	111.8	N33 G34 C36	G31-N33 PolarHBondContact O-N 2.92Å; G31-G34 PolarHBondContact O-N 2.85Å; G31-C36 WeakPolarHBondContact CA-O 3.19Å; G31-C36 PolarHBondContact N-O 2.82Å
32	F	96.3	Very high	96.6	Very high	109 Å²	109	62.8 Å²	62.8	48%	0.478	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.3	-179.7	72.5	-105.3	0	0	0	113.1	G34 K96 D99 F100 H103	F32-G34 PolarHBondContact O-N 2.91Å; F32-K96 HydrophobicContact CE2-CB 4.42Å; F32-D99 HydrophobicContact CZ-CB 4.01Å; F32-F100 HydrophobicContact CD1-CD2 4.13Å; F32-F100 VanDerWaalsContact CE1-CA 3.46Å; F32-F100 HydrophobicContact CE1-CB 4.03Å; F32-F100 AromaticContact CE1-CD2 3.99Å; F32-F100 HydrophobicContact CE1-CD2 3.99Å; F32-F100 HydrophobicContact CE2-CB 4.39Å; F32-F100 HydrophobicContact CZ-CB 3.75Å; F32-F100 HydrophobicContact CZ-CD2 4.44Å; F32-F100 VanDerWaalsContact CZ-N 3.35Å; F32-H103 HydrophobicContact CE1-CB 3.83Å
33	N	93.7	Very high	96.6	Very high	26 Å²	26	63.4 Å²	63.4	14%	0.139	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8	175.2	67.9	1.4	0	0	0	113.2	G31 A35 C36 L95 F100	G31-N33 PolarHBondContact O-N 2.92Å; N33-A35 PolarHBondContact O-N 2.78Å; N33-A35 PolarHBondContact OD1-N 2.93Å; N33-C36 PolarHBondContact OD1-N 2.83Å; N33-L95 WeakPolarHBondContact CB-O 3.21Å; N33-F100 WeakPolarHBondContact ND2-CG 3.46Å
34	G	92.8	Very high	96.5	Very high	28 Å²	28	66.2 Å²	66.2	29%	0.289	33%	0.334	S	S	.	.	S	Bend	trans	72.5	-20.4	178.6	0	0	0	0	0	115.6	R30 G31 F32	R30-G34 VanDerWaalsContact CZ-O 3.26Å; R30-G34 PolarHBondContact NE-O 3Å; R30-G34 PolarHBondContact NH2-O 3.5Å; G31-G34 PolarHBondContact O-N 2.85Å; F32-G34 PolarHBondContact O-N 2.91Å
35	A	95	Very high	96.5	Very high	43 Å²	43	58.7 Å²	58.7	36%	0.355	30%	0.301	S	S	.	.	S	Bend	trans	-90	-39	-179.4	0	0	0	0	0	113	N33 L95	N33-A35 PolarHBondContact O-N 2.78Å; N33-A35 PolarHBondContact OD1-N 2.93Å; A35-L95 HydrophobicContact CB-CD2 3.74Å
36	C	97.6	Very high	96.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.			trans	-98.5	147.3	-177.8	-60.1	0	0	0	0	111	G31 N33 S56 F100	G31-C36 WeakPolarHBondContact CA-O 3.19Å; G31-C36 PolarHBondContact N-O 2.82Å; N33-C36 PolarHBondContact OD1-N 2.83Å; C36-S56 PolarHBondContact SG-O 2.87Å; C36-F100 HydrophobicContact CB-CD1 4.43Å; C36-F100 HydrophobicContact CB-CE1 3.62Å; C36-F100 HydrophobicContact CB-CE2 4.34Å; C36-F100 HydrophobicContact CB-CZ 3.57Å
37	S	98.1	Very high	95.8	Very high	42 Å²	42	58.3 Å²	58.3	29%	0.294	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	158.5	169.8	-67.2	0	0	0	0	110.4	R29 T55	R29-S37 CarbonylContact O-C 3.5Å; R29-S37 WeakPolarHBondContact O-CA 3.47Å; S37-T55 WeakPolarHBondContact O-CB 3.28Å; S37-T55 PolarHBondContact O-OG1 2.75Å
38	I	98.5	Very high	95.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.4	172.6	-56.3	79.2	0	0	0	107.3	S28 R29 E40 K53 M54 F100 E104	S28-I38 CarbonylContact C-O 3.31Å; S28-I38 VanDerWaalsContact CA-O 3.3Å; S28-I38 WeakPolarHBondContact CA-O 3.37Å; R29-I38 HydrophobicContact CG-CB 4.04Å; R29-I38 HydrophobicContact CG-CD1 4.43Å; R29-I38 PolarHBondContact N-O 2.86Å; R29-I38 PolarHBondContact O-N 3.21Å; I38-E40 HydrophobicContact CG2-CG 3.68Å; I38-K53 HydrophobicContact CG2-CD 4.36Å; I38-K53 HydrophobicContact CG2-CG 3.6Å; I38-M54 CarbonylContact C-O 3.51Å; I38-M54 WeakPolarHBondContact CA-O 3.14Å; I38-F100 HydrophobicContact CD1-CE2 3.88Å; I38-F100 HydrophobicContact CD1-CZ 4.05Å; I38-F100 HydrophobicContact CG1-CZ 4.35Å; I38-E104 HydrophobicContact CD1-CG 4.44Å; I38-E104 HydrophobicContact CG1-CG 4.12Å
39	H	98.5	Very high	95.5	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.028	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.6	179.7	-50	-80.5	0	0	0	109.5	A18 N26 S27 S28 M54	A18-H39 HydrophobicContact CB-CB 3.44Å; A18-H39 VanDerWaalsContact CB-CB 3.44Å; N26-H39 HydrophobicContact CB-CB 4.47Å; S27-H39 CarbonylContact O-C 3.56Å; S27-H39 VanDerWaalsContact O-CA 3.31Å; S27-H39 WeakPolarHBondContact O-CA 3.36Å; S28-H39 PolarHBondContact OG-ND1 3.36Å; H39-M54 HydrophobicContact CB-CB 4.21Å; H39-M54 PolarHBondContact N-O 3.4Å; H39-M54 PolarHBondContact O-N 3.04Å
40	E	98.4	Very high	95.4	Very high	16 Å²	16	58.9 Å²	58.9	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.4	-168.5	-49.6	-166.8	63.7	0	0	111.7	N26 S27 R29 I38 R51 F52 K53	N26-E40 WeakPolarHBondContact CA-O 3.39Å; S27-E40 PolarHBondContact N-O 2.78Å; S27-E40 PolarHBondContact O-N 2.89Å; S27-E40 PolarHBondContact OG-O 3.13Å; S27-E40 VanDerWaalsContact OG-O 3.1Å; R29-E40 IonicContact CZ-OE2 2.78Å; R29-E40 IonicContact NE-OE2 3.47Å; R29-E40 PolarHBondContact NE-OE2 2.76Å; R29-E40 VanDerWaalsContact NE-OE2 3.1Å; R29-E40 IonicContact NH2-OE2 2.68Å; I38-E40 HydrophobicContact CG2-CG 3.68Å; E40-R51 IonicContact OE1-CZ 3.56Å; E40-R51 IonicContact OE1-NE 3.64Å; E40-R51 PolarHBondContact OE1-NE 3.02Å; E40-R51 IonicContact OE1-NH2 3.1Å; E40-R51 PolarHBondContact OE1-NH2 3.38Å; E40-R51 IonicContact OE2-NH2 2.68Å; E40-F52 VanDerWaalsContact CA-O 3.3Å; E40-F52 WeakPolarHBondContact CA-O 3.21Å; E40-K53 HydrophobicContact CG-CG 4.22Å
41	W	98	Very high	95.4	Very high	25 Å²	25	55.1 Å²	55.1	10%	0.095	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.8	172.9	68.9	103.8	0	0	0	110.9	M6 A18 L21 N26 F52 M54	M6-W41 HydrophobicContact CE-CH2 3.13Å; M6-W41 HydrophobicContact CE-CZ2 3.6Å; M6-W41 HydrophobicContact CE-CZ3 3.86Å; A18-W41 HydrophobicContact CB-CH2 4.26Å; A18-W41 HydrophobicContact CB-CZ3 3.82Å; L21-W41 HydrophobicContact CB-CH2 4.27Å; L21-W41 HydrophobicContact CB-CZ2 3.72Å; L21-W41 HydrophobicContact CD1-CZ2 4.49Å; N26-W41 HydrophobicContact CB-CE3 4.03Å; W41-F52 AromaticContact CD1-CD2 3.78Å; W41-F52 HydrophobicContact CD2-CB 3.55Å; W41-F52 HydrophobicContact CD2-CD2 4.35Å; W41-F52 HydrophobicContact CD2-CG 4.27Å; W41-F52 AromaticContact CE2-CD2 3.64Å; W41-F52 AromaticContact CE2-CG 3.64Å; W41-F52 HydrophobicContact CE3-CB 3.85Å; W41-F52 HydrophobicContact CG-CB 4.15Å; W41-F52 HydrophobicContact CG-CD2 4.44Å; W41-F52 HydrophobicContact CH2-CB 3.96Å; W41-F52 HydrophobicContact CH2-CG 4.49Å; W41-F52 HydrophobicContact CZ2-CB 3.61Å; W41-F52 HydrophobicContact CZ2-CD1 4.32Å; W41-F52 HydrophobicContact CZ2-CD2 4.11Å; W41-F52 AromaticContact CZ2-CG 3.76Å; W41-F52 HydrophobicContact CZ2-CG 3.76Å; W41-F52 HydrophobicContact CZ3-CB 4.04Å; W41-F52 PolarHBondContact N-O 3.1Å; W41-F52 AromaticContact NE1-CD2 3.23Å; W41-F52 AromaticContact NE1-CE2 3.94Å; W41-F52 AromaticContact NE1-CG 3.76Å; W41-F52 PolarHBondContact O-N 3.13Å; W41-M54 HydrophobicContact CH2-CB 4.25Å; W41-M54 HydrophobicContact CZ3-CB 3.92Å
42	T	97.5	Very high	95.5	Very high	77 Å²	77	55.3 Å²	55.3	47%	0.472	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138	171.1	-56.7	0	0	0	0	109	M1 Q49 V50	M1-T42 HydrophobicContact CE-CG2 4.29Å; M1-T42 HydrophobicContact SD-CG2 3.92Å; T42-Q49 HydrophobicContact CG2-CG 3.76Å; T42-V50 WeakPolarHBondContact CA-O 3.28Å
43	G	95.3	Very high	95.6	Very high	21 Å²	21	51.4 Å²	51.4	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-176.3	177.4	0	0	0	0	0	112.2	Q49 V50	G43-Q49 WeakPolarHBondContact O-CA 3.28Å; G43-V50 PolarHBondContact N-O 2.66Å; G43-V50 PolarHBondContact O-N 3.3Å
44	Q	93.6	Very high	95.9	Very high	162 Å²	162	50.1 Å²	50.1	76%	0.757	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.7	171.7	-78	-174.4	-25.2	0	0	110.6	E48	Q44-E48 CarbonylContact C-O 3.55Å; Q44-E48 VanDerWaalsContact CA-O 3.32Å; Q44-E48 WeakPolarHBondContact CA-O 3.41Å
45	F	93.9	Very high	96.1	Very high	16 Å²	16	48.8 Å²	48.8	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	124.3	171.2	-172	-109.4	0	0	0	109	V4 S47 E48 V50 F52 I110 I112 L143 M159 L162	V4-F45 HydrophobicContact CG2-CD1 4.33Å; F45-S47 VanDerWaalsContact C-N 3.27Å; F45-S47 PolarHBondContact O-N 2.87Å; F45-E48 PolarHBondContact N-O 2.91Å; F45-E48 PolarHBondContact O-N 2.8Å; F45-V50 HydrophobicContact CB-CG1 4.15Å; F45-V50 HydrophobicContact CB-CG2 3.57Å; F45-F52 HydrophobicContact CB-CE1 4.44Å; F45-F52 HydrophobicContact CB-CZ 3.85Å; F45-F52 HydrophobicContact CD2-CE1 4.43Å; F45-F52 HydrophobicContact CD2-CZ 4.23Å; F45-F52 HydrophobicContact CG-CZ 4.32Å; F45-I110 HydrophobicContact CD1-CD1 3.91Å; F45-I110 HydrophobicContact CE1-CD1 3.81Å; F45-I110 HydrophobicContact CE1-CG2 4.34Å; F45-I112 HydrophobicContact CE2-CD1 3.94Å; F45-I112 HydrophobicContact CZ-CD1 3.89Å; F45-L143 HydrophobicContact CE1-CD1 4.3Å; F45-L143 HydrophobicContact CZ-CD1 3.9Å; F45-M159 HydrophobicContact CD2-CE 3.46Å; F45-M159 VanDerWaalsContact CD2-CE 3.46Å; F45-M159 HydrophobicContact CE2-CE 3.53Å; F45-M159 HydrophobicContact CE2-SD 4.26Å; F45-L162 HydrophobicContact CE2-CD1 3.72Å; F45-L162 HydrophobicContact CZ-CD1 3.63Å
46	M	88.9	Confident	96.3	Very high	97 Å²	97	46.8 Å²	46.8	48%	0.478	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	47.3	-179.2	-61.3	-176.6	173.3	0	0	113.2	E48 R141 L143	M46-E48 PolarHBondContact O-N 3.28Å; M46-E48 VanDerWaalsContact O-N 3.17Å; M46-R141 VanDerWaalsContact CE-NH2 3.26Å; M46-R141 PolarHBondContact SD-NH1 3.37Å; M46-R141 PolarHBondContact SD-NH2 3.21Å; M46-L143 HydrophobicContact CE-CD1 4.19Å
47	S	89.1	Confident	96.4	Very high	121 Å²	121	46.8 Å²	46.8	85%	0.846	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	6.2	-179.1	-51.7	0	0	0	0	116.1	F45	F45-S47 VanDerWaalsContact C-N 3.27Å; F45-S47 PolarHBondContact O-N 2.87Å
48	E	92.8	Very high	96.3	Very high	114 Å²	114	47.3 Å²	47.3	53%	0.533	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.7	174.4	-65.6	-170.5	-179.9	0	0	111.8	Q44 F45 M46 V50	Q44-E48 CarbonylContact C-O 3.55Å; Q44-E48 VanDerWaalsContact CA-O 3.32Å; Q44-E48 WeakPolarHBondContact CA-O 3.41Å; F45-E48 PolarHBondContact N-O 2.91Å; F45-E48 PolarHBondContact O-N 2.8Å; M46-E48 PolarHBondContact O-N 3.28Å; M46-E48 VanDerWaalsContact O-N 3.17Å; E48-V50 HydrophobicContact CB-CG1 4.4Å
49	Q	96.2	Very high	96.1	Very high	137 Å²	137	48 Å²	48	64%	0.64	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.4	170.9	-165.3	169	12	0	0	109.6	M1 T42 G43	M1-Q49 WeakPolarHBondContact CG-O 3.45Å; M1-Q49 HydrophobicContact SD-CG 4.4Å; T42-Q49 HydrophobicContact CG2-CG 3.76Å; G43-Q49 WeakPolarHBondContact O-CA 3.28Å
50	V	96.7	Very high	96.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.2	-173.8	-59.3	0	0	0	0	112	Q2 V4 T42 G43 F45 E48 F52	Q2-V50 HydrophobicContact CB-CG1 4.34Å; Q2-V50 WeakPolarHBondContact O-CA 3.48Å; V4-V50 HydrophobicContact CG2-CB 3.92Å; V4-V50 HydrophobicContact CG2-CG1 4.19Å; V4-V50 HydrophobicContact CG2-CG2 3.81Å; T42-V50 WeakPolarHBondContact CA-O 3.28Å; G43-V50 PolarHBondContact N-O 2.66Å; G43-V50 PolarHBondContact O-N 3.3Å; F45-V50 HydrophobicContact CB-CG1 4.15Å; F45-V50 HydrophobicContact CB-CG2 3.57Å; E48-V50 HydrophobicContact CB-CG1 4.4Å; V50-F52 HydrophobicContact CG2-CD2 4.03Å; V50-F52 HydrophobicContact CG2-CE1 4.12Å; V50-F52 HydrophobicContact CG2-CE2 3.61Å; V50-F52 HydrophobicContact CG2-CG 4.49Å; V50-F52 HydrophobicContact CG2-CZ 3.68Å
51	R	97.3	Very high	96	Very high	111 Å²	111	49.6 Å²	49.6	42%	0.419	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.6	165.7	-172	177.6	177.4	157.5	0.2	108.8	M1 Q2 T3 V4 E40	M1-R51 HydrophobicContact CE-CB 3.65Å; M1-R51 HydrophobicContact CE-CG 4.34Å; Q2-R51 PolarHBondContact O-N 3.39Å; T3-R51 CarbonylContact C-O 3.33Å; T3-R51 WeakPolarHBondContact CA-O 3.44Å; V4-R51 PolarHBondContact N-O 3.42Å; E40-R51 IonicContact OE1-CZ 3.56Å; E40-R51 IonicContact OE1-NE 3.64Å; E40-R51 PolarHBondContact OE1-NE 3.02Å; E40-R51 IonicContact OE1-NH2 3.1Å; E40-R51 PolarHBondContact OE1-NH2 3.38Å; E40-R51 IonicContact OE2-NH2 2.68Å
52	F	98.3	Very high	96	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.044	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.9	168.6	-72.6	-71.1	0	0	0	110.3	V4 M6 E40 W41 F45 V50 M159	V4-F52 HydrophobicContact CB-CD1 3.74Å; V4-F52 HydrophobicContact CB-CE1 3.95Å; V4-F52 HydrophobicContact CG1-CD1 3.87Å; V4-F52 HydrophobicContact CG1-CE1 3.87Å; V4-F52 HydrophobicContact CG2-CD1 4.36Å; V4-F52 HydrophobicContact CG2-CE1 4.15Å; M6-F52 HydrophobicContact CE-CB 3.71Å; M6-F52 HydrophobicContact CE-CD1 3.51Å; M6-F52 HydrophobicContact CE-CE1 4.47Å; M6-F52 HydrophobicContact CE-CG 3.95Å; M6-F52 HydrophobicContact SD-CD1 3.68Å; M6-F52 HydrophobicContact SD-CE1 4.16Å; E40-F52 VanDerWaalsContact CA-O 3.3Å; E40-F52 WeakPolarHBondContact CA-O 3.21Å; W41-F52 AromaticContact CD1-CD2 3.78Å; W41-F52 HydrophobicContact CD2-CB 3.55Å; W41-F52 HydrophobicContact CD2-CD2 4.35Å; W41-F52 HydrophobicContact CD2-CG 4.27Å; W41-F52 AromaticContact CE2-CD2 3.64Å; W41-F52 AromaticContact CE2-CG 3.64Å; W41-F52 HydrophobicContact CE3-CB 3.85Å; W41-F52 HydrophobicContact CG-CB 4.15Å; W41-F52 HydrophobicContact CG-CD2 4.44Å; W41-F52 HydrophobicContact CH2-CB 3.96Å; W41-F52 HydrophobicContact CH2-CG 4.49Å; W41-F52 HydrophobicContact CZ2-CB 3.61Å; W41-F52 HydrophobicContact CZ2-CD1 4.32Å; W41-F52 HydrophobicContact CZ2-CD2 4.11Å; W41-F52 AromaticContact CZ2-CG 3.76Å; W41-F52 HydrophobicContact CZ2-CG 3.76Å; W41-F52 HydrophobicContact CZ3-CB 4.04Å; W41-F52 PolarHBondContact N-O 3.1Å; W41-F52 AromaticContact NE1-CD2 3.23Å; W41-F52 AromaticContact NE1-CE2 3.94Å; W41-F52 AromaticContact NE1-CG 3.76Å; W41-F52 PolarHBondContact O-N 3.13Å; F45-F52 HydrophobicContact CB-CE1 4.44Å; F45-F52 HydrophobicContact CB-CZ 3.85Å; F45-F52 HydrophobicContact CD2-CE1 4.43Å; F45-F52 HydrophobicContact CD2-CZ 4.23Å; F45-F52 HydrophobicContact CG-CZ 4.32Å; V50-F52 HydrophobicContact CG2-CD2 4.03Å; V50-F52 HydrophobicContact CG2-CE1 4.12Å; V50-F52 HydrophobicContact CG2-CE2 3.61Å; V50-F52 HydrophobicContact CG2-CG 4.49Å; V50-F52 HydrophobicContact CG2-CZ 3.68Å; F52-M159 HydrophobicContact CD1-CE 4.42Å; F52-M159 HydrophobicContact CE1-CE 3.34Å; F52-M159 HydrophobicContact CZ-CE 3.59Å
53	K	98.1	Very high	95.8	Very high	26 Å²	26	51 Å²	51	11%	0.113	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	91	178.7	-171.1	178	-174.6	-174.3	0	109.3	T3 V4 F5 M6 I38 E40 E104	T3-K53 HydrophobicContact CG2-CB 4.13Å; T3-K53 HydrophobicContact CG2-CD 4.45Å; V4-K53 PolarHBondContact O-N 3.03Å; F5-K53 WeakPolarHBondContact CA-O 3.43Å; F5-K53 HydrophobicContact CD2-CB 4.33Å; F5-K53 HydrophobicContact CD2-CD 4.23Å; F5-K53 HydrophobicContact CD2-CG 4.19Å; F5-K53 WeakPolarHBondContact CD2-O 3.45Å; M6-K53 PolarHBondContact N-O 3.5Å; I38-K53 HydrophobicContact CG2-CD 4.36Å; I38-K53 HydrophobicContact CG2-CG 3.6Å; E40-K53 HydrophobicContact CG-CG 4.22Å; K53-E104 WeakPolarHBondContact CE-O 3.44Å; K53-E104 WeakPolarHBondContact CE-OE2 3.35Å; K53-E104 PolarHBondContact NZ-O 3.32Å; K53-E104 IonicContact NZ-OE2 3.42Å; K53-E104 PolarHBondContact NZ-OE2 2.97Å
54	M	98.6	Very high	95.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.8	179.1	177.8	69.3	86.2	0	0	111.1	M6 A14 I17 A18 I38 H39 W41 W114	M6-M54 HydrophobicContact CB-CB 4.3Å; M6-M54 HydrophobicContact CB-CE 3.93Å; M6-M54 HydrophobicContact CB-SD 3.59Å; M6-M54 VanDerWaalsContact CB-SD 3.59Å; M6-M54 HydrophobicContact CE-CB 3.96Å; M6-M54 HydrophobicContact CE-CE 4.13Å; M6-M54 CarbonylContact O-C 3.58Å; M6-M54 WeakPolarHBondContact O-CA 3.38Å; M6-M54 HydrophobicContact SD-CE 4.38Å; A14-M54 HydrophobicContact CB-CG 4Å; A14-M54 HydrophobicContact CB-SD 4.39Å; I17-M54 HydrophobicContact CB-CE 3.75Å; I17-M54 HydrophobicContact CG2-CE 3.29Å; A18-M54 HydrophobicContact CB-CB 4.17Å; A18-M54 HydrophobicContact CB-CG 4.1Å; I38-M54 CarbonylContact C-O 3.51Å; I38-M54 WeakPolarHBondContact CA-O 3.14Å; H39-M54 HydrophobicContact CB-CB 4.21Å; H39-M54 PolarHBondContact N-O 3.4Å; H39-M54 PolarHBondContact O-N 3.04Å; W41-M54 HydrophobicContact CH2-CB 4.25Å; W41-M54 HydrophobicContact CZ3-CB 3.92Å; M54-W114 HydrophobicContact CE-CB 4.5Å; M54-W114 HydrophobicContact CE-CD2 4.41Å; M54-W114 HydrophobicContact CE-CG 4Å
55	T	98.7	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-167.6	167.9	-164.7	0	0	0	0	110	F5 M6 V7 A8 A14 S37 F100	F5-T55 HydrophobicContact CE2-CG2 3.58Å; F5-T55 HydrophobicContact CZ-CG2 3.47Å; F5-T55 VanDerWaalsContact CZ-CG2 3.47Å; M6-T55 PolarHBondContact O-N 3.28Å; V7-T55 WeakPolarHBondContact CA-O 3.45Å; V7-T55 HydrophobicContact CG2-CG2 4.34Å; A8-T55 PolarHBondContact N-O 2.92Å; A14-T55 WeakPolarHBondContact CB-O 3.32Å; S37-T55 WeakPolarHBondContact O-CB 3.28Å; S37-T55 PolarHBondContact O-OG1 2.75Å; T55-F100 HydrophobicContact CG2-CE1 4.07Å; T55-F100 HydrophobicContact CG2-CZ 4.33Å; T55-F100 WeakPolarHBondContact OG1-CE1 3.44Å; T55-F100 VanDerWaalsContact OG1-CZ 3.24Å; T55-F100 WeakPolarHBondContact OG1-CZ 3.44Å
56	S	98.7	Very high	95.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	164.3	179.2	52.8	0	0	0	0	112.3	A8 K10 P11 C36	A8-S56 CarbonylContact O-C 3.56Å; A8-S56 WeakPolarHBondContact O-CA 3.35Å; A8-S56 WeakPolarHBondContact O-CB 3.14Å; K10-S56 VanDerWaalsContact C-CB 3.42Å; K10-S56 WeakPolarHBondContact O-CB 3.43Å; P11-S56 WeakPolarHBondContact CA-OG 3.24Å; C36-S56 PolarHBondContact SG-O 2.87Å
57	V	98.4	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.			trans	-92.1	-164.1	156.4	-61.3	0	0	0	0	109.8	V7 A8 E9 G59 V61 M97 L101 L115 I124 V128	V7-V57 HydrophobicContact CG1-CG1 3.98Å; A8-V57 PolarHBondContact O-N 2.98Å; E9-V57 CarbonylContact O-C 3.54Å; E9-V57 WeakPolarHBondContact O-CG2 3.22Å; V57-G59 VanDerWaalsContact CG2-O 3.23Å; V57-G59 WeakPolarHBondContact CG2-O 3.18Å; V57-V61 HydrophobicContact CB-CG2 3.93Å; V57-V61 HydrophobicContact CG1-CG2 3.5Å; V57-V61 VanDerWaalsContact CG1-CG2 3.5Å; V57-V61 HydrophobicContact CG2-CG2 4.43Å; V57-M97 HydrophobicContact CB-CE 4.47Å; V57-M97 HydrophobicContact CB-SD 4.27Å; V57-M97 HydrophobicContact CG1-CG 4.25Å; V57-M97 HydrophobicContact CG1-SD 4.13Å; V57-L101 HydrophobicContact CG1-CD1 3.9Å; V57-L101 HydrophobicContact CG1-CD2 4.07Å; V57-L101 HydrophobicContact CG1-CG 4.41Å; V57-L115 HydrophobicContact CG2-CD2 4.37Å; V57-I124 HydrophobicContact CG2-CG2 3.96Å; V57-V128 HydrophobicContact CG1-CG2 3.86Å
58	C	96.9	Very high	95.9	Very high	53 Å²	53	40.6 Å²	40.6	36%	0.358	21%	0.211	S	C	.	.			trans	-133.2	60.8	176.6	-68.1	0	0	0	0	109.2	E9 L95 M97	E9-C58 PolarHBondContact O-N 2.94Å; C58-L95 HydrophobicContact CB-CD1 4.13Å; C58-M97 HydrophobicContact CB-CE 4.16Å
59	G	95.3	Very high	95.7	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	21%	0.214	C	C	.	.	S	Bend	trans	75.5	-152.2	-163.6	0	0	0	0	0	111.6	E9 V57 V61	E9-G59 PolarHBondContact O-N 3.04Å; V57-G59 VanDerWaalsContact CG2-O 3.23Å; V57-G59 WeakPolarHBondContact CG2-O 3.18Å; G59-V61 PolarHBondContact O-N 3Å
60	H	97.1	Very high	95.4	Very high	52 Å²	52	37.6 Å²	37.6	24%	0.241	19%	0.189	C	C	.	.			trans	-50.7	127.5	176.9	-87.2	-79.7	0	0	0	112.7	M62 A91 E120 N123 E127 Q177	H60-M62 WeakPolarHBondContact CB-O 3.43Å; H60-A91 WeakPolarHBondContact O-CB 3.4Å; H60-E120 IonicContact CE1-OE2 2.79Å; H60-E120 IonicContact NE2-OE2 2.61Å; H60-E120 PolarHBondContact NE2-OE2 2.84Å; H60-N123 PolarHBondContact CE1-OD1 2.86Å; H60-E127 IonicContact CE1-OE1 2.61Å; H60-E127 IonicContact ND1-OE1 3.24Å; H60-E127 PolarHBondContact ND1-OE1 3.24Å; H60-E127 IonicContact ND1-OE2 2.75Å; H60-Q177 PolarHBondContact CE1-NE2 3.07Å
61	V	97.5	Very high	94.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	20%	0.201	C	C	.	.	S	Bend	trans	-75.6	-38	173.3	-178.9	0	0	0	0	109.3	V57 G59 E90 A91 M97 V98 L101 I124 E127 V128	V57-V61 HydrophobicContact CB-CG2 3.93Å; V57-V61 HydrophobicContact CG1-CG2 3.5Å; V57-V61 VanDerWaalsContact CG1-CG2 3.5Å; V57-V61 HydrophobicContact CG2-CG2 4.43Å; G59-V61 PolarHBondContact O-N 3Å; V61-E90 WeakPolarHBondContact O-CA 3.34Å; V61-A91 PolarHBondContact O-N 2.68Å; V61-M97 HydrophobicContact CB-CG 4.44Å; V61-M97 HydrophobicContact CG1-CB 4.11Å; V61-M97 HydrophobicContact CG1-CG 3.88Å; V61-M97 HydrophobicContact CG2-CG 4.04Å; V61-V98 HydrophobicContact CG1-CG2 4.08Å; V61-L101 HydrophobicContact CG2-CD1 4.25Å; V61-I124 HydrophobicContact CG2-CG2 4.41Å; V61-E127 WeakPolarHBondContact CA-OE2 3.1Å; V61-E127 HydrophobicContact CB-CB 4.19Å; V61-E127 WeakPolarHBondContact CB-OE2 3.38Å; V61-E127 HydrophobicContact CG2-CB 4.46Å; V61-E127 PolarHBondContact N-OE2 2.88Å; V61-V128 HydrophobicContact CG2-CG2 4.46Å
62	M	96.7	Very high	94.3	Very high	38 Å²	38	36.1 Å²	36.1	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.2	-176	-53.4	-61.9	-102.8	0	0	111.6	H60 K88 K89 E90 V98 E127	H60-M62 WeakPolarHBondContact CB-O 3.43Å; M62-K88 HydrophobicContact CB-CB 4.04Å; M62-K88 HydrophobicContact CB-CD 4.18Å; M62-K88 HydrophobicContact CB-CG 4.44Å; M62-K88 HydrophobicContact CE-CB 3.9Å; M62-K88 WeakPolarHBondContact CE-O 3.48Å; M62-K88 HydrophobicContact CG-CB 4.35Å; M62-K89 CarbonylContact C-O 3.59Å; M62-K89 WeakPolarHBondContact CA-O 3.17Å; M62-E90 HydrophobicContact SD-CG 4.41Å; M62-V98 HydrophobicContact SD-CG2 4.22Å; M62-E127 HydrophobicContact CB-CG 4.37Å; M62-E127 HydrophobicContact CG-CB 4.4Å; M62-E127 HydrophobicContact CG-CG 4.21Å; M62-E127 PolarHBondContact N-OE2 3.2Å; M62-E127 VanDerWaalsContact N-OE2 3.12Å
63	N	94.5	Very high	93.7	Very high	94 Å²	94	41.1 Å²	41.1	50%	0.503	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.9	166	-162.9	12.2	0	0	0	108.3	K88 K89 A91	N63-K88 WeakPolarHBondContact O-CA 3.39Å; N63-K89 PolarHBondContact N-O 2.78Å; N63-K89 PolarHBondContact O-N 2.66Å; N63-A91 HydrophobicContact CB-CB 4.16Å
64	V	94.5	Very high	92.9	Very high	14 Å²	14	44 Å²	44	9%	0.085	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.1	175.9	66.2	0	0	0	0	109.8	I86 Q177 L181	V64-I86 HydrophobicContact CG2-CB 3.99Å; V64-I86 HydrophobicContact CG2-CD1 3.54Å; V64-I86 HydrophobicContact CG2-CG1 4.32Å; V64-I86 HydrophobicContact CG2-CG2 4.41Å; V64-Q177 HydrophobicContact CG1-CB 3.8Å; V64-L181 HydrophobicContact CG1-CB 4.48Å; V64-L181 HydrophobicContact CG1-CD2 4.08Å; V64-L181 HydrophobicContact CG2-CD2 4.01Å
65	D	94.7	Very high	92.2	Very high	43 Å²	43	50.1 Å²	50.1	23%	0.23	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	164	175.9	-172.8	23.1	0	0	0	109.4	N71 I86 E87 K89	D65-N71 PolarHBondContact OD1-OD1 2.86Å; D65-N71 PolarHBondContact OD2-ND2 2.85Å; D65-I86 CarbonylContact O-C 3.55Å; D65-I86 VanDerWaalsContact O-CA 3.32Å; D65-I86 WeakPolarHBondContact O-CA 3.3Å; D65-E87 PolarHBondContact N-O 2.99Å; D65-E87 PolarHBondContact O-N 2.74Å; D65-E87 VanDerWaalsContact O-O 3.12Å; D65-K89 HydrophobicContact CB-CD 4.26Å; D65-K89 IonicContact OD2-NZ 3.93Å; D65-K89 PolarHBondContact OD2-NZ 3.46Å
66	F	94.2	Very high	91.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	157.5	171.3	-55.6	-81.2	0	0	0	111.1	S68 L81 A84 I86 K89 L181 R182 C185	F66-S68 PolarHBondContact O-N 2.87Å; F66-L81 HydrophobicContact CD1-CD2 4.21Å; F66-L81 HydrophobicContact CD2-CD2 4.3Å; F66-L81 HydrophobicContact CE1-CB 4.09Å; F66-L81 HydrophobicContact CE1-CD2 4.02Å; F66-L81 HydrophobicContact CE2-CD1 4.41Å; F66-L81 HydrophobicContact CE2-CD2 4.12Å; F66-L81 HydrophobicContact CG-CD2 4.33Å; F66-L81 HydrophobicContact CZ-CB 3.88Å; F66-L81 HydrophobicContact CZ-CD1 4.39Å; F66-L81 HydrophobicContact CZ-CD2 3.97Å; F66-L81 HydrophobicContact CZ-CG 4.3Å; F66-A84 HydrophobicContact CD1-CB 3.85Å; F66-A84 HydrophobicContact CE1-CB 4.16Å; F66-I86 HydrophobicContact CD1-CG2 3.86Å; F66-I86 HydrophobicContact CE1-CG2 4.15Å; F66-K89 PolarHBondContact O-NZ 3.48Å; F66-L181 HydrophobicContact CD2-CD1 4.44Å; F66-L181 HydrophobicContact CD2-CD2 4.37Å; F66-L181 HydrophobicContact CD2-CG 4.47Å; F66-L181 HydrophobicContact CE2-CD1 3.91Å; F66-L181 HydrophobicContact CE2-CD2 4.14Å; F66-L181 HydrophobicContact CE2-CG 3.82Å; F66-L181 HydrophobicContact CZ-CD2 4.25Å; F66-L181 HydrophobicContact CZ-CG 3.94Å; F66-R182 HydrophobicContact CE1-CG 4.22Å; F66-R182 HydrophobicContact CZ-CG 4.39Å; F66-C185 HydrophobicContact CE2-CB 3.89Å; F66-C185 HydrophobicContact CZ-CB 4.28Å
67	L	90.5	Very high	91.5	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.277	28%	0.279	S	S	.	.			trans	-54.3	140.4	166.5	-68.1	-173.4	0	0	0	109.8	R69 Y70 P85 E87	L67-R69 PolarHBondContact O-N 2.65Å; L67-Y70 HydrophobicContact CB-CD2 4.21Å; L67-Y70 PolarHBondContact O-N 3.16Å; L67-P85 HydrophobicContact CD1-CB 3.82Å; L67-P85 HydrophobicContact CD1-CG 3.5Å; L67-P85 VanDerWaalsContact CD1-CG 3.5Å; L67-P85 HydrophobicContact CG-CB 4.1Å; L67-P85 HydrophobicContact CG-CG 3.98Å; L67-P85 PolarHBondContact N-O 3.4Å; L67-E87 HydrophobicContact CD2-CB 3.89Å; L67-E87 HydrophobicContact CD2-CG 3.82Å
68	S	88.3	Confident	91.4	Very high	88 Å²	88	55.3 Å²	55.3	62%	0.615	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-46.5	-31.6	-171.1	61.1	0	0	0	0	116.3	F66 Y70 N71	F66-S68 PolarHBondContact O-N 2.87Å; S68-Y70 VanDerWaalsContact C-N 3.27Å; S68-Y70 PolarHBondContact O-N 2.81Å; S68-N71 PolarHBondContact O-N 2.81Å
69	R	88.4	Confident	91.3	Very high	159 Å²	159	54.8 Å²	54.8	60%	0.6	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.8	-30.9	176.5	73.3	-177.4	-173	-152.1	-1.3	113.6	L67	L67-R69 PolarHBondContact O-N 2.65Å
70	Y	90.5	Very high	91.4	Very high	29 Å²	29	58.4 Å²	58.4	11%	0.114	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-86.7	-4.8	-179.9	-66.2	-75.2	0	0	0	113.4	L67 S68 S72 V76 L81 A84 P85 R189	L67-Y70 HydrophobicContact CB-CD2 4.21Å; L67-Y70 PolarHBondContact O-N 3.16Å; S68-Y70 VanDerWaalsContact C-N 3.27Å; S68-Y70 PolarHBondContact O-N 2.81Å; Y70-S72 VanDerWaalsContact C-N 3.32Å; Y70-S72 PolarHBondContact O-N 3.14Å; Y70-V76 HydrophobicContact CD1-CG1 3.9Å; Y70-V76 HydrophobicContact CD1-CG2 4.45Å; Y70-L81 HydrophobicContact CD1-CD2 4.48Å; Y70-A84 HydrophobicContact CD1-CB 3.82Å; Y70-A84 HydrophobicContact CD2-CB 3.99Å; Y70-A84 HydrophobicContact CE1-CB 3.9Å; Y70-A84 HydrophobicContact CE2-CB 4.06Å; Y70-A84 HydrophobicContact CG-CB 3.88Å; Y70-P85 HydrophobicContact CD2-CG 4.39Å; Y70-P85 VanDerWaalsContact CE2-CD 3.47Å; Y70-P85 HydrophobicContact CE2-CG 3.69Å; Y70-R189 PolarHBondContact O-NH1 3.4Å
71	N	85.3	Confident	91.3	Very high	49 Å²	49	56 Å²	56	26%	0.262	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-82.9	-6.7	-178.2	-73.4	-5.4	0	0	0	113.9	D65 S68 W73	D65-N71 PolarHBondContact OD1-OD1 2.86Å; D65-N71 PolarHBondContact OD2-ND2 2.85Å; S68-N71 PolarHBondContact O-N 2.81Å; N71-W73 PolarHBondContact O-N 2.79Å
72	S	84.7	Confident	91.3	Very high	32 Å²	32	56.4 Å²	56.4	22%	0.224	29%	0.285	C	S	.	.			trans	-82	112.6	174.4	-177.2	0	0	0	0	110.2	Y70 D74 K75 V76	Y70-S72 VanDerWaalsContact C-N 3.32Å; Y70-S72 PolarHBondContact O-N 3.14Å; S72-D74 PolarHBondContact O-N 3.49Å; S72-K75 WeakPolarHBondContact OG-CG 3.27Å; S72-V76 WeakPolarHBondContact O-CB 3.38Å; S72-V76 VanDerWaalsContact O-CG2 3.25Å; S72-V76 WeakPolarHBondContact O-CG2 3.29Å; S72-V76 PolarHBondContact O-N 2.88Å
73	W	86.7	Confident	91.3	Very high	114 Å²	114	60.5 Å²	60.5	43%	0.432	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28	180	-69.1	40.2	0	0	0	112.4	N71 T188 R189 T192	N71-W73 PolarHBondContact O-N 2.79Å; W73-T188 HydrophobicContact CH2-CG2 4Å; W73-T188 HydrophobicContact CZ3-CG2 4.38Å; W73-R189 HydrophobicContact CD2-CB 4.41Å; W73-R189 HydrophobicContact CD2-CG 3.58Å; W73-R189 HydrophobicContact CE3-CB 4.13Å; W73-R189 HydrophobicContact CE3-CG 3.65Å; W73-R189 HydrophobicContact CG-CG 4.15Å; W73-R189 HydrophobicContact CH2-CG 3.97Å; W73-R189 HydrophobicContact CZ2-CG 3.92Å; W73-R189 HydrophobicContact CZ3-CB 4.39Å; W73-R189 HydrophobicContact CZ3-CG 3.84Å; W73-T192 HydrophobicContact CE3-CG2 4.43Å; W73-T192 HydrophobicContact CZ3-CG2 3.98Å
74	D	81.4	Confident	91.3	Very high	87 Å²	87	56.1 Å²	56.1	47%	0.465	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-35.1	-177.8	-57.8	-42.3	0	0	0	112.9	S72 K193	S72-D74 PolarHBondContact O-N 3.49Å; D74-K193 PolarHBondContact O-NZ 3.21Å
75	K	84.4	Confident	91.3	Very high	129 Å²	129	57.8 Å²	57.8	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.7	-168.2	-64.5	-176.2	179.4	-174.3	0	114.5	S72 R832	S72-K75 WeakPolarHBondContact OG-CG 3.27Å; K75-R832 PolarHBondContact NZ-O 2.91Å; K75-R832 VanDerWaalsContact NZ-O 3.08Å
76	V	88.8	Confident	91.4	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.079	30%	0.301	C	S	.	.	S	Bend	trans	-111.8	128.8	-171.4	177.4	0	0	0	0	108.2	Y70 S72 P78 L81	Y70-V76 HydrophobicContact CD1-CG1 3.9Å; Y70-V76 HydrophobicContact CD1-CG2 4.45Å; S72-V76 WeakPolarHBondContact O-CB 3.38Å; S72-V76 VanDerWaalsContact O-CG2 3.25Å; S72-V76 WeakPolarHBondContact O-CG2 3.29Å; S72-V76 PolarHBondContact O-N 2.88Å; V76-P78 WeakPolarHBondContact O-CD 3.43Å; V76-L81 HydrophobicContact CG1-CD2 3.97Å; V76-L81 HydrophobicContact CG1-CG 4.49Å
77	D	93.2	Very high	91.4	Very high	86 Å²	86	61.5 Å²	61.5	46%	0.46	32%	0.317	S	S	.	.			trans	-66.2	121.6	167.2	-173.6	-23.8	0	0	0	108.5	A79 E80	D77-A79 PolarHBondContact O-N 3Å; D77-A79 VanDerWaalsContact O-N 3.09Å; D77-A79 WeakPolarHBondContact OD1-CB 3.36Å; D77-A79 PolarHBondContact OD1-N 3.31Å; D77-E80 HydrophobicContact CB-CG 4.22Å; D77-E80 WeakPolarHBondContact O-CB 3.36Å; D77-E80 PolarHBondContact O-N 3.08Å
78	P	95.5	Very high	91.5	Very high	11 Å²	11	62.3 Å²	62.3	7%	0.071	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-58.1	-22.5	179.5	-19.3	30.4	0	0	0	113.8	V76 E80 L81 A186 R189 F190 Y591	V76-P78 WeakPolarHBondContact O-CD 3.43Å; P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 3.21Å; P78-L81 WeakPolarHBondContact O-CB 3.45Å; P78-L81 WeakPolarHBondContact O-CG 3.42Å; P78-L81 PolarHBondContact O-N 3.22Å; P78-A186 WeakPolarHBondContact CB-O 3.47Å; P78-R189 HydrophobicContact CB-CB 4.3Å; P78-R189 HydrophobicContact CG-CB 4.13Å; P78-F190 HydrophobicContact CB-CB 4.25Å; P78-F190 HydrophobicContact CG-CB 4.12Å; P78-Y591 WeakPolarHBondContact CB-OH 3.47Å
79	A	96.3	Very high	91.8	Very high	41 Å²	41	61.2 Å²	61.2	34%	0.339	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.6	-32.2	173.2	0	0	0	0	0	112.9	D77 L81 Y591	D77-A79 PolarHBondContact O-N 3Å; D77-A79 VanDerWaalsContact O-N 3.09Å; D77-A79 WeakPolarHBondContact OD1-CB 3.36Å; D77-A79 PolarHBondContact OD1-N 3.31Å; A79-L81 PolarHBondContact O-N 2.97Å; A79-Y591 HydrophobicContact CB-CE1 3.79Å
80	E	95.7	Very high	92.2	Very high	91 Å²	91	56 Å²	56	43%	0.425	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.5	178.9	-68.2	179.3	-138.4	0	0	112.4	D77 P78 F82 V83 A84	D77-E80 HydrophobicContact CB-CG 4.22Å; D77-E80 WeakPolarHBondContact O-CB 3.36Å; D77-E80 PolarHBondContact O-N 3.08Å; P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 3.21Å; E80-F82 PolarHBondContact O-N 2.87Å; E80-V83 PolarHBondContact O-N 3.28Å; E80-V83 VanDerWaalsContact O-N 3.11Å; E80-A84 WeakPolarHBondContact O-CB 3.23Å; E80-A84 PolarHBondContact O-N 2.95Å
81	L	96.8	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-67.6	-19.7	-175.7	-59.9	-179	0	0	0	113.4	F66 Y70 V76 P78 A79 V83 A84 R182 C185 A186	F66-L81 HydrophobicContact CD1-CD2 4.21Å; F66-L81 HydrophobicContact CD2-CD2 4.3Å; F66-L81 HydrophobicContact CE1-CB 4.09Å; F66-L81 HydrophobicContact CE1-CD2 4.02Å; F66-L81 HydrophobicContact CE2-CD1 4.41Å; F66-L81 HydrophobicContact CE2-CD2 4.12Å; F66-L81 HydrophobicContact CG-CD2 4.33Å; F66-L81 HydrophobicContact CZ-CB 3.88Å; F66-L81 HydrophobicContact CZ-CD1 4.39Å; F66-L81 HydrophobicContact CZ-CD2 3.97Å; F66-L81 HydrophobicContact CZ-CG 4.3Å; Y70-L81 HydrophobicContact CD1-CD2 4.48Å; V76-L81 HydrophobicContact CG1-CD2 3.97Å; V76-L81 HydrophobicContact CG1-CG 4.49Å; P78-L81 WeakPolarHBondContact O-CB 3.45Å; P78-L81 WeakPolarHBondContact O-CG 3.42Å; P78-L81 PolarHBondContact O-N 3.22Å; A79-L81 PolarHBondContact O-N 2.97Å; L81-V83 PolarHBondContact O-N 3.08Å; L81-A84 HydrophobicContact CD2-CB 4.38Å; L81-R182 PolarHBondContact O-NH1 3.47Å; L81-C185 HydrophobicContact CD1-CB 3.88Å; L81-A186 HydrophobicContact CB-CB 4.42Å
82	F	96.9	Very high	92.8	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.057	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-65.2	-27.7	173.2	-75	-81.6	0	0	0	112.9	E80 R182 I183 A186 F187 L584 F587 A588 Y591	E80-F82 PolarHBondContact O-N 2.87Å; F82-R182 PolarHBondContact O-NH1 2.81Å; F82-I183 HydrophobicContact CE1-CG1 4.31Å; F82-A186 HydrophobicContact CD2-CB 4.09Å; F82-A186 HydrophobicContact CE2-CB 3.43Å; F82-A186 VanDerWaalsContact CE2-CB 3.43Å; F82-A186 HydrophobicContact CZ-CB 3.8Å; F82-F187 HydrophobicContact CZ-CE2 4.21Å; F82-L584 HydrophobicContact CD1-CD2 4.17Å; F82-F587 HydrophobicContact CE1-CB 3.86Å; F82-A588 HydrophobicContact CB-CB 4.36Å; F82-A588 HydrophobicContact CD1-CB 3.84Å; F82-A588 HydrophobicContact CD2-CB 4.24Å; F82-A588 HydrophobicContact CE1-CB 4.2Å; F82-A588 HydrophobicContact CG-CB 3.88Å; F82-Y591 AromaticContact CE2-CD1 3.74Å; F82-Y591 HydrophobicContact CE2-CD1 3.74Å; F82-Y591 HydrophobicContact CE2-CD2 4.02Å; F82-Y591 HydrophobicContact CE2-CE1 4.46Å; F82-Y591 AromaticContact CE2-CG 3.5Å; F82-Y591 HydrophobicContact CE2-CG 3.5Å; F82-Y591 VanDerWaalsContact CE2-CG 3.5Å; F82-Y591 HydrophobicContact CZ-CD2 4.35Å; F82-Y591 AromaticContact CZ-CG 3.92Å; F82-Y591 HydrophobicContact CZ-CG 3.92Å
83	V	95.8	Very high	93.3	Very high	125 Å²	125	61 Å²	61	76%	0.758	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-4.4	-178.2	-61.3	0	0	0	0	113.4	E80 L81	E80-V83 PolarHBondContact O-N 3.28Å; E80-V83 VanDerWaalsContact O-N 3.11Å; L81-V83 PolarHBondContact O-N 3.08Å
84	A	94.9	Very high	93.7	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.017	34%	0.341	C	S	.	.			trans	-58.7	137.8	-179.3	0	0	0	0	0	111.6	F66 Y70 E80 L81 I86 R182	F66-A84 HydrophobicContact CD1-CB 3.85Å; F66-A84 HydrophobicContact CE1-CB 4.16Å; Y70-A84 HydrophobicContact CD1-CB 3.82Å; Y70-A84 HydrophobicContact CD2-CB 3.99Å; Y70-A84 HydrophobicContact CE1-CB 3.9Å; Y70-A84 HydrophobicContact CE2-CB 4.06Å; Y70-A84 HydrophobicContact CG-CB 3.88Å; E80-A84 WeakPolarHBondContact O-CB 3.23Å; E80-A84 PolarHBondContact O-N 2.95Å; L81-A84 HydrophobicContact CD2-CB 4.38Å; A84-I86 PolarHBondContact O-N 3.31Å; A84-R182 VanDerWaalsContact O-CZ 3.24Å; A84-R182 PolarHBondContact O-NH1 3.39Å; A84-R182 PolarHBondContact O-NH2 3.35Å
85	P	95.1	Very high	94.3	Very high	49 Å²	49	62.1 Å²	62.1	32%	0.318	33%	0.328	S	S	.	.			trans	-62.3	138.1	174.3	25.7	-36.6	0	0	0	111.6	L67 Y70	L67-P85 HydrophobicContact CD1-CB 3.82Å; L67-P85 HydrophobicContact CD1-CG 3.5Å; L67-P85 VanDerWaalsContact CD1-CG 3.5Å; L67-P85 HydrophobicContact CG-CB 4.1Å; L67-P85 HydrophobicContact CG-CG 3.98Å; L67-P85 PolarHBondContact N-O 3.4Å; Y70-P85 HydrophobicContact CD2-CG 4.39Å; Y70-P85 VanDerWaalsContact CE2-CD 3.47Å; Y70-P85 HydrophobicContact CE2-CG 3.69Å
86	I	95.3	Very high	94.9	Very high	50 Å²	50	61.5 Å²	61.5	26%	0.256	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	158	175.2	56.6	159.8	0	0	0	110.5	V64 D65 F66 A84 E178 L181	V64-I86 HydrophobicContact CG2-CB 3.99Å; V64-I86 HydrophobicContact CG2-CD1 3.54Å; V64-I86 HydrophobicContact CG2-CG1 4.32Å; V64-I86 HydrophobicContact CG2-CG2 4.41Å; D65-I86 CarbonylContact O-C 3.55Å; D65-I86 VanDerWaalsContact O-CA 3.32Å; D65-I86 WeakPolarHBondContact O-CA 3.3Å; F66-I86 HydrophobicContact CD1-CG2 3.86Å; F66-I86 HydrophobicContact CE1-CG2 4.15Å; A84-I86 PolarHBondContact O-N 3.31Å; I86-E178 HydrophobicContact CD1-CB 4.27Å; I86-E178 HydrophobicContact CD1-CG 3.81Å; I86-L181 HydrophobicContact CG2-CD2 4.18Å
87	E	94.6	Very high	95.3	Very high	70 Å²	70	61.3 Å²	61.3	33%	0.327	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.7	172.4	63.4	-176.1	158	0	0	110.2	D65 L67 K89	D65-E87 PolarHBondContact N-O 2.99Å; D65-E87 PolarHBondContact O-N 2.74Å; D65-E87 VanDerWaalsContact O-O 3.12Å; L67-E87 HydrophobicContact CD2-CB 3.89Å; L67-E87 HydrophobicContact CD2-CG 3.82Å; E87-K89 HydrophobicContact CG-CD 4.48Å; E87-K89 HydrophobicContact CG-CG 4.09Å; E87-K89 WeakPolarHBondContact OE1-CE 3.38Å; E87-K89 IonicContact OE1-NZ 3.63Å; E87-K89 PolarHBondContact OE1-NZ 2.57Å
88	K	94.2	Very high	95.5	Very high	71 Å²	71	57.8 Å²	57.8	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.2	169.2	-73.7	-166.1	175.8	-163.3	0	108.9	M62 N63 D174	M62-K88 HydrophobicContact CB-CB 4.04Å; M62-K88 HydrophobicContact CB-CD 4.18Å; M62-K88 HydrophobicContact CB-CG 4.44Å; M62-K88 HydrophobicContact CE-CB 3.9Å; M62-K88 WeakPolarHBondContact CE-O 3.48Å; M62-K88 HydrophobicContact CG-CB 4.35Å; N63-K88 WeakPolarHBondContact O-CA 3.39Å; K88-D174 WeakPolarHBondContact CE-OD1 3.37Å; K88-D174 IonicContact NZ-OD1 3.06Å; K88-D174 PolarHBondContact NZ-OD1 2.9Å; K88-D174 IonicContact NZ-OD2 2.83Å
89	K	93.6	Very high	95.6	Very high	64 Å²	64	61 Å²	61	28%	0.278	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156	174.5	-65.6	175.8	-171.9	156.7	0	109.8	M62 N63 D65 F66 E87 A91	M62-K89 CarbonylContact C-O 3.59Å; M62-K89 WeakPolarHBondContact CA-O 3.17Å; N63-K89 PolarHBondContact N-O 2.78Å; N63-K89 PolarHBondContact O-N 2.66Å; D65-K89 HydrophobicContact CB-CD 4.26Å; D65-K89 IonicContact OD2-NZ 3.93Å; D65-K89 PolarHBondContact OD2-NZ 3.46Å; F66-K89 PolarHBondContact O-NZ 3.48Å; E87-K89 HydrophobicContact CG-CD 4.48Å; E87-K89 HydrophobicContact CG-CG 4.09Å; E87-K89 WeakPolarHBondContact OE1-CE 3.38Å; E87-K89 IonicContact OE1-NZ 3.63Å; E87-K89 PolarHBondContact OE1-NZ 2.57Å; K89-A91 PolarHBondContact O-N 2.87Å
90	E	95.8	Very high	95.7	Very high	51 Å²	51	59.1 Å²	59.1	24%	0.238	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	126	171.8	-75.7	-165.6	-140.9	0	0	110.6	V61 M62 N92 P93 K96 M97 V98	V61-E90 WeakPolarHBondContact O-CA 3.34Å; M62-E90 HydrophobicContact SD-CG 4.41Å; E90-N92 PolarHBondContact O-N 3.49Å; E90-P93 HydrophobicContact CB-CG 4.33Å; E90-P93 WeakPolarHBondContact O-CD 3.46Å; E90-K96 WeakPolarHBondContact OE2-CA 3.39Å; E90-M97 PolarHBondContact OE2-N 3.38Å; E90-V98 HydrophobicContact CG-CG2 3.67Å
91	A	95.4	Very high	95.9	Very high	48 Å²	48	54.8 Å²	54.8	40%	0.397	29%	0.286	S	S	.	.	S	Bend	trans	-61.6	-35.9	-179.1	0	0	0	0	0	111.6	H60 V61 N63 K89	H60-A91 WeakPolarHBondContact O-CB 3.4Å; V61-A91 PolarHBondContact O-N 2.68Å; N63-A91 HydrophobicContact CB-CB 4.16Å; K89-A91 PolarHBondContact O-N 2.87Å
92	N	94.8	Very high	95.9	Very high	75 Å²	75	59.4 Å²	59.4	40%	0.401	30%	0.303	S	S	.	.			trans	-133.4	89	173	-171.7	-10	0	0	0	111.1	E90 K94 L95	E90-N92 PolarHBondContact O-N 3.49Å; N92-K94 PolarHBondContact O-N 3.12Å; N92-K94 WeakPolarHBondContact OD1-CB 3.48Å; N92-K94 PolarHBondContact OD1-N 3.14Å; N92-L95 HydrophobicContact CB-CD1 4.06Å; N92-L95 HydrophobicContact CB-CG 4.18Å; N92-L95 PolarHBondContact O-N 3.38Å
93	P	93.8	Very high	95.9	Very high	90 Å²	90	64 Å²	64	58%	0.584	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.5	-177	-25.7	34.9	0	0	0	114.6	E90 L95 K96	E90-P93 HydrophobicContact CB-CG 4.33Å; E90-P93 WeakPolarHBondContact O-CD 3.46Å; P93-L95 VanDerWaalsContact C-N 3.28Å; P93-L95 PolarHBondContact O-N 2.88Å; P93-K96 PolarHBondContact O-N 3.07Å
94	K	94.7	Very high	96	Very high	191 Å²	191	58.2 Å²	58.2	83%	0.83	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.6	176.7	-63	179.7	-179.3	174.9	0	112.2	N92	N92-K94 PolarHBondContact O-N 3.12Å; N92-K94 WeakPolarHBondContact OD1-CB 3.48Å; N92-K94 PolarHBondContact OD1-N 3.14Å
95	L	95.2	Very high	96.1	Very high	34 Å²	34	58.1 Å²	58.1	18%	0.178	29%	0.289	C	S	.	.	S	Bend	trans	-80.7	-17.3	179.2	-63.9	-179.1	0	0	0	112.8	N33 A35 C58 N92 P93 M97	N33-L95 WeakPolarHBondContact CB-O 3.21Å; A35-L95 HydrophobicContact CB-CD2 3.74Å; C58-L95 HydrophobicContact CB-CD1 4.13Å; N92-L95 HydrophobicContact CB-CD1 4.06Å; N92-L95 HydrophobicContact CB-CG 4.18Å; N92-L95 PolarHBondContact O-N 3.38Å; P93-L95 VanDerWaalsContact C-N 3.28Å; P93-L95 PolarHBondContact O-N 2.88Å; L95-M97 HydrophobicContact CB-CE 4.41Å; L95-M97 HydrophobicContact CD1-CE 4.17Å; L95-M97 PolarHBondContact O-N 3.16Å
96	K	96.6	Very high	96.2	Very high	117 Å²	117	62.6 Å²	62.6	51%	0.509	30%	0.303	S	S	.	.			trans	46.7	49.5	-175	-58.6	-172.3	175.9	-170.6	0	111.4	F32 E90 P93 V98 D99 F100	F32-K96 HydrophobicContact CE2-CB 4.42Å; E90-K96 WeakPolarHBondContact OE2-CA 3.39Å; P93-K96 PolarHBondContact O-N 3.07Å; K96-V98 VanDerWaalsContact C-N 3.29Å; K96-V98 PolarHBondContact O-N 3.37Å; K96-D99 HydrophobicContact CB-CB 4.32Å; K96-D99 PolarHBondContact O-N 3.08Å; K96-F100 WeakPolarHBondContact O-CB 3.45Å; K96-F100 PolarHBondContact O-N 2.92Å
97	M	97.8	Very high	96.1	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.039	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-35.5	-166.1	-173.4	60.2	71.9	0	0	111.2	V57 C58 V61 E90 L95 F100 L101	V57-M97 HydrophobicContact CB-CE 4.47Å; V57-M97 HydrophobicContact CB-SD 4.27Å; V57-M97 HydrophobicContact CG1-CG 4.25Å; V57-M97 HydrophobicContact CG1-SD 4.13Å; C58-M97 HydrophobicContact CB-CE 4.16Å; V61-M97 HydrophobicContact CB-CG 4.44Å; V61-M97 HydrophobicContact CG1-CB 4.11Å; V61-M97 HydrophobicContact CG1-CG 3.88Å; V61-M97 HydrophobicContact CG2-CG 4.04Å; E90-M97 PolarHBondContact OE2-N 3.38Å; L95-M97 HydrophobicContact CB-CE 4.41Å; L95-M97 HydrophobicContact CD1-CE 4.17Å; L95-M97 PolarHBondContact O-N 3.16Å; M97-F100 WeakPolarHBondContact O-CB 3.44Å; M97-F100 PolarHBondContact O-N 3.25Å; M97-F100 HydrophobicContact SD-CD1 3.82Å; M97-L101 HydrophobicContact CG-CD1 4.28Å; M97-L101 HydrophobicContact CG-CG 4.48Å; M97-L101 WeakPolarHBondContact O-CG 3.29Å; M97-L101 PolarHBondContact O-N 3.02Å; M97-L101 HydrophobicContact SD-CG 4.46Å
98	V	97.6	Very high	96.1	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-47.7	177.9	179	0	0	0	0	110.9	V61 M62 E90 K96 F100 L101 R102 C131	V61-V98 HydrophobicContact CG1-CG2 4.08Å; M62-V98 HydrophobicContact SD-CG2 4.22Å; E90-V98 HydrophobicContact CG-CG2 3.67Å; K96-V98 VanDerWaalsContact C-N 3.29Å; K96-V98 PolarHBondContact O-N 3.37Å; V98-F100 VanDerWaalsContact C-N 3.26Å; V98-F100 PolarHBondContact O-N 2.86Å; V98-L101 PolarHBondContact O-N 3.07Å; V98-R102 VanDerWaalsContact CG1-CZ 3.5Å; V98-R102 WeakPolarHBondContact O-CB 3.32Å; V98-R102 WeakPolarHBondContact O-CG 3.45Å; V98-R102 PolarHBondContact O-N 2.83Å; V98-C131 HydrophobicContact CG1-CB 4.42Å
99	D	97.6	Very high	96.2	Very high	79 Å²	79	58.4 Å²	58.4	42%	0.422	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-38.7	176.6	-68.5	-26.5	0	0	0	111	F32 K96 R102 H103	F32-D99 HydrophobicContact CZ-CB 4.01Å; K96-D99 HydrophobicContact CB-CB 4.32Å; K96-D99 PolarHBondContact O-N 3.08Å; D99-R102 PolarHBondContact O-N 3.37Å; D99-H103 VanDerWaalsContact O-CB 3.3Å; D99-H103 WeakPolarHBondContact O-CB 3.37Å; D99-H103 PolarHBondContact O-N 3.42Å
100	F	98.2	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-53.1	178	171.7	-104.7	0	0	0	111.8	F32 N33 C36 I38 T55 K96 M97 V98 R102 H103 E104	F32-F100 HydrophobicContact CD1-CD2 4.13Å; F32-F100 VanDerWaalsContact CE1-CA 3.46Å; F32-F100 HydrophobicContact CE1-CB 4.03Å; F32-F100 AromaticContact CE1-CD2 3.99Å; F32-F100 HydrophobicContact CE1-CD2 3.99Å; F32-F100 HydrophobicContact CE2-CB 4.39Å; F32-F100 HydrophobicContact CZ-CB 3.75Å; F32-F100 HydrophobicContact CZ-CD2 4.44Å; F32-F100 VanDerWaalsContact CZ-N 3.35Å; N33-F100 WeakPolarHBondContact ND2-CG 3.46Å; C36-F100 HydrophobicContact CB-CD1 4.43Å; C36-F100 HydrophobicContact CB-CE1 3.62Å; C36-F100 HydrophobicContact CB-CE2 4.34Å; C36-F100 HydrophobicContact CB-CZ 3.57Å; I38-F100 HydrophobicContact CD1-CE2 3.88Å; I38-F100 HydrophobicContact CD1-CZ 4.05Å; I38-F100 HydrophobicContact CG1-CZ 4.35Å; T55-F100 HydrophobicContact CG2-CE1 4.07Å; T55-F100 HydrophobicContact CG2-CZ 4.33Å; T55-F100 WeakPolarHBondContact OG1-CE1 3.44Å; T55-F100 VanDerWaalsContact OG1-CZ 3.24Å; T55-F100 WeakPolarHBondContact OG1-CZ 3.44Å; K96-F100 WeakPolarHBondContact O-CB 3.45Å; K96-F100 PolarHBondContact O-N 2.92Å; M97-F100 WeakPolarHBondContact O-CB 3.44Å; M97-F100 PolarHBondContact O-N 3.25Å; M97-F100 HydrophobicContact SD-CD1 3.82Å; V98-F100 VanDerWaalsContact C-N 3.26Å; V98-F100 PolarHBondContact O-N 2.86Å; F100-R102 VanDerWaalsContact C-N 3.32Å; F100-R102 PolarHBondContact O-N 3.14Å; F100-H103 PolarHBondContact O-N 3.13Å; F100-E104 HydrophobicContact CD2-CG 4.06Å; F100-E104 HydrophobicContact CE2-CG 3.65Å; F100-E104 HydrophobicContact CZ-CG 4Å; F100-E104 WeakPolarHBondContact O-CG 3.49Å; F100-E104 PolarHBondContact O-N 3.13Å
101	L	98.3	Very high	96.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-43.5	177.8	-69.8	174.1	0	0	0	111.3	F5 V7 V57 V61 M97 V98 E104 A105 V128 C131 V132	F5-L101 HydrophobicContact CE1-CD2 4.45Å; F5-L101 HydrophobicContact CZ-CD2 4.36Å; V7-L101 HydrophobicContact CG1-CD2 4.21Å; V7-L101 HydrophobicContact CG2-CD2 4.31Å; V57-L101 HydrophobicContact CG1-CD1 3.9Å; V57-L101 HydrophobicContact CG1-CD2 4.07Å; V57-L101 HydrophobicContact CG1-CG 4.41Å; V61-L101 HydrophobicContact CG2-CD1 4.25Å; M97-L101 HydrophobicContact CG-CD1 4.28Å; M97-L101 HydrophobicContact CG-CG 4.48Å; M97-L101 WeakPolarHBondContact O-CG 3.29Å; M97-L101 PolarHBondContact O-N 3.02Å; M97-L101 HydrophobicContact SD-CG 4.46Å; V98-L101 PolarHBondContact O-N 3.07Å; L101-E104 PolarHBondContact O-N 2.96Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 2.88Å; L101-V128 HydrophobicContact CD1-CG2 4.26Å; L101-C131 HydrophobicContact CB-CB 4.22Å; L101-C131 HydrophobicContact CD1-CB 3.96Å; L101-V132 HydrophobicContact CB-CG1 3.76Å
102	R	98	Very high	96.6	Very high	98 Å²	98	50.8 Å²	50.8	37%	0.37	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-43.8	178.2	-77.8	175.9	176.7	157.7	-0.2	113	V98 D99 F100 K106 C131 V135	V98-R102 VanDerWaalsContact CG1-CZ 3.5Å; V98-R102 WeakPolarHBondContact O-CB 3.32Å; V98-R102 WeakPolarHBondContact O-CG 3.45Å; V98-R102 PolarHBondContact O-N 2.83Å; D99-R102 PolarHBondContact O-N 3.37Å; F100-R102 VanDerWaalsContact C-N 3.32Å; F100-R102 PolarHBondContact O-N 3.14Å; R102-K106 PolarHBondContact O-N 3.07Å; R102-C131 WeakPolarHBondContact CG-O 3.41Å; R102-C131 PolarHBondContact NE-O 2.83Å; R102-V135 HydrophobicContact CB-CG1 4.33Å; R102-V135 HydrophobicContact CB-CG2 4.4Å; R102-V135 HydrophobicContact CG-CG1 4.27Å; R102-V135 HydrophobicContact CG-CG2 4.41Å
103	H	97.5	Very high	96.8	Very high	110 Å²	110	47.2 Å²	47.2	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-47.5	177.2	177.3	-95.3	0	0	0	110.9	F32 D99 F100 K106	F32-H103 HydrophobicContact CE1-CB 3.83Å; D99-H103 VanDerWaalsContact O-CB 3.3Å; D99-H103 WeakPolarHBondContact O-CB 3.37Å; D99-H103 PolarHBondContact O-N 3.42Å; F100-H103 PolarHBondContact O-N 3.13Å; H103-K106 WeakPolarHBondContact O-CB 3.36Å
104	E	97.6	Very high	97.1	Very high	3 Å²	3	43 Å²	43	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-78.3	-29.7	-173.6	-62	-58.3	161.6	0	0	113.7	F5 R29 I38 K53 F100 L101 K106	F5-E104 HydrophobicContact CE2-CB 3.72Å; F5-E104 HydrophobicContact CZ-CB 3.95Å; R29-E104 IonicContact CZ-OE1 2.64Å; R29-E104 IonicContact CZ-OE2 2.64Å; R29-E104 IonicContact NH1-OE1 3.82Å; R29-E104 PolarHBondContact NH1-OE1 3.44Å; R29-E104 IonicContact NH1-OE2 3.13Å; R29-E104 IonicContact NH2-OE1 2.89Å; R29-E104 PolarHBondContact NH2-OE1 2.83Å; R29-E104 IonicContact NH2-OE2 2.66Å; R29-E104 PolarHBondContact NH2-OE2 3.43Å; I38-E104 HydrophobicContact CD1-CG 4.44Å; I38-E104 HydrophobicContact CG1-CG 4.12Å; K53-E104 WeakPolarHBondContact CE-O 3.44Å; K53-E104 WeakPolarHBondContact CE-OE2 3.35Å; K53-E104 PolarHBondContact NZ-O 3.32Å; K53-E104 IonicContact NZ-OE2 3.42Å; K53-E104 PolarHBondContact NZ-OE2 2.97Å; F100-E104 HydrophobicContact CD2-CG 4.06Å; F100-E104 HydrophobicContact CE2-CG 3.65Å; F100-E104 HydrophobicContact CZ-CG 4Å; F100-E104 WeakPolarHBondContact O-CG 3.49Å; F100-E104 PolarHBondContact O-N 3.13Å; L101-E104 PolarHBondContact O-N 2.96Å; E104-K106 VanDerWaalsContact C-N 3.33Å
105	A	97	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-81.9	-9.6	176.1	0	0	0	0	0	114	F5 L101 N107 A108 V132 V135	F5-A105 HydrophobicContact CD1-CB 3.51Å; F5-A105 HydrophobicContact CE1-CB 3.57Å; F5-A105 HydrophobicContact CG-CB 4.12Å; F5-A105 HydrophobicContact CZ-CB 4.18Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 2.88Å; A105-N107 PolarHBondContact O-N 3.1Å; A105-A108 VanDerWaalsContact O-CB 3.26Å; A105-A108 WeakPolarHBondContact O-CB 3.45Å; A105-A108 PolarHBondContact O-N 2.92Å; A105-V132 HydrophobicContact CB-CB 3.61Å; A105-V132 HydrophobicContact CB-CG1 3.57Å; A105-V135 HydrophobicContact CB-CG2 4.15Å
106	K	96.1	Very high	97.3	Very high	142 Å²	142	32.4 Å²	32.4	62%	0.617	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	127.2	-177.3	-171.2	176.6	-177.7	179.3	0	110.3	R102 H103 E104 A108	R102-K106 PolarHBondContact O-N 3.07Å; H103-K106 WeakPolarHBondContact O-CB 3.36Å; E104-K106 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 2.86Å
107	N	93	Very high	97.3	Very high	98 Å²	98	27.3 Å²	27.3	52%	0.524	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	15.3	-179.1	-55.8	-25.6	0	0	0	115.8	A105 V135 I137	A105-N107 PolarHBondContact O-N 3.1Å; N107-V135 PolarHBondContact N-O 3.25Å; N107-I137 HydrophobicContact CB-CD1 3.62Å; N107-I137 HydrophobicContact CB-CG1 4.3Å; N107-I137 WeakPolarHBondContact O-CD1 2.92Å
108	A	96.4	Very high	97.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	14%	0.135	C	C	.	.			trans	-72.4	140.5	167.5	0	0	0	0	0	110.5	T3 F5 A105 K106 M136 I137	T3-A108 HydrophobicContact CG2-CB 4.41Å; F5-A108 HydrophobicContact CB-CB 3.69Å; A105-A108 VanDerWaalsContact O-CB 3.26Å; A105-A108 WeakPolarHBondContact O-CB 3.45Å; A105-A108 PolarHBondContact O-N 2.92Å; K106-A108 PolarHBondContact O-N 2.86Å; A108-M136 HydrophobicContact CB-CE 4.45Å; A108-M136 WeakPolarHBondContact O-CA 3.49Å; A108-M136 WeakPolarHBondContact O-CB 3.34Å; A108-I137 PolarHBondContact O-N 3.09Å
109	G	95.4	Very high	97	Very high	5 Å²	5	29.1 Å²	29.1	5%	0.052	14%	0.138	C	C	.	.	S	Bend	trans	-94.9	-23.3	175	0	0	0	0	0	113	T3 K140 R141	T3-G109 PolarHBondContact O-N 2.82Å; T3-G109 VanDerWaalsContact O-N 3.08Å; G109-K140 VanDerWaalsContact O-CA 3.29Å; G109-K140 WeakPolarHBondContact O-CA 3.24Å; G109-R141 PolarHBondContact O-N 2.97Å; G109-R141 VanDerWaalsContact O-N 3.13Å
110	I	97.3	Very high	96.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.1	-177.4	-55.6	-179.9	0	0	0	108.7	T3 V4 F5 F45 I112 R141 L143	T3-I110 PolarHBondContact O-N 3.27Å; V4-I110 HydrophobicContact CB-CB 4.49Å; V4-I110 HydrophobicContact CG1-CB 4.27Å; V4-I110 HydrophobicContact CG1-CG2 4.11Å; V4-I110 HydrophobicContact CG2-CB 4.15Å; V4-I110 HydrophobicContact CG2-CD1 4.24Å; F5-I110 PolarHBondContact N-O 2.68Å; F45-I110 HydrophobicContact CD1-CD1 3.91Å; F45-I110 HydrophobicContact CE1-CD1 3.81Å; F45-I110 HydrophobicContact CE1-CG2 4.34Å; I110-I112 HydrophobicContact CG2-CG1 4.07Å; I110-R141 CarbonylContact C-O 3.58Å; I110-R141 WeakPolarHBondContact CA-O 3.13Å; I110-R141 HydrophobicContact CG1-CB 4.34Å; I110-R141 HydrophobicContact CG2-CB 4.44Å; I110-L143 HydrophobicContact CG2-CD1 4.22Å
111	L	98.3	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.7	170.1	172.2	64.7	0	0	0	108.6	F5 V7 L113 V128 I129 V132 M136 R141 I142 L143	F5-L111 HydrophobicContact CD1-CD1 3.84Å; F5-L111 CarbonylContact O-C 3.47Å; F5-L111 VanDerWaalsContact O-CA 3.29Å; F5-L111 WeakPolarHBondContact O-CA 3.48Å; V7-L111 HydrophobicContact CG2-CD1 4.09Å; L111-L113 HydrophobicContact CD1-CD2 4.23Å; L111-L113 HydrophobicContact CD2-CD2 4.04Å; L111-L113 HydrophobicContact CD2-CG 4.42Å; L111-L113 HydrophobicContact CG-CD2 4.12Å; L111-L113 HydrophobicContact CG-CG 4.25Å; L111-V128 HydrophobicContact CD1-CG1 4.49Å; L111-I129 HydrophobicContact CD2-CG1 4.02Å; L111-V132 HydrophobicContact CD2-CG2 3.74Å; L111-M136 HydrophobicContact CB-CE 3.65Å; L111-M136 HydrophobicContact CB-SD 4Å; L111-R141 PolarHBondContact N-O 2.73Å; L111-I142 HydrophobicContact CB-CG1 4.43Å; L111-I142 HydrophobicContact CD2-CG1 4.38Å; L111-I142 HydrophobicContact CD2-CG2 4.24Å; L111-I142 WeakPolarHBondContact O-CA 3.23Å; L111-L143 PolarHBondContact O-N 3.24Å
112	I	98.5	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123	170.8	-49.5	178.5	0	0	0	109.4	V4 F5 M6 V7 F45 I110 L143 A145 M159 L162	V4-I112 HydrophobicContact CG1-CD1 3.51Å; V4-I112 HydrophobicContact CG1-CG1 3.77Å; F5-I112 PolarHBondContact O-N 3.42Å; M6-I112 VanDerWaalsContact CA-O 3.26Å; M6-I112 WeakPolarHBondContact CA-O 3.33Å; M6-I112 HydrophobicContact CG-CB 4.03Å; M6-I112 HydrophobicContact CG-CG1 4.48Å; M6-I112 HydrophobicContact SD-CD1 4.3Å; V7-I112 PolarHBondContact N-O 2.76Å; V7-I112 VanDerWaalsContact N-O 3.14Å; F45-I112 HydrophobicContact CE2-CD1 3.94Å; F45-I112 HydrophobicContact CZ-CD1 3.89Å; I110-I112 HydrophobicContact CG2-CG1 4.07Å; I112-L143 CarbonylContact C-O 3.03Å; I112-L143 WeakPolarHBondContact CA-O 3.27Å; I112-L143 HydrophobicContact CG1-CB 4.35Å; I112-A145 HydrophobicContact CG2-CB 4.33Å; I112-M159 HydrophobicContact CD1-CE 3.77Å; I112-M159 HydrophobicContact CD1-SD 3.97Å; I112-L162 HydrophobicContact CD1-CD1 3.91Å; I112-L162 HydrophobicContact CG1-CD1 4.44Å; I112-L162 HydrophobicContact CG2-CD1 4.36Å; I112-L162 HydrophobicContact CG2-CD2 3.72Å
113	L	98.8	Very high	96.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.9	-175.9	-61.4	160.5	0	0	0	110	L111 L115 C125 V128 I129 I142 L143 R144 A145 P165	L111-L113 HydrophobicContact CD1-CD2 4.23Å; L111-L113 HydrophobicContact CD2-CD2 4.04Å; L111-L113 HydrophobicContact CD2-CG 4.42Å; L111-L113 HydrophobicContact CG-CD2 4.12Å; L111-L113 HydrophobicContact CG-CG 4.25Å; L113-L115 HydrophobicContact CB-CD1 3.92Å; L113-L115 HydrophobicContact CD2-CD1 3.83Å; L113-L115 HydrophobicContact CG-CD1 4.49Å; L113-C125 HydrophobicContact CD1-CB 3.86Å; L113-C125 HydrophobicContact CD2-CB 4.48Å; L113-V128 HydrophobicContact CD2-CB 4.18Å; L113-V128 HydrophobicContact CD2-CG1 3.94Å; L113-I129 HydrophobicContact CD1-CD1 3.88Å; L113-I129 HydrophobicContact CD1-CG1 4.1Å; L113-I142 HydrophobicContact CD1-CG2 3.93Å; L113-L143 PolarHBondContact N-O 3.17Å; L113-R144 PolarHBondContact O-NH1 3.38Å; L113-A145 PolarHBondContact O-N 2.64Å; L113-P165 HydrophobicContact CD1-CB 4.09Å; L113-P165 HydrophobicContact CD1-CG 4.26Å
114	W	98.7	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	30.1	-176.5	-74.7	93.8	0	0	0	111.9	V7 A8 I17 L21 M54 A145 F147 L155 A158 M159	V7-W114 CarbonylContact O-C 3.56Å; V7-W114 WeakPolarHBondContact O-CA 2.87Å; V7-W114 PolarHBondContact O-N 2.75Å; A8-W114 WeakPolarHBondContact CA-O 3.33Å; A8-W114 HydrophobicContact CB-CB 4.12Å; I17-W114 HydrophobicContact CD1-CB 3.95Å; I17-W114 HydrophobicContact CD1-CD2 4.18Å; I17-W114 HydrophobicContact CD1-CE3 3.78Å; I17-W114 HydrophobicContact CD1-CG 4.31Å; I17-W114 HydrophobicContact CG1-CE3 4.44Å; I17-W114 HydrophobicContact CG2-CD2 3.94Å; I17-W114 HydrophobicContact CG2-CE3 3.89Å; I17-W114 HydrophobicContact CG2-CH2 4.33Å; I17-W114 HydrophobicContact CG2-CZ2 4.39Å; I17-W114 HydrophobicContact CG2-CZ3 4.09Å; L21-W114 HydrophobicContact CD1-CH2 4.02Å; L21-W114 HydrophobicContact CD1-CZ2 3.6Å; M54-W114 HydrophobicContact CE-CB 4.5Å; M54-W114 HydrophobicContact CE-CD2 4.41Å; M54-W114 HydrophobicContact CE-CG 4Å; W114-A145 HydrophobicContact CD2-CB 3.55Å; W114-A145 HydrophobicContact CE3-CB 3.55Å; W114-A145 HydrophobicContact CG-CB 4.22Å; W114-A145 HydrophobicContact CH2-CB 3.82Å; W114-A145 HydrophobicContact CZ2-CB 3.81Å; W114-A145 HydrophobicContact CZ3-CB 3.68Å; W114-F147 AromaticContact CE3-CD1 3.88Å; W114-F147 HydrophobicContact CE3-CD1 3.88Å; W114-F147 AromaticContact CE3-CE1 3.74Å; W114-F147 HydrophobicContact CE3-CE1 3.74Å; W114-F147 HydrophobicContact CE3-CZ 4.38Å; W114-F147 HydrophobicContact CZ3-CD1 4.07Å; W114-F147 HydrophobicContact CZ3-CE1 4.39Å; W114-L155 HydrophobicContact CE3-CD2 4.23Å; W114-L155 WeakPolarHBondContact CH2-O 3.4Å; W114-L155 HydrophobicContact CZ3-CB 4.46Å; W114-L155 HydrophobicContact CZ3-CD2 3.63Å; W114-A158 HydrophobicContact CH2-CB 4.03Å; W114-A158 HydrophobicContact CZ3-CB 4.02Å; W114-M159 HydrophobicContact CH2-CB 4.24Å; W114-M159 HydrophobicContact CZ2-CB 4.22Å; W114-M159 HydrophobicContact CZ2-SD 3.87Å
115	L	98.4	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.			trans	-71.3	163.3	176.3	-64.1	97	0	0	0	110.6	V7 E9 V57 L113 I124 R144 F147	V7-L115 WeakPolarHBondContact O-CD1 3.34Å; E9-L115 HydrophobicContact CB-CB 4.37Å; E9-L115 HydrophobicContact CB-CD2 4.5Å; E9-L115 HydrophobicContact CB-CG 4.45Å; V57-L115 HydrophobicContact CG2-CD2 4.37Å; L113-L115 HydrophobicContact CB-CD1 3.92Å; L113-L115 HydrophobicContact CD2-CD1 3.83Å; L113-L115 HydrophobicContact CG-CD1 4.49Å; L115-I124 HydrophobicContact CD2-CB 3.37Å; L115-I124 HydrophobicContact CD2-CG2 3.16Å; L115-R144 VanDerWaalsContact O-CZ 3.29Å; L115-R144 PolarHBondContact O-NH1 2.82Å; L115-R144 PolarHBondContact O-NH2 3.49Å; L115-F147 WeakPolarHBondContact O-CE1 3.44Å
116	D	97	Very high	96.9	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	9%	0.092	C	C	.	.			trans	-61	149.4	178.3	-71.5	-25.6	0	0	0	109.9	E9 L13 D118 G121 R144 Y324 Y331	E9-D116 WeakPolarHBondContact OE2-CB 3.36Å; E9-D116 PolarHBondContact OE2-N 3Å; L13-D116 VanDerWaalsContact CD2-OD1 3.25Å; L13-D116 WeakPolarHBondContact CD2-OD1 3.17Å; D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.21Å; D116-G121 WeakPolarHBondContact O-CA 3.46Å; D116-R144 PolarHBondContact O-NH2 3.07Å; D116-Y324 VanDerWaalsContact OD1-CE1 3.24Å; D116-Y324 WeakPolarHBondContact OD1-CE1 3.22Å; D116-Y324 PolarHBondContact OD1-OH 2.9Å; D116-Y331 HydrophobicContact CB-CE2 3.61Å
117	C	96.3	Very high	97	Very high	11 Å²	11	12.2 Å²	12.2	7%	0.074	6%	0.063	C	C	.	.	S	Bend	trans	-92.8	38.9	-165.1	-72.8	0	0	0	0	113.4	F147 H382	C117-F147 PolarHBondContact SG-N 2.78Å; C117-F147 VanDerWaalsContact SG-N 3.37Å; C117-F147 PolarHBondContact SG-O 3.46Å; C117-H382 VanDerWaalsContact CB-CE1 3.49Å; C117-H382 WeakPolarHBondContact CB-CE1 3.49Å; C117-H382 PolarHBondContact O-NE2 3.09Å
118	D	94.6	Very high	97.3	Very high	26 Å²	26	7.6 Å²	7.6	14%	0.139	4%	0.038	C	C	.	.	S	Bend	trans	-106.7	178.4	169.1	68.8	-4	0	0	0	112.2	D116 E120 G121 E122 Y331	D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.21Å; D118-E120 VanDerWaalsContact C-N 3.28Å; D118-E120 PolarHBondContact O-N 3.43Å; D118-E120 PolarHBondContact OD1-N 3.48Å; D118-G121 PolarHBondContact O-N 3.3Å; D118-G121 PolarHBondContact OD1-N 3.49Å; D118-E122 PolarHBondContact O-N 3.47Å; D118-Y331 HydrophobicContact CB-CE1 3.95Å; D118-Y331 PolarHBondContact OD2-OH 2.75Å
119	K	94.3	Very high	97.4	Very high	33 Å²	33	8.2 Å²	8.2	14%	0.143	4%	0.041	C	C	.	.	H	α-helix	trans	-59.5	-37.8	178.6	-68.8	173.6	179.7	158.7	0	112.3	E122 N123 E169 V173 D509 N567	K119-E122 PolarHBondContact O-N 3.42Å; K119-N123 PolarHBondContact O-N 3.37Å; K119-E169 HydrophobicContact CG-CB 4.38Å; K119-E169 HydrophobicContact CG-CG 4.3Å; K119-V173 HydrophobicContact CB-CG2 3.8Å; K119-V173 WeakPolarHBondContact O-CG2 3.43Å; K119-D509 WeakPolarHBondContact CD-OD2 3.29Å; K119-D509 WeakPolarHBondContact CE-OD1 3.46Å; K119-D509 IonicContact NZ-OD1 2.66Å; K119-D509 PolarHBondContact NZ-OD1 2.91Å; K119-D509 IonicContact NZ-OD2 3.69Å; K119-D509 PolarHBondContact NZ-OD2 3Å; K119-N567 PolarHBondContact NZ-OD1 2.88Å
120	E	94.8	Very high	97.5	Very high	42 Å²	42	13 Å²	13	20%	0.196	7%	0.066	C	C	.	.	H	α-helix	trans	-65.8	-45.4	177.6	-61.1	-65.5	136.4	0	0	110.4	H60 D118 E122 N123 I124 V173 R176	H60-E120 IonicContact CE1-OE2 2.79Å; H60-E120 IonicContact NE2-OE2 2.61Å; H60-E120 PolarHBondContact NE2-OE2 2.84Å; D118-E120 VanDerWaalsContact C-N 3.28Å; D118-E120 PolarHBondContact O-N 3.43Å; D118-E120 PolarHBondContact OD1-N 3.48Å; E120-E122 VanDerWaalsContact C-N 3.35Å; E120-E122 PolarHBondContact O-N 2.88Å; E120-N123 WeakPolarHBondContact O-CA 3.45Å; E120-N123 VanDerWaalsContact O-CB 3.3Å; E120-N123 WeakPolarHBondContact O-CB 3.33Å; E120-N123 PolarHBondContact O-N 3.05Å; E120-I124 VanDerWaalsContact O-CG1 3.29Å; E120-I124 WeakPolarHBondContact O-CG1 3.12Å; E120-I124 PolarHBondContact O-N 3.04Å; E120-V173 WeakPolarHBondContact OE1-CG1 3.48Å; E120-R176 VanDerWaalsContact CD-NH2 3.32Å; E120-R176 IonicContact OE1-CZ 3.98Å; E120-R176 IonicContact OE1-NE 3.92Å; E120-R176 PolarHBondContact OE1-NE 2.86Å; E120-R176 IonicContact OE1-NH2 2.81Å; E120-R176 PolarHBondContact OE1-NH2 3Å; E120-R176 IonicContact OE2-NH2 3.09Å; E120-R176 PolarHBondContact OE2-NH2 3.11Å
121	G	96.7	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-38.6	175	0	0	0	0	0	113.2	D116 D118 N123 I124 C125	D116-G121 WeakPolarHBondContact O-CA 3.46Å; D118-G121 PolarHBondContact O-N 3.3Å; D118-G121 PolarHBondContact OD1-N 3.49Å; G121-N123 VanDerWaalsContact C-N 3.35Å; G121-I124 PolarHBondContact O-N 3.38Å; G121-C125 PolarHBondContact O-N 3.42Å; G121-C125 PolarHBondContact O-SG 3.22Å; G121-C125 VanDerWaalsContact O-SG 3.33Å
122	E	97.5	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.5	-34.2	170.1	-71.3	-66.4	154.5	0	0	112.3	D118 K119 E120 C125 F126 R144 R163 N166 E169	D118-E122 PolarHBondContact O-N 3.47Å; K119-E122 PolarHBondContact O-N 3.42Å; E120-E122 VanDerWaalsContact C-N 3.35Å; E120-E122 PolarHBondContact O-N 2.88Å; E122-C125 VanDerWaalsContact O-CB 3.26Å; E122-C125 WeakPolarHBondContact O-CB 3.43Å; E122-C125 PolarHBondContact O-N 3.1Å; E122-F126 VanDerWaalsContact O-CD2 3.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.5Å; E122-F126 PolarHBondContact O-N 3.38Å; E122-R144 IonicContact OE1-CZ 3.09Å; E122-R144 IonicContact OE1-NE 3.78Å; E122-R144 PolarHBondContact OE1-NE 3.18Å; E122-R144 IonicContact OE1-NH2 3.8Å; E122-R163 IonicContact OE1-NH2 3.17Å; E122-R163 PolarHBondContact OE1-NH2 3.05Å; E122-N166 PolarHBondContact OE2-N 3.19Å; E122-E169 HydrophobicContact CB-CB 4.19Å; E122-E169 WeakPolarHBondContact CG-OE2 3.48Å
123	N	98.2	Very high	97.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-47.1	171.4	-172.5	-89.7	0	0	0	111.7	H60 K119 E120 G121 C125 F126 E127 A170 V173 D174	H60-N123 PolarHBondContact CE1-OD1 2.86Å; K119-N123 PolarHBondContact O-N 3.37Å; E120-N123 WeakPolarHBondContact O-CA 3.45Å; E120-N123 VanDerWaalsContact O-CB 3.3Å; E120-N123 WeakPolarHBondContact O-CB 3.33Å; E120-N123 PolarHBondContact O-N 3.05Å; G121-N123 VanDerWaalsContact C-N 3.35Å; N123-C125 VanDerWaalsContact C-N 3.26Å; N123-C125 PolarHBondContact O-N 3.13Å; N123-F126 PolarHBondContact O-N 2.73Å; N123-E127 PolarHBondContact O-N 3.34Å; N123-E127 VanDerWaalsContact O-N 3.14Å; N123-E127 PolarHBondContact OD1-OE1 3.48Å; N123-A170 PolarHBondContact ND2-O 2.79Å; N123-V173 HydrophobicContact CB-CB 3.77Å; N123-V173 HydrophobicContact CB-CG1 3.73Å; N123-V173 HydrophobicContact CB-CG2 4.15Å; N123-D174 VanDerWaalsContact ND2-CG 3.33Å; N123-D174 PolarHBondContact ND2-OD1 2.96Å
124	I	98.4	Very high	97	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-31.6	178.9	-53.7	163.9	0	0	0	110.7	E9 V57 V61 L115 E120 G121 F126 E127 V128	E9-I124 HydrophobicContact CG-CD1 4.11Å; V57-I124 HydrophobicContact CG2-CG2 3.96Å; V61-I124 HydrophobicContact CG2-CG2 4.41Å; L115-I124 HydrophobicContact CD2-CB 3.37Å; L115-I124 HydrophobicContact CD2-CG2 3.16Å; E120-I124 VanDerWaalsContact O-CG1 3.29Å; E120-I124 WeakPolarHBondContact O-CG1 3.12Å; E120-I124 PolarHBondContact O-N 3.04Å; G121-I124 PolarHBondContact O-N 3.38Å; I124-F126 VanDerWaalsContact C-N 3.28Å; I124-F126 PolarHBondContact O-N 3.32Å; I124-E127 WeakPolarHBondContact O-CB 3.45Å; I124-E127 PolarHBondContact O-N 2.88Å; I124-E127 VanDerWaalsContact O-N 3.11Å; I124-V128 HydrophobicContact CG2-CG2 4.42Å; I124-V128 WeakPolarHBondContact O-CG2 3.49Å; I124-V128 PolarHBondContact O-N 2.88Å
125	C	98.7	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-50.4	-48.9	169.3	-78.6	0	0	0	0	111.2	L113 G121 E122 N123 V128 I129	L113-C125 HydrophobicContact CD1-CB 3.86Å; L113-C125 HydrophobicContact CD2-CB 4.48Å; G121-C125 PolarHBondContact O-N 3.42Å; G121-C125 PolarHBondContact O-SG 3.22Å; G121-C125 VanDerWaalsContact O-SG 3.33Å; E122-C125 VanDerWaalsContact O-CB 3.26Å; E122-C125 WeakPolarHBondContact O-CB 3.43Å; E122-C125 PolarHBondContact O-N 3.1Å; N123-C125 VanDerWaalsContact C-N 3.26Å; N123-C125 PolarHBondContact O-N 3.13Å; C125-V128 PolarHBondContact O-N 3.38Å; C125-I129 WeakPolarHBondContact O-CD1 3.31Å; C125-I129 WeakPolarHBondContact O-CG1 3.45Å; C125-I129 PolarHBondContact O-N 3.25Å
126	F	98.4	Very high	96.8	Very high	29 Å²	29	24 Å²	24	13%	0.127	13%	0.13	C	C	.	.	H	α-helix	trans	-73.1	-28.1	179.4	-74.7	-86.4	0	0	0	113.3	E122 N123 I124 I129 N130 P165 N166 K167 A170	E122-F126 VanDerWaalsContact O-CD2 3.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.5Å; E122-F126 PolarHBondContact O-N 3.38Å; N123-F126 PolarHBondContact O-N 2.73Å; I124-F126 VanDerWaalsContact C-N 3.28Å; I124-F126 PolarHBondContact O-N 3.32Å; F126-I129 HydrophobicContact CD1-CD1 4Å; F126-I129 HydrophobicContact CE1-CD1 4.15Å; F126-I129 HydrophobicContact CG-CD1 4.36Å; F126-N130 VanDerWaalsContact O-CB 3.31Å; F126-N130 WeakPolarHBondContact O-CB 3.43Å; F126-N130 PolarHBondContact O-N 3.4Å; F126-N130 PolarHBondContact O-ND2 2.91Å; F126-N130 VanDerWaalsContact O-ND2 3.13Å; F126-P165 HydrophobicContact CE2-CB 3.95Å; F126-P165 HydrophobicContact CZ-CB 3.98Å; F126-P165 HydrophobicContact CZ-CG 4.06Å; F126-N166 WeakPolarHBondContact CE2-O 3.33Å; F126-K167 HydrophobicContact CD1-CD 3.65Å; F126-K167 HydrophobicContact CD2-CD 4.32Å; F126-K167 HydrophobicContact CE1-CB 4.08Å; F126-K167 HydrophobicContact CE1-CD 3.43Å; F126-K167 VanDerWaalsContact CE1-CD 3.43Å; F126-K167 HydrophobicContact CE1-CG 4.28Å; F126-K167 HydrophobicContact CE2-CB 4.21Å; F126-K167 HydrophobicContact CE2-CD 4.15Å; F126-K167 HydrophobicContact CG-CD 4.1Å; F126-K167 VanDerWaalsContact CZ-CA 3.44Å; F126-K167 HydrophobicContact CZ-CB 3.61Å; F126-K167 HydrophobicContact CZ-CD 3.7Å; F126-K167 HydrophobicContact CZ-CG 4.25Å; F126-A170 HydrophobicContact CB-CB 4.48Å; F126-A170 HydrophobicContact CD2-CB 3.33Å; F126-A170 HydrophobicContact CE2-CB 3.83Å; F126-A170 HydrophobicContact CG-CB 4.12Å
127	E	98.3	Very high	96.6	Very high	3 Å²	3	28 Å²	28	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-47.3	168.5	-61.2	-178.2	163.8	0	0	111.3	H60 V61 M62 N123 I124 N130 C131	H60-E127 IonicContact CE1-OE1 2.61Å; H60-E127 IonicContact ND1-OE1 3.24Å; H60-E127 PolarHBondContact ND1-OE1 3.24Å; H60-E127 IonicContact ND1-OE2 2.75Å; V61-E127 WeakPolarHBondContact CA-OE2 3.1Å; V61-E127 HydrophobicContact CB-CB 4.19Å; V61-E127 WeakPolarHBondContact CB-OE2 3.38Å; V61-E127 HydrophobicContact CG2-CB 4.46Å; V61-E127 PolarHBondContact N-OE2 2.88Å; M62-E127 HydrophobicContact CB-CG 4.37Å; M62-E127 HydrophobicContact CG-CB 4.4Å; M62-E127 HydrophobicContact CG-CG 4.21Å; M62-E127 PolarHBondContact N-OE2 3.2Å; M62-E127 VanDerWaalsContact N-OE2 3.12Å; N123-E127 PolarHBondContact O-N 3.34Å; N123-E127 VanDerWaalsContact O-N 3.14Å; N123-E127 PolarHBondContact OD1-OE1 3.48Å; I124-E127 WeakPolarHBondContact O-CB 3.45Å; I124-E127 PolarHBondContact O-N 2.88Å; I124-E127 VanDerWaalsContact O-N 3.11Å; E127-N130 PolarHBondContact O-N 3.19Å; E127-C131 PolarHBondContact O-N 2.84Å; E127-C131 PolarHBondContact O-SG 3.44Å
128	V	98.5	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-48.4	176.9	172.5	0	0	0	0	110.5	V7 V57 V61 L101 L111 L113 I124 C125 N130 C131 V132	V7-V128 HydrophobicContact CB-CG1 4.08Å; V7-V128 HydrophobicContact CG1-CG1 4.09Å; V7-V128 HydrophobicContact CG1-CG2 3.97Å; V7-V128 HydrophobicContact CG2-CG1 3.91Å; V57-V128 HydrophobicContact CG1-CG2 3.86Å; V61-V128 HydrophobicContact CG2-CG2 4.46Å; L101-V128 HydrophobicContact CD1-CG2 4.26Å; L111-V128 HydrophobicContact CD1-CG1 4.49Å; L113-V128 HydrophobicContact CD2-CB 4.18Å; L113-V128 HydrophobicContact CD2-CG1 3.94Å; I124-V128 HydrophobicContact CG2-CG2 4.42Å; I124-V128 WeakPolarHBondContact O-CG2 3.49Å; I124-V128 PolarHBondContact O-N 2.88Å; C125-V128 PolarHBondContact O-N 3.38Å; V128-N130 VanDerWaalsContact C-N 3.32Å; V128-N130 PolarHBondContact O-N 3.15Å; V128-C131 WeakPolarHBondContact O-CB 3.31Å; V128-C131 PolarHBondContact O-N 3.47Å; V128-C131 VanDerWaalsContact O-N 3.08Å; V128-V132 WeakPolarHBondContact O-CG2 3.39Å; V128-V132 PolarHBondContact O-N 2.86Å; V128-V132 VanDerWaalsContact O-N 3.08Å
129	I	98.1	Very high	95.3	Very high	15 Å²	15	38.1 Å²	38.1	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-53.8	-50.4	176.1	-69	163	0	0	0	110.1	L111 L113 C125 F126 C131 V132 H133 I142 P165	L111-I129 HydrophobicContact CD2-CG1 4.02Å; L113-I129 HydrophobicContact CD1-CD1 3.88Å; L113-I129 HydrophobicContact CD1-CG1 4.1Å; C125-I129 WeakPolarHBondContact O-CD1 3.31Å; C125-I129 WeakPolarHBondContact O-CG1 3.45Å; C125-I129 PolarHBondContact O-N 3.25Å; F126-I129 HydrophobicContact CD1-CD1 4Å; F126-I129 HydrophobicContact CE1-CD1 4.15Å; F126-I129 HydrophobicContact CG-CD1 4.36Å; I129-C131 PolarHBondContact O-N 3.33Å; I129-V132 PolarHBondContact O-N 2.87Å; I129-H133 HydrophobicContact CG2-CB 4.46Å; I129-H133 WeakPolarHBondContact O-CB 3.31Å; I129-H133 PolarHBondContact O-N 3Å; I129-I142 HydrophobicContact CD1-CG2 3.81Å; I129-I142 HydrophobicContact CG1-CD1 4.29Å; I129-I142 HydrophobicContact CG1-CG2 3.95Å; I129-I142 HydrophobicContact CG2-CD1 3.86Å; I129-P165 HydrophobicContact CD1-CB 4.44Å; I129-P165 HydrophobicContact CD1-CG 3.93Å
130	N	96.8	Very high	95	Very high	105 Å²	105	38.1 Å²	38.1	56%	0.561	21%	0.206	S	C	*	.	H	α-helix	trans	-61.4	-31.3	-179.8	-73.2	-22.4	0	0	0	112.9	F126 E127 V128	F126-N130 VanDerWaalsContact O-CB 3.31Å; F126-N130 WeakPolarHBondContact O-CB 3.43Å; F126-N130 PolarHBondContact O-N 3.4Å; F126-N130 PolarHBondContact O-ND2 2.91Å; F126-N130 VanDerWaalsContact O-ND2 3.13Å; E127-N130 PolarHBondContact O-N 3.19Å; V128-N130 VanDerWaalsContact C-N 3.32Å; V128-N130 PolarHBondContact O-N 3.15Å
131	C	96.9	Very high	95	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-44.7	176.2	-66.7	0	0	0	0	112.2	V98 L101 R102 E127 V128 I129	V98-C131 HydrophobicContact CG1-CB 4.42Å; L101-C131 HydrophobicContact CB-CB 4.22Å; L101-C131 HydrophobicContact CD1-CB 3.96Å; R102-C131 WeakPolarHBondContact CG-O 3.41Å; R102-C131 PolarHBondContact NE-O 2.83Å; E127-C131 PolarHBondContact O-N 2.84Å; E127-C131 PolarHBondContact O-SG 3.44Å; V128-C131 WeakPolarHBondContact O-CB 3.31Å; V128-C131 PolarHBondContact O-N 3.47Å; V128-C131 VanDerWaalsContact O-N 3.08Å; I129-C131 PolarHBondContact O-N 3.33Å
132	V	97.1	Very high	95	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-100.6	-20.7	-166.1	-54.5	0	0	0	0	114.7	F5 L101 A105 L111 V128 I129 S134 V135 M136	F5-V132 HydrophobicContact CE1-CG1 4.19Å; L101-V132 HydrophobicContact CB-CG1 3.76Å; A105-V132 HydrophobicContact CB-CB 3.61Å; A105-V132 HydrophobicContact CB-CG1 3.57Å; L111-V132 HydrophobicContact CD2-CG2 3.74Å; V128-V132 WeakPolarHBondContact O-CG2 3.39Å; V128-V132 PolarHBondContact O-N 2.86Å; V128-V132 VanDerWaalsContact O-N 3.08Å; I129-V132 PolarHBondContact O-N 2.87Å; V132-S134 PolarHBondContact O-N 3.09Å; V132-V135 HydrophobicContact CB-CG2 4.46Å; V132-V135 WeakPolarHBondContact O-CG2 3.45Å; V132-V135 PolarHBondContact O-N 3.41Å; V132-M136 HydrophobicContact CG2-SD 3.96Å; V132-M136 WeakPolarHBondContact O-CG 3.46Å; V132-M136 PolarHBondContact O-N 2.75Å
133	H	94.8	Very high	95	Very high	88 Å²	88	44.6 Å²	44.6	41%	0.407	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-52.5	-38.5	-171.4	176.3	-89.7	0	0	0	113.4	I129 V135 K140	I129-H133 HydrophobicContact CG2-CB 4.46Å; I129-H133 WeakPolarHBondContact O-CB 3.31Å; I129-H133 PolarHBondContact O-N 3Å; H133-V135 PolarHBondContact O-N 3.23Å; H133-K140 WeakPolarHBondContact CD2-CE 3.46Å; H133-K140 PolarHBondContact CD2-NZ 3.28Å; H133-K140 VanDerWaalsContact CD2-NZ 3.32Å; H133-K140 PolarHBondContact CE1-NZ 3.33Å; H133-K140 PolarHBondContact ND1-NZ 3.08Å; H133-K140 WeakPolarHBondContact NE2-CE 3.38Å; H133-K140 PolarHBondContact NE2-NZ 3.18Å; H133-K140 PolarHBondContact O-NZ 3.06Å
134	S	94.8	Very high	95	Very high	89 Å²	89	44.6 Å²	44.6	62%	0.622	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-77.5	-14.1	-177.5	63.8	0	0	0	0	115	V132	V132-S134 PolarHBondContact O-N 3.09Å
135	V	96.1	Very high	95	Very high	40 Å²	40	44.5 Å²	44.5	24%	0.242	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-107.7	-3.1	-177.6	-60.7	0	0	0	0	113.5	R102 A105 N107 V132 H133	R102-V135 HydrophobicContact CB-CG1 4.33Å; R102-V135 HydrophobicContact CB-CG2 4.4Å; R102-V135 HydrophobicContact CG-CG1 4.27Å; R102-V135 HydrophobicContact CG-CG2 4.41Å; A105-V135 HydrophobicContact CB-CG2 4.15Å; N107-V135 PolarHBondContact N-O 3.25Å; V132-V135 HydrophobicContact CB-CG2 4.46Å; V132-V135 WeakPolarHBondContact O-CG2 3.45Å; V132-V135 PolarHBondContact O-N 3.41Å; H133-V135 PolarHBondContact O-N 3.23Å
136	M	96.2	Very high	94.9	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.059	25%	0.246	C	C	.	.	S	Bend	trans	-82.5	154	175.1	-69.8	-179.5	75.2	0	0	111.9	A108 L111 V132 K140	A108-M136 HydrophobicContact CB-CE 4.45Å; A108-M136 WeakPolarHBondContact O-CA 3.49Å; A108-M136 WeakPolarHBondContact O-CB 3.34Å; L111-M136 HydrophobicContact CB-CE 3.65Å; L111-M136 HydrophobicContact CB-SD 4Å; V132-M136 HydrophobicContact CG2-SD 3.96Å; V132-M136 WeakPolarHBondContact O-CG 3.46Å; V132-M136 PolarHBondContact O-N 2.75Å; M136-K140 HydrophobicContact CB-CB 4.31Å; M136-K140 HydrophobicContact CB-CD 3.92Å; M136-K140 HydrophobicContact CE-CB 4.1Å
137	I	92.6	Very high	94.8	Very high	86 Å²	86	46.2 Å²	46.2	44%	0.441	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-83.8	138.6	178.6	-74	166.3	0	0	0	110.8	N107 A108 P139 K140	N107-I137 HydrophobicContact CB-CD1 3.62Å; N107-I137 HydrophobicContact CB-CG1 4.3Å; N107-I137 WeakPolarHBondContact O-CD1 2.92Å; A108-I137 PolarHBondContact O-N 3.09Å; I137-P139 CarbonylContact O-C 3.55Å; I137-K140 WeakPolarHBondContact O-CB 3.32Å; I137-K140 PolarHBondContact O-N 3.31Å
138	H	84.9	Confident	94.7	Very high	134 Å²	134	46.6 Å²	46.6	62%	0.62	24%	0.243	S	C	*	.	S	Bend	trans	-86.3	144.7	173	-81.9	-71.8	0	0	0	112.8	K140	H138-K140 WeakPolarHBondContact CE1-CE 3.42Å; H138-K140 PolarHBondContact CE1-NZ 2.96Å; H138-K140 PolarHBondContact NE2-NZ 3.39Å
139	P	79.6	Confident	94.5	Very high	115 Å²	115	46.7 Å²	46.7	75%	0.747	24%	0.244	S	C	*	.	S	Bend	cis	-73	131.1	-6	30.7	-33.3	0	0	0	111	I137	I137-P139 CarbonylContact O-C 3.55Å
140	K	87.6	Confident	94.3	Very high	34 Å²	34	46.8 Å²	46.8	15%	0.148	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-99.9	145.6	178.6	63.7	-158.2	174.3	-156.4	0	111.1	G109 H133 M136 I137 H138	G109-K140 VanDerWaalsContact O-CA 3.29Å; G109-K140 WeakPolarHBondContact O-CA 3.24Å; H133-K140 WeakPolarHBondContact CD2-CE 3.46Å; H133-K140 PolarHBondContact CD2-NZ 3.28Å; H133-K140 VanDerWaalsContact CD2-NZ 3.32Å; H133-K140 PolarHBondContact CE1-NZ 3.33Å; H133-K140 PolarHBondContact ND1-NZ 3.08Å; H133-K140 WeakPolarHBondContact NE2-CE 3.38Å; H133-K140 PolarHBondContact NE2-NZ 3.18Å; H133-K140 PolarHBondContact O-NZ 3.06Å; M136-K140 HydrophobicContact CB-CB 4.31Å; M136-K140 HydrophobicContact CB-CD 3.92Å; M136-K140 HydrophobicContact CE-CB 4.1Å; I137-K140 WeakPolarHBondContact O-CB 3.32Å; I137-K140 PolarHBondContact O-N 3.31Å; H138-K140 WeakPolarHBondContact CE1-CE 3.42Å; H138-K140 PolarHBondContact CE1-NZ 2.96Å; H138-K140 PolarHBondContact NE2-NZ 3.39Å
141	R	94.2	Very high	94.1	Very high	114 Å²	114	43.3 Å²	43.3	43%	0.43	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.7	177	-62.5	174.7	66.1	-174.5	0.6	109.4	M46 G109 I110 L111	M46-R141 VanDerWaalsContact CE-NH2 3.26Å; M46-R141 PolarHBondContact SD-NH1 3.37Å; M46-R141 PolarHBondContact SD-NH2 3.21Å; G109-R141 PolarHBondContact O-N 2.97Å; G109-R141 VanDerWaalsContact O-N 3.13Å; I110-R141 CarbonylContact C-O 3.58Å; I110-R141 WeakPolarHBondContact CA-O 3.13Å; I110-R141 HydrophobicContact CG1-CB 4.34Å; I110-R141 HydrophobicContact CG2-CB 4.44Å; L111-R141 PolarHBondContact N-O 2.73Å
142	I	97.3	Very high	93.8	Very high	43 Å²	43	48.1 Å²	48.1	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.2	177.6	-60.9	170.8	0	0	0	106.7	L111 L113 I129 P165	L111-I142 HydrophobicContact CB-CG1 4.43Å; L111-I142 HydrophobicContact CD2-CG1 4.38Å; L111-I142 HydrophobicContact CD2-CG2 4.24Å; L111-I142 WeakPolarHBondContact O-CA 3.23Å; L113-I142 HydrophobicContact CD1-CG2 3.93Å; I129-I142 HydrophobicContact CD1-CG2 3.81Å; I129-I142 HydrophobicContact CG1-CD1 4.29Å; I129-I142 HydrophobicContact CG1-CG2 3.95Å; I129-I142 HydrophobicContact CG2-CD1 3.86Å; I142-P165 HydrophobicContact CG2-CG 4.12Å
143	L	98.1	Very high	93.6	Very high	21 Å²	21	55.8 Å²	55.8	11%	0.11	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.9	-175.3	-62.4	172.1	0	0	0	109.2	F45 M46 I110 L111 I112 L113 L162 R163	F45-L143 HydrophobicContact CE1-CD1 4.3Å; F45-L143 HydrophobicContact CZ-CD1 3.9Å; M46-L143 HydrophobicContact CE-CD1 4.19Å; I110-L143 HydrophobicContact CG2-CD1 4.22Å; L111-L143 PolarHBondContact O-N 3.24Å; I112-L143 CarbonylContact C-O 3.03Å; I112-L143 WeakPolarHBondContact CA-O 3.27Å; I112-L143 HydrophobicContact CG1-CB 4.35Å; L113-L143 PolarHBondContact N-O 3.17Å; L143-L162 HydrophobicContact CB-CB 4.23Å; L143-L162 HydrophobicContact CB-CD1 4.21Å; L143-L162 HydrophobicContact CD1-CD1 3.76Å; L143-R163 CarbonylContact C-O 3.5Å; L143-R163 WeakPolarHBondContact CA-O 3.43Å
144	R	98.3	Very high	93.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.1	-178.4	174.5	57.4	172.1	146.1	-12	109.1	L113 L115 D116 E122 R163 P165	L113-R144 PolarHBondContact O-NH1 3.38Å; L115-R144 VanDerWaalsContact O-CZ 3.29Å; L115-R144 PolarHBondContact O-NH1 2.82Å; L115-R144 PolarHBondContact O-NH2 3.49Å; D116-R144 PolarHBondContact O-NH2 3.07Å; E122-R144 IonicContact OE1-CZ 3.09Å; E122-R144 IonicContact OE1-NE 3.78Å; E122-R144 PolarHBondContact OE1-NE 3.18Å; E122-R144 IonicContact OE1-NH2 3.8Å; R144-R163 HydrophobicContact CB-CG 4.01Å; R144-R163 HydrophobicContact CG-CG 4.12Å; R144-R163 PolarHBondContact N-O 3.42Å; R144-R163 PolarHBondContact O-N 3.27Å; R144-P165 HydrophobicContact CB-CB 4.32Å
145	A	98.4	Very high	93.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.			trans	-81.1	132.9	168.8	0	0	0	0	0	109.1	I112 L113 W114 F147 A158 L162	I112-A145 HydrophobicContact CG2-CB 4.33Å; L113-A145 PolarHBondContact O-N 2.64Å; W114-A145 HydrophobicContact CD2-CB 3.55Å; W114-A145 HydrophobicContact CE3-CB 3.55Å; W114-A145 HydrophobicContact CG-CB 4.22Å; W114-A145 HydrophobicContact CH2-CB 3.82Å; W114-A145 HydrophobicContact CZ2-CB 3.81Å; W114-A145 HydrophobicContact CZ3-CB 3.68Å; A145-F147 HydrophobicContact CB-CD1 4.47Å; A145-A158 HydrophobicContact CB-CB 4.32Å; A145-L162 HydrophobicContact CB-CD2 3.81Å
146	H	96.6	Very high	93.6	Very high	65 Å²	65	51.4 Å²	51.4	30%	0.301	26%	0.256	S	S	.	.			trans	-114.1	122.2	176.3	-172.3	-101.9	0	0	0	109.8	A158 R163	H146-A158 WeakPolarHBondContact O-CB 3.46Å; H146-R163 PolarHBondContact CD2-NH1 2.99Å; H146-R163 PolarHBondContact CD2-NH2 3.35Å; H146-R163 PolarHBondContact NE2-NH1 2.63Å
147	F	95.9	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.			trans	-151.6	147.1	-175.1	59	-78.2	0	0	0	110	L13 I17 W114 L115 C117 A145 E154 L155 A158 Y324	L13-F147 HydrophobicContact CD1-CE2 4.43Å; L13-F147 HydrophobicContact CD2-CZ 4.39Å; I17-F147 HydrophobicContact CD1-CZ 4.34Å; W114-F147 AromaticContact CE3-CD1 3.88Å; W114-F147 HydrophobicContact CE3-CD1 3.88Å; W114-F147 AromaticContact CE3-CE1 3.74Å; W114-F147 HydrophobicContact CE3-CE1 3.74Å; W114-F147 HydrophobicContact CE3-CZ 4.38Å; W114-F147 HydrophobicContact CZ3-CD1 4.07Å; W114-F147 HydrophobicContact CZ3-CE1 4.39Å; L115-F147 WeakPolarHBondContact O-CE1 3.44Å; C117-F147 PolarHBondContact SG-N 2.78Å; C117-F147 VanDerWaalsContact SG-N 3.37Å; C117-F147 PolarHBondContact SG-O 3.46Å; A145-F147 HydrophobicContact CB-CD1 4.47Å; F147-E154 HydrophobicContact CB-CG 3.8Å; F147-L155 HydrophobicContact CD2-CD2 4.12Å; F147-L155 HydrophobicContact CG-CD2 4.3Å; F147-A158 HydrophobicContact CB-CB 4.08Å; F147-Y324 WeakPolarHBondContact CE2-OH 3.39Å
148	S	95.3	Very high	93.8	Very high	11 Å²	11	48.3 Å²	48.3	8%	0.077	25%	0.248	C	C	.	.	S	Bend	trans	-108.7	-7.5	177	-57.4	0	0	0	0	113.3	E154 N330 Y331 H382 P383	S148-E154 PolarHBondContact N-OE1 2.76Å; S148-N330 CarbonylContact O-C 3.59Å; S148-N330 WeakPolarHBondContact O-CA 3.23Å; S148-N330 VanDerWaalsContact O-CB 3.29Å; S148-N330 WeakPolarHBondContact O-CB 3.26Å; S148-Y331 WeakPolarHBondContact O-CB 3.41Å; S148-Y331 PolarHBondContact O-N 2.91Å; S148-H382 PolarHBondContact OG-ND1 2.69Å; S148-P383 WeakPolarHBondContact OG-CD 3.34Å
149	A	94.8	Very high	94.4	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	23%	0.226	C	C	.	.	S	Bend	trans	-150.1	151.9	-179.1	0	0	0	0	0	111.8	T151 E154 N330 M388	A149-T151 VanDerWaalsContact C-N 3.3Å; A149-T151 HydrophobicContact CB-CG2 4.12Å; A149-T151 PolarHBondContact O-N 2.64Å; A149-E154 HydrophobicContact CB-CG 4.4Å; A149-E154 WeakPolarHBondContact O-CB 3.26Å; A149-E154 WeakPolarHBondContact O-CG 3.48Å; A149-N330 HydrophobicContact CB-CB 4.07Å; A149-M388 HydrophobicContact CB-CE 3.84Å; A149-M388 HydrophobicContact CB-CG 4.08Å; A149-M388 HydrophobicContact CB-SD 4.3Å
150	V	94.1	Very high	95.1	Very high	16 Å²	16	46.2 Å²	46.2	10%	0.097	23%	0.226	C	C	.	.			trans	-92	64.2	176.9	-165.9	0	0	0	0	109.6	L13 L155 Y324	L13-V150 HydrophobicContact CD1-CG1 4.16Å; L13-V150 HydrophobicContact CD1-CG2 3.48Å; L13-V150 VanDerWaalsContact CD1-CG2 3.48Å; V150-L155 HydrophobicContact CG1-CD1 4.12Å; V150-Y324 HydrophobicContact CG2-CD2 4.23Å; V150-Y324 HydrophobicContact CG2-CE2 3.72Å; V150-Y324 WeakPolarHBondContact CG2-O 3.04Å
151	T	91.9	Very high	95.5	Very high	33 Å²	33	50.6 Å²	50.6	20%	0.202	25%	0.251	C	S	.	.	S	Bend	trans	-120.9	155.4	177.8	69.4	0	0	0	0	111.1	A149 Q153 E154 L155 M388	A149-T151 VanDerWaalsContact C-N 3.3Å; A149-T151 HydrophobicContact CB-CG2 4.12Å; A149-T151 PolarHBondContact O-N 2.64Å; T151-Q153 VanDerWaalsContact C-N 3.3Å; T151-Q153 PolarHBondContact O-N 3.06Å; T151-E154 PolarHBondContact O-N 3.35Å; T151-E154 WeakPolarHBondContact OG1-CB 3.24Å; T151-E154 PolarHBondContact OG1-N 2.52Å; T151-L155 WeakPolarHBondContact O-CB 3.4Å; T151-L155 WeakPolarHBondContact O-CG 3.27Å; T151-L155 PolarHBondContact O-N 2.62Å; T151-M388 HydrophobicContact CG2-CB 3.95Å; T151-M388 HydrophobicContact CG2-CE 3.91Å; T151-M388 HydrophobicContact CG2-CG 4.47Å
152	D	92.3	Very high	95.7	Very high	106 Å²	106	46.8 Å²	46.8	57%	0.567	24%	0.239	S	C	*	.	H	α-helix	trans	-57.5	-43.4	-178.4	-71.6	-29.5	0	0	0	112.3	S20 H156	S20-D152 WeakPolarHBondContact CB-OD1 3.48Å; S20-D152 WeakPolarHBondContact OG-CA 3.22Å; S20-D152 PolarHBondContact OG-OD1 3.16Å; D152-H156 WeakPolarHBondContact O-CB 3.26Å; D152-H156 PolarHBondContact O-N 2.83Å; D152-H156 PolarHBondContact O-ND1 3.22Å
153	Q	91.5	Very high	95.7	Very high	161 Å²	161	49 Å²	49	75%	0.752	25%	0.245	S	C	*	.	H	α-helix	trans	-61.5	-49.1	178.3	179.8	177.6	-14.7	0	0	112	T151 G157	T151-Q153 VanDerWaalsContact C-N 3.3Å; T151-Q153 PolarHBondContact O-N 3.06Å; Q153-G157 PolarHBondContact O-N 2.88Å
154	E	93.5	Very high	95.6	Very high	66 Å²	66	55.7 Å²	55.7	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-45.3	-176.7	-172	74.8	172.9	0	0	111.1	F147 S148 A149 T151 G157 A158	F147-E154 HydrophobicContact CB-CG 3.8Å; S148-E154 PolarHBondContact N-OE1 2.76Å; A149-E154 HydrophobicContact CB-CG 4.4Å; A149-E154 WeakPolarHBondContact O-CB 3.26Å; A149-E154 WeakPolarHBondContact O-CG 3.48Å; T151-E154 PolarHBondContact O-N 3.35Å; T151-E154 WeakPolarHBondContact OG1-CB 3.24Å; T151-E154 PolarHBondContact OG1-N 2.52Å; E154-G157 PolarHBondContact O-N 2.76Å; E154-A158 WeakPolarHBondContact O-CB 3.42Å; E154-A158 PolarHBondContact O-N 3.17Å
155	L	96.6	Very high	95.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-42.4	-178.2	-63.8	175.5	0	0	0	112	I17 L21 W114 F147 V150 T151 G157 A158 M159	I17-L155 HydrophobicContact CB-CD1 4.41Å; I17-L155 HydrophobicContact CD1-CD2 4.42Å; I17-L155 HydrophobicContact CG1-CD1 4.07Å; I17-L155 HydrophobicContact CG1-CD2 3.87Å; I17-L155 HydrophobicContact CG2-CD2 4.45Å; L21-L155 HydrophobicContact CD2-CB 4.38Å; W114-L155 HydrophobicContact CE3-CD2 4.23Å; W114-L155 WeakPolarHBondContact CH2-O 3.4Å; W114-L155 HydrophobicContact CZ3-CB 4.46Å; W114-L155 HydrophobicContact CZ3-CD2 3.63Å; F147-L155 HydrophobicContact CD2-CD2 4.12Å; F147-L155 HydrophobicContact CG-CD2 4.3Å; V150-L155 HydrophobicContact CG1-CD1 4.12Å; T151-L155 WeakPolarHBondContact O-CB 3.4Å; T151-L155 WeakPolarHBondContact O-CG 3.27Å; T151-L155 PolarHBondContact O-N 2.62Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-G157 PolarHBondContact O-N 3.23Å; L155-A158 PolarHBondContact O-N 2.71Å; L155-M159 WeakPolarHBondContact O-CB 3.24Å; L155-M159 PolarHBondContact O-N 2.97Å
156	H	96.1	Very high	95.6	Very high	58 Å²	58	58.9 Å²	58.9	27%	0.269	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-33.5	174.4	-72	82.9	0	0	0	111.9	S20 D152 K160	S20-H156 PolarHBondContact O-CE1 2.82Å; D152-H156 WeakPolarHBondContact O-CB 3.26Å; D152-H156 PolarHBondContact O-N 2.83Å; D152-H156 PolarHBondContact O-ND1 3.22Å; H156-K160 WeakPolarHBondContact O-CG 2.96Å; H156-K160 PolarHBondContact O-N 2.93Å
157	G	95.5	Very high	95.6	Very high	27 Å²	27	59.8 Å²	59.8	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-47.4	172.1	0	0	0	0	0	112.4	Q153 E154 L155 M159 K160 N161	Q153-G157 PolarHBondContact O-N 2.88Å; E154-G157 PolarHBondContact O-N 2.76Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-G157 PolarHBondContact O-N 3.23Å; G157-M159 VanDerWaalsContact C-N 3.33Å; G157-M159 PolarHBondContact O-N 3.45Å; G157-K160 PolarHBondContact O-N 3.45Å; G157-N161 PolarHBondContact O-N 3.26Å; G157-N161 VanDerWaalsContact O-N 3.13Å; G157-N161 PolarHBondContact O-ND2 2.8Å
158	A	97	Very high	95.7	Very high	6 Å²	6	64 Å²	64	5%	0.05	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-40.7	177.2	0	0	0	0	0	112	W114 A145 H146 F147 E154 L155 K160 N161 L162	W114-A158 HydrophobicContact CH2-CB 4.03Å; W114-A158 HydrophobicContact CZ3-CB 4.02Å; A145-A158 HydrophobicContact CB-CB 4.32Å; H146-A158 WeakPolarHBondContact O-CB 3.46Å; F147-A158 HydrophobicContact CB-CB 4.08Å; E154-A158 WeakPolarHBondContact O-CB 3.42Å; E154-A158 PolarHBondContact O-N 3.17Å; L155-A158 PolarHBondContact O-N 2.71Å; A158-K160 VanDerWaalsContact C-N 3.25Å; A158-K160 PolarHBondContact O-N 2.73Å; A158-N161 CarbonylContact O-C 3.57Å; A158-N161 PolarHBondContact O-N 3.47Å; A158-L162 WeakPolarHBondContact O-CD2 3.37Å; A158-L162 PolarHBondContact O-N 3.09Å
159	M	97.2	Very high	95.8	Very high	31 Å²	31	65.7 Å²	65.7	15%	0.153	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-28.2	177.8	-170.5	58.9	174	0	0	113.1	L21 F45 F52 I112 W114 L155 G157 L162	L21-M159 HydrophobicContact CD2-CB 4.17Å; L21-M159 HydrophobicContact CD2-CG 4.45Å; F45-M159 HydrophobicContact CD2-CE 3.46Å; F45-M159 VanDerWaalsContact CD2-CE 3.46Å; F45-M159 HydrophobicContact CE2-CE 3.53Å; F45-M159 HydrophobicContact CE2-SD 4.26Å; F52-M159 HydrophobicContact CD1-CE 4.42Å; F52-M159 HydrophobicContact CE1-CE 3.34Å; F52-M159 HydrophobicContact CZ-CE 3.59Å; I112-M159 HydrophobicContact CD1-CE 3.77Å; I112-M159 HydrophobicContact CD1-SD 3.97Å; W114-M159 HydrophobicContact CH2-CB 4.24Å; W114-M159 HydrophobicContact CZ2-CB 4.22Å; W114-M159 HydrophobicContact CZ2-SD 3.87Å; L155-M159 WeakPolarHBondContact O-CB 3.24Å; L155-M159 PolarHBondContact O-N 2.97Å; G157-M159 VanDerWaalsContact C-N 3.33Å; G157-M159 PolarHBondContact O-N 3.45Å; M159-L162 HydrophobicContact SD-CD1 4.36Å
160	K	95.8	Very high	95.9	Very high	173 Å²	173	65.6 Å²	65.6	75%	0.752	32%	0.322	S	S	*	.	H	α-helix	trans	-81.5	-30.1	175.7	-70.3	172.3	-177.2	178.6	0	112.7	H156 G157 A158	H156-K160 WeakPolarHBondContact O-CG 2.96Å; H156-K160 PolarHBondContact O-N 2.93Å; G157-K160 PolarHBondContact O-N 3.45Å; A158-K160 VanDerWaalsContact C-N 3.25Å; A158-K160 PolarHBondContact O-N 2.73Å
161	N	96	Very high	96.1	Very high	126 Å²	126	66.7 Å²	66.7	67%	0.674	33%	0.327	S	S	*	.	S	Bend	trans	-114.8	53.7	-173.7	-60.1	-64	0	0	0	111.8	G157 A158	G157-N161 PolarHBondContact O-N 3.26Å; G157-N161 VanDerWaalsContact O-N 3.13Å; G157-N161 PolarHBondContact O-ND2 2.8Å; A158-N161 CarbonylContact O-C 3.57Å; A158-N161 PolarHBondContact O-N 3.47Å
162	L	97.6	Very high	96.4	Very high	35 Å²	35	65.3 Å²	65.3	18%	0.183	32%	0.319	C	S	.	.			trans	-70.2	141.3	179.5	-64.3	172.3	0	0	0	111.6	F45 I112 L143 A145 A158 M159	F45-L162 HydrophobicContact CE2-CD1 3.72Å; F45-L162 HydrophobicContact CZ-CD1 3.63Å; I112-L162 HydrophobicContact CD1-CD1 3.91Å; I112-L162 HydrophobicContact CG1-CD1 4.44Å; I112-L162 HydrophobicContact CG2-CD1 4.36Å; I112-L162 HydrophobicContact CG2-CD2 3.72Å; L143-L162 HydrophobicContact CB-CB 4.23Å; L143-L162 HydrophobicContact CB-CD1 4.21Å; L143-L162 HydrophobicContact CD1-CD1 3.76Å; A145-L162 HydrophobicContact CB-CD2 3.81Å; A158-L162 WeakPolarHBondContact O-CD2 3.37Å; A158-L162 PolarHBondContact O-N 3.09Å; M159-L162 HydrophobicContact SD-CD1 4.36Å
163	R	96.9	Very high	96.6	Very high	90 Å²	90	60.4 Å²	60.4	34%	0.34	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-119.7	-178.7	179.2	68.1	179.4	-167.2	-166.9	4.5	112.3	E122 L143 R144 H146	E122-R163 IonicContact OE1-NH2 3.17Å; E122-R163 PolarHBondContact OE1-NH2 3.05Å; L143-R163 CarbonylContact C-O 3.5Å; L143-R163 WeakPolarHBondContact CA-O 3.43Å; R144-R163 HydrophobicContact CB-CG 4.01Å; R144-R163 HydrophobicContact CG-CG 4.12Å; R144-R163 PolarHBondContact N-O 3.42Å; R144-R163 PolarHBondContact O-N 3.27Å; H146-R163 PolarHBondContact CD2-NH1 2.99Å; H146-R163 PolarHBondContact CD2-NH2 3.35Å; H146-R163 PolarHBondContact NE2-NH1 2.63Å
164	E	97.2	Very high	96.8	Very high	160 Å²	160	53.9 Å²	53.9	75%	0.748	26%	0.263	S	S	*	.			trans	-85.1	146.8	167.5	-64.6	-170	162.3	0	0	110.9
165	P	97.9	Very high	97	Very high	23 Å²	23	50.7 Å²	50.7	15%	0.149	25%	0.249	C	C	.	.			trans	-67.2	143.5	175.4	28.9	-34.8	0	0	0	111.6	L113 F126 I129 I142 R144 K167	L113-P165 HydrophobicContact CD1-CB 4.09Å; L113-P165 HydrophobicContact CD1-CG 4.26Å; F126-P165 HydrophobicContact CE2-CB 3.95Å; F126-P165 HydrophobicContact CZ-CB 3.98Å; F126-P165 HydrophobicContact CZ-CG 4.06Å; I129-P165 HydrophobicContact CD1-CB 4.44Å; I129-P165 HydrophobicContact CD1-CG 3.93Å; I142-P165 HydrophobicContact CG2-CG 4.12Å; R144-P165 HydrophobicContact CB-CB 4.32Å; P165-K167 PolarHBondContact O-N 3.44Å
166	N	97.3	Very high	97	Very high	45 Å²	45	53.4 Å²	53.4	24%	0.241	26%	0.258	C	S	.	.			trans	-89.4	102.9	-173	-171.8	-11.1	0	0	0	111.9	E122 F126 H168 E169 A170	E122-N166 PolarHBondContact OE2-N 3.19Å; F126-N166 WeakPolarHBondContact CE2-O 3.33Å; N166-H168 VanDerWaalsContact C-N 3.28Å; N166-H168 PolarHBondContact O-N 3.18Å; N166-H168 WeakPolarHBondContact OD1-CB 3.47Å; N166-H168 PolarHBondContact OD1-N 2.83Å; N166-E169 HydrophobicContact CB-CB 4.3Å; N166-E169 HydrophobicContact CB-CG 4.4Å; N166-E169 VanDerWaalsContact ND2-CD 3.29Å; N166-E169 WeakPolarHBondContact ND2-CG 3.37Å; N166-E169 PolarHBondContact ND2-OE1 3.05Å; N166-E169 PolarHBondContact OD1-N 3.49Å; N166-A170 PolarHBondContact O-N 2.91Å
167	K	97.8	Very high	96.9	Very high	83 Å²	83	51.7 Å²	51.7	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-30.2	-179.7	-174.2	61.7	-174.1	168.1	0	113.2	F126 P165 A170 L171	F126-K167 HydrophobicContact CD1-CD 3.65Å; F126-K167 HydrophobicContact CD2-CD 4.32Å; F126-K167 HydrophobicContact CE1-CB 4.08Å; F126-K167 HydrophobicContact CE1-CD 3.43Å; F126-K167 VanDerWaalsContact CE1-CD 3.43Å; F126-K167 HydrophobicContact CE1-CG 4.28Å; F126-K167 HydrophobicContact CE2-CB 4.21Å; F126-K167 HydrophobicContact CE2-CD 4.15Å; F126-K167 HydrophobicContact CG-CD 4.1Å; F126-K167 VanDerWaalsContact CZ-CA 3.44Å; F126-K167 HydrophobicContact CZ-CB 3.61Å; F126-K167 HydrophobicContact CZ-CD 3.7Å; F126-K167 HydrophobicContact CZ-CG 4.25Å; P165-K167 PolarHBondContact O-N 3.44Å; K167-A170 PolarHBondContact O-N 3.45Å; K167-L171 HydrophobicContact CD-CG 4.37Å; K167-L171 HydrophobicContact CG-CD1 4.09Å; K167-L171 HydrophobicContact CG-CG 4.31Å; K167-L171 WeakPolarHBondContact O-CB 3.24Å; K167-L171 VanDerWaalsContact O-CG 3.28Å; K167-L171 WeakPolarHBondContact O-CG 3.43Å; K167-L171 PolarHBondContact O-N 3.22Å
168	H	98.1	Very high	97	Very high	90 Å²	90	50.9 Å²	50.9	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-45.6	-178.1	-69.2	-61.6	0	0	0	111.6	N166 L171 S172 I569 A570	N166-H168 VanDerWaalsContact C-N 3.28Å; N166-H168 PolarHBondContact O-N 3.18Å; N166-H168 WeakPolarHBondContact OD1-CB 3.47Å; N166-H168 PolarHBondContact OD1-N 2.83Å; H168-L171 PolarHBondContact O-N 3.18Å; H168-S172 PolarHBondContact O-N 2.88Å; H168-I569 WeakPolarHBondContact CB-O 3.39Å; H168-A570 VanDerWaalsContact CB-O 3.3Å; H168-A570 WeakPolarHBondContact CB-O 3.41Å
169	E	96.5	Very high	97	Very high	46 Å²	46	50.6 Å²	50.6	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-46.5	173	-76	171.6	-144.2	0	0	111.5	K119 E122 N166 L171 S172 V173 A570	K119-E169 HydrophobicContact CG-CB 4.38Å; K119-E169 HydrophobicContact CG-CG 4.3Å; E122-E169 HydrophobicContact CB-CB 4.19Å; E122-E169 WeakPolarHBondContact CG-OE2 3.48Å; N166-E169 HydrophobicContact CB-CB 4.3Å; N166-E169 HydrophobicContact CB-CG 4.4Å; N166-E169 VanDerWaalsContact ND2-CD 3.29Å; N166-E169 WeakPolarHBondContact ND2-CG 3.37Å; N166-E169 PolarHBondContact ND2-OE1 3.05Å; N166-E169 PolarHBondContact OD1-N 3.49Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 2.92Å; E169-S172 WeakPolarHBondContact O-CB 3.44Å; E169-S172 PolarHBondContact O-N 2.86Å; E169-S172 PolarHBondContact O-OG 2.9Å; E169-V173 PolarHBondContact O-N 2.99Å; E169-A570 HydrophobicContact CG-CB 4.12Å
170	A	97.7	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-42	176.7	0	0	0	0	0	112.9	N123 F126 N166 K167 S172 V173 D174	N123-A170 PolarHBondContact ND2-O 2.79Å; F126-A170 HydrophobicContact CB-CB 4.48Å; F126-A170 HydrophobicContact CD2-CB 3.33Å; F126-A170 HydrophobicContact CE2-CB 3.83Å; F126-A170 HydrophobicContact CG-CB 4.12Å; N166-A170 PolarHBondContact O-N 2.91Å; K167-A170 PolarHBondContact O-N 3.45Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 2.9Å; A170-V173 PolarHBondContact O-N 3.33Å; A170-D174 PolarHBondContact O-N 2.83Å
171	L	98	Very high	96.9	Very high	39 Å²	39	44 Å²	44	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-30.1	176.8	-74.4	173.1	0	0	0	112.9	K167 H168 E169 V173 D174 A175 I569 Y576	K167-L171 HydrophobicContact CD-CG 4.37Å; K167-L171 HydrophobicContact CG-CD1 4.09Å; K167-L171 HydrophobicContact CG-CG 4.31Å; K167-L171 WeakPolarHBondContact O-CB 3.24Å; K167-L171 VanDerWaalsContact O-CG 3.28Å; K167-L171 WeakPolarHBondContact O-CG 3.43Å; K167-L171 PolarHBondContact O-N 3.22Å; H168-L171 PolarHBondContact O-N 3.18Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 2.92Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-D174 PolarHBondContact O-N 3.46Å; L171-A175 WeakPolarHBondContact O-CB 3.44Å; L171-A175 PolarHBondContact O-N 3.05Å; L171-I569 HydrophobicContact CB-CG2 3.99Å; L171-Y576 HydrophobicContact CB-CD2 4.36Å; L171-Y576 HydrophobicContact CB-CG 4.5Å; L171-Y576 HydrophobicContact CD2-CD1 4.45Å; L171-Y576 HydrophobicContact CD2-CD2 4.33Å; L171-Y576 HydrophobicContact CD2-CG 4.17Å; L171-Y576 WeakPolarHBondContact O-CD2 3.23Å
172	S	97	Very high	97	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-38.8	174.5	77.1	0	0	0	0	111.9	H168 E169 A170 A175 R176 L566	H168-S172 PolarHBondContact O-N 2.88Å; E169-S172 WeakPolarHBondContact O-CB 3.44Å; E169-S172 PolarHBondContact O-N 2.86Å; E169-S172 PolarHBondContact O-OG 2.9Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 2.9Å; S172-A175 PolarHBondContact O-N 3.06Å; S172-R176 PolarHBondContact O-N 3.05Å; S172-L566 VanDerWaalsContact CB-O 3.31Å; S172-L566 WeakPolarHBondContact CB-O 3.45Å
173	V	96.6	Very high	97	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-43.1	174.3	176.1	0	0	0	0	111	K119 E120 N123 E169 A170 L171 A175 R176 Q177	K119-V173 HydrophobicContact CB-CG2 3.8Å; K119-V173 WeakPolarHBondContact O-CG2 3.43Å; E120-V173 WeakPolarHBondContact OE1-CG1 3.48Å; N123-V173 HydrophobicContact CB-CB 3.77Å; N123-V173 HydrophobicContact CB-CG1 3.73Å; N123-V173 HydrophobicContact CB-CG2 4.15Å; E169-V173 PolarHBondContact O-N 2.99Å; A170-V173 PolarHBondContact O-N 3.33Å; L171-V173 VanDerWaalsContact C-N 3.33Å; V173-A175 VanDerWaalsContact C-N 3.28Å; V173-A175 PolarHBondContact O-N 2.85Å; V173-R176 WeakPolarHBondContact O-CB 3.23Å; V173-R176 PolarHBondContact O-N 3.3Å; V173-R176 VanDerWaalsContact O-N 3.17Å; V173-Q177 HydrophobicContact CG1-CG 4.18Å; V173-Q177 WeakPolarHBondContact O-CB 3.02Å; V173-Q177 WeakPolarHBondContact O-CG 3.24Å; V173-Q177 PolarHBondContact O-N 2.76Å
174	D	97.1	Very high	97	Very high	23 Å²	23	33.3 Å²	33.3	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-44	175.1	-76.4	-21.7	0	0	0	110.9	K88 N123 A170 L171 E178 Y576	K88-D174 WeakPolarHBondContact CE-OD1 3.37Å; K88-D174 IonicContact NZ-OD1 3.06Å; K88-D174 PolarHBondContact NZ-OD1 2.9Å; K88-D174 IonicContact NZ-OD2 2.83Å; N123-D174 VanDerWaalsContact ND2-CG 3.33Å; N123-D174 PolarHBondContact ND2-OD1 2.96Å; A170-D174 PolarHBondContact O-N 2.83Å; L171-D174 PolarHBondContact O-N 3.46Å; D174-E178 WeakPolarHBondContact O-CB 3.45Å; D174-E178 PolarHBondContact O-N 3.24Å; D174-Y576 HydrophobicContact CB-CE2 4.17Å
175	A	97	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-47.1	175.3	0	0	0	0	0	111.8	L171 S172 V173 Q177 E178 L179 L566 I569 Y576	L171-A175 WeakPolarHBondContact O-CB 3.44Å; L171-A175 PolarHBondContact O-N 3.05Å; S172-A175 PolarHBondContact O-N 3.06Å; V173-A175 VanDerWaalsContact C-N 3.28Å; V173-A175 PolarHBondContact O-N 2.85Å; A175-Q177 PolarHBondContact O-N 3.49Å; A175-E178 PolarHBondContact O-N 2.99Å; A175-L179 WeakPolarHBondContact O-CB 3.41Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.31Å; A175-L566 HydrophobicContact CB-CD2 3.53Å; A175-I569 HydrophobicContact CB-CD1 3.86Å; A175-Y576 HydrophobicContact CB-CD2 3.77Å; A175-Y576 HydrophobicContact CB-CE2 3.82Å
176	R	96	Very high	96.9	Very high	58 Å²	58	25.9 Å²	25.9	22%	0.219	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-51.1	178	-171.5	-172.9	59.7	64.2	-1.8	111.3	E120 S172 V173 E178 L179 D180 L566	E120-R176 VanDerWaalsContact CD-NH2 3.32Å; E120-R176 IonicContact OE1-CZ 3.98Å; E120-R176 IonicContact OE1-NE 3.92Å; E120-R176 PolarHBondContact OE1-NE 2.86Å; E120-R176 IonicContact OE1-NH2 2.81Å; E120-R176 PolarHBondContact OE1-NH2 3Å; E120-R176 IonicContact OE2-NH2 3.09Å; E120-R176 PolarHBondContact OE2-NH2 3.11Å; S172-R176 PolarHBondContact O-N 3.05Å; V173-R176 WeakPolarHBondContact O-CB 3.23Å; V173-R176 PolarHBondContact O-N 3.3Å; V173-R176 VanDerWaalsContact O-N 3.17Å; R176-E178 VanDerWaalsContact C-N 3.33Å; R176-E178 PolarHBondContact O-N 3.37Å; R176-L179 PolarHBondContact O-N 3.27Å; R176-D180 IonicContact NH1-OD2 2.75Å; R176-D180 PolarHBondContact NH1-OD2 3.28Å; R176-D180 WeakPolarHBondContact O-CB 3.44Å; R176-D180 PolarHBondContact O-N 3.44Å; R176-L566 HydrophobicContact CB-CD1 3.8Å; R176-L566 HydrophobicContact CB-CD2 4.41Å; R176-L566 HydrophobicContact CG-CD1 3.92Å
177	Q	95.5	Very high	96.9	Very high	23 Å²	23	23.8 Å²	23.8	11%	0.107	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-42.8	-179.5	-70.2	-179.1	-2.6	0	0	111.6	H60 V64 V173 A175 L181	H60-Q177 PolarHBondContact CE1-NE2 3.07Å; V64-Q177 HydrophobicContact CG1-CB 3.8Å; V173-Q177 HydrophobicContact CG1-CG 4.18Å; V173-Q177 WeakPolarHBondContact O-CB 3.02Å; V173-Q177 WeakPolarHBondContact O-CG 3.24Å; V173-Q177 PolarHBondContact O-N 2.76Å; A175-Q177 PolarHBondContact O-N 3.49Å; Q177-L181 VanDerWaalsContact O-CB 3.24Å; Q177-L181 WeakPolarHBondContact O-CB 3.27Å; Q177-L181 PolarHBondContact O-N 3.07Å
178	E	97	Very high	96.9	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-68.4	-44.7	178.7	-177.8	168.7	-174.3	0	0	112.7	I86 D174 A175 R176 L181 R182 Y576 L580	I86-E178 HydrophobicContact CD1-CB 4.27Å; I86-E178 HydrophobicContact CD1-CG 3.81Å; D174-E178 WeakPolarHBondContact O-CB 3.45Å; D174-E178 PolarHBondContact O-N 3.24Å; A175-E178 PolarHBondContact O-N 2.99Å; R176-E178 VanDerWaalsContact C-N 3.33Å; R176-E178 PolarHBondContact O-N 3.37Å; E178-L181 PolarHBondContact O-N 3.29Å; E178-R182 HydrophobicContact CG-CG 4.26Å; E178-R182 VanDerWaalsContact CG-NE 3.31Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.32Å; E178-R182 PolarHBondContact O-N 2.89Å; E178-R182 IonicContact OE1-CZ 3.84Å; E178-R182 IonicContact OE1-NE 3.41Å; E178-R182 PolarHBondContact OE1-NE 2.86Å; E178-R182 IonicContact OE1-NH2 2.61Å; E178-R182 PolarHBondContact OE1-NH2 2.97Å; E178-Y576 PolarHBondContact OE2-OH 3.48Å; E178-L580 HydrophobicContact CB-CD1 3.97Å; E178-L580 VanDerWaalsContact CD-CD2 3.5Å; E178-L580 HydrophobicContact CG-CD1 3.81Å; E178-L580 HydrophobicContact CG-CD2 4.42Å; E178-L580 WeakPolarHBondContact OE1-CD2 2.76Å
179	L	96.9	Very high	96.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-50	176.5	-71	175.2	0	0	0	111	A175 R176 L181 R182 I183 V562 L566 L580 V583 L584	A175-L179 WeakPolarHBondContact O-CB 3.41Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.31Å; R176-L179 PolarHBondContact O-N 3.27Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 2.94Å; L179-R182 PolarHBondContact O-N 3.02Å; L179-I183 HydrophobicContact CB-CD1 4.27Å; L179-I183 HydrophobicContact CD2-CD1 4.44Å; L179-I183 VanDerWaalsContact O-CB 3.27Å; L179-I183 WeakPolarHBondContact O-CB 3.35Å; L179-I183 WeakPolarHBondContact O-CD1 3.44Å; L179-I183 VanDerWaalsContact O-CG1 3.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.5Å; L179-I183 PolarHBondContact O-N 2.82Å; L179-V562 HydrophobicContact CD1-CG1 3.88Å; L179-L566 HydrophobicContact CD1-CD2 4.28Å; L179-L580 HydrophobicContact CD2-CD1 3.95Å; L179-L580 HydrophobicContact CG-CD1 4.02Å; L179-V583 HydrophobicContact CD1-CB 4.29Å; L179-V583 HydrophobicContact CD1-CG1 4.01Å; L179-V583 HydrophobicContact CD2-CB 3.86Å; L179-V583 HydrophobicContact CD2-CG1 3.68Å; L179-V583 HydrophobicContact CG-CG1 4.44Å; L179-L584 HydrophobicContact CD2-CD2 3.81Å; L179-L584 HydrophobicContact CD2-CG 3.79Å
180	D	95.5	Very high	96.7	Very high	36 Å²	36	16.2 Å²	16.2	19%	0.193	8%	0.083	C	C	.	.	H	α-helix	trans	-62.2	-40.8	-179.8	-68.3	-18.1	0	0	0	111	R176 G184 P211 R559	R176-D180 IonicContact NH1-OD2 2.75Å; R176-D180 PolarHBondContact NH1-OD2 3.28Å; R176-D180 WeakPolarHBondContact O-CB 3.44Å; R176-D180 PolarHBondContact O-N 3.44Å; D180-G184 WeakPolarHBondContact O-CA 3.38Å; D180-G184 PolarHBondContact O-N 3.47Å; D180-P211 VanDerWaalsContact OD1-CG 3.26Å; D180-P211 WeakPolarHBondContact OD1-CG 3.38Å; D180-R559 IonicContact OD1-CZ 3.74Å; D180-R559 IonicContact OD1-NH1 3.8Å; D180-R559 PolarHBondContact OD1-NH1 3.06Å
181	L	96.2	Very high	96.5	Very high	30 Å²	30	16.2 Å²	16.2	16%	0.157	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-52.7	176.4	175.6	67.6	0	0	0	111.8	V64 F66 I86 Q177 E178 L179 C185	V64-L181 HydrophobicContact CG1-CB 4.48Å; V64-L181 HydrophobicContact CG1-CD2 4.08Å; V64-L181 HydrophobicContact CG2-CD2 4.01Å; F66-L181 HydrophobicContact CD2-CD1 4.44Å; F66-L181 HydrophobicContact CD2-CD2 4.37Å; F66-L181 HydrophobicContact CD2-CG 4.47Å; F66-L181 HydrophobicContact CE2-CD1 3.91Å; F66-L181 HydrophobicContact CE2-CD2 4.14Å; F66-L181 HydrophobicContact CE2-CG 3.82Å; F66-L181 HydrophobicContact CZ-CD2 4.25Å; F66-L181 HydrophobicContact CZ-CG 3.94Å; I86-L181 HydrophobicContact CG2-CD2 4.18Å; Q177-L181 VanDerWaalsContact O-CB 3.24Å; Q177-L181 WeakPolarHBondContact O-CB 3.27Å; Q177-L181 PolarHBondContact O-N 3.07Å; E178-L181 PolarHBondContact O-N 3.29Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 2.94Å; L181-C185 WeakPolarHBondContact O-CB 3.25Å; L181-C185 PolarHBondContact O-N 3.2Å; L181-C185 PolarHBondContact O-SG 2.75Å
182	R	97.6	Very high	96.2	Very high	14 Å²	14	14.7 Å²	14.7	5%	0.053	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-54.4	-174.7	-71.8	178.3	179.8	-71.9	0.7	111.3	F66 L81 F82 A84 E178 L179 A186 L584	F66-R182 HydrophobicContact CE1-CG 4.22Å; F66-R182 HydrophobicContact CZ-CG 4.39Å; L81-R182 PolarHBondContact O-NH1 3.47Å; F82-R182 PolarHBondContact O-NH1 2.81Å; A84-R182 VanDerWaalsContact O-CZ 3.24Å; A84-R182 PolarHBondContact O-NH1 3.39Å; A84-R182 PolarHBondContact O-NH2 3.35Å; E178-R182 HydrophobicContact CG-CG 4.26Å; E178-R182 VanDerWaalsContact CG-NE 3.31Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.32Å; E178-R182 PolarHBondContact O-N 2.89Å; E178-R182 IonicContact OE1-CZ 3.84Å; E178-R182 IonicContact OE1-NE 3.41Å; E178-R182 PolarHBondContact OE1-NE 2.86Å; E178-R182 IonicContact OE1-NH2 2.61Å; E178-R182 PolarHBondContact OE1-NH2 2.97Å; L179-R182 PolarHBondContact O-N 3.02Å; R182-A186 VanDerWaalsContact O-CB 3.31Å; R182-A186 WeakPolarHBondContact O-CB 3.38Å; R182-A186 PolarHBondContact O-N 2.82Å; R182-L584 HydrophobicContact CB-CD2 3.84Å; R182-L584 VanDerWaalsContact CD-CD1 3.49Å; R182-L584 HydrophobicContact CG-CD2 4.39Å
183	I	97.7	Very high	95.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-49.4	-177.8	-60	165.6	0	0	0	109.1	F82 L179 C185 A186 F187 F209 P211 V583 L584 F587	F82-I183 HydrophobicContact CE1-CG1 4.31Å; L179-I183 HydrophobicContact CB-CD1 4.27Å; L179-I183 HydrophobicContact CD2-CD1 4.44Å; L179-I183 VanDerWaalsContact O-CB 3.27Å; L179-I183 WeakPolarHBondContact O-CB 3.35Å; L179-I183 WeakPolarHBondContact O-CD1 3.44Å; L179-I183 VanDerWaalsContact O-CG1 3.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.5Å; L179-I183 PolarHBondContact O-N 2.82Å; I183-C185 PolarHBondContact O-N 2.61Å; I183-A186 PolarHBondContact O-N 3.16Å; I183-F187 HydrophobicContact CG2-CD2 4Å; I183-F187 HydrophobicContact CG2-CE2 4.11Å; I183-F187 WeakPolarHBondContact O-CD2 3.36Å; I183-F187 PolarHBondContact O-N 2.78Å; I183-F209 HydrophobicContact CG2-CD1 4.19Å; I183-F209 HydrophobicContact CG2-CE1 3.67Å; I183-P211 HydrophobicContact CG2-CB 4.48Å; I183-V583 HydrophobicContact CD1-CG1 4.48Å; I183-L584 HydrophobicContact CG1-CD2 4.28Å; I183-F587 HydrophobicContact CD1-CB 4.03Å; I183-F587 HydrophobicContact CD1-CD1 4.05Å; I183-F587 HydrophobicContact CD1-CD2 3.47Å; I183-F587 VanDerWaalsContact CD1-CD2 3.47Å; I183-F587 HydrophobicContact CD1-CE1 4.39Å; I183-F587 HydrophobicContact CD1-CE2 3.86Å; I183-F587 HydrophobicContact CD1-CG 3.57Å; I183-F587 HydrophobicContact CD1-CZ 4.3Å; I183-F587 HydrophobicContact CG1-CB 3.89Å; I183-F587 HydrophobicContact CG1-CD1 4.28Å; I183-F587 HydrophobicContact CG1-CD2 4.29Å; I183-F587 HydrophobicContact CG1-CG 3.9Å; I183-F587 HydrophobicContact CG2-CB 4.44Å; I183-F587 HydrophobicContact CG2-CD1 3.56Å; I183-F587 HydrophobicContact CG2-CE1 3.96Å; I183-F587 HydrophobicContact CG2-CG 4.07Å
184	G	96.2	Very high	95.6	Very high	10 Å²	10	22.3 Å²	22.3	10%	0.103	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-48.2	-179.1	0	0	0	0	0	112.2	D180 T188 F209	D180-G184 WeakPolarHBondContact O-CA 3.38Å; D180-G184 PolarHBondContact O-N 3.47Å; G184-T188 WeakPolarHBondContact O-CB 3.28Å; G184-T188 PolarHBondContact O-N 3.01Å; G184-T188 PolarHBondContact O-OG1 3.17Å; G184-F209 WeakPolarHBondContact CA-O 3.23Å
185	C	96	Very high	95.3	Very high	27 Å²	27	21.2 Å²	21.2	18%	0.182	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-42.1	179.6	-72.2	0	0	0	0	112.9	F66 L81 L181 I183 T188 R189	F66-C185 HydrophobicContact CE2-CB 3.89Å; F66-C185 HydrophobicContact CZ-CB 4.28Å; L81-C185 HydrophobicContact CD1-CB 3.88Å; L181-C185 WeakPolarHBondContact O-CB 3.25Å; L181-C185 PolarHBondContact O-N 3.2Å; L181-C185 PolarHBondContact O-SG 2.75Å; I183-C185 PolarHBondContact O-N 2.61Å; C185-T188 PolarHBondContact O-N 2.9Å; C185-R189 VanDerWaalsContact O-CB 3.24Å; C185-R189 WeakPolarHBondContact O-CB 3.37Å; C185-R189 WeakPolarHBondContact O-CG 3.38Å; C185-R189 PolarHBondContact O-N 3.28Å
186	A	97.3	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.4	-53.4	-178.4	0	0	0	0	0	111.5	P78 L81 F82 R182 I183 F190 Y591	P78-A186 WeakPolarHBondContact CB-O 3.47Å; L81-A186 HydrophobicContact CB-CB 4.42Å; F82-A186 HydrophobicContact CD2-CB 4.09Å; F82-A186 HydrophobicContact CE2-CB 3.43Å; F82-A186 VanDerWaalsContact CE2-CB 3.43Å; F82-A186 HydrophobicContact CZ-CB 3.8Å; R182-A186 VanDerWaalsContact O-CB 3.31Å; R182-A186 WeakPolarHBondContact O-CB 3.38Å; R182-A186 PolarHBondContact O-N 2.82Å; I183-A186 PolarHBondContact O-N 3.16Å; A186-F190 WeakPolarHBondContact O-CB 3.44Å; A186-F190 PolarHBondContact O-N 3Å; A186-Y591 HydrophobicContact CB-CD2 4.27Å; A186-Y591 HydrophobicContact CB-CE2 4.23Å; A186-Y591 WeakPolarHBondContact O-CE2 3.39Å
187	F	97.7	Very high	93.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-43	178.6	-80.1	-93.9	0	0	0	112.4	F82 I183 Q191 F209 L553 F587 Y591 F594	F82-F187 HydrophobicContact CZ-CE2 4.21Å; I183-F187 HydrophobicContact CG2-CD2 4Å; I183-F187 HydrophobicContact CG2-CE2 4.11Å; I183-F187 WeakPolarHBondContact O-CD2 3.36Å; I183-F187 PolarHBondContact O-N 2.78Å; F187-Q191 WeakPolarHBondContact O-CG 3.47Å; F187-Q191 PolarHBondContact O-N 3.07Å; F187-Q191 VanDerWaalsContact O-N 3.14Å; F187-Q191 PolarHBondContact O-NE2 2.84Å; F187-F209 HydrophobicContact CB-CB 3.47Å; F187-F209 VanDerWaalsContact CB-CB 3.47Å; F187-F209 HydrophobicContact CB-CD1 3.61Å; F187-F209 HydrophobicContact CB-CG 3.63Å; F187-F209 HydrophobicContact CD1-CD1 4.43Å; F187-F209 HydrophobicContact CD1-CG 4.37Å; F187-F209 AromaticContact CD2-CD1 3.92Å; F187-F209 HydrophobicContact CD2-CD1 3.92Å; F187-F209 HydrophobicContact CD2-CE1 4.08Å; F187-F209 HydrophobicContact CE2-CE1 4.45Å; F187-F209 HydrophobicContact CG-CB 4.35Å; F187-F209 AromaticContact CG-CD1 3.75Å; F187-F209 HydrophobicContact CG-CD1 3.75Å; F187-F209 HydrophobicContact CG-CE1 4.22Å; F187-F209 AromaticContact CG-CG 3.99Å; F187-F209 HydrophobicContact CG-CG 3.99Å; F187-L553 HydrophobicContact CE1-CD1 4.1Å; F187-L553 HydrophobicContact CE1-CD2 4.39Å; F187-L553 HydrophobicContact CZ-CD2 4.18Å; F187-F587 HydrophobicContact CE2-CD1 4.39Å; F187-Y591 HydrophobicContact CD1-CD2 4.19Å; F187-Y591 AromaticContact CD2-CD2 3.94Å; F187-Y591 HydrophobicContact CD2-CD2 3.94Å; F187-Y591 HydrophobicContact CE1-CD2 4.22Å; F187-Y591 AromaticContact CE2-CD2 3.98Å; F187-Y591 HydrophobicContact CE2-CD2 3.98Å; F187-Y591 HydrophobicContact CE2-CG 4.37Å; F187-Y591 HydrophobicContact CG-CD2 4.06Å; F187-Y591 HydrophobicContact CZ-CD2 4.12Å; F187-Y591 HydrophobicContact CZ-CG 4.44Å; F187-F594 AromaticContact CD1-CD1 3.88Å; F187-F594 HydrophobicContact CD1-CD1 3.88Å; F187-F594 HydrophobicContact CD1-CE1 4.18Å; F187-F594 HydrophobicContact CD1-CG 4.17Å; F187-F594 HydrophobicContact CE1-CB 3.87Å; F187-F594 AromaticContact CE1-CD1 3.92Å; F187-F594 HydrophobicContact CE1-CD1 3.92Å; F187-F594 HydrophobicContact CE1-CD2 4.38Å; F187-F594 AromaticContact CE1-CG 3.79Å; F187-F594 HydrophobicContact CE1-CG 3.79Å
188	T	96.4	Very high	93.3	Very high	15 Å²	15	27.8 Å²	27.8	9%	0.092	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-51.7	-178.9	-63.7	0	0	0	0	111.2	W73 G184 C185 F190 Q191 T192 S208 F209	W73-T188 HydrophobicContact CH2-CG2 4Å; W73-T188 HydrophobicContact CZ3-CG2 4.38Å; G184-T188 WeakPolarHBondContact O-CB 3.28Å; G184-T188 PolarHBondContact O-N 3.01Å; G184-T188 PolarHBondContact O-OG1 3.17Å; C185-T188 PolarHBondContact O-N 2.9Å; T188-F190 VanDerWaalsContact C-N 3.31Å; T188-F190 PolarHBondContact O-N 3.3Å; T188-Q191 PolarHBondContact O-N 2.92Å; T188-T192 WeakPolarHBondContact O-CB 3.34Å; T188-T192 PolarHBondContact O-N 3.48Å; T188-T192 PolarHBondContact O-OG1 3.08Å; T188-S208 WeakPolarHBondContact OG1-CA 3.45Å; T188-F209 PolarHBondContact OG1-N 2.91Å; T188-F209 PolarHBondContact OG1-O 3.19Å
189	R	94.9	Very high	92.7	Very high	15 Å²	15	27.6 Å²	27.6	6%	0.057	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-39.2	-176.1	-67.1	-169	-168.9	-176.8	4.6	111.9	Y70 W73 P78 C185 K193	Y70-R189 PolarHBondContact O-NH1 3.4Å; W73-R189 HydrophobicContact CD2-CB 4.41Å; W73-R189 HydrophobicContact CD2-CG 3.58Å; W73-R189 HydrophobicContact CE3-CB 4.13Å; W73-R189 HydrophobicContact CE3-CG 3.65Å; W73-R189 HydrophobicContact CG-CG 4.15Å; W73-R189 HydrophobicContact CH2-CG 3.97Å; W73-R189 HydrophobicContact CZ2-CG 3.92Å; W73-R189 HydrophobicContact CZ3-CB 4.39Å; W73-R189 HydrophobicContact CZ3-CG 3.84Å; P78-R189 HydrophobicContact CB-CB 4.3Å; P78-R189 HydrophobicContact CG-CB 4.13Å; C185-R189 VanDerWaalsContact O-CB 3.24Å; C185-R189 WeakPolarHBondContact O-CB 3.37Å; C185-R189 WeakPolarHBondContact O-CG 3.38Å; C185-R189 PolarHBondContact O-N 3.28Å; R189-K193 VanDerWaalsContact O-CB 3.25Å; R189-K193 WeakPolarHBondContact O-CB 3.08Å; R189-K193 PolarHBondContact O-N 3.14Å; R189-K193 VanDerWaalsContact O-N 3.09Å
190	F	95.8	Very high	91.7	Very high	31 Å²	31	27.7 Å²	27.7	14%	0.136	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-53.9	174.2	173.3	-103.2	0	0	0	111.3	P78 A186 T188 K193 F194 Y591 F594 V595 I598	P78-F190 HydrophobicContact CB-CB 4.25Å; P78-F190 HydrophobicContact CG-CB 4.12Å; A186-F190 WeakPolarHBondContact O-CB 3.44Å; A186-F190 PolarHBondContact O-N 3Å; T188-F190 VanDerWaalsContact C-N 3.31Å; T188-F190 PolarHBondContact O-N 3.3Å; F190-K193 PolarHBondContact O-N 2.71Å; F190-F194 HydrophobicContact CZ-CD2 4.32Å; F190-F194 VanDerWaalsContact O-CB 3.28Å; F190-F194 WeakPolarHBondContact O-CB 3.23Å; F190-F194 PolarHBondContact O-N 3.29Å; F190-Y591 HydrophobicContact CB-CE2 4.02Å; F190-Y591 HydrophobicContact CG-CE2 4.38Å; F190-F594 HydrophobicContact CD1-CD1 4.16Å; F190-F594 AromaticContact CD1-CE1 3.8Å; F190-F594 HydrophobicContact CD1-CE1 3.8Å; F190-F594 HydrophobicContact CE1-CD1 4.12Å; F190-F594 AromaticContact CE1-CE1 3.85Å; F190-F594 HydrophobicContact CE1-CE1 3.85Å; F190-V595 HydrophobicContact CD1-CG2 4.08Å; F190-V595 HydrophobicContact CD2-CG2 3.95Å; F190-V595 HydrophobicContact CE1-CB 4.45Å; F190-V595 HydrophobicContact CE1-CG2 3.9Å; F190-V595 HydrophobicContact CE2-CB 4.27Å; F190-V595 HydrophobicContact CE2-CG1 3.75Å; F190-V595 HydrophobicContact CE2-CG2 3.78Å; F190-V595 HydrophobicContact CG-CG2 4.11Å; F190-V595 HydrophobicContact CZ-CB 4.04Å; F190-V595 HydrophobicContact CZ-CG1 3.82Å; F190-V595 HydrophobicContact CZ-CG2 3.76Å; F190-I598 HydrophobicContact CE1-CB 4.12Å; F190-I598 HydrophobicContact CE1-CD1 3.8Å; F190-I598 HydrophobicContact CE1-CG1 3.74Å; F190-I598 HydrophobicContact CZ-CB 4.13Å; F190-I598 HydrophobicContact CZ-CG1 4.02Å; F190-I598 HydrophobicContact CZ-CG2 4.29Å
191	Q	94.9	Very high	91	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-44	-177.7	-69.8	174.6	81.2	0	0	112.8	F187 T188 K193 F194 F195 V207 Y546 F594	F187-Q191 WeakPolarHBondContact O-CG 3.47Å; F187-Q191 PolarHBondContact O-N 3.07Å; F187-Q191 VanDerWaalsContact O-N 3.14Å; F187-Q191 PolarHBondContact O-NE2 2.84Å; T188-Q191 PolarHBondContact O-N 2.92Å; Q191-K193 PolarHBondContact O-N 2.84Å; Q191-F194 PolarHBondContact O-N 3.45Å; Q191-F195 HydrophobicContact CB-CD2 4.17Å; Q191-F195 HydrophobicContact CB-CE2 4.26Å; Q191-F195 HydrophobicContact CG-CE2 4.43Å; Q191-F195 WeakPolarHBondContact O-CB 3.34Å; Q191-F195 VanDerWaalsContact O-CD2 3.23Å; Q191-F195 WeakPolarHBondContact O-CD2 3.49Å; Q191-F195 PolarHBondContact O-N 2.82Å; Q191-V207 HydrophobicContact CB-CG1 3.64Å; Q191-V207 HydrophobicContact CG-CG1 4.49Å; Q191-Y546 VanDerWaalsContact CD-OH 3.31Å; Q191-Y546 PolarHBondContact NE2-OH 2.9Å; Q191-Y546 PolarHBondContact OE1-OH 2.92Å; Q191-F594 HydrophobicContact CG-CE1 3.78Å; Q191-F594 HydrophobicContact CG-CZ 3.89Å
192	T	91.1	Very high	90.3	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.043	15%	0.145	C	C	.	.	H	α-helix	trans	-56.9	-43.1	177.1	-57.9	0	0	0	0	110.7	W73 T188 Q196 V207	W73-T192 HydrophobicContact CE3-CG2 4.43Å; W73-T192 HydrophobicContact CZ3-CG2 3.98Å; T188-T192 WeakPolarHBondContact O-CB 3.34Å; T188-T192 PolarHBondContact O-N 3.48Å; T188-T192 PolarHBondContact O-OG1 3.08Å; T192-Q196 WeakPolarHBondContact O-CA 3.39Å; T192-Q196 VanDerWaalsContact O-CB 3.28Å; T192-Q196 WeakPolarHBondContact O-CB 3.49Å; T192-Q196 PolarHBondContact O-N 3.47Å; T192-Q196 VanDerWaalsContact O-N 3.09Å; T192-V207 PolarHBondContact OG1-O 3.42Å
193	K	90.2	Very high	89.6	Confident	108 Å²	108	29.3 Å²	29.3	47%	0.47	15%	0.151	S	C	.	.	H	α-helix	trans	-69.7	-44	177.5	-173.9	175.5	-178.9	175.8	0	112	D74 R189 F190 Q191 Q196	D74-K193 PolarHBondContact O-NZ 3.21Å; R189-K193 VanDerWaalsContact O-CB 3.25Å; R189-K193 WeakPolarHBondContact O-CB 3.08Å; R189-K193 PolarHBondContact O-N 3.14Å; R189-K193 VanDerWaalsContact O-N 3.09Å; F190-K193 PolarHBondContact O-N 2.71Å; Q191-K193 PolarHBondContact O-N 2.84Å; K193-Q196 WeakPolarHBondContact O-CB 3.21Å; K193-Q196 PolarHBondContact O-N 3.04Å
194	F	91.1	Very high	88.7	Confident	59 Å²	59	29.4 Å²	29.4	26%	0.259	15%	0.152	S	C	.	.	H	α-helix	trans	-62.3	-43.8	-179.9	-176.9	-91.4	0	0	0	112.1	F190 Q191 Q196 I598 D602	F190-F194 HydrophobicContact CZ-CD2 4.32Å; F190-F194 VanDerWaalsContact O-CB 3.28Å; F190-F194 WeakPolarHBondContact O-CB 3.23Å; F190-F194 PolarHBondContact O-N 3.29Å; Q191-F194 PolarHBondContact O-N 3.45Å; F194-Q196 VanDerWaalsContact C-N 3.35Å; F194-I598 HydrophobicContact CD1-CG1 3.87Å; F194-I598 HydrophobicContact CD2-CG1 4.19Å; F194-I598 HydrophobicContact CD2-CG2 4.33Å; F194-I598 HydrophobicContact CE1-CG1 3.72Å; F194-I598 HydrophobicContact CE2-CG1 4.04Å; F194-I598 HydrophobicContact CE2-CG2 3.65Å; F194-I598 HydrophobicContact CG-CG1 4.11Å; F194-I598 HydrophobicContact CZ-CB 4.45Å; F194-I598 HydrophobicContact CZ-CG1 3.81Å; F194-I598 HydrophobicContact CZ-CG2 3.77Å; F194-D602 HydrophobicContact CE1-CB 4Å; F194-D602 HydrophobicContact CZ-CB 4.33Å
195	F	89.9	Confident	87.8	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2	179.3	-63.8	-57.4	0	0	0	113.9	Q191 G197 K198 Y199 L202 V207 I598 M601 D602 F605	Q191-F195 HydrophobicContact CB-CD2 4.17Å; Q191-F195 HydrophobicContact CB-CE2 4.26Å; Q191-F195 HydrophobicContact CG-CE2 4.43Å; Q191-F195 WeakPolarHBondContact O-CB 3.34Å; Q191-F195 VanDerWaalsContact O-CD2 3.23Å; Q191-F195 WeakPolarHBondContact O-CD2 3.49Å; Q191-F195 PolarHBondContact O-N 2.82Å; F195-G197 PolarHBondContact O-N 3.4Å; F195-G197 VanDerWaalsContact O-N 3.07Å; F195-K198 PolarHBondContact O-N 3.05Å; F195-Y199 HydrophobicContact CD1-CD2 4.34Å; F195-Y199 AromaticContact CD1-CE2 3.77Å; F195-Y199 HydrophobicContact CD1-CE2 3.77Å; F195-Y199 HydrophobicContact CE1-CE2 4.16Å; F195-L202 HydrophobicContact CB-CD2 3.91Å; F195-L202 HydrophobicContact CG-CD2 4.4Å; F195-V207 HydrophobicContact CD2-CG1 4.37Å; F195-I598 HydrophobicContact CZ-CD1 4.39Å; F195-M601 HydrophobicContact CE2-CG 4.46Å; F195-M601 HydrophobicContact CE2-SD 3.93Å; F195-M601 HydrophobicContact CZ-CG 3.92Å; F195-M601 HydrophobicContact CZ-SD 3.97Å; F195-D602 HydrophobicContact CE1-CB 4.45Å; F195-F605 HydrophobicContact CD1-CD1 4.26Å; F195-F605 HydrophobicContact CD2-CE1 4.42Å; F195-F605 HydrophobicContact CE1-CB 4.28Å; F195-F605 HydrophobicContact CE1-CD1 4.16Å; F195-F605 HydrophobicContact CE1-CD2 4.38Å; F195-F605 HydrophobicContact CE1-CG 4.02Å; F195-F605 HydrophobicContact CE2-CE1 4.39Å; F195-F605 HydrophobicContact CE2-CE2 4.4Å; F195-F605 HydrophobicContact CE2-CZ 4.24Å; F195-F605 HydrophobicContact CZ-CD1 4.39Å; F195-F605 HydrophobicContact CZ-CD2 4.13Å; F195-F605 HydrophobicContact CZ-CE2 4.22Å; F195-F605 HydrophobicContact CZ-CG 4.2Å; F195-F605 HydrophobicContact CZ-CZ 4.41Å
196	Q	85.4	Confident	87.2	Confident	114 Å²	114	34.9 Å²	34.9	53%	0.533	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	114.4	-176.5	-167.2	171.4	6.6	0	0	111.2	T192 K193 F194 K198	T192-Q196 WeakPolarHBondContact O-CA 3.39Å; T192-Q196 VanDerWaalsContact O-CB 3.28Å; T192-Q196 WeakPolarHBondContact O-CB 3.49Å; T192-Q196 PolarHBondContact O-N 3.47Å; T192-Q196 VanDerWaalsContact O-N 3.09Å; K193-Q196 WeakPolarHBondContact O-CB 3.21Å; K193-Q196 PolarHBondContact O-N 3.04Å; F194-Q196 VanDerWaalsContact C-N 3.35Å; Q196-K198 PolarHBondContact O-N 3.48Å
197	G	77.5	Confident	86.9	Confident	30 Å²	30	34.9 Å²	34.9	31%	0.309	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	8.5	177.4	0	0	0	0	0	114.8	F195 L612	F195-G197 PolarHBondContact O-N 3.4Å; F195-G197 VanDerWaalsContact O-N 3.07Å; G197-L612 WeakPolarHBondContact O-CD2 3.44Å
198	K	84.9	Confident	86.7	Confident	74 Å²	74	35 Å²	35	32%	0.322	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-41.6	-180	-165.3	168.8	-174.3	175.5	0	112.8	F195 Q196 D602 L612	F195-K198 PolarHBondContact O-N 3.05Å; Q196-K198 PolarHBondContact O-N 3.48Å; K198-D602 VanDerWaalsContact CE-OD1 3.23Å; K198-D602 WeakPolarHBondContact CE-OD1 3.5Å; K198-D602 WeakPolarHBondContact CE-OD2 3.14Å; K198-D602 IonicContact NZ-OD1 3.91Å; K198-D602 PolarHBondContact NZ-OD1 3.12Å; K198-D602 IonicContact NZ-OD2 3.86Å; K198-D602 PolarHBondContact NZ-OD2 2.88Å; K198-L612 PolarHBondContact O-N 3.27Å
199	Y	84.1	Confident	86.8	Confident	5 Å²	5	34.7 Å²	34.7	2%	0.02	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-112.4	143.9	179	-55.3	-70	0	0	0	110.6	F195 L202 D602 F605 E606 F609 T610 R638	F195-Y199 HydrophobicContact CD1-CD2 4.34Å; F195-Y199 AromaticContact CD1-CE2 3.77Å; F195-Y199 HydrophobicContact CD1-CE2 3.77Å; F195-Y199 HydrophobicContact CE1-CE2 4.16Å; Y199-L202 HydrophobicContact CD2-CD2 3.85Å; Y199-D602 PolarHBondContact OH-O 3.31Å; Y199-D602 VanDerWaalsContact OH-O 3.12Å; Y199-D602 PolarHBondContact OH-OD1 3.46Å; Y199-F605 HydrophobicContact CD2-CB 4.34Å; Y199-F605 HydrophobicContact CD2-CD1 4.31Å; Y199-F605 HydrophobicContact CE2-CB 3.59Å; Y199-F605 HydrophobicContact CE2-CD1 4.19Å; Y199-F605 HydrophobicContact CE2-CG 4.33Å; Y199-E606 HydrophobicContact CE1-CB 4.03Å; Y199-E606 HydrophobicContact CE1-CG 4.44Å; Y199-E606 PolarHBondContact OH-N 2.98Å; Y199-F609 HydrophobicContact CD1-CB 4.03Å; Y199-F609 HydrophobicContact CG-CB 3.89Å; Y199-T610 CarbonylContact C-O 3.6Å; Y199-T610 WeakPolarHBondContact CA-O 3.41Å; Y199-R638 PolarHBondContact O-NH2 3Å
200	G	75.6	Confident	86.8	Confident	3 Å²	3	34.4 Å²	34.4	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-82.8	-28.7	-173.8	0	0	0	0	0	114.1	T610 S615 I632 S634 R638	G200-T610 PolarHBondContact N-O 3.24Å; G200-S615 WeakPolarHBondContact CA-OG 3.48Å; G200-I632 WeakPolarHBondContact O-CG2 3.44Å; G200-S634 WeakPolarHBondContact O-CB 3.5Å; G200-S634 PolarHBondContact O-OG 3.43Å; G200-R638 PolarHBondContact O-NH2 3.36Å; G200-R638 VanDerWaalsContact O-NH2 3.16Å
201	D	81.1	Confident	86.8	Confident	71 Å²	71	33.5 Å²	33.5	38%	0.38	18%	0.175	S	C	.	.	S	Bend	trans	-102.1	-4.4	178.1	46.6	11	0	0	0	113.7	F609 T610	D201-F609 WeakPolarHBondContact OD1-CA 3.48Å; D201-F609 VanDerWaalsContact OD1-CB 3.24Å; D201-F609 WeakPolarHBondContact OD1-CB 3.35Å; D201-T610 VanDerWaalsContact CG-N 3.33Å; D201-T610 PolarHBondContact OD1-N 2.66Å; D201-T610 PolarHBondContact OD1-OG1 3.44Å; D201-T610 WeakPolarHBondContact OD2-CB 3.24Å; D201-T610 PolarHBondContact OD2-N 2.78Å; D201-T610 PolarHBondContact OD2-OG1 3.07Å
202	L	81.8	Confident	86.8	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	18%	0.176	C	C	.	.			trans	-84	130	171.4	-176.8	66.6	0	0	0	112.1	F195 Y199 V207 L538 F605 F609	F195-L202 HydrophobicContact CB-CD2 3.91Å; F195-L202 HydrophobicContact CG-CD2 4.4Å; Y199-L202 HydrophobicContact CD2-CD2 3.85Å; L202-V207 HydrophobicContact CD1-CG2 4.32Å; L202-L538 HydrophobicContact CD1-CD1 3.77Å; L202-F605 HydrophobicContact CD1-CE1 4.09Å; L202-F605 HydrophobicContact CD2-CD1 3.84Å; L202-F605 HydrophobicContact CD2-CE1 3.81Å; L202-F609 HydrophobicContact CB-CD1 4.29Å; L202-F609 HydrophobicContact CB-CG 4.3Å; L202-F609 HydrophobicContact CD1-CD2 4.39Å; L202-F609 HydrophobicContact CD1-CE1 4.11Å; L202-F609 HydrophobicContact CD1-CE2 3.88Å; L202-F609 HydrophobicContact CD1-CZ 3.75Å
203	N	81.2	Confident	87.1	Confident	35 Å²	35	34.1 Å²	34.1	19%	0.187	18%	0.177	C	C	.	.			trans	-92.8	95.7	160.7	-179.4	2.9	0	0	0	109.5	N205 L206 R635	N203-N205 PolarHBondContact O-N 3.23Å; N203-N205 VanDerWaalsContact O-N 3.07Å; N203-N205 WeakPolarHBondContact OD1-CB 3.32Å; N203-N205 PolarHBondContact OD1-N 2.89Å; N203-N205 PolarHBondContact OD1-ND2 2.76Å; N203-L206 HydrophobicContact CB-CD1 4.03Å; N203-L206 HydrophobicContact CB-CG 4.14Å; N203-L206 WeakPolarHBondContact O-CB 3.23Å; N203-L206 PolarHBondContact O-N 3.18Å; N203-R635 VanDerWaalsContact CA-O 3.29Å; N203-R635 WeakPolarHBondContact CA-O 3.24Å; N203-R635 WeakPolarHBondContact CB-O 3.25Å; N203-R635 PolarHBondContact OD1-O 3.48Å; N203-R635 VanDerWaalsContact OD1-O 3.1Å
204	S	79.5	Confident	87.4	Confident	4 Å²	4	29.2 Å²	29.2	3%	0.028	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18	-176.4	66.9	0	0	0	0	113.9	L206 V207	S204-L206 PolarHBondContact O-N 3.23Å; S204-V207 WeakPolarHBondContact O-CB 3.29Å; S204-V207 PolarHBondContact O-N 3.13Å
205	N	78	Confident	87.8	Confident	89 Å²	89	26.6 Å²	26.6	48%	0.476	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-68.1	-16.5	173.9	-59.9	-45.9	0	0	0	113	N203	N203-N205 PolarHBondContact O-N 3.23Å; N203-N205 VanDerWaalsContact O-N 3.07Å; N203-N205 WeakPolarHBondContact OD1-CB 3.32Å; N203-N205 PolarHBondContact OD1-N 2.89Å; N203-N205 PolarHBondContact OD1-ND2 2.76Å
206	L	82.4	Confident	88.2	Confident	63 Å²	63	26.6 Å²	26.6	33%	0.33	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-83.2	-18	172.8	-61.2	178.1	0	0	0	111.9	N203 S204 S208 Y524 L538	N203-L206 HydrophobicContact CB-CD1 4.03Å; N203-L206 HydrophobicContact CB-CG 4.14Å; N203-L206 WeakPolarHBondContact O-CB 3.23Å; N203-L206 PolarHBondContact O-N 3.18Å; S204-L206 PolarHBondContact O-N 3.23Å; L206-S208 PolarHBondContact O-N 2.77Å; L206-Y524 VanDerWaalsContact O-CE1 3.24Å; L206-Y524 WeakPolarHBondContact O-CE1 3.47Å; L206-Y524 VanDerWaalsContact O-CZ 3.3Å; L206-Y524 PolarHBondContact O-OH 2.95Å; L206-L538 HydrophobicContact CB-CD2 3.88Å
207	V	91.3	Very high	88.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.			trans	-73.4	117.5	179.2	179.2	0	0	0	0	109.2	Q191 T192 F195 L202 S204 L538 L542 F605	Q191-V207 HydrophobicContact CB-CG1 3.64Å; Q191-V207 HydrophobicContact CG-CG1 4.49Å; T192-V207 PolarHBondContact OG1-O 3.42Å; F195-V207 HydrophobicContact CD2-CG1 4.37Å; L202-V207 HydrophobicContact CD1-CG2 4.32Å; S204-V207 WeakPolarHBondContact O-CB 3.29Å; S204-V207 PolarHBondContact O-N 3.13Å; V207-L538 HydrophobicContact CG2-CD1 4.17Å; V207-L542 HydrophobicContact CG1-CD2 3.91Å; V207-F605 HydrophobicContact CG2-CE1 4.41Å
208	S	94.6	Very high	89.8	Confident	4 Å²	4	20.2 Å²	20.2	3%	0.028	11%	0.109	C	C	.	.			trans	-148.7	152.4	-178.9	66.9	0	0	0	0	110.4	T188 L206 Y524	T188-S208 WeakPolarHBondContact OG1-CA 3.45Å; L206-S208 PolarHBondContact O-N 2.77Å; S208-Y524 WeakPolarHBondContact CA-OH 3.41Å; S208-Y524 WeakPolarHBondContact CB-OH 3.48Å; S208-Y524 PolarHBondContact N-OH 3.48Å; S208-Y524 PolarHBondContact O-OH 2.82Å; S208-Y524 PolarHBondContact OG-OH 3.36Å
209	F	97.2	Very high	90.5	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.031	10%	0.098	C	C	.	.			trans	-118.9	137.5	173.7	179.2	-95.1	0	0	0	108.8	I183 G184 F187 T188 T214 Y546 L553	I183-F209 HydrophobicContact CG2-CD1 4.19Å; I183-F209 HydrophobicContact CG2-CE1 3.67Å; G184-F209 WeakPolarHBondContact CA-O 3.23Å; F187-F209 HydrophobicContact CB-CB 3.47Å; F187-F209 VanDerWaalsContact CB-CB 3.47Å; F187-F209 HydrophobicContact CB-CD1 3.61Å; F187-F209 HydrophobicContact CB-CG 3.63Å; F187-F209 HydrophobicContact CD1-CD1 4.43Å; F187-F209 HydrophobicContact CD1-CG 4.37Å; F187-F209 AromaticContact CD2-CD1 3.92Å; F187-F209 HydrophobicContact CD2-CD1 3.92Å; F187-F209 HydrophobicContact CD2-CE1 4.08Å; F187-F209 HydrophobicContact CE2-CE1 4.45Å; F187-F209 HydrophobicContact CG-CB 4.35Å; F187-F209 AromaticContact CG-CD1 3.75Å; F187-F209 HydrophobicContact CG-CD1 3.75Å; F187-F209 HydrophobicContact CG-CE1 4.22Å; F187-F209 AromaticContact CG-CG 3.99Å; F187-F209 HydrophobicContact CG-CG 3.99Å; T188-F209 PolarHBondContact OG1-N 2.91Å; T188-F209 PolarHBondContact OG1-O 3.19Å; F209-T214 HydrophobicContact CD2-CG2 4.2Å; F209-T214 WeakPolarHBondContact CD2-OG1 3.32Å; F209-T214 HydrophobicContact CE2-CG2 3.94Å; F209-T214 WeakPolarHBondContact CE2-OG1 3.35Å; F209-Y546 AromaticContact CD2-CE1 3.82Å; F209-Y546 HydrophobicContact CD2-CE1 3.82Å; F209-Y546 HydrophobicContact CD2-CE2 4.15Å; F209-Y546 AromaticContact CD2-CZ 3.63Å; F209-Y546 HydrophobicContact CE2-CE1 4.41Å; F209-L553 HydrophobicContact CE2-CB 4.23Å; F209-L553 HydrophobicContact CE2-CD2 4.4Å; F209-L553 HydrophobicContact CZ-CD2 4.07Å
210	G	95.4	Very high	91.2	Very high	10 Å²	10	17.5 Å²	17.5	10%	0.103	10%	0.098	C	C	.	.			trans	-137.7	135.7	168.6	0	0	0	0	0	109.8	C212 Q213 T214	G210-C212 PolarHBondContact O-N 3.09Å; G210-C212 VanDerWaalsContact O-N 3.11Å; G210-Q213 PolarHBondContact O-N 3.21Å; G210-T214 PolarHBondContact N-OG1 3.43Å; G210-T214 WeakPolarHBondContact O-CB 3.43Å; G210-T214 PolarHBondContact O-N 3.25Å; G210-T214 PolarHBondContact O-OG1 3.1Å; G210-T214 VanDerWaalsContact O-OG1 3.1Å
211	P	94.8	Very high	92.2	Very high	12 Å²	12	17.3 Å²	17.3	8%	0.078	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	-173.4	24.9	-34.8	0	0	0	113.6	D180 I183 P215 F587	D180-P211 VanDerWaalsContact OD1-CG 3.26Å; D180-P211 WeakPolarHBondContact OD1-CG 3.38Å; I183-P211 HydrophobicContact CG2-CB 4.48Å; P211-P215 VanDerWaalsContact O-CD 3.27Å; P211-P215 WeakPolarHBondContact O-CD 3.39Å; P211-P215 WeakPolarHBondContact O-CG 3.33Å; P211-F587 HydrophobicContact CB-CZ 4.44Å
212	C	96.3	Very high	93	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-34.7	169.8	-162.8	0	0	0	0	113.2	G210 T214 P215 T216 H515 R559	G210-C212 PolarHBondContact O-N 3.09Å; G210-C212 VanDerWaalsContact O-N 3.11Å; C212-T214 VanDerWaalsContact C-N 3.33Å; C212-T214 PolarHBondContact O-N 3.11Å; C212-P215 WeakPolarHBondContact O-CD 3.14Å; C212-T216 PolarHBondContact O-N 3.21Å; C212-T216 VanDerWaalsContact O-N 3.07Å; C212-T216 PolarHBondContact O-OG1 2.89Å; C212-H515 PolarHBondContact SG-CD2 3.39Å; C212-R559 HydrophobicContact CB-CG 4.06Å
213	Q	96.2	Very high	93.7	Very high	17 Å²	17	21.5 Å²	21.5	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-40.8	179.8	-176.8	-174.4	-38.9	0	0	112.3	G210 T216 L217 N518 I519	G210-Q213 PolarHBondContact O-N 3.21Å; Q213-T216 PolarHBondContact O-N 3.05Å; Q213-L217 PolarHBondContact O-N 2.98Å; Q213-N518 HydrophobicContact CG-CB 4.22Å; Q213-I519 HydrophobicContact CG-CG2 3.42Å; Q213-I519 VanDerWaalsContact CG-CG2 3.42Å
214	T	97.9	Very high	94.5	Very high	5 Å²	5	21 Å²	21	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-47.7	-178.3	-56.3	0	0	0	0	111.5	F209 G210 C212 T216 L217 G218 Y546 L553 V554	F209-T214 HydrophobicContact CD2-CG2 4.2Å; F209-T214 WeakPolarHBondContact CD2-OG1 3.32Å; F209-T214 HydrophobicContact CE2-CG2 3.94Å; F209-T214 WeakPolarHBondContact CE2-OG1 3.35Å; G210-T214 PolarHBondContact N-OG1 3.43Å; G210-T214 WeakPolarHBondContact O-CB 3.43Å; G210-T214 PolarHBondContact O-N 3.25Å; G210-T214 PolarHBondContact O-OG1 3.1Å; G210-T214 VanDerWaalsContact O-OG1 3.1Å; C212-T214 VanDerWaalsContact C-N 3.33Å; C212-T214 PolarHBondContact O-N 3.11Å; T214-T216 VanDerWaalsContact C-N 3.34Å; T214-T216 PolarHBondContact O-N 2.87Å; T214-L217 PolarHBondContact O-N 3.07Å; T214-G218 PolarHBondContact O-N 3.25Å; T214-Y546 HydrophobicContact CG2-CD2 3.69Å; T214-Y546 HydrophobicContact CG2-CE2 3.88Å; T214-Y546 HydrophobicContact CG2-CG 4.47Å; T214-L553 WeakPolarHBondContact CG2-O 3.37Å; T214-V554 HydrophobicContact CG2-CG2 4.12Å
215	P	98.2	Very high	94.9	Very high	5 Å²	5	23 Å²	23	3%	0.032	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-38.3	170.6	-28.2	35.5	0	0	0	114.8	P211 C212 L217 G218 F219 I506 V554 P556 R559	P211-P215 VanDerWaalsContact O-CD 3.27Å; P211-P215 WeakPolarHBondContact O-CD 3.39Å; P211-P215 WeakPolarHBondContact O-CG 3.33Å; C212-P215 WeakPolarHBondContact O-CD 3.14Å; P215-L217 PolarHBondContact O-N 3.42Å; P215-G218 WeakPolarHBondContact O-CA 3.44Å; P215-G218 PolarHBondContact O-N 3.47Å; P215-F219 PolarHBondContact O-N 3.18Å; P215-I506 HydrophobicContact CB-CD1 3.86Å; P215-V554 VanDerWaalsContact CA-O 3.23Å; P215-V554 WeakPolarHBondContact CA-O 3.38Å; P215-V554 WeakPolarHBondContact CB-O 3.3Å; P215-P556 HydrophobicContact CB-CB 4.46Å; P215-R559 HydrophobicContact CG-CB 4.49Å
216	T	98.4	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.6	-46.7	174.2	-61	0	0	0	0	111.3	C212 Q213 T214 G218 F219 L497 M501 I516 I519	C212-T216 PolarHBondContact O-N 3.21Å; C212-T216 VanDerWaalsContact O-N 3.07Å; C212-T216 PolarHBondContact O-OG1 2.89Å; Q213-T216 PolarHBondContact O-N 3.05Å; T214-T216 VanDerWaalsContact C-N 3.34Å; T214-T216 PolarHBondContact O-N 2.87Å; T216-G218 VanDerWaalsContact C-N 3.28Å; T216-G218 PolarHBondContact O-N 3.36Å; T216-F219 PolarHBondContact O-N 2.84Å; T216-L497 HydrophobicContact CG2-CD1 4.2Å; T216-L497 HydrophobicContact CG2-CD2 3.85Å; T216-L497 HydrophobicContact CG2-CG 4.3Å; T216-M501 HydrophobicContact CG2-CE 4.42Å; T216-M501 HydrophobicContact CG2-SD 3.6Å; T216-M501 VanDerWaalsContact CG2-SD 3.6Å; T216-M501 WeakPolarHBondContact OG1-CE 3.28Å; T216-M501 PolarHBondContact OG1-SD 3.43Å; T216-I516 HydrophobicContact CG2-CG1 4.27Å; T216-I519 HydrophobicContact CG2-CD1 4Å
217	L	98.7	Very high	96	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-62.8	-36.4	172.9	179.8	63.1	0	0	0	112	Q213 T214 P215 F219 C220 V221 I519 Y524 V525 V543	Q213-L217 PolarHBondContact O-N 2.98Å; T214-L217 PolarHBondContact O-N 3.07Å; P215-L217 PolarHBondContact O-N 3.42Å; L217-F219 VanDerWaalsContact C-N 3.26Å; L217-F219 PolarHBondContact O-N 3.16Å; L217-C220 WeakPolarHBondContact O-CB 3.31Å; L217-C220 PolarHBondContact O-N 2.91Å; L217-V221 HydrophobicContact CD1-CG2 4.29Å; L217-V221 HydrophobicContact CG-CG2 4.25Å; L217-V221 PolarHBondContact O-N 2.8Å; L217-I519 HydrophobicContact CB-CG2 4.07Å; L217-Y524 HydrophobicContact CD2-CD2 3.72Å; L217-Y524 HydrophobicContact CD2-CE2 4.49Å; L217-Y524 HydrophobicContact CD2-CG 4.02Å; L217-V525 HydrophobicContact CD1-CG1 3.7Å; L217-V543 HydrophobicContact CB-CG2 4.29Å; L217-V543 HydrophobicContact CD2-CG2 3.74Å; L217-V543 HydrophobicContact CG-CG2 3.65Å
218	G	98.3	Very high	95.8	Very high	6 Å²	6	27.2 Å²	27.2	6%	0.062	13%	0.132	C	C	.	.	H	α-helix	trans	-54.6	-38.1	177	0	0	0	0	0	113.5	T214 P215 T216 V221 K222	T214-G218 PolarHBondContact O-N 3.25Å; P215-G218 WeakPolarHBondContact O-CA 3.44Å; P215-G218 PolarHBondContact O-N 3.47Å; T216-G218 VanDerWaalsContact C-N 3.28Å; T216-G218 PolarHBondContact O-N 3.36Å; G218-V221 PolarHBondContact O-N 3.48Å; G218-K222 VanDerWaalsContact O-CB 3.24Å; G218-K222 WeakPolarHBondContact O-CB 3.38Å; G218-K222 PolarHBondContact O-N 3.36Å
219	F	98.7	Very high	95.3	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.096	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-43.8	174	-69.6	-55.2	0	0	0	112.5	P215 T216 L217 R223 L492 L497 A500 M501 H504 I506 P556	P215-F219 PolarHBondContact O-N 3.18Å; T216-F219 PolarHBondContact O-N 2.84Å; L217-F219 VanDerWaalsContact C-N 3.26Å; L217-F219 PolarHBondContact O-N 3.16Å; F219-R223 PolarHBondContact O-N 3.09Å; F219-R223 VanDerWaalsContact O-N 3.08Å; F219-L492 HydrophobicContact CB-CD1 3.87Å; F219-L492 WeakPolarHBondContact O-CD1 3.31Å; F219-L497 HydrophobicContact CB-CD1 3.66Å; F219-L497 HydrophobicContact CD2-CD1 3.85Å; F219-L497 HydrophobicContact CG-CD1 4.17Å; F219-A500 HydrophobicContact CD1-CB 4.22Å; F219-A500 HydrophobicContact CD2-CB 4.22Å; F219-A500 HydrophobicContact CE1-CB 4.35Å; F219-A500 HydrophobicContact CE2-CB 4.32Å; F219-A500 HydrophobicContact CG-CB 4.17Å; F219-A500 HydrophobicContact CZ-CB 4.4Å; F219-M501 HydrophobicContact CD2-CG 4.32Å; F219-M501 HydrophobicContact CE2-CG 4.15Å; F219-H504 AromaticContact CE1-CE1 3.67Å; F219-H504 AromaticContact CE1-ND1 3.67Å; F219-H504 HydrophobicContact CZ-CB 3.98Å; F219-H504 AromaticContact CZ-CE1 3.96Å; F219-H504 AromaticContact CZ-CG 3.67Å; F219-H504 AromaticContact CZ-ND1 3.47Å; F219-H504 WeakPolarHBondContact CZ-ND1 3.49Å; F219-I506 HydrophobicContact CE2-CD1 3.89Å; F219-I506 HydrophobicContact CE2-CG1 4.48Å; F219-P556 HydrophobicContact CE1-CG 4.4Å; F219-P556 HydrophobicContact CZ-CB 4.14Å; F219-P556 HydrophobicContact CZ-CG 3.96Å
220	C	98.7	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-44.1	178.3	-60.2	0	0	0	0	111.6	L217 R223 H224 V525 P535	L217-C220 WeakPolarHBondContact O-CB 3.31Å; L217-C220 PolarHBondContact O-N 2.91Å; C220-R223 PolarHBondContact O-N 2.86Å; C220-H224 PolarHBondContact O-N 2.83Å; C220-V525 HydrophobicContact CB-CG1 4.13Å; C220-P535 HydrophobicContact CB-CG 3.9Å; C220-P535 WeakPolarHBondContact O-CG 3.35Å
221	V	97.6	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.5	-40.8	178.5	176.9	0	0	0	0	111.3	L217 G218 R223 H224 D225 P535 I540 V543	L217-V221 HydrophobicContact CD1-CG2 4.29Å; L217-V221 HydrophobicContact CG-CG2 4.25Å; L217-V221 PolarHBondContact O-N 2.8Å; G218-V221 PolarHBondContact O-N 3.48Å; V221-R223 VanDerWaalsContact C-N 3.27Å; V221-R223 PolarHBondContact O-N 3.24Å; V221-H224 CarbonylContact O-C 3.58Å; V221-H224 WeakPolarHBondContact O-CA 3.5Å; V221-H224 VanDerWaalsContact O-CB 3.32Å; V221-H224 WeakPolarHBondContact O-CB 3.32Å; V221-H224 PolarHBondContact O-N 3.14Å; V221-D225 VanDerWaalsContact O-CG 3.28Å; V221-D225 PolarHBondContact O-N 2.96Å; V221-P535 HydrophobicContact CG2-CB 3.94Å; V221-P535 HydrophobicContact CG2-CG 3.97Å; V221-I540 HydrophobicContact CG2-CG1 4.48Å; V221-V543 HydrophobicContact CB-CB 3.93Å; V221-V543 HydrophobicContact CB-CG1 3.8Å; V221-V543 HydrophobicContact CB-CG2 4.06Å; V221-V543 HydrophobicContact CG1-CB 3.9Å; V221-V543 HydrophobicContact CG1-CG1 3.7Å; V221-V543 HydrophobicContact CG2-CB 3.86Å; V221-V543 HydrophobicContact CG2-CG1 4.3Å; V221-V543 HydrophobicContact CG2-CG2 3.68Å
222	K	97.1	Very high	94.5	Very high	124 Å²	124	44.3 Å²	44.3	54%	0.539	22%	0.219	S	C	.	.	H	α-helix	trans	-56.4	-42.3	172.9	-178.8	178.1	-179.1	176.7	0	111.9	G218 D225 Q226	G218-K222 VanDerWaalsContact O-CB 3.24Å; G218-K222 WeakPolarHBondContact O-CB 3.38Å; G218-K222 PolarHBondContact O-N 3.36Å; K222-D225 PolarHBondContact O-N 3.49Å; K222-Q226 VanDerWaalsContact O-CG 3.29Å; K222-Q226 WeakPolarHBondContact O-CG 3.2Å; K222-Q226 PolarHBondContact O-N 3.26Å; K222-Q226 VanDerWaalsContact O-N 3.08Å
223	R	97.7	Very high	94.4	Very high	43 Å²	43	49.9 Å²	49.9	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-41.5	174.5	179.3	63.2	72	72.7	-2.9	111.4	F219 C220 V221 D225 Q226 I227 D490 L492 E496	F219-R223 PolarHBondContact O-N 3.09Å; F219-R223 VanDerWaalsContact O-N 3.08Å; C220-R223 PolarHBondContact O-N 2.86Å; V221-R223 VanDerWaalsContact C-N 3.27Å; V221-R223 PolarHBondContact O-N 3.24Å; R223-D225 VanDerWaalsContact C-N 3.34Å; R223-D225 PolarHBondContact O-N 3.38Å; R223-Q226 WeakPolarHBondContact O-CB 3.18Å; R223-Q226 PolarHBondContact O-N 2.93Å; R223-I227 HydrophobicContact CG-CD1 4.2Å; R223-I227 VanDerWaalsContact O-CG1 3.26Å; R223-I227 WeakPolarHBondContact O-CG1 3.15Å; R223-I227 PolarHBondContact O-N 3.42Å; R223-I227 VanDerWaalsContact O-N 3.07Å; R223-D490 WeakPolarHBondContact CD-O 3.32Å; R223-D490 VanDerWaalsContact CG-O 3.23Å; R223-D490 WeakPolarHBondContact CG-O 3.38Å; R223-D490 PolarHBondContact NH1-O 2.99Å; R223-L492 HydrophobicContact CB-CD1 4.25Å; R223-L492 HydrophobicContact CB-CG 3.9Å; R223-L492 HydrophobicContact CG-CG 4.09Å; R223-E496 IonicContact CZ-OE1 3.23Å; R223-E496 IonicContact NH1-OE1 2.67Å; R223-E496 PolarHBondContact NH1-OE1 3.45Å; R223-E496 VanDerWaalsContact NH1-OE1 3.11Å; R223-E496 IonicContact NH1-OE2 3.69Å; R223-E496 IonicContact NH2-OE1 3.35Å; R223-E496 PolarHBondContact NH2-OE1 3.09Å
224	H	96.7	Very high	94.5	Very high	25 Å²	25	51.2 Å²	51.2	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-46.5	174.3	172.5	79.1	0	0	0	111.9	C220 V221 Q226 I227 Q228 Y491 P535 I540	C220-H224 PolarHBondContact O-N 2.83Å; V221-H224 CarbonylContact O-C 3.58Å; V221-H224 WeakPolarHBondContact O-CA 3.5Å; V221-H224 VanDerWaalsContact O-CB 3.32Å; V221-H224 WeakPolarHBondContact O-CB 3.32Å; V221-H224 PolarHBondContact O-N 3.14Å; H224-Q226 VanDerWaalsContact C-N 3.31Å; H224-Q226 PolarHBondContact O-N 3.12Å; H224-I227 WeakPolarHBondContact O-CA 3.49Å; H224-I227 WeakPolarHBondContact O-CB 3.39Å; H224-I227 PolarHBondContact O-N 2.76Å; H224-Q228 WeakPolarHBondContact NE2-CG 3.38Å; H224-Q228 WeakPolarHBondContact O-CG 3.47Å; H224-Q228 PolarHBondContact O-N 3.18Å; H224-Y491 HydrophobicContact CB-CE1 3.99Å; H224-Y491 AromaticContact ND1-CE1 3.63Å; H224-Y491 AromaticContact ND1-CZ 3.99Å; H224-Y491 PolarHBondContact ND1-OH 2.93Å; H224-P535 HydrophobicContact CB-CG 3.9Å; H224-I540 WeakPolarHBondContact NE2-CD1 3.32Å
225	D	88.6	Confident	94.5	Very high	46 Å²	46	52 Å²	52	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-38.4	179.4	-61.3	-23	0	0	0	111.8	V221 K222 R223 I227 Q228 S229 H544	V221-D225 VanDerWaalsContact O-CG 3.28Å; V221-D225 PolarHBondContact O-N 2.96Å; K222-D225 PolarHBondContact O-N 3.49Å; R223-D225 VanDerWaalsContact C-N 3.34Å; R223-D225 PolarHBondContact O-N 3.38Å; D225-I227 VanDerWaalsContact C-N 3.27Å; D225-I227 PolarHBondContact O-N 3.17Å; D225-Q228 PolarHBondContact O-N 3.25Å; D225-S229 WeakPolarHBondContact O-CB 3.39Å; D225-S229 PolarHBondContact O-N 2.99Å; D225-S229 PolarHBondContact O-OG 2.78Å; D225-H544 VanDerWaalsContact CG-NE2 3.26Å; D225-H544 IonicContact OD1-CE1 3.4Å; D225-H544 PolarHBondContact OD1-CE1 3.47Å; D225-H544 IonicContact OD1-NE2 3.53Å; D225-H544 PolarHBondContact OD1-NE2 3.06Å; D225-H544 IonicContact OD2-CD2 2.87Å; D225-H544 IonicContact OD2-CE1 2.8Å; D225-H544 IonicContact OD2-NE2 2.93Å; D225-H544 PolarHBondContact OD2-NE2 3.05Å
226	Q	92.8	Very high	94.5	Very high	88 Å²	88	53.2 Å²	53.2	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-36.4	172.6	-72.8	172	-19.6	0	0	112.2	K222 R223 H224 F230 P489	K222-Q226 VanDerWaalsContact O-CG 3.29Å; K222-Q226 WeakPolarHBondContact O-CG 3.2Å; K222-Q226 PolarHBondContact O-N 3.26Å; K222-Q226 VanDerWaalsContact O-N 3.08Å; R223-Q226 WeakPolarHBondContact O-CB 3.18Å; R223-Q226 PolarHBondContact O-N 2.93Å; H224-Q226 VanDerWaalsContact C-N 3.31Å; H224-Q226 PolarHBondContact O-N 3.12Å; Q226-F230 WeakPolarHBondContact O-CB 3.47Å; Q226-F230 PolarHBondContact O-N 3.18Å; Q226-P489 HydrophobicContact CB-CG 4.29Å
227	I	91.8	Very high	94.5	Very high	28 Å²	28	57.8 Å²	57.8	14%	0.144	28%	0.279	C	S	.	.	H	α-helix	trans	-70.4	-47.3	176.5	-64.1	168.7	0	0	0	110.5	R223 H224 D225 F230 P488 P489 Y491	R223-I227 HydrophobicContact CG-CD1 4.2Å; R223-I227 VanDerWaalsContact O-CG1 3.26Å; R223-I227 WeakPolarHBondContact O-CG1 3.15Å; R223-I227 PolarHBondContact O-N 3.42Å; R223-I227 VanDerWaalsContact O-N 3.07Å; H224-I227 WeakPolarHBondContact O-CA 3.49Å; H224-I227 WeakPolarHBondContact O-CB 3.39Å; H224-I227 PolarHBondContact O-N 2.76Å; D225-I227 VanDerWaalsContact C-N 3.27Å; D225-I227 PolarHBondContact O-N 3.17Å; I227-F230 WeakPolarHBondContact O-CB 3.39Å; I227-F230 PolarHBondContact O-N 3.31Å; I227-P488 HydrophobicContact CG2-CB 4.33Å; I227-P489 HydrophobicContact CG1-CG 4.01Å; I227-P489 VanDerWaalsContact CG1-O 3.26Å; I227-P489 WeakPolarHBondContact CG1-O 3.44Å; I227-Y491 HydrophobicContact CD1-CD1 3.75Å; I227-Y491 HydrophobicContact CD1-CD2 4.31Å; I227-Y491 HydrophobicContact CD1-CE1 3.82Å; I227-Y491 HydrophobicContact CD1-CE2 4.38Å; I227-Y491 HydrophobicContact CD1-CG 4Å
228	Q	85.5	Confident	94.4	Very high	124 Å²	124	57.9 Å²	57.9	58%	0.579	28%	0.279	S	S	*	.	H	α-helix	trans	-68.3	-36.6	-176.8	-64.4	-52.2	-63.2	0	0	112.8	H224 D225 F230	H224-Q228 WeakPolarHBondContact NE2-CG 3.38Å; H224-Q228 WeakPolarHBondContact O-CG 3.47Å; H224-Q228 PolarHBondContact O-N 3.18Å; D225-Q228 PolarHBondContact O-N 3.25Å; Q228-F230 VanDerWaalsContact C-N 3.34Å
229	S	84.3	Confident	94.2	Very high	87 Å²	87	61.4 Å²	61.4	61%	0.608	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.5	-179.9	61.4	0	0	0	0	113.8	D225 K231	D225-S229 WeakPolarHBondContact O-CB 3.39Å; D225-S229 PolarHBondContact O-N 2.99Å; D225-S229 PolarHBondContact O-OG 2.78Å; S229-K231 PolarHBondContact O-N 3.09Å
230	F	88.5	Confident	94.1	Very high	65 Å²	65	60.5 Å²	60.5	29%	0.285	29%	0.289	S	S	.	.			trans	-64.7	128.2	-179.9	-173.1	-99	0	0	0	111	Q226 I227 Q228 P232 T486 G487 P488	Q226-F230 WeakPolarHBondContact O-CB 3.47Å; Q226-F230 PolarHBondContact O-N 3.18Å; I227-F230 WeakPolarHBondContact O-CB 3.39Å; I227-F230 PolarHBondContact O-N 3.31Å; Q228-F230 VanDerWaalsContact C-N 3.34Å; F230-P232 HydrophobicContact CD1-CG 3.94Å; F230-P232 HydrophobicContact CE1-CB 4.08Å; F230-P232 HydrophobicContact CE1-CG 3.92Å; F230-T486 WeakPolarHBondContact CE1-O 3.39Å; F230-T486 WeakPolarHBondContact CZ-OG1 3.42Å; F230-G487 VanDerWaalsContact CZ-C 3.47Å; F230-G487 VanDerWaalsContact CZ-O 3.23Å; F230-G487 WeakPolarHBondContact CZ-O 3.44Å; F230-P488 HydrophobicContact CB-CB 3.86Å; F230-P488 HydrophobicContact CD1-CB 3.68Å; F230-P488 HydrophobicContact CD1-CG 4.33Å; F230-P488 HydrophobicContact CD2-CB 4.41Å; F230-P488 HydrophobicContact CE1-CB 4.32Å; F230-P488 VanDerWaalsContact CE1-N 3.33Å; F230-P488 HydrophobicContact CG-CB 3.73Å
231	K	88.6	Confident	94	Very high	176 Å²	176	60.8 Å²	60.8	77%	0.765	29%	0.291	S	S	*	.			trans	-108.6	107.7	173.5	-66.9	-176.4	-178.9	179.4	0	108.3	S229 E233	S229-K231 PolarHBondContact O-N 3.09Å; K231-E233 PolarHBondContact O-N 3.05Å
232	P	93.1	Very high	93.9	Very high	63 Å²	63	60.8 Å²	60.8	41%	0.409	29%	0.291	S	S	.	.			trans	-60.1	132.6	178.6	-24	34	0	0	0	111.8	F230 Q485	F230-P232 HydrophobicContact CD1-CG 3.94Å; F230-P232 HydrophobicContact CE1-CB 4.08Å; F230-P232 HydrophobicContact CE1-CG 3.92Å; P232-Q485 HydrophobicContact CB-CG 3.71Å
233	E	95.5	Very high	93.7	Very high	119 Å²	119	56.8 Å²	56.8	56%	0.556	28%	0.277	S	S	*	.			trans	-105.8	131.5	174.7	-66.6	-178.8	-118.2	0	0	109.7	K231 F260 T486	K231-E233 PolarHBondContact O-N 3.05Å; E233-F260 HydrophobicContact CB-CD1 3.84Å; E233-F260 HydrophobicContact CB-CE1 3.74Å; E233-T486 HydrophobicContact CB-CG2 4.43Å; E233-T486 PolarHBondContact N-OG1 2.72Å; E233-T486 PolarHBondContact O-N 2.58Å; E233-T486 PolarHBondContact O-OG1 3.05Å
234	T	98	Very high	93.3	Very high	46 Å²	46	55.6 Å²	55.6	28%	0.282	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.9	173.4	-54.9	0	0	0	0	109.2	W236 F260 E483 G484	T234-W236 HydrophobicContact CG2-CH2 3.61Å; T234-W236 HydrophobicContact CG2-CZ2 3.47Å; T234-W236 VanDerWaalsContact CG2-CZ2 3.47Å; T234-W236 HydrophobicContact CG2-CZ3 4.22Å; T234-F260 WeakPolarHBondContact O-CD1 3.43Å; T234-E483 HydrophobicContact CG2-CG 3.55Å; T234-G484 WeakPolarHBondContact CA-O 3.46Å
235	F	98	Very high	92.7	Very high	21 Å²	21	59.5 Å²	59.5	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.1	174.6	65	-98.6	0	0	0	110.5	R237 R258 I259 F260 G484 Q485 T486	F235-R237 HydrophobicContact CD2-CG 4.11Å; F235-R237 HydrophobicContact CE2-CG 4.1Å; F235-R258 HydrophobicContact CB-CB 4.22Å; F235-R258 HydrophobicContact CB-CG 4.45Å; F235-R258 HydrophobicContact CD2-CB 3.69Å; F235-R258 HydrophobicContact CD2-CG 4.3Å; F235-R258 HydrophobicContact CE2-CB 4.4Å; F235-R258 HydrophobicContact CG-CB 4.18Å; F235-R258 HydrophobicContact CG-CG 4.42Å; F235-I259 CarbonylContact C-O 3.52Å; F235-I259 WeakPolarHBondContact CA-O 3.5Å; F235-F260 HydrophobicContact CB-CD1 3.84Å; F235-F260 HydrophobicContact CB-CE1 3.83Å; F235-F260 HydrophobicContact CB-CG 4.26Å; F235-F260 HydrophobicContact CB-CZ 4.22Å; F235-F260 HydrophobicContact CD1-CE1 4.33Å; F235-G484 PolarHBondContact N-O 3.49Å; F235-G484 PolarHBondContact O-N 2.71Å; F235-G484 VanDerWaalsContact O-O 3.08Å; F235-Q485 VanDerWaalsContact CE1-C 3.43Å; F235-T486 HydrophobicContact CD1-CG2 3.9Å; F235-T486 HydrophobicContact CE1-CG2 4.08Å
236	W	98.3	Very high	92.6	Very high	31 Å²	31	62.7 Å²	62.7	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.9	177.9	-64.7	-86.9	0	0	0	110.9	T234 R258 I259 F260 K262 A265 L481 I482 E483	T234-W236 HydrophobicContact CG2-CH2 3.61Å; T234-W236 HydrophobicContact CG2-CZ2 3.47Å; T234-W236 VanDerWaalsContact CG2-CZ2 3.47Å; T234-W236 HydrophobicContact CG2-CZ3 4.22Å; W236-R258 WeakPolarHBondContact O-CA 3.38Å; W236-I259 PolarHBondContact N-O 2.87Å; W236-I259 PolarHBondContact O-N 2.81Å; W236-F260 WeakPolarHBondContact CZ3-O 3.49Å; W236-K262 HydrophobicContact CD2-CB 4.03Å; W236-K262 HydrophobicContact CD2-CG 4.29Å; W236-K262 HydrophobicContact CE3-CB 4.05Å; W236-K262 HydrophobicContact CH2-CB 3.71Å; W236-K262 HydrophobicContact CZ2-CB 3.67Å; W236-K262 HydrophobicContact CZ2-CD 3.92Å; W236-K262 HydrophobicContact CZ2-CG 3.99Å; W236-K262 HydrophobicContact CZ3-CB 3.9Å; W236-A265 HydrophobicContact CB-CB 3.74Å; W236-A265 HydrophobicContact CG-CB 4.42Å; W236-L481 HydrophobicContact CB-CD1 3.92Å; W236-L481 HydrophobicContact CB-CD2 3.94Å; W236-L481 HydrophobicContact CB-CG 3.87Å; W236-L481 HydrophobicContact CG-CD2 3.85Å; W236-L481 HydrophobicContact CG-CG 4.17Å; W236-I482 CarbonylContact C-O 3.55Å; W236-I482 VanDerWaalsContact CA-O 3.28Å; W236-I482 WeakPolarHBondContact CA-O 3.2Å; W236-E483 PolarHBondContact NE1-OE2 2.77Å
237	R	97.3	Very high	92.2	Very high	96 Å²	96	61 Å²	61	36%	0.362	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.7	173.7	-62.5	-164.7	165.4	144.4	-1.9	109.9	F235 D257 R258 I482	F235-R237 HydrophobicContact CD2-CG 4.11Å; F235-R237 HydrophobicContact CE2-CG 4.1Å; R237-D257 WeakPolarHBondContact CD-O 3.28Å; R237-D257 WeakPolarHBondContact CG-O 3.34Å; R237-D257 IonicContact CZ-OD1 2.69Å; R237-D257 PolarHBondContact NE-O 3.25Å; R237-D257 VanDerWaalsContact NE-O 3.1Å; R237-D257 IonicContact NE-OD1 3.78Å; R237-D257 PolarHBondContact NE-OD1 3.46Å; R237-D257 VanDerWaalsContact NE-OD1 3.13Å; R237-D257 IonicContact NH2-OD1 3.13Å; R237-D257 PolarHBondContact NH2-OD1 3.34Å; R237-D257 IonicContact NH2-OD2 3.59Å; R237-R258 HydrophobicContact CG-CB 3.76Å; R237-I482 PolarHBondContact N-O 3.02Å; R237-I482 PolarHBondContact O-N 3.02Å
238	I	96.6	Very high	92.2	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.2	169.1	-56.7	179	0	0	0	108.3	V240 W254 F268 L269 V272 F436 P479 S480 L481	I238-V240 HydrophobicContact CG2-CG2 3.9Å; I238-W254 HydrophobicContact CB-CD2 4.15Å; I238-W254 HydrophobicContact CB-CE3 4.29Å; I238-W254 HydrophobicContact CB-CG 4.47Å; I238-W254 HydrophobicContact CD1-CD2 4.38Å; I238-W254 HydrophobicContact CD1-CH2 3.86Å; I238-W254 HydrophobicContact CD1-CZ2 3.46Å; I238-W254 VanDerWaalsContact CD1-CZ2 3.46Å; I238-W254 HydrophobicContact CD1-CZ3 4.5Å; I238-W254 HydrophobicContact CG1-CD2 4.2Å; I238-W254 HydrophobicContact CG1-CE3 4.18Å; I238-W254 HydrophobicContact CG1-CH2 3.83Å; I238-W254 HydrophobicContact CG1-CZ2 3.88Å; I238-W254 HydrophobicContact CG1-CZ3 4.01Å; I238-F268 HydrophobicContact CD1-CB 3.76Å; I238-L269 HydrophobicContact CG2-CD1 4.43Å; I238-V272 HydrophobicContact CD1-CG2 4.29Å; I238-V272 HydrophobicContact CG2-CG2 4.03Å; I238-F436 HydrophobicContact CB-CE1 4.25Å; I238-F436 HydrophobicContact CB-CZ 4.24Å; I238-F436 HydrophobicContact CG2-CE1 4.16Å; I238-F436 HydrophobicContact CG2-CZ 3.92Å; I238-P479 HydrophobicContact CG2-CB 4.41Å; I238-S480 CarbonylContact C-O 3.59Å; I238-S480 WeakPolarHBondContact CA-O 3.48Å; I238-L481 HydrophobicContact CG1-CD1 4.01Å
239	K	95.9	Very high	92.5	Very high	80 Å²	80	59.4 Å²	59.4	35%	0.348	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.8	172.3	-169.5	-157.7	-174.9	-160.6	0	109.3	E477 S480 I482	K239-E477 IonicContact NZ-OE1 3.73Å; K239-E477 PolarHBondContact NZ-OE1 2.8Å; K239-S480 PolarHBondContact N-O 2.85Å; K239-S480 PolarHBondContact O-N 3.26Å; K239-I482 HydrophobicContact CB-CD1 3.57Å; K239-I482 HydrophobicContact CB-CG1 3.73Å; K239-I482 HydrophobicContact CD-CD1 3.86Å; K239-I482 HydrophobicContact CD-CG1 4.46Å; K239-I482 HydrophobicContact CG-CD1 3.82Å; K239-I482 HydrophobicContact CG-CG1 4.46Å
240	V	95.7	Very high	93	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.9	172	-174.5	0	0	0	0	108.2	I238 M252 V430 F436 L475 P479	I238-V240 HydrophobicContact CG2-CG2 3.9Å; V240-M252 HydrophobicContact CB-SD 4.11Å; V240-M252 HydrophobicContact CG1-CE 4.03Å; V240-M252 HydrophobicContact CG1-SD 3.63Å; V240-M252 WeakPolarHBondContact O-CB 3.27Å; V240-M252 PolarHBondContact O-N 3.26Å; V240-V430 HydrophobicContact CG1-CG2 4.34Å; V240-F436 HydrophobicContact CB-CD1 4.23Å; V240-F436 HydrophobicContact CB-CE1 4.03Å; V240-F436 HydrophobicContact CB-CZ 4.4Å; V240-F436 HydrophobicContact CG2-CD1 4.13Å; V240-F436 HydrophobicContact CG2-CE1 3.45Å; V240-F436 VanDerWaalsContact CG2-CE1 3.45Å; V240-F436 HydrophobicContact CG2-CE2 4.14Å; V240-F436 HydrophobicContact CG2-CZ 3.47Å; V240-F436 VanDerWaalsContact CG2-CZ 3.47Å; V240-L475 HydrophobicContact CG1-CD1 4.27Å; V240-L475 HydrophobicContact CG1-CD2 3.55Å; V240-P479 HydrophobicContact CG2-CB 4Å; V240-P479 HydrophobicContact CG2-CG 4.14Å
241	S	95.7	Very high	93.2	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.7	171.8	-62.6	0	0	0	0	109.1	L250 L476	S241-L250 CarbonylContact C-O 3.55Å; S241-L250 WeakPolarHBondContact CA-O 3.39Å; S241-L476 PolarHBondContact O-N 2.96Å
242	G	95.3	Very high	93.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	177.3	175	0	0	0	0	0	112.5	L250 N474	G242-L250 PolarHBondContact N-O 3.1Å; G242-L250 PolarHBondContact O-N 3.34Å; G242-N474 WeakPolarHBondContact CA-O 3.4Å
243	V	94.3	Very high	93.6	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.236	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	171.1	172.4	0	0	0	0	108.9	G248 N474 L476	V243-G248 WeakPolarHBondContact CA-O 3.38Å; V243-N474 PolarHBondContact N-O 3.32Å; V243-L476 HydrophobicContact CG2-CB 4.03Å; V243-L476 HydrophobicContact CG2-CD1 3.4Å; V243-L476 HydrophobicContact CG2-CG 4.26Å
244	D	88.4	Confident	93.7	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.102	27%	0.268	C	S	.	.			trans	-79.8	177.9	172.7	69.2	30.5	0	0	0	112.7	T246 G247 G248 L250 P463	D244-T246 PolarHBondContact O-N 3.24Å; D244-T246 VanDerWaalsContact O-N 3.13Å; D244-T246 VanDerWaalsContact OD1-CA 3.27Å; D244-T246 WeakPolarHBondContact OD1-CA 3.41Å; D244-T246 WeakPolarHBondContact OD1-CB 3.48Å; D244-T246 PolarHBondContact OD1-N 2.82Å; D244-T246 PolarHBondContact OD1-OG1 3.34Å; D244-T246 PolarHBondContact OD2-OG1 2.95Å; D244-G247 PolarHBondContact O-N 3.46Å; D244-G247 VanDerWaalsContact O-N 3.13Å; D244-G247 PolarHBondContact OD1-N 3.38Å; D244-G247 VanDerWaalsContact OD1-N 3.07Å; D244-G248 PolarHBondContact N-O 3.07Å; D244-G248 WeakPolarHBondContact OD1-CA 3.37Å; D244-G248 PolarHBondContact OD1-N 3.11Å; D244-L250 HydrophobicContact CB-CD1 3.97Å; D244-L250 HydrophobicContact CB-CD2 4.18Å; D244-L250 HydrophobicContact CB-CG 4.09Å; D244-P463 HydrophobicContact CB-CB 4.35Å; D244-P463 HydrophobicContact CB-CG 3.78Å; D244-P463 WeakPolarHBondContact OD2-CG 3.32Å
245	D	85.4	Confident	93.6	Very high	106 Å²	106	48.8 Å²	48.8	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.3	179.3	52.9	-49.4	0	0	0	114.6	S465	D245-S465 PolarHBondContact OD1-OG 2.81Å
246	T	85.1	Confident	93.5	Very high	114 Å²	114	53.4 Å²	53.4	70%	0.699	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.1	177.6	72.2	0	0	0	0	113.6	D244	D244-T246 PolarHBondContact O-N 3.24Å; D244-T246 VanDerWaalsContact O-N 3.13Å; D244-T246 VanDerWaalsContact OD1-CA 3.27Å; D244-T246 WeakPolarHBondContact OD1-CA 3.41Å; D244-T246 WeakPolarHBondContact OD1-CB 3.48Å; D244-T246 PolarHBondContact OD1-N 2.82Å; D244-T246 PolarHBondContact OD1-OG1 3.34Å; D244-T246 PolarHBondContact OD2-OG1 2.95Å
247	G	86	Confident	93.4	Very high	53 Å²	53	55.6 Å²	55.6	55%	0.546	31%	0.305	S	S	.	.	S	Bend	trans	85.9	5.5	-173	0	0	0	0	0	114.1	D244	D244-G247 PolarHBondContact O-N 3.46Å; D244-G247 VanDerWaalsContact O-N 3.13Å; D244-G247 PolarHBondContact OD1-N 3.38Å; D244-G247 VanDerWaalsContact OD1-N 3.07Å
248	G	89.8	Confident	93.3	Very high	25 Å²	25	55.3 Å²	55.3	26%	0.258	30%	0.304	S	S	.	.			trans	-71.7	141.4	177	0	0	0	0	0	112.2	V243 D244	V243-G248 WeakPolarHBondContact CA-O 3.38Å; D244-G248 PolarHBondContact N-O 3.07Å; D244-G248 WeakPolarHBondContact OD1-CA 3.37Å; D244-G248 PolarHBondContact OD1-N 3.11Å
249	V	93	Very high	93.3	Very high	92 Å²	92	56.5 Å²	56.5	56%	0.558	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.1	179.1	-179.7	0	0	0	0	110.3	L476	V249-L476 HydrophobicContact CG1-CD2 4.27Å; V249-L476 HydrophobicContact CG2-CD2 4.26Å
250	L	93.8	Very high	93.4	Very high	11 Å²	11	57 Å²	57	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	100.5	175.7	-61.4	176.8	0	0	0	110.1	S241 G242 D244 I438 L466 F473	S241-L250 CarbonylContact C-O 3.55Å; S241-L250 WeakPolarHBondContact CA-O 3.39Å; G242-L250 PolarHBondContact N-O 3.1Å; G242-L250 PolarHBondContact O-N 3.34Å; D244-L250 HydrophobicContact CB-CD1 3.97Å; D244-L250 HydrophobicContact CB-CD2 4.18Å; D244-L250 HydrophobicContact CB-CG 4.09Å; L250-I438 HydrophobicContact CB-CD1 4.25Å; L250-I438 HydrophobicContact CD1-CD1 4.31Å; L250-L466 HydrophobicContact CD1-CD1 3.82Å; L250-L466 HydrophobicContact CD1-CD2 3.95Å; L250-L466 HydrophobicContact CD1-CG 4.33Å; L250-L466 HydrophobicContact CD2-CD1 3.7Å; L250-L466 HydrophobicContact CG-CD1 4.41Å; L250-F473 HydrophobicContact CD1-CD2 3.88Å; L250-F473 HydrophobicContact CD1-CE2 3.73Å; L250-F473 HydrophobicContact CD1-CG 4.46Å; L250-F473 HydrophobicContact CD1-CZ 4.23Å
251	E	92.5	Very high	93.5	Very high	138 Å²	138	60.6 Å²	60.6	65%	0.645	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.1	170.6	-73.1	-168.1	153.4	0	0	111
252	M	95	Very high	93.6	Very high	17 Å²	17	65.7 Å²	65.7	8%	0.084	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.4	180	-45	-174.8	-170.1	0	0	111.3	V240 A278 V428 V430 F436 I438 F473 L475	V240-M252 HydrophobicContact CB-SD 4.11Å; V240-M252 HydrophobicContact CG1-CE 4.03Å; V240-M252 HydrophobicContact CG1-SD 3.63Å; V240-M252 WeakPolarHBondContact O-CB 3.27Å; V240-M252 PolarHBondContact O-N 3.26Å; M252-A278 HydrophobicContact CE-CB 4.11Å; M252-V428 HydrophobicContact SD-CG2 3.66Å; M252-V430 HydrophobicContact SD-CG2 4.46Å; M252-F436 HydrophobicContact CB-CB 3.8Å; M252-F436 HydrophobicContact CB-CD1 4.17Å; M252-F436 HydrophobicContact CB-CG 4.3Å; M252-F436 HydrophobicContact SD-CB 4.23Å; M252-I438 HydrophobicContact CB-CG1 4.49Å; M252-I438 HydrophobicContact CG-CD1 4.28Å; M252-I438 HydrophobicContact CG-CG1 4.01Å; M252-F473 HydrophobicContact CE-CD2 4.45Å; M252-F473 HydrophobicContact CE-CE2 3.23Å; M252-F473 HydrophobicContact CE-CZ 3.5Å; M252-F473 VanDerWaalsContact CE-CZ 3.5Å; M252-L475 HydrophobicContact CE-CD2 4.01Å
253	S	95.8	Very high	93.6	Very high	76 Å²	76	72.9 Å²	72.9	53%	0.531	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.2	174.2	-54.5	0	0	0	0	109.5	N255 F436 T437	S253-N255 PolarHBondContact O-N 3.5Å; S253-F436 CarbonylContact O-C 3.45Å; S253-F436 VanDerWaalsContact O-CA 3.27Å; S253-F436 WeakPolarHBondContact O-CA 3.37Å; S253-T437 PolarHBondContact N-O 2.75Å; S253-T437 PolarHBondContact O-N 3.12Å
254	W	96.9	Very high	93.8	Very high	15 Å²	15	72.8 Å²	72.8	6%	0.057	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.3	176.7	-173	32.8	0	0	0	111	I238 R256 D257 I259 F268 E434 F436	I238-W254 HydrophobicContact CB-CD2 4.15Å; I238-W254 HydrophobicContact CB-CE3 4.29Å; I238-W254 HydrophobicContact CB-CG 4.47Å; I238-W254 HydrophobicContact CD1-CD2 4.38Å; I238-W254 HydrophobicContact CD1-CH2 3.86Å; I238-W254 HydrophobicContact CD1-CZ2 3.46Å; I238-W254 VanDerWaalsContact CD1-CZ2 3.46Å; I238-W254 HydrophobicContact CD1-CZ3 4.5Å; I238-W254 HydrophobicContact CG1-CD2 4.2Å; I238-W254 HydrophobicContact CG1-CE3 4.18Å; I238-W254 HydrophobicContact CG1-CH2 3.83Å; I238-W254 HydrophobicContact CG1-CZ2 3.88Å; I238-W254 HydrophobicContact CG1-CZ3 4.01Å; W254-R256 HydrophobicContact CD2-CB 3.93Å; W254-R256 HydrophobicContact CD2-CG 4.49Å; W254-R256 HydrophobicContact CE3-CB 4.24Å; W254-R256 HydrophobicContact CG-CB 4.47Å; W254-R256 HydrophobicContact CH2-CB 4.4Å; W254-R256 HydrophobicContact CZ2-CB 4.06Å; W254-R256 HydrophobicContact CZ2-CG 4.15Å; W254-R256 HydrophobicContact CZ3-CB 4.46Å; W254-R256 PolarHBondContact O-N 3.25Å; W254-R256 VanDerWaalsContact O-N 3.13Å; W254-D257 WeakPolarHBondContact O-CA 3.43Å; W254-D257 PolarHBondContact O-N 2.96Å; W254-I259 HydrophobicContact CH2-CD1 3.41Å; W254-I259 VanDerWaalsContact CH2-CD1 3.41Å; W254-I259 HydrophobicContact CH2-CG1 3.72Å; W254-I259 HydrophobicContact CZ2-CD1 4.09Å; W254-I259 HydrophobicContact CZ3-CD1 4.15Å; W254-I259 HydrophobicContact CZ3-CG1 3.93Å; W254-F268 HydrophobicContact CH2-CB 4.29Å; W254-F268 HydrophobicContact CH2-CD2 4.41Å; W254-F268 HydrophobicContact CZ2-CB 3.81Å; W254-F268 HydrophobicContact CZ2-CD2 4.25Å; W254-F268 HydrophobicContact CZ2-CG 4.04Å; W254-E434 PolarHBondContact NE1-OE2 2.84Å; W254-F436 VanDerWaalsContact CA-CD1 3.45Å; W254-F436 HydrophobicContact CB-CD1 3.83Å; W254-F436 HydrophobicContact CB-CE1 3.65Å; W254-F436 AromaticContact CD1-CE1 3.63Å; W254-F436 AromaticContact CD1-CZ 3.68Å; W254-F436 HydrophobicContact CG-CD1 4.3Å; W254-F436 AromaticContact CG-CE1 3.82Å; W254-F436 HydrophobicContact CG-CE1 3.82Å; W254-F436 HydrophobicContact CG-CZ 4.24Å
255	N	96.6	Very high	94.2	Very high	76 Å²	76	71.9 Å²	71.9	41%	0.406	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.4	-173.9	-80.7	29.5	0	0	0	113.8	S253 L435 F436 T437	S253-N255 PolarHBondContact O-N 3.5Å; N255-L435 HydrophobicContact CB-CB 4.18Å; N255-L435 WeakPolarHBondContact CB-O 3.41Å; N255-L435 PolarHBondContact N-O 3.24Å; N255-F436 WeakPolarHBondContact OD1-CA 3.25Å; N255-T437 PolarHBondContact OD1-N 3.32Å; N255-T437 VanDerWaalsContact OD1-N 3.16Å; N255-T437 PolarHBondContact OD1-OG1 2.86Å
256	R	95.2	Very high	94.7	Very high	119 Å²	119	68.7 Å²	68.7	45%	0.449	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.8	172.6	-56.6	-174.8	-172.7	-86.4	0.4	113	W254 R258 F268 E434	W254-R256 HydrophobicContact CD2-CB 3.93Å; W254-R256 HydrophobicContact CD2-CG 4.49Å; W254-R256 HydrophobicContact CE3-CB 4.24Å; W254-R256 HydrophobicContact CG-CB 4.47Å; W254-R256 HydrophobicContact CH2-CB 4.4Å; W254-R256 HydrophobicContact CZ2-CB 4.06Å; W254-R256 HydrophobicContact CZ2-CG 4.15Å; W254-R256 HydrophobicContact CZ3-CB 4.46Å; W254-R256 PolarHBondContact O-N 3.25Å; W254-R256 VanDerWaalsContact O-N 3.13Å; R256-R258 PolarHBondContact O-N 2.95Å; R256-F268 VanDerWaalsContact CZ-CE1 3.42Å; R256-F268 VanDerWaalsContact NH2-CE1 3.35Å; R256-E434 IonicContact CZ-OE1 2.75Å; R256-E434 IonicContact CZ-OE2 3.2Å; R256-E434 IonicContact NE-OE1 3.44Å; R256-E434 PolarHBondContact NE-OE1 3.05Å; R256-E434 IonicContact NE-OE2 2.76Å; R256-E434 PolarHBondContact NE-OE2 2.9Å; R256-E434 IonicContact NH2-OE1 3.19Å; R256-E434 PolarHBondContact NH2-OE1 2.6Å; R256-E434 IonicContact NH2-OE2 3.45Å
257	D	96.2	Very high	95.2	Very high	76 Å²	76	66.9 Å²	66.9	41%	0.406	36%	0.36	S	S	.	.			trans	58.5	-74.9	-170.2	179.1	28.6	0	0	0	112.9	R237 W254	R237-D257 WeakPolarHBondContact CD-O 3.28Å; R237-D257 WeakPolarHBondContact CG-O 3.34Å; R237-D257 IonicContact CZ-OD1 2.69Å; R237-D257 PolarHBondContact NE-O 3.25Å; R237-D257 VanDerWaalsContact NE-O 3.1Å; R237-D257 IonicContact NE-OD1 3.78Å; R237-D257 PolarHBondContact NE-OD1 3.46Å; R237-D257 VanDerWaalsContact NE-OD1 3.13Å; R237-D257 IonicContact NH2-OD1 3.13Å; R237-D257 PolarHBondContact NH2-OD1 3.34Å; R237-D257 IonicContact NH2-OD2 3.59Å; W254-D257 WeakPolarHBondContact O-CA 3.43Å; W254-D257 PolarHBondContact O-N 2.96Å
258	R	96	Very high	95.7	Very high	91 Å²	91	66.2 Å²	66.2	34%	0.343	34%	0.341	S	S	.	.			trans	-154.4	155.2	-177.5	60.2	-173.2	162.5	175.8	2.9	111.7	F235 W236 R237 R256 F260	F235-R258 HydrophobicContact CB-CB 4.22Å; F235-R258 HydrophobicContact CB-CG 4.45Å; F235-R258 HydrophobicContact CD2-CB 3.69Å; F235-R258 HydrophobicContact CD2-CG 4.3Å; F235-R258 HydrophobicContact CE2-CB 4.4Å; F235-R258 HydrophobicContact CG-CB 4.18Å; F235-R258 HydrophobicContact CG-CG 4.42Å; W236-R258 WeakPolarHBondContact O-CA 3.38Å; R237-R258 HydrophobicContact CG-CB 3.76Å; R256-R258 PolarHBondContact O-N 2.95Å; R258-F260 HydrophobicContact CG-CE2 4.18Å
259	I	97.5	Very high	96	Very high	30 Å²	30	66 Å²	66	15%	0.154	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-124.7	138.1	175.7	-59.5	-173.5	0	0	0	109.4	F235 W236 W254 D261 A264 A265 F268	F235-I259 CarbonylContact C-O 3.52Å; F235-I259 WeakPolarHBondContact CA-O 3.5Å; W236-I259 PolarHBondContact N-O 2.87Å; W236-I259 PolarHBondContact O-N 2.81Å; W254-I259 HydrophobicContact CH2-CD1 3.41Å; W254-I259 VanDerWaalsContact CH2-CD1 3.41Å; W254-I259 HydrophobicContact CH2-CG1 3.72Å; W254-I259 HydrophobicContact CZ2-CD1 4.09Å; W254-I259 HydrophobicContact CZ3-CD1 4.15Å; W254-I259 HydrophobicContact CZ3-CG1 3.93Å; I259-D261 HydrophobicContact CG2-CB 4.37Å; I259-A264 HydrophobicContact CG2-CB 4.15Å; I259-A265 HydrophobicContact CB-CB 4.21Å; I259-A265 HydrophobicContact CG2-CB 4.36Å; I259-F268 HydrophobicContact CD1-CD2 3.39Å; I259-F268 HydrophobicContact CD1-CE2 3.48Å; I259-F268 VanDerWaalsContact CD1-CE2 3.48Å; I259-F268 HydrophobicContact CD1-CG 4.5Å
260	F	97.5	Very high	96.1	Very high	91 Å²	91	67 Å²	67	40%	0.399	34%	0.336	S	S	.	.	S	Bend	trans	-93.6	6.2	-177.1	-70.6	-92.1	0	0	0	114.1	E233 T234 F235 W236 R258 T486	E233-F260 HydrophobicContact CB-CD1 3.84Å; E233-F260 HydrophobicContact CB-CE1 3.74Å; T234-F260 WeakPolarHBondContact O-CD1 3.43Å; F235-F260 HydrophobicContact CB-CD1 3.84Å; F235-F260 HydrophobicContact CB-CE1 3.83Å; F235-F260 HydrophobicContact CB-CG 4.26Å; F235-F260 HydrophobicContact CB-CZ 4.22Å; F235-F260 HydrophobicContact CD1-CE1 4.33Å; W236-F260 WeakPolarHBondContact CZ3-O 3.49Å; R258-F260 HydrophobicContact CG-CE2 4.18Å; F260-T486 HydrophobicContact CE1-CG2 3.97Å; F260-T486 HydrophobicContact CZ-CG2 4.28Å
261	D	97.6	Very high	96.1	Very high	78 Å²	78	71.7 Å²	71.7	42%	0.417	35%	0.353	S	S	.	.			trans	-122.1	123	176.9	-178.2	-83.9	0	0	0	109.7	I259 E263 A264 A265	I259-D261 HydrophobicContact CG2-CB 4.37Å; D261-E263 PolarHBondContact O-N 2.92Å; D261-E263 WeakPolarHBondContact OD1-CB 3.08Å; D261-E263 PolarHBondContact OD1-N 3.46Å; D261-A264 HydrophobicContact CB-CB 4.01Å; D261-A264 WeakPolarHBondContact OD1-CB 3.4Å; D261-A264 PolarHBondContact OD1-N 3.44Å; D261-A265 VanDerWaalsContact O-CB 3.29Å; D261-A265 WeakPolarHBondContact O-CB 3.24Å; D261-A265 PolarHBondContact O-N 2.9Å
262	K	97	Very high	96.3	Very high	113 Å²	113	65.1 Å²	65.1	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-36.6	-174.2	-173	172.5	179.3	172.4	0	112.6	W236 A265 S266	W236-K262 HydrophobicContact CD2-CB 4.03Å; W236-K262 HydrophobicContact CD2-CG 4.29Å; W236-K262 HydrophobicContact CE3-CB 4.05Å; W236-K262 HydrophobicContact CH2-CB 3.71Å; W236-K262 HydrophobicContact CZ2-CB 3.67Å; W236-K262 HydrophobicContact CZ2-CD 3.92Å; W236-K262 HydrophobicContact CZ2-CG 3.99Å; W236-K262 HydrophobicContact CZ3-CB 3.9Å; K262-A265 PolarHBondContact O-N 2.87Å; K262-S266 WeakPolarHBondContact O-CB 3.31Å; K262-S266 PolarHBondContact O-N 3.02Å; K262-S266 PolarHBondContact O-OG 3.47Å
263	E	97	Very high	96.2	Very high	152 Å²	152	68.3 Å²	68.3	71%	0.71	34%	0.336	S	S	*	.	H	α-helix	trans	-72.3	-46.6	-175.9	-68	157.9	-171.9	0	0	109.6	D261 A265 S266 V267	D261-E263 PolarHBondContact O-N 2.92Å; D261-E263 WeakPolarHBondContact OD1-CB 3.08Å; D261-E263 PolarHBondContact OD1-N 3.46Å; E263-A265 VanDerWaalsContact C-N 3.33Å; E263-A265 PolarHBondContact O-N 2.95Å; E263-S266 WeakPolarHBondContact O-CB 3.44Å; E263-S266 PolarHBondContact O-N 3.37Å; E263-S266 VanDerWaalsContact O-N 3.14Å; E263-V267 WeakPolarHBondContact O-CG2 3.4Å; E263-V267 PolarHBondContact O-N 3.33Å
264	A	96.7	Very high	96.1	Very high	36 Å²	36	69.7 Å²	69.7	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-57.9	-45.3	171.2	0	0	0	0	0	111.3	I259 D261 S266 V267 F268	I259-A264 HydrophobicContact CG2-CB 4.15Å; D261-A264 HydrophobicContact CB-CB 4.01Å; D261-A264 WeakPolarHBondContact OD1-CB 3.4Å; D261-A264 PolarHBondContact OD1-N 3.44Å; A264-S266 VanDerWaalsContact C-N 3.3Å; A264-S266 PolarHBondContact O-N 3.02Å; A264-V267 WeakPolarHBondContact O-CB 3.33Å; A264-V267 PolarHBondContact O-N 3.24Å; A264-F268 WeakPolarHBondContact O-CD2 3.13Å; A264-F268 PolarHBondContact O-N 2.88Å
265	A	96.7	Very high	96	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-35.3	177.1	0	0	0	0	0	112.6	W236 I259 D261 K262 E263 F268 L269 L481	W236-A265 HydrophobicContact CB-CB 3.74Å; W236-A265 HydrophobicContact CG-CB 4.42Å; I259-A265 HydrophobicContact CB-CB 4.21Å; I259-A265 HydrophobicContact CG2-CB 4.36Å; D261-A265 VanDerWaalsContact O-CB 3.29Å; D261-A265 WeakPolarHBondContact O-CB 3.24Å; D261-A265 PolarHBondContact O-N 2.9Å; K262-A265 PolarHBondContact O-N 2.87Å; E263-A265 VanDerWaalsContact C-N 3.33Å; E263-A265 PolarHBondContact O-N 2.95Å; A265-F268 PolarHBondContact O-N 2.99Å; A265-L269 PolarHBondContact O-N 2.8Å; A265-L481 HydrophobicContact CB-CD1 3.89Å; A265-L481 HydrophobicContact CB-CD2 4.18Å
266	S	96	Very high	95.9	Very high	39 Å²	39	72.7 Å²	72.7	27%	0.273	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-34.7	175.3	-58.8	0	0	0	0	112.6	K262 E263 A264 F268 L269 N270	K262-S266 WeakPolarHBondContact O-CB 3.31Å; K262-S266 PolarHBondContact O-N 3.02Å; K262-S266 PolarHBondContact O-OG 3.47Å; E263-S266 WeakPolarHBondContact O-CB 3.44Å; E263-S266 PolarHBondContact O-N 3.37Å; E263-S266 VanDerWaalsContact O-N 3.14Å; A264-S266 VanDerWaalsContact C-N 3.3Å; A264-S266 PolarHBondContact O-N 3.02Å; S266-F268 VanDerWaalsContact C-N 3.31Å; S266-F268 PolarHBondContact O-N 2.66Å; S266-L269 PolarHBondContact O-N 2.75Å; S266-N270 VanDerWaalsContact O-CG 3.27Å; S266-N270 PolarHBondContact O-N 3.02Å; S266-N270 PolarHBondContact O-ND2 3.01Å
267	V	96.1	Very high	95.9	Very high	77 Å²	77	69.9 Å²	69.9	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-44	172.1	170.9	0	0	0	0	110.5	E263 A264 N270	E263-V267 WeakPolarHBondContact O-CG2 3.4Å; E263-V267 PolarHBondContact O-N 3.33Å; A264-V267 WeakPolarHBondContact O-CB 3.33Å; A264-V267 PolarHBondContact O-N 3.24Å; V267-N270 PolarHBondContact O-N 2.97Å
268	F	96.6	Very high	95.9	Very high	38 Å²	38	66.3 Å²	66.3	17%	0.167	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-38.3	175.6	-68.5	-67	0	0	0	112.8	I238 W254 R256 I259 A264 A265 S266 N270 R271 E434	I238-F268 HydrophobicContact CD1-CB 3.76Å; W254-F268 HydrophobicContact CH2-CB 4.29Å; W254-F268 HydrophobicContact CH2-CD2 4.41Å; W254-F268 HydrophobicContact CZ2-CB 3.81Å; W254-F268 HydrophobicContact CZ2-CD2 4.25Å; W254-F268 HydrophobicContact CZ2-CG 4.04Å; R256-F268 VanDerWaalsContact CZ-CE1 3.42Å; R256-F268 VanDerWaalsContact NH2-CE1 3.35Å; I259-F268 HydrophobicContact CD1-CD2 3.39Å; I259-F268 HydrophobicContact CD1-CE2 3.48Å; I259-F268 VanDerWaalsContact CD1-CE2 3.48Å; I259-F268 HydrophobicContact CD1-CG 4.5Å; A264-F268 WeakPolarHBondContact O-CD2 3.13Å; A264-F268 PolarHBondContact O-N 2.88Å; A265-F268 PolarHBondContact O-N 2.99Å; S266-F268 VanDerWaalsContact C-N 3.31Å; S266-F268 PolarHBondContact O-N 2.66Å; F268-N270 VanDerWaalsContact C-N 3.29Å; F268-N270 PolarHBondContact O-N 3.43Å; F268-R271 WeakPolarHBondContact O-CB 3.44Å; F268-R271 PolarHBondContact O-N 3.35Å; F268-R271 VanDerWaalsContact O-N 3.15Å; F268-E434 HydrophobicContact CD1-CG 4.31Å; F268-E434 VanDerWaalsContact CD1-OE1 3.24Å; F268-E434 WeakPolarHBondContact CD1-OE1 3.49Å; F268-E434 WeakPolarHBondContact CE1-OE1 3.36Å
269	L	96.3	Very high	95.9	Very high	22 Å²	22	65.7 Å²	65.7	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-57.1	-44.7	174.1	179.3	69.5	0	0	0	111.1	I238 A265 S266 R271 V272 K273 P479 L481	I238-L269 HydrophobicContact CG2-CD1 4.43Å; A265-L269 PolarHBondContact O-N 2.8Å; S266-L269 PolarHBondContact O-N 2.75Å; L269-R271 PolarHBondContact O-N 3.41Å; L269-R271 VanDerWaalsContact O-N 3.13Å; L269-V272 HydrophobicContact CD1-CG2 4.38Å; L269-V272 VanDerWaalsContact O-CG2 3.28Å; L269-V272 WeakPolarHBondContact O-CG2 3.16Å; L269-V272 PolarHBondContact O-N 2.96Å; L269-K273 HydrophobicContact CG-CB 4.4Å; L269-K273 VanDerWaalsContact O-CB 3.32Å; L269-K273 WeakPolarHBondContact O-CB 3.44Å; L269-K273 PolarHBondContact O-N 2.94Å; L269-P479 HydrophobicContact CD1-CB 4.43Å; L269-P479 WeakPolarHBondContact CD1-O 3.44Å; L269-L481 HydrophobicContact CD2-CB 4.14Å
270	N	95.1	Very high	95.9	Very high	111 Å²	111	64.3 Å²	64.3	59%	0.594	33%	0.33	S	S	*	.	H	α-helix	trans	-61.5	-23.5	-178.7	-72.6	-24	0	0	0	113.3	S266 V267 F268 V272	S266-N270 VanDerWaalsContact O-CG 3.27Å; S266-N270 PolarHBondContact O-N 3.02Å; S266-N270 PolarHBondContact O-ND2 3.01Å; V267-N270 PolarHBondContact O-N 2.97Å; F268-N270 VanDerWaalsContact C-N 3.29Å; F268-N270 PolarHBondContact O-N 3.43Å; N270-V272 VanDerWaalsContact C-N 3.33Å
271	R	94.4	Very high	95.9	Very high	110 Å²	110	63.4 Å²	63.4	42%	0.415	33%	0.331	S	S	.	.	H	α-helix	trans	-75.1	-20.8	175.4	-65.2	-177.9	-177	-166.7	-4.3	113.9	F268 L269 G431 D432 E434	F268-R271 WeakPolarHBondContact O-CB 3.44Å; F268-R271 PolarHBondContact O-N 3.35Å; F268-R271 VanDerWaalsContact O-N 3.15Å; L269-R271 PolarHBondContact O-N 3.41Å; L269-R271 VanDerWaalsContact O-N 3.13Å; R271-G431 WeakPolarHBondContact O-CA 3.5Å; R271-D432 HydrophobicContact CB-CB 4.2Å; R271-D432 PolarHBondContact O-N 2.8Å; R271-D432 VanDerWaalsContact O-N 3.09Å; R271-E434 HydrophobicContact CB-CG 4.49Å
272	V	95.6	Very high	95.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-118.1	-20.8	-174.4	-58.5	0	0	0	0	113.6	I238 L269 N270 S274 S275 V430 E434 F436 P479	I238-V272 HydrophobicContact CD1-CG2 4.29Å; I238-V272 HydrophobicContact CG2-CG2 4.03Å; L269-V272 HydrophobicContact CD1-CG2 4.38Å; L269-V272 VanDerWaalsContact O-CG2 3.28Å; L269-V272 WeakPolarHBondContact O-CG2 3.16Å; L269-V272 PolarHBondContact O-N 2.96Å; N270-V272 VanDerWaalsContact C-N 3.33Å; V272-S274 VanDerWaalsContact C-N 3.28Å; V272-S274 PolarHBondContact O-N 3.17Å; V272-S275 WeakPolarHBondContact O-CB 3.49Å; V272-S275 PolarHBondContact O-N 3.49Å; V272-S275 PolarHBondContact O-OG 3.32Å; V272-S275 VanDerWaalsContact O-OG 3.13Å; V272-V430 HydrophobicContact CB-CG1 4.02Å; V272-V430 HydrophobicContact CG1-CB 4.27Å; V272-V430 HydrophobicContact CG1-CG1 4.21Å; V272-V430 WeakPolarHBondContact CG1-O 3.4Å; V272-E434 HydrophobicContact CG1-CB 3.6Å; V272-E434 HydrophobicContact CG1-CG 4.03Å; V272-F436 HydrophobicContact CG1-CE2 4.49Å; V272-P479 HydrophobicContact CB-CB 4.42Å; V272-P479 HydrophobicContact CB-CG 4.45Å; V272-P479 HydrophobicContact CG2-CB 3.8Å; V272-P479 HydrophobicContact CG2-CG 4.35Å; V272-P479 WeakPolarHBondContact O-CG 3.25Å
273	K	93.8	Very high	95.9	Very high	84 Å²	84	61 Å²	61	37%	0.365	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.3	-170	-170.9	176.5	-179.2	-178.6	0	113.4	L269 S275 E478	L269-K273 HydrophobicContact CG-CB 4.4Å; L269-K273 VanDerWaalsContact O-CB 3.32Å; L269-K273 WeakPolarHBondContact O-CB 3.44Å; L269-K273 PolarHBondContact O-N 2.94Å; K273-S275 VanDerWaalsContact C-N 3.3Å; K273-S275 PolarHBondContact O-N 3.11Å; K273-E478 WeakPolarHBondContact CE-OE1 3.31Å; K273-E478 HydrophobicContact CG-CG 4.02Å; K273-E478 WeakPolarHBondContact CG-OE1 3.48Å; K273-E478 IonicContact NZ-OE1 3.99Å; K273-E478 WeakPolarHBondContact O-CG 3.4Å
274	S	92.8	Very high	95.9	Very high	106 Å²	106	55.1 Å²	55.1	74%	0.741	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.5	-178.8	-51.2	0	0	0	0	113.8	V272	V272-S274 VanDerWaalsContact C-N 3.28Å; V272-S274 PolarHBondContact O-N 3.17Å
275	S	94.5	Very high	95.9	Very high	22 Å²	22	57.1 Å²	57.1	15%	0.154	31%	0.305	C	S	.	.			trans	-71.1	143.7	-177.5	-54.3	0	0	0	0	111.6	V272 K273 G431	V272-S275 WeakPolarHBondContact O-CB 3.49Å; V272-S275 PolarHBondContact O-N 3.49Å; V272-S275 PolarHBondContact O-OG 3.32Å; V272-S275 VanDerWaalsContact O-OG 3.13Å; K273-S275 VanDerWaalsContact C-N 3.3Å; K273-S275 PolarHBondContact O-N 3.11Å; S275-G431 WeakPolarHBondContact OG-CA 3.45Å; S275-G431 PolarHBondContact OG-N 3.06Å
276	K	95.3	Very high	95.9	Very high	132 Å²	132	63.2 Å²	63.2	57%	0.574	33%	0.332	S	S	*	.			trans	-115.8	-12.5	175.4	-60.4	-59.3	178.2	-165.8	0	113.1	L475	K276-L475 PolarHBondContact O-N 3.46Å
277	T	95.5	Very high	96	Very high	59 Å²	59	67.5 Å²	67.5	36%	0.362	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.7	-178.8	55.9	0	0	0	0	110.7	F473	T277-F473 CarbonylContact C-O 3.53Å; T277-F473 WeakPolarHBondContact CA-O 3.48Å
278	A	96.5	Very high	96	Very high	1 Å²	1	68 Å²	68	1%	0.008	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.4	166.7	0	0	0	0	0	108.8	M252 V428 S429 V430 Q472 F473 L475	M252-A278 HydrophobicContact CE-CB 4.11Å; A278-V428 HydrophobicContact CB-CB 4.47Å; A278-S429 WeakPolarHBondContact CA-O 3.28Å; A278-V430 HydrophobicContact CB-CG2 3.86Å; A278-Q472 VanDerWaalsContact O-CA 3.29Å; A278-Q472 WeakPolarHBondContact O-CA 3.46Å; A278-F473 HydrophobicContact CB-CD2 4.49Å; A278-F473 HydrophobicContact CB-CE1 3.94Å; A278-F473 HydrophobicContact CB-CE2 3.91Å; A278-F473 HydrophobicContact CB-CZ 3.59Å; A278-F473 PolarHBondContact N-O 2.81Å; A278-F473 PolarHBondContact O-N 3.09Å; A278-L475 HydrophobicContact CB-CD2 4Å
279	E	96.3	Very high	96	Very high	79 Å²	79	70.8 Å²	70.8	37%	0.369	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.5	179.3	-175	175.8	147.7	0	0	111.2	V281 V428 S429 Y471 Q472	E279-V281 PolarHBondContact O-N 2.89Å; E279-V428 CarbonylContact O-C 3.56Å; E279-V428 WeakPolarHBondContact O-CA 3.31Å; E279-S429 PolarHBondContact N-O 2.93Å; E279-S429 PolarHBondContact O-N 2.8Å; E279-Y471 WeakPolarHBondContact CA-O 3Å; E279-Q472 HydrophobicContact CB-CG 3.94Å; E279-Q472 HydrophobicContact CG-CG 3.88Å; E279-Q472 PolarHBondContact OE2-NE2 3.11Å
280	V	97.4	Very high	96.1	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	114.5	172.8	178.6	0	0	0	0	110.3	V283 V426 V428 L466 N468 G470 Y471 F473	V280-V283 HydrophobicContact CG1-CG2 3.56Å; V280-V426 HydrophobicContact CB-CG1 4.34Å; V280-V426 HydrophobicContact CG1-CG1 3.66Å; V280-V426 HydrophobicContact CG2-CG1 3.86Å; V280-V428 HydrophobicContact CG2-CG1 4.18Å; V280-L466 HydrophobicContact CG2-CD2 4.16Å; V280-N468 WeakPolarHBondContact CB-O 3.3Å; V280-G470 PolarHBondContact O-N 3.17Å; V280-Y471 HydrophobicContact CG2-CD1 4.28Å; V280-Y471 PolarHBondContact N-O 3.37Å; V280-F473 HydrophobicContact CG2-CE1 4.33Å
281	V	97.2	Very high	96.2	Very high	71 Å²	71	70.4 Å²	70.4	43%	0.43	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-38.2	-179.2	-147.6	0	0	0	0	111.5	E279 I427 S429 L435	E279-V281 PolarHBondContact O-N 2.89Å; V281-I427 PolarHBondContact N-O 3.16Å; V281-S429 VanDerWaalsContact CG2-CB 3.49Å; V281-L435 HydrophobicContact CG2-CD2 4.18Å
282	Q	97.1	Very high	96.4	Very high	108 Å²	108	66.6 Å²	66.6	51%	0.505	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	140.6	-175.2	-174.9	-176.6	-18.1	0	0	110.4	V426 I427	Q282-V426 CarbonylContact O-C 3.55Å; Q282-V426 WeakPolarHBondContact O-CA 3.37Å; Q282-I427 HydrophobicContact CB-CB 4.09Å; Q282-I427 HydrophobicContact CB-CG1 4.24Å; Q282-I427 PolarHBondContact N-O 2.87Å; Q282-I427 PolarHBondContact O-N 3.49Å
283	V	97.2	Very high	96.5	Very high	33 Å²	33	67.6 Å²	67.6	20%	0.2	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.7	174.2	-176.3	0	0	0	0	107.9	V280 V285 T424 V426 L467 Q469	V280-V283 HydrophobicContact CG1-CG2 3.56Å; V283-V285 HydrophobicContact CG1-CG2 4.37Å; V283-T424 HydrophobicContact CG1-CG2 4.44Å; V283-V426 HydrophobicContact CG1-CG2 4.37Å; V283-V426 HydrophobicContact CG2-CG1 4.37Å; V283-V426 HydrophobicContact CG2-CG2 4.43Å; V283-L467 HydrophobicContact CG1-CD2 4.04Å; V283-Q469 HydrophobicContact CG2-CG 4.36Å
284	S	96.7	Very high	96.7	Very high	29 Å²	29	67.1 Å²	67.1	20%	0.203	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	114.1	175.9	165.4	0	0	0	0	108.9	K286 T424 Q425	S284-K286 WeakPolarHBondContact OG-CE 3.48Å; S284-T424 WeakPolarHBondContact O-CA 3.28Å; S284-Q425 PolarHBondContact N-O 3.22Å; S284-Q425 PolarHBondContact O-N 2.73Å
285	V	96.2	Very high	97	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.3	170.6	-174.4	0	0	0	0	108	V283 E422 T424	V283-V285 HydrophobicContact CG1-CG2 4.37Å; V285-E422 HydrophobicContact CG1-CB 4.36Å; V285-T424 HydrophobicContact CG2-CG2 4.1Å
286	K	97.1	Very high	97.2	Very high	129 Å²	129	61.3 Å²	61.3	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.8	177.8	-67.3	-178.6	-178.8	176.5	0	109.7	S284 K288 Q423	S284-K286 WeakPolarHBondContact OG-CE 3.48Å; K286-K288 PolarHBondContact O-N 2.73Å; K286-Q423 PolarHBondContact N-O 3.26Å; K286-Q423 PolarHBondContact O-N 2.92Å
287	Q	97.4	Very high	97.3	Very high	129 Å²	129	55.9 Å²	55.9	60%	0.603	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.9	167.1	-168.9	172.9	-27.7	0	0	109.2
288	K	97.3	Very high	97.3	Very high	87 Å²	87	53.3 Å²	53.3	38%	0.378	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.5	178.3	-75.7	-167.2	171.1	-177.4	0	110.1	K286 Y421 Q423	K286-K288 PolarHBondContact O-N 2.73Å; K288-Y421 HydrophobicContact CB-CD2 4.14Å; K288-Y421 HydrophobicContact CB-CE1 3.96Å; K288-Y421 HydrophobicContact CB-CE2 3.55Å; K288-Y421 VanDerWaalsContact CB-CZ 3.44Å; K288-Y421 HydrophobicContact CD-CE2 4.14Å; K288-Y421 HydrophobicContact CG-CE2 4.38Å; K288-Y421 PolarHBondContact N-O 3.06Å; K288-Y421 PolarHBondContact O-N 2.83Å; K288-Y421 VanDerWaalsContact O-O 3.09Å; K288-Q423 HydrophobicContact CD-CB 4.28Å; K288-Q423 VanDerWaalsContact CD-OE1 3.31Å
289	I	97.3	Very high	97.3	Very high	97 Å²	97	54.1 Å²	54.1	50%	0.497	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.9	-179.5	-59.3	175.5	0	0	0	107.9	D418 C419	I289-D418 HydrophobicContact CG2-CB 3.37Å; I289-C419 CarbonylContact C-O 3.54Å; I289-C419 WeakPolarHBondContact CA-O 3.44Å
290	K	97.4	Very high	97.3	Very high	63 Å²	63	52.9 Å²	52.9	27%	0.274	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.6	162.2	179.7	175.3	-173.4	170.5	0	106.8	C419 Y421 F448 Q455 V457	K290-C419 HydrophobicContact CB-CB 4.1Å; K290-C419 PolarHBondContact N-O 3.09Å; K290-C419 PolarHBondContact O-N 3.01Å; K290-Y421 HydrophobicContact CB-CE1 4.04Å; K290-F448 HydrophobicContact CD-CZ 4.33Å; K290-F448 HydrophobicContact CG-CE1 4.18Å; K290-F448 HydrophobicContact CG-CZ 4.19Å; K290-F448 WeakPolarHBondContact O-CE1 3.33Å; K290-Q455 PolarHBondContact NZ-O 2.98Å; K290-V457 HydrophobicContact CD-CG2 4.13Å
291	P	97.9	Very high	97.4	Very high	61 Å²	61	52.8 Å²	52.8	40%	0.396	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-69.3	141.7	-173.9	29.2	-34.8	0	0	0	110.4	D418 F448	P291-D418 WeakPolarHBondContact CA-OD1 3.28Å; P291-F448 WeakPolarHBondContact O-CE1 3.31Å
292	R	97.9	Very high	97.4	Very high	31 Å²	31	49.5 Å²	49.5	12%	0.117	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-58.9	156.7	168	75.6	-166.9	170.7	-80.2	6.6	110.9	P372 T414 M416 D418 F448	R292-P372 PolarHBondContact NE-O 3.04Å; R292-P372 PolarHBondContact NH2-O 3.01Å; R292-T414 WeakPolarHBondContact CD-O 3.49Å; R292-T414 PolarHBondContact NE-O 3.49Å; R292-M416 WeakPolarHBondContact CD-O 3.26Å; R292-D418 WeakPolarHBondContact CB-OD1 3.2Å; R292-D418 VanDerWaalsContact CG-OD1 3.26Å; R292-D418 WeakPolarHBondContact CG-OD1 3.41Å; R292-D418 IonicContact CZ-OD1 3.54Å; R292-D418 PolarHBondContact N-OD1 3.26Å; R292-D418 IonicContact NH1-OD1 2.77Å; R292-D418 PolarHBondContact NH1-OD1 3.4Å; R292-D418 IonicContact NH1-OD2 3.6Å; R292-D418 PolarHBondContact NH1-OD2 3.39Å; R292-D418 VanDerWaalsContact NH1-OD2 3.08Å; R292-F448 HydrophobicContact CB-CB 4.11Å; R292-F448 HydrophobicContact CB-CD1 3.81Å; R292-F448 HydrophobicContact CB-CE1 4.43Å; R292-F448 HydrophobicContact CB-CG 3.95Å
293	P	98	Very high	97.5	Very high	21 Å²	21	47.4 Å²	47.4	14%	0.136	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-66.2	156	179.8	28	-35	0	0	0	112	H410 A413 T414 L452	P293-H410 VanDerWaalsContact CB-CE1 3.49Å; P293-H410 WeakPolarHBondContact CB-CE1 3.26Å; P293-A413 HydrophobicContact CG-CB 3.87Å; P293-T414 HydrophobicContact CG-CG2 4.15Å; P293-L452 HydrophobicContact CG-CD1 4.2Å
294	Q	98	Very high	97.5	Very high	73 Å²	73	47.2 Å²	47.2	34%	0.341	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-74.6	173	162.9	-68.8	175.1	-30	0	0	110	R374 A375 H410 T414	Q294-R374 HydrophobicContact CG-CB 4.35Å; Q294-R374 HydrophobicContact CG-CG 4.21Å; Q294-A375 PolarHBondContact NE2-O 3.01Å; Q294-H410 PolarHBondContact O-NE2 3.15Å; Q294-T414 VanDerWaalsContact O-CG2 3.29Å; Q294-T414 WeakPolarHBondContact O-CG2 3.29Å
295	G	98.4	Very high	97.5	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-51.1	142	170.9	0	0	0	0	0	111.4	N297 T337	G295-N297 PolarHBondContact O-N 3.21Å; G295-T337 VanDerWaalsContact CA-O 3.28Å; G295-T337 WeakPolarHBondContact CA-O 3.45Å; G295-T337 PolarHBondContact N-O 2.92Å; G295-T337 WeakPolarHBondContact O-CB 3.37Å; G295-T337 WeakPolarHBondContact O-CG2 3.43Å
296	L	98.6	Very high	97.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-73	124.9	-176.4	-173.8	62.5	0	0	0	110.3	E300 M301 P384 I385 Y406 I407	L296-E300 HydrophobicContact CD1-CB 3.91Å; L296-E300 HydrophobicContact CD1-CG 3.79Å; L296-M301 HydrophobicContact CD1-CB 4.27Å; L296-M301 HydrophobicContact CD2-CB 4.24Å; L296-M301 HydrophobicContact CG-CB 4.24Å; L296-P384 CarbonylContact O-C 3.52Å; L296-P384 WeakPolarHBondContact O-CA 3.29Å; L296-P384 WeakPolarHBondContact O-CB 3.46Å; L296-I385 HydrophobicContact CB-CB 4.19Å; L296-I385 HydrophobicContact CD2-CB 4.11Å; L296-I385 HydrophobicContact CD2-CG2 4.35Å; L296-I385 HydrophobicContact CG-CB 4.17Å; L296-I385 PolarHBondContact O-N 3.5Å; L296-Y406 HydrophobicContact CD1-CE1 4.08Å; L296-Y406 WeakPolarHBondContact CD1-OH 3.47Å; L296-Y406 HydrophobicContact CD2-CE1 3.98Å; L296-I407 HydrophobicContact CD2-CB 4.42Å; L296-I407 HydrophobicContact CD2-CG1 3.88Å; L296-I407 HydrophobicContact CD2-CG2 4.49Å
297	N	97.3	Very high	97.5	Very high	18 Å²	18	39.7 Å²	39.7	10%	0.096	21%	0.207	C	C	.	.			trans	-103.8	176.6	169.1	74.4	-6.8	0	0	0	111.1	G295 V299 E300 M301 T334 T337	G295-N297 PolarHBondContact O-N 3.21Å; N297-V299 PolarHBondContact O-N 2.94Å; N297-V299 PolarHBondContact OD1-N 3.43Å; N297-E300 PolarHBondContact O-N 2.93Å; N297-E300 VanDerWaalsContact OD1-CB 3.3Å; N297-E300 WeakPolarHBondContact OD1-CB 3.44Å; N297-E300 PolarHBondContact OD1-N 2.87Å; N297-M301 WeakPolarHBondContact O-CB 3.46Å; N297-M301 PolarHBondContact O-N 3.38Å; N297-T334 WeakPolarHBondContact CB-O 3.45Å; N297-T337 HydrophobicContact CB-CG2 3.79Å
298	T	97.2	Very high	97.3	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-45	179.6	-62.5	0	0	0	0	112.7	E300 M301 L302 M317 P332 R333 T334 A510	T298-E300 PolarHBondContact O-N 3.09Å; T298-M301 PolarHBondContact O-N 2.98Å; T298-L302 HydrophobicContact CG2-CD1 3.77Å; T298-L302 HydrophobicContact CG2-CG 4.28Å; T298-L302 WeakPolarHBondContact O-CG 3.48Å; T298-L302 PolarHBondContact O-N 3.33Å; T298-M317 HydrophobicContact CG2-CE 3.35Å; T298-P332 PolarHBondContact OG1-O 3.01Å; T298-R333 VanDerWaalsContact OG1-CA 3.23Å; T298-R333 WeakPolarHBondContact OG1-CA 3.47Å; T298-T334 WeakPolarHBondContact CB-O 3.13Å; T298-T334 PolarHBondContact N-O 3.35Å; T298-T334 PolarHBondContact OG1-N 3.39Å; T298-T334 PolarHBondContact OG1-O 2.86Å; T298-T334 VanDerWaalsContact OG1-O 3.09Å; T298-A510 HydrophobicContact CG2-CB 4.08Å
299	V	95.9	Very high	97.3	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-49.9	-177.2	174.6	0	0	0	0	109.8	N297 M301 L302 R303 I498 E502 I512	N297-V299 PolarHBondContact O-N 2.94Å; N297-V299 PolarHBondContact OD1-N 3.43Å; V299-M301 PolarHBondContact O-N 3.42Å; V299-L302 PolarHBondContact O-N 3.44Å; V299-R303 HydrophobicContact CG1-CG 4.46Å; V299-R303 WeakPolarHBondContact O-CG 3.42Å; V299-R303 PolarHBondContact O-N 2.81Å; V299-I498 HydrophobicContact CB-CG2 4.4Å; V299-I498 HydrophobicContact CG1-CG2 3.46Å; V299-I498 VanDerWaalsContact CG1-CG2 3.46Å; V299-E502 HydrophobicContact CG1-CB 4.29Å; V299-E502 VanDerWaalsContact CG1-CD 3.41Å; V299-E502 HydrophobicContact CG1-CG 4.33Å; V299-E502 WeakPolarHBondContact CG1-OE1 3.49Å; V299-E502 VanDerWaalsContact CG1-OE2 3.31Å; V299-E502 WeakPolarHBondContact CG1-OE2 3.23Å; V299-E502 HydrophobicContact CG2-CG 4.28Å; V299-E502 WeakPolarHBondContact CG2-OE1 3.49Å; V299-I512 HydrophobicContact CG2-CD1 4.33Å
300	E	96.8	Very high	97.2	Very high	53 Å²	53	30.9 Å²	30.9	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-39.9	-179.2	-176.5	64.8	167.8	0	0	112.3	L296 N297 T298 L302 R303 V304	L296-E300 HydrophobicContact CD1-CB 3.91Å; L296-E300 HydrophobicContact CD1-CG 3.79Å; N297-E300 PolarHBondContact O-N 2.93Å; N297-E300 VanDerWaalsContact OD1-CB 3.3Å; N297-E300 WeakPolarHBondContact OD1-CB 3.44Å; N297-E300 PolarHBondContact OD1-N 2.87Å; T298-E300 PolarHBondContact O-N 3.09Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 2.61Å; E300-R303 PolarHBondContact O-N 2.97Å; E300-R303 IonicContact OE2-CZ 2.76Å; E300-R303 IonicContact OE2-NE 3.05Å; E300-R303 PolarHBondContact OE2-NE 2.94Å; E300-R303 IonicContact OE2-NH2 2.63Å; E300-R303 PolarHBondContact OE2-NH2 3.41Å; E300-V304 HydrophobicContact CG-CG2 4.49Å; E300-V304 PolarHBondContact O-N 3.03Å
301	M	98.5	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-46.9	173.4	-178.9	-170.9	66.2	0	0	111.4	L296 N297 T298 V299 A305 M317 A320 P332 I385 L403 I407	L296-M301 HydrophobicContact CD1-CB 4.27Å; L296-M301 HydrophobicContact CD2-CB 4.24Å; L296-M301 HydrophobicContact CG-CB 4.24Å; N297-M301 WeakPolarHBondContact O-CB 3.46Å; N297-M301 PolarHBondContact O-N 3.38Å; T298-M301 PolarHBondContact O-N 2.98Å; V299-M301 PolarHBondContact O-N 3.42Å; M301-A305 WeakPolarHBondContact O-CB 3.38Å; M301-A305 PolarHBondContact O-N 3.33Å; M301-M317 HydrophobicContact CE-CE 4.1Å; M301-A320 HydrophobicContact CE-CB 3.86Å; M301-A320 HydrophobicContact SD-CB 3.84Å; M301-P332 HydrophobicContact CE-CB 4.32Å; M301-I385 HydrophobicContact CB-CD1 4.16Å; M301-I385 HydrophobicContact CE-CD1 4.19Å; M301-I385 HydrophobicContact SD-CD1 3.83Å; M301-L403 HydrophobicContact CG-CD1 4.11Å; M301-I407 HydrophobicContact SD-CD1 4.2Å
302	L	98.2	Very high	97.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-38.5	-179.5	-64.2	169.6	0	0	0	112.3	T298 V299 E300 S306 P313 A316 M317 I498 P513	T298-L302 HydrophobicContact CG2-CD1 3.77Å; T298-L302 HydrophobicContact CG2-CG 4.28Å; T298-L302 WeakPolarHBondContact O-CG 3.48Å; T298-L302 PolarHBondContact O-N 3.33Å; V299-L302 PolarHBondContact O-N 3.44Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 2.61Å; L302-S306 PolarHBondContact O-N 3.11Å; L302-P313 HydrophobicContact CD2-CB 4.22Å; L302-P313 VanDerWaalsContact CD2-O 3.28Å; L302-P313 WeakPolarHBondContact CD2-O 3.49Å; L302-A316 HydrophobicContact CD2-CB 3.95Å; L302-M317 HydrophobicContact CD1-CE 4.35Å; L302-M317 HydrophobicContact CD2-CB 4.4Å; L302-M317 HydrophobicContact CD2-CE 4.28Å; L302-I498 HydrophobicContact CB-CD1 3.73Å; L302-P513 HydrophobicContact CD1-CG 3.56Å; L302-P513 HydrophobicContact CD2-CG 4.16Å
303	R	97.5	Very high	97.1	Very high	64 Å²	64	24.3 Å²	24.3	24%	0.242	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-49.4	176.6	-73.5	-163.9	-56	-166.2	-6	111.7	V299 E300 S306 A307 S495 I498 T499	V299-R303 HydrophobicContact CG1-CG 4.46Å; V299-R303 WeakPolarHBondContact O-CG 3.42Å; V299-R303 PolarHBondContact O-N 2.81Å; E300-R303 PolarHBondContact O-N 2.97Å; E300-R303 IonicContact OE2-CZ 2.76Å; E300-R303 IonicContact OE2-NE 3.05Å; E300-R303 PolarHBondContact OE2-NE 2.94Å; E300-R303 IonicContact OE2-NH2 2.63Å; E300-R303 PolarHBondContact OE2-NH2 3.41Å; R303-S306 PolarHBondContact O-N 2.94Å; R303-A307 WeakPolarHBondContact O-CB 3.32Å; R303-A307 PolarHBondContact O-N 2.79Å; R303-S495 WeakPolarHBondContact CB-OG 3.37Å; R303-I498 HydrophobicContact CG-CB 4.1Å; R303-I498 HydrophobicContact CG-CD1 4.38Å; R303-I498 HydrophobicContact CG-CG2 3.79Å; R303-T499 WeakPolarHBondContact CD-OG1 3.46Å; R303-T499 PolarHBondContact NH1-OG1 3.08Å; R303-T499 VanDerWaalsContact NH1-OG1 3.09Å
304	V	97.2	Very high	97	Very high	28 Å²	28	27.2 Å²	27.2	17%	0.17	17%	0.173	C	C	.	.	H	α-helix	trans	-71.9	-36.2	-179.7	179.4	0	0	0	0	111.3	E300 S306 G308 L309 Y406	E300-V304 HydrophobicContact CG-CG2 4.49Å; E300-V304 PolarHBondContact O-N 3.03Å; V304-S306 VanDerWaalsContact C-N 3.29Å; V304-S306 PolarHBondContact O-N 3.34Å; V304-G308 VanDerWaalsContact O-CA 3.28Å; V304-G308 WeakPolarHBondContact O-CA 3.44Å; V304-G308 PolarHBondContact O-N 3.36Å; V304-L309 PolarHBondContact O-N 2.71Å; V304-Y406 HydrophobicContact CB-CE1 3.89Å; V304-Y406 HydrophobicContact CB-CE2 4.11Å; V304-Y406 HydrophobicContact CG1-CD1 4.28Å; V304-Y406 HydrophobicContact CG1-CD2 3.82Å; V304-Y406 HydrophobicContact CG1-CE1 3.96Å; V304-Y406 HydrophobicContact CG1-CE2 3.51Å; V304-Y406 HydrophobicContact CG1-CG 4.21Å; V304-Y406 HydrophobicContact CG2-CE1 4.5Å; V304-Y406 HydrophobicContact CG2-CE2 4.3Å; V304-Y406 WeakPolarHBondContact CG2-OH 3.22Å
305	A	97.8	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-43.6	173.2	0	0	0	0	0	111.6	M301 L309 G310 I311 A316 L403	M301-A305 WeakPolarHBondContact O-CB 3.38Å; M301-A305 PolarHBondContact O-N 3.33Å; A305-L309 CarbonylContact O-C 3.52Å; A305-L309 WeakPolarHBondContact O-CA 3.4Å; A305-L309 VanDerWaalsContact O-CB 3.29Å; A305-L309 WeakPolarHBondContact O-CB 3.26Å; A305-L309 PolarHBondContact O-N 2.72Å; A305-G310 PolarHBondContact O-N 3.44Å; A305-I311 CarbonylContact C-O 3.56Å; A305-I311 VanDerWaalsContact C-O 3.31Å; A305-I311 HydrophobicContact CB-CB 4.36Å; A305-I311 PolarHBondContact O-N 3.46Å; A305-A316 HydrophobicContact CB-CB 3.62Å; A305-L403 HydrophobicContact CB-CD1 4.29Å
306	S	97.3	Very high	96.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-71.1	-57.9	177.2	-178.4	0	0	0	0	112.3	L302 R303 V304 G310 I311 E494 R531	L302-S306 PolarHBondContact O-N 3.11Å; R303-S306 PolarHBondContact O-N 2.94Å; V304-S306 VanDerWaalsContact C-N 3.29Å; V304-S306 PolarHBondContact O-N 3.34Å; S306-G310 WeakPolarHBondContact O-CA 3.35Å; S306-G310 PolarHBondContact O-N 3.49Å; S306-G310 VanDerWaalsContact O-N 3.15Å; S306-I311 VanDerWaalsContact CA-O 3.24Å; S306-I311 WeakPolarHBondContact CA-O 3.49Å; S306-I311 PolarHBondContact N-O 3.46Å; S306-E494 WeakPolarHBondContact CB-OE2 3.4Å; S306-E494 WeakPolarHBondContact OG-CB 3.4Å; S306-E494 PolarHBondContact OG-OE2 2.84Å; S306-R531 WeakPolarHBondContact O-CD 3.44Å; S306-R531 WeakPolarHBondContact OG-CD 3.31Å
307	A	95.7	Very high	96.8	Very high	75 Å²	75	26.8 Å²	26.8	62%	0.62	18%	0.176	S	C	*	.	H	α-helix	trans	-72.6	-40.3	-172	0	0	0	0	0	113.4	R303	R303-A307 WeakPolarHBondContact O-CB 3.32Å; R303-A307 PolarHBondContact O-N 2.79Å
308	G	94	Very high	96.8	Very high	55 Å²	55	27.9 Å²	27.9	57%	0.567	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-38	-175.7	0	0	0	0	0	113.8	V304	V304-G308 VanDerWaalsContact O-CA 3.28Å; V304-G308 WeakPolarHBondContact O-CA 3.44Å; V304-G308 PolarHBondContact O-N 3.36Å
309	L	96.1	Very high	96.8	Very high	30 Å²	30	28.4 Å²	28.4	16%	0.157	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-10.9	-175.7	-50.4	180	0	0	0	113.7	V304 A305 I311 R402 L403	V304-L309 PolarHBondContact O-N 2.71Å; A305-L309 CarbonylContact O-C 3.52Å; A305-L309 WeakPolarHBondContact O-CA 3.4Å; A305-L309 VanDerWaalsContact O-CB 3.29Å; A305-L309 WeakPolarHBondContact O-CB 3.26Å; A305-L309 PolarHBondContact O-N 2.72Å; L309-I311 HydrophobicContact CB-CD1 3.78Å; L309-I311 HydrophobicContact CB-CG1 3.86Å; L309-I311 HydrophobicContact CD1-CD1 4.1Å; L309-I311 PolarHBondContact O-N 3.2Å; L309-R402 VanDerWaalsContact O-CZ 3.24Å; L309-R402 PolarHBondContact O-NH1 3.45Å; L309-R402 PolarHBondContact O-NH2 2.88Å; L309-L403 HydrophobicContact CD1-CD1 4.16Å
310	G	96.1	Very high	96.9	Very high	42 Å²	42	27.6 Å²	27.6	43%	0.433	19%	0.185	S	C	.	.			trans	70.3	15.3	-176.2	0	0	0	0	0	113.8	A305 S306 R531	A305-G310 PolarHBondContact O-N 3.44Å; S306-G310 WeakPolarHBondContact O-CA 3.35Å; S306-G310 PolarHBondContact O-N 3.49Å; S306-G310 VanDerWaalsContact O-N 3.15Å; G310-R531 PolarHBondContact O-NH1 2.91Å
311	I	96.8	Very high	96.9	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	18%	0.182	C	C	.	.			trans	-96.2	123.5	-177.3	-55.1	172.9	0	0	0	108.8	A305 S306 L309 A316 I319	A305-I311 CarbonylContact C-O 3.56Å; A305-I311 VanDerWaalsContact C-O 3.31Å; A305-I311 HydrophobicContact CB-CB 4.36Å; A305-I311 PolarHBondContact O-N 3.46Å; S306-I311 VanDerWaalsContact CA-O 3.24Å; S306-I311 WeakPolarHBondContact CA-O 3.49Å; S306-I311 PolarHBondContact N-O 3.46Å; L309-I311 HydrophobicContact CB-CD1 3.78Å; L309-I311 HydrophobicContact CB-CG1 3.86Å; L309-I311 HydrophobicContact CD1-CD1 4.1Å; L309-I311 PolarHBondContact O-N 3.2Å; I311-A316 HydrophobicContact CG2-CB 3.89Å; I311-I319 HydrophobicContact CG2-CD1 4.17Å
312	G	96.1	Very high	96.7	Very high	10 Å²	10	34.9 Å²	34.9	10%	0.103	21%	0.212	C	C	.	.			trans	-64.3	151.2	179.3	0	0	0	0	0	112.8	H314 S315 A316 R531	G312-H314 VanDerWaalsContact C-N 3.32Å; G312-H314 PolarHBondContact O-N 3.04Å; G312-S315 PolarHBondContact O-N 3.28Å; G312-S315 VanDerWaalsContact O-N 3.08Å; G312-A316 WeakPolarHBondContact O-CB 3.47Å; G312-A316 PolarHBondContact O-N 3.35Å; G312-R531 VanDerWaalsContact CA-CZ 3.47Å
313	P	96.8	Very high	96.7	Very high	3 Å²	3	35 Å²	35	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-55.1	-43.2	-173.1	-28.3	34.4	0	0	0	113.7	L302 A316 M317 E494 I498 P513 I516	L302-P313 HydrophobicContact CD2-CB 4.22Å; L302-P313 VanDerWaalsContact CD2-O 3.28Å; L302-P313 WeakPolarHBondContact CD2-O 3.49Å; P313-A316 PolarHBondContact O-N 3.42Å; P313-M317 PolarHBondContact O-N 3.32Å; P313-E494 WeakPolarHBondContact CD-OE1 3.37Å; P313-E494 VanDerWaalsContact CD-OE2 3.27Å; P313-E494 WeakPolarHBondContact CD-OE2 3.36Å; P313-E494 HydrophobicContact CG-CB 4.18Å; P313-E494 HydrophobicContact CG-CG 4.47Å; P313-I498 HydrophobicContact CB-CD1 4.38Å; P313-I498 HydrophobicContact CG-CD1 3.87Å; P313-P513 HydrophobicContact CB-CB 4.05Å; P313-P513 HydrophobicContact CB-CG 4.41Å; P313-I516 HydrophobicContact CG-CD1 4.33Å
314	H	95.8	Very high	96.6	Very high	82 Å²	82	32 Å²	32	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-45.7	178.3	179.9	-83.7	0	0	0	111.9	G312 M317 A318 E517	G312-H314 VanDerWaalsContact C-N 3.32Å; G312-H314 PolarHBondContact O-N 3.04Å; H314-M317 PolarHBondContact O-N 3.44Å; H314-A318 PolarHBondContact O-N 2.87Å; H314-E517 HydrophobicContact CB-CB 4.06Å; H314-E517 HydrophobicContact CB-CG 4.18Å
315	S	96.9	Very high	96.3	Very high	62 Å²	62	31.1 Å²	31.1	43%	0.434	20%	0.196	S	C	.	.	H	α-helix	trans	-64.8	-41	176.2	-60.2	0	0	0	0	112.1	G312 M317 A318 I319	G312-S315 PolarHBondContact O-N 3.28Å; G312-S315 VanDerWaalsContact O-N 3.08Å; S315-M317 PolarHBondContact O-N 2.67Å; S315-A318 PolarHBondContact O-N 3.18Å; S315-I319 VanDerWaalsContact O-CG1 3.26Å; S315-I319 WeakPolarHBondContact O-CG1 3.31Å; S315-I319 PolarHBondContact O-N 2.91Å
316	A	98.1	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-45.9	177.2	0	0	0	0	0	111.3	L302 A305 I311 G312 P313 I319 A320 L403	L302-A316 HydrophobicContact CD2-CB 3.95Å; A305-A316 HydrophobicContact CB-CB 3.62Å; I311-A316 HydrophobicContact CG2-CB 3.89Å; G312-A316 WeakPolarHBondContact O-CB 3.47Å; G312-A316 PolarHBondContact O-N 3.35Å; P313-A316 PolarHBondContact O-N 3.42Å; A316-I319 PolarHBondContact O-N 2.83Å; A316-A320 WeakPolarHBondContact O-CB 3.09Å; A316-A320 PolarHBondContact O-N 2.95Å; A316-L403 WeakPolarHBondContact O-CD2 3.27Å
317	M	97.5	Very high	95.9	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.2	-173.7	57	65.5	0	0	112	T298 M301 L302 P313 H314 S315 I319 A320 E321 P332 R333 A510 P513	T298-M317 HydrophobicContact CG2-CE 3.35Å; M301-M317 HydrophobicContact CE-CE 4.1Å; L302-M317 HydrophobicContact CD1-CE 4.35Å; L302-M317 HydrophobicContact CD2-CB 4.4Å; L302-M317 HydrophobicContact CD2-CE 4.28Å; P313-M317 PolarHBondContact O-N 3.32Å; H314-M317 PolarHBondContact O-N 3.44Å; S315-M317 PolarHBondContact O-N 2.67Å; M317-I319 VanDerWaalsContact C-N 3.31Å; M317-I319 PolarHBondContact O-N 2.92Å; M317-A320 PolarHBondContact O-N 3.4Å; M317-E321 WeakPolarHBondContact O-CG 3.41Å; M317-E321 PolarHBondContact O-N 3.15Å; M317-P332 HydrophobicContact SD-CG 4.37Å; M317-R333 HydrophobicContact CE-CG 4.2Å; M317-R333 HydrophobicContact SD-CG 3.79Å; M317-A510 HydrophobicContact CE-CB 4.41Å; M317-P513 HydrophobicContact CB-CG 4.38Å; M317-P513 HydrophobicContact CE-CG 4.42Å
318	A	96.5	Very high	95.9	Very high	42 Å²	42	30.7 Å²	30.7	35%	0.347	19%	0.187	S	C	.	.	H	α-helix	trans	-63.8	-34.7	178.2	0	0	0	0	0	113.2	H314 S315 R322	H314-A318 PolarHBondContact O-N 2.87Å; S315-A318 PolarHBondContact O-N 3.18Å; A318-R322 PolarHBondContact O-N 3Å
319	I	97.9	Very high	96.1	Very high	16 Å²	16	28 Å²	28	8%	0.082	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-47.9	173.1	-68.4	165.7	0	0	0	109.8	I311 S315 A316 M317 E321 R322 L323 E399 A400 L403	I311-I319 HydrophobicContact CG2-CD1 4.17Å; S315-I319 VanDerWaalsContact O-CG1 3.26Å; S315-I319 WeakPolarHBondContact O-CG1 3.31Å; S315-I319 PolarHBondContact O-N 2.91Å; A316-I319 PolarHBondContact O-N 2.83Å; M317-I319 VanDerWaalsContact C-N 3.31Å; M317-I319 PolarHBondContact O-N 2.92Å; I319-E321 VanDerWaalsContact C-N 3.34Å; I319-E321 PolarHBondContact O-N 3.39Å; I319-R322 WeakPolarHBondContact O-CB 3.41Å; I319-R322 PolarHBondContact O-N 3.26Å; I319-L323 HydrophobicContact CG2-CD1 4.16Å; I319-L323 HydrophobicContact CG2-CG 4.43Å; I319-L323 WeakPolarHBondContact O-CG 3.24Å; I319-L323 PolarHBondContact O-N 2.75Å; I319-E399 HydrophobicContact CD1-CB 4.01Å; I319-A400 HydrophobicContact CG2-CB 3.93Å; I319-L403 HydrophobicContact CB-CD2 3.98Å; I319-L403 HydrophobicContact CG2-CB 4.1Å; I319-L403 HydrophobicContact CG2-CD2 3.71Å
320	A	98.2	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.8	-44.1	179.4	0	0	0	0	0	111.7	M301 A316 M317 R322 L323 Y324 I329 P332 L403	M301-A320 HydrophobicContact CE-CB 3.86Å; M301-A320 HydrophobicContact SD-CB 3.84Å; A316-A320 WeakPolarHBondContact O-CB 3.09Å; A316-A320 PolarHBondContact O-N 2.95Å; M317-A320 PolarHBondContact O-N 3.4Å; A320-R322 VanDerWaalsContact C-N 3.26Å; A320-R322 PolarHBondContact O-N 3.24Å; A320-L323 WeakPolarHBondContact O-CB 3.27Å; A320-L323 PolarHBondContact O-N 2.84Å; A320-L323 VanDerWaalsContact O-N 3.15Å; A320-Y324 WeakPolarHBondContact O-CB 3.44Å; A320-Y324 PolarHBondContact O-N 2.66Å; A320-I329 HydrophobicContact CB-CD1 4.14Å; A320-I329 WeakPolarHBondContact O-CD1 3.27Å; A320-P332 HydrophobicContact CB-CB 3.56Å; A320-P332 HydrophobicContact CB-CG 3.9Å; A320-L403 HydrophobicContact CB-CD2 4.05Å
321	E	95.4	Very high	96.2	Very high	37 Å²	37	24.9 Å²	24.9	17%	0.173	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-36.3	174.4	-77	-177.9	-159.3	0	0	112.9	K10 M317 I319 Y324 T325 P332 R333	K10-E321 IonicContact NZ-OE2 3.33Å; K10-E321 PolarHBondContact NZ-OE2 3.16Å; M317-E321 WeakPolarHBondContact O-CG 3.41Å; M317-E321 PolarHBondContact O-N 3.15Å; I319-E321 VanDerWaalsContact C-N 3.34Å; I319-E321 PolarHBondContact O-N 3.39Å; E321-Y324 PolarHBondContact O-N 2.98Å; E321-T325 WeakPolarHBondContact O-CB 3.25Å; E321-T325 WeakPolarHBondContact O-CG2 3.46Å; E321-T325 PolarHBondContact O-N 3.29Å; E321-T325 PolarHBondContact O-OG1 3.01Å; E321-P332 HydrophobicContact CG-CG 4.33Å; E321-R333 IonicContact OE1-CZ 3.65Å; E321-R333 IonicContact OE1-NE 3.06Å; E321-R333 PolarHBondContact OE1-NE 3.27Å; E321-R333 IonicContact OE1-NH2 3.37Å; E321-R333 PolarHBondContact OE1-NH2 3.38Å
322	R	95.1	Very high	96.3	Very high	170 Å²	170	24.7 Å²	24.7	64%	0.642	13%	0.132	S	C	*	.	H	α-helix	trans	-69.8	-40.1	176.4	-165.5	-176.4	-50.3	-151.8	2	111.6	A318 I319 A320 Y324 T325 S326	A318-R322 PolarHBondContact O-N 3Å; I319-R322 WeakPolarHBondContact O-CB 3.41Å; I319-R322 PolarHBondContact O-N 3.26Å; A320-R322 VanDerWaalsContact C-N 3.26Å; A320-R322 PolarHBondContact O-N 3.24Å; R322-Y324 VanDerWaalsContact C-N 3.32Å; R322-T325 WeakPolarHBondContact CA-OG1 3.37Å; R322-T325 PolarHBondContact O-OG1 2.82Å; R322-S326 VanDerWaalsContact O-CB 3.3Å; R322-S326 WeakPolarHBondContact O-CB 3.18Å; R322-S326 PolarHBondContact O-N 3.45Å; R322-S326 VanDerWaalsContact O-N 3.08Å; R322-S326 PolarHBondContact O-OG 3.39Å
323	L	97.2	Very high	96.3	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-43.6	174.3	-69	172.3	0	0	0	110.5	I319 A320 S326 G327 Y328 I329 L396 A400	I319-L323 HydrophobicContact CG2-CD1 4.16Å; I319-L323 HydrophobicContact CG2-CG 4.43Å; I319-L323 WeakPolarHBondContact O-CG 3.24Å; I319-L323 PolarHBondContact O-N 2.75Å; A320-L323 WeakPolarHBondContact O-CB 3.27Å; A320-L323 PolarHBondContact O-N 2.84Å; A320-L323 VanDerWaalsContact O-N 3.15Å; L323-S326 CarbonylContact O-C 3.25Å; L323-S326 PolarHBondContact O-N 3.44Å; L323-G327 PolarHBondContact O-N 2.89Å; L323-G327 VanDerWaalsContact O-N 3.15Å; L323-Y328 HydrophobicContact CD2-CD2 4.03Å; L323-Y328 HydrophobicContact CD2-CG 4.4Å; L323-Y328 PolarHBondContact O-N 2.87Å; L323-I329 HydrophobicContact CB-CD1 3.86Å; L323-I329 HydrophobicContact CB-CG1 3.72Å; L323-I329 HydrophobicContact CB-CG2 4.38Å; L323-I329 HydrophobicContact CD1-CD1 4.45Å; L323-L396 HydrophobicContact CD2-CD1 3.75Å; L323-L396 HydrophobicContact CD2-CD2 3.57Å; L323-L396 HydrophobicContact CD2-CG 4.28Å; L323-A400 HydrophobicContact CD2-CB 4.34Å
324	Y	96.3	Very high	96.2	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-51.3	176.5	155.7	-104.6	0	0	0	112.6	D116 F147 V150 A320 E321 R322 S326 G327 I329 Y331	D116-Y324 VanDerWaalsContact OD1-CE1 3.24Å; D116-Y324 WeakPolarHBondContact OD1-CE1 3.22Å; D116-Y324 PolarHBondContact OD1-OH 2.9Å; F147-Y324 WeakPolarHBondContact CE2-OH 3.39Å; V150-Y324 HydrophobicContact CG2-CD2 4.23Å; V150-Y324 HydrophobicContact CG2-CE2 3.72Å; V150-Y324 WeakPolarHBondContact CG2-O 3.04Å; A320-Y324 WeakPolarHBondContact O-CB 3.44Å; A320-Y324 PolarHBondContact O-N 2.66Å; E321-Y324 PolarHBondContact O-N 2.98Å; R322-Y324 VanDerWaalsContact C-N 3.32Å; Y324-S326 PolarHBondContact O-N 3.49Å; Y324-S326 VanDerWaalsContact O-N 3.15Å; Y324-G327 WeakPolarHBondContact O-CA 3.48Å; Y324-G327 PolarHBondContact O-N 3.12Å; Y324-I329 WeakPolarHBondContact CA-O 3.37Å; Y324-Y331 AromaticContact CD1-CD2 3.93Å; Y324-Y331 HydrophobicContact CD1-CD2 3.93Å; Y324-Y331 HydrophobicContact CD1-CE2 4.32Å; Y324-Y331 HydrophobicContact CD2-CD2 4.05Å; Y324-Y331 AromaticContact CE1-CD2 3.63Å; Y324-Y331 HydrophobicContact CE1-CD2 3.63Å; Y324-Y331 AromaticContact CE1-CE2 3.9Å; Y324-Y331 HydrophobicContact CE1-CE2 3.9Å; Y324-Y331 AromaticContact CE2-CD2 3.74Å; Y324-Y331 HydrophobicContact CE2-CD2 3.74Å; Y324-Y331 HydrophobicContact CE2-CG 4.43Å; Y324-Y331 HydrophobicContact CG-CD2 4.13Å; Y324-Y331 AromaticContact CZ-CD2 3.52Å
325	T	91.4	Very high	96.1	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.067	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-23	179.7	47.4	0	0	0	0	112.8	E321 R322	E321-T325 WeakPolarHBondContact O-CB 3.25Å; E321-T325 WeakPolarHBondContact O-CG2 3.46Å; E321-T325 PolarHBondContact O-N 3.29Å; E321-T325 PolarHBondContact O-OG1 3.01Å; R322-T325 WeakPolarHBondContact CA-OG1 3.37Å; R322-T325 PolarHBondContact O-OG1 2.82Å
326	S	91.8	Very high	96	Very high	48 Å²	48	24.5 Å²	24.5	34%	0.336	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	1.7	173.3	-50.7	0	0	0	0	113.5	R322 L323 Y324 Y328 R389	R322-S326 VanDerWaalsContact O-CB 3.3Å; R322-S326 WeakPolarHBondContact O-CB 3.18Å; R322-S326 PolarHBondContact O-N 3.45Å; R322-S326 VanDerWaalsContact O-N 3.08Å; R322-S326 PolarHBondContact O-OG 3.39Å; L323-S326 CarbonylContact O-C 3.25Å; L323-S326 PolarHBondContact O-N 3.44Å; Y324-S326 PolarHBondContact O-N 3.49Å; Y324-S326 VanDerWaalsContact O-N 3.15Å; S326-Y328 PolarHBondContact O-N 2.84Å; S326-R389 PolarHBondContact O-NE 3.06Å; S326-R389 PolarHBondContact O-NH2 2.84Å
327	G	93.7	Very high	96	Very high	5 Å²	5	25.2 Å²	25.2	5%	0.052	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	16.7	175.9	0	0	0	0	0	115.7	L323 Y324 R389	L323-G327 PolarHBondContact O-N 2.89Å; L323-G327 VanDerWaalsContact O-N 3.15Å; Y324-G327 WeakPolarHBondContact O-CA 3.48Å; Y324-G327 PolarHBondContact O-N 3.12Å; G327-R389 WeakPolarHBondContact O-CG 3.5Å
328	Y	96.3	Very high	96	Very high	15 Å²	15	25.9 Å²	25.9	6%	0.059	13%	0.131	C	C	.	.	S	Bend	trans	-82.1	-29.1	177.6	-62	-75.2	0	0	0	113.7	L323 S326 P387 M388 R389 A391 E395 L396	L323-Y328 HydrophobicContact CD2-CD2 4.03Å; L323-Y328 HydrophobicContact CD2-CG 4.4Å; L323-Y328 PolarHBondContact O-N 2.87Å; S326-Y328 PolarHBondContact O-N 2.84Å; Y328-P387 CarbonylContact O-C 3.51Å; Y328-P387 WeakPolarHBondContact O-CA 3.5Å; Y328-M388 PolarHBondContact O-N 3.46Å; Y328-R389 HydrophobicContact CD1-CG 3.72Å; Y328-R389 HydrophobicContact CE1-CG 4.29Å; Y328-R389 VanDerWaalsContact CE1-NH2 3.29Å; Y328-R389 HydrophobicContact CG-CG 4.49Å; Y328-R389 PolarHBondContact OH-NH2 3.5Å; Y328-A391 HydrophobicContact CD1-CB 3.45Å; Y328-A391 VanDerWaalsContact CD1-CB 3.45Å; Y328-A391 HydrophobicContact CE1-CB 3.48Å; Y328-A391 VanDerWaalsContact CE1-CB 3.48Å; Y328-A391 HydrophobicContact CG-CB 4.38Å; Y328-E395 VanDerWaalsContact OH-CG 3.24Å; Y328-E395 WeakPolarHBondContact OH-CG 3.37Å; Y328-E395 PolarHBondContact OH-OE1 2.8Å; Y328-L396 HydrophobicContact CD1-CD2 4.45Å; Y328-L396 HydrophobicContact CD2-CD2 3.65Å; Y328-L396 HydrophobicContact CE1-CD2 4.16Å; Y328-L396 HydrophobicContact CE2-CD2 3.31Å; Y328-L396 HydrophobicContact CG-CD2 4.2Å
329	I	98.3	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-132.4	160.5	176.5	65.9	171.5	0	0	0	109.5	A320 L323 Y324 P332 I385 A386 M388 Y404 I407	A320-I329 HydrophobicContact CB-CD1 4.14Å; A320-I329 WeakPolarHBondContact O-CD1 3.27Å; L323-I329 HydrophobicContact CB-CD1 3.86Å; L323-I329 HydrophobicContact CB-CG1 3.72Å; L323-I329 HydrophobicContact CB-CG2 4.38Å; L323-I329 HydrophobicContact CD1-CD1 4.45Å; Y324-I329 WeakPolarHBondContact CA-O 3.37Å; I329-P332 HydrophobicContact CD1-CB 4.14Å; I329-I385 HydrophobicContact CD1-CG2 4.25Å; I329-A386 VanDerWaalsContact CA-O 3.29Å; I329-A386 WeakPolarHBondContact CA-O 3.44Å; I329-M388 VanDerWaalsContact C-CG 3.41Å; I329-Y404 HydrophobicContact CG2-CD2 4.25Å; I329-I407 HydrophobicContact CD1-CD1 3.9Å; I329-I407 HydrophobicContact CG2-CD1 4.08Å; I329-I407 HydrophobicContact CG2-CG2 4Å
330	N	97.4	Very high	95.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.13	C	C	.	.	S	Bend	trans	-75.2	178.5	165.9	66.9	-26.4	0	0	0	110.2	S148 A149 P383 P384 I385 A386 M388	S148-N330 CarbonylContact O-C 3.59Å; S148-N330 WeakPolarHBondContact O-CA 3.23Å; S148-N330 VanDerWaalsContact O-CB 3.29Å; S148-N330 WeakPolarHBondContact O-CB 3.26Å; A149-N330 HydrophobicContact CB-CB 4.07Å; N330-P383 PolarHBondContact ND2-O 3.27Å; N330-P384 PolarHBondContact ND2-O 3.39Å; N330-I385 VanDerWaalsContact OD1-CA 3.23Å; N330-I385 WeakPolarHBondContact OD1-CA 3.33Å; N330-A386 PolarHBondContact N-O 3.37Å; N330-A386 PolarHBondContact OD1-N 2.95Å; N330-A386 PolarHBondContact OD1-O 3.3Å; N330-M388 HydrophobicContact CB-CG 4.08Å; N330-M388 HydrophobicContact CB-SD 3.93Å; N330-M388 VanDerWaalsContact N-CG 3.26Å
331	Y	97.5	Very high	95.5	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	18%	0.175	C	C	.	.			trans	-59.7	124	-170.1	-165.4	-114.9	0	0	0	112.4	D116 D118 S148 Y324 R333 H382	D116-Y331 HydrophobicContact CB-CE2 3.61Å; D118-Y331 HydrophobicContact CB-CE1 3.95Å; D118-Y331 PolarHBondContact OD2-OH 2.75Å; S148-Y331 WeakPolarHBondContact O-CB 3.41Å; S148-Y331 PolarHBondContact O-N 2.91Å; Y324-Y331 AromaticContact CD1-CD2 3.93Å; Y324-Y331 HydrophobicContact CD1-CD2 3.93Å; Y324-Y331 HydrophobicContact CD1-CE2 4.32Å; Y324-Y331 HydrophobicContact CD2-CD2 4.05Å; Y324-Y331 AromaticContact CE1-CD2 3.63Å; Y324-Y331 HydrophobicContact CE1-CD2 3.63Å; Y324-Y331 AromaticContact CE1-CE2 3.9Å; Y324-Y331 HydrophobicContact CE1-CE2 3.9Å; Y324-Y331 AromaticContact CE2-CD2 3.74Å; Y324-Y331 HydrophobicContact CE2-CD2 3.74Å; Y324-Y331 HydrophobicContact CE2-CG 4.43Å; Y324-Y331 HydrophobicContact CG-CD2 4.13Å; Y324-Y331 AromaticContact CZ-CD2 3.52Å; Y331-R333 VanDerWaalsContact C-N 3.32Å; Y331-R333 HydrophobicContact CD1-CB 4.09Å; Y331-R333 HydrophobicContact CE1-CB 3.59Å; Y331-R333 HydrophobicContact CE1-CG 4.29Å; Y331-R333 PolarHBondContact O-N 3.17Å; Y331-H382 AromaticContact CD1-CD2 3.38Å; Y331-H382 WeakPolarHBondContact CD1-CD2 3.45Å; Y331-H382 AromaticContact CD1-NE2 3.37Å; Y331-H382 WeakPolarHBondContact CD1-NE2 3.32Å; Y331-H382 AromaticContact CE1-NE2 3.8Å
332	P	97.7	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-88.7	6.1	-166.8	35.8	-37.7	0	0	0	114.5	T298 M301 M317 A320 E321 I329 I385	T298-P332 PolarHBondContact OG1-O 3.01Å; M301-P332 HydrophobicContact CE-CB 4.32Å; M317-P332 HydrophobicContact SD-CG 4.37Å; A320-P332 HydrophobicContact CB-CB 3.56Å; A320-P332 HydrophobicContact CB-CG 3.9Å; E321-P332 HydrophobicContact CG-CG 4.33Å; I329-P332 HydrophobicContact CD1-CB 4.14Å; P332-I385 HydrophobicContact CB-CD1 4.34Å; P332-I385 WeakPolarHBondContact O-CD1 3.33Å
333	R	96.4	Very high	94.9	Very high	62 Å²	62	33.1 Å²	33.1	23%	0.234	18%	0.182	C	C	.	.			trans	-111	85.6	176.8	-60.4	177.1	175.7	-133.4	1	108.3	T298 M317 E321 Y331 A510	T298-R333 VanDerWaalsContact OG1-CA 3.23Å; T298-R333 WeakPolarHBondContact OG1-CA 3.47Å; M317-R333 HydrophobicContact CE-CG 4.2Å; M317-R333 HydrophobicContact SD-CG 3.79Å; E321-R333 IonicContact OE1-CZ 3.65Å; E321-R333 IonicContact OE1-NE 3.06Å; E321-R333 PolarHBondContact OE1-NE 3.27Å; E321-R333 IonicContact OE1-NH2 3.37Å; E321-R333 PolarHBondContact OE1-NH2 3.38Å; Y331-R333 VanDerWaalsContact C-N 3.32Å; Y331-R333 HydrophobicContact CD1-CB 4.09Å; Y331-R333 HydrophobicContact CE1-CB 3.59Å; Y331-R333 HydrophobicContact CE1-CG 4.29Å; Y331-R333 PolarHBondContact O-N 3.17Å; R333-A510 HydrophobicContact CB-CB 3.77Å; R333-A510 HydrophobicContact CG-CB 3.72Å
334	T	94.8	Very high	94.8	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	21%	0.205	C	C	.	.			trans	-145.1	139.6	-177.4	179.9	0	0	0	0	110.8	N297 T298 T336 D381 H382 I385	N297-T334 WeakPolarHBondContact CB-O 3.45Å; T298-T334 WeakPolarHBondContact CB-O 3.13Å; T298-T334 PolarHBondContact N-O 3.35Å; T298-T334 PolarHBondContact OG1-N 3.39Å; T298-T334 PolarHBondContact OG1-O 2.86Å; T298-T334 VanDerWaalsContact OG1-O 3.09Å; T334-T336 WeakPolarHBondContact OG1-CB 3.4Å; T334-T336 PolarHBondContact OG1-N 3.41Å; T334-T336 VanDerWaalsContact OG1-N 3.11Å; T334-D381 WeakPolarHBondContact CA-OD2 3.49Å; T334-D381 PolarHBondContact OG1-OD1 3.27Å; T334-D381 PolarHBondContact OG1-OD2 3.42Å; T334-H382 PolarHBondContact OG1-O 3.28Å; T334-I385 HydrophobicContact CG2-CD1 4.28Å; T334-I385 HydrophobicContact CG2-CG1 3.61Å
335	E	93.1	Very high	94.8	Very high	86 Å²	86	38.7 Å²	38.7	40%	0.402	21%	0.212	S	C	.	.			trans	-91.6	-15.5	171.2	-64.9	-176.5	-176.7	0	0	111.9	A379 D381	E335-A379 HydrophobicContact CB-CB 3.81Å; E335-D381 PolarHBondContact N-OD2 2.96Å
336	T	96.1	Very high	95	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	23%	0.234	C	C	.	.			trans	-70	134	-176.5	-68.6	0	0	0	0	112.7	T334 A338 H377 A379 D381 H382 P384	T334-T336 WeakPolarHBondContact OG1-CB 3.4Å; T334-T336 PolarHBondContact OG1-N 3.41Å; T334-T336 VanDerWaalsContact OG1-N 3.11Å; T336-A338 WeakPolarHBondContact CG2-O 3.43Å; T336-H377 CarbonylContact C-O 3.49Å; T336-H377 WeakPolarHBondContact CA-O 3.47Å; T336-A379 PolarHBondContact OG1-N 2.74Å; T336-D381 WeakPolarHBondContact CB-OD1 3.31Å; T336-D381 PolarHBondContact OG1-OD1 2.99Å; T336-H382 WeakPolarHBondContact CB-O 3.48Å; T336-H382 WeakPolarHBondContact CG2-O 3.32Å; T336-H382 PolarHBondContact OG1-O 3.19Å; T336-P384 HydrophobicContact CG2-CG 4.18Å
337	T	97.7	Very high	95.3	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.098	23%	0.228	C	C	.	.			trans	-118	-4	173	62.8	0	0	0	0	112.9	G295 N297 G376 H377	G295-T337 VanDerWaalsContact CA-O 3.28Å; G295-T337 WeakPolarHBondContact CA-O 3.45Å; G295-T337 PolarHBondContact N-O 2.92Å; G295-T337 WeakPolarHBondContact O-CB 3.37Å; G295-T337 WeakPolarHBondContact O-CG2 3.43Å; N297-T337 HydrophobicContact CB-CG2 3.79Å; T337-G376 WeakPolarHBondContact OG1-CA 3.21Å; T337-H377 PolarHBondContact N-O 3.08Å; T337-H377 PolarHBondContact OG1-N 2.97Å
338	A	98.1	Very high	95.4	Very high	22 Å²	22	44 Å²	44	18%	0.182	23%	0.229	C	C	.	.	S	Bend	trans	-94.4	126.4	174.5	0	0	0	0	0	111.5	T336 H377 D378 P384	T336-A338 WeakPolarHBondContact CG2-O 3.43Å; A338-H377 PolarHBondContact N-O 2.73Å; A338-H377 VanDerWaalsContact N-O 3.11Å; A338-D378 HydrophobicContact CB-CB 4.28Å; A338-P384 VanDerWaalsContact O-CD 3.29Å; A338-P384 WeakPolarHBondContact O-CD 3.48Å
339	Y	97.3	Very high	95.4	Very high	24 Å²	24	43.3 Å²	43.3	9%	0.094	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-74.1	133.3	171.2	-63.9	-78.3	0	0	0	110.4	F343 L345 P373 P384 F411 T414	Y339-F343 AromaticContact CD1-CD1 3.65Å; Y339-F343 HydrophobicContact CD1-CD1 3.65Å; Y339-F343 AromaticContact CD1-CE1 3.88Å; Y339-F343 HydrophobicContact CD1-CE1 3.88Å; Y339-F343 HydrophobicContact CD1-CG 4.38Å; Y339-F343 HydrophobicContact CE1-CD1 4.24Å; Y339-F343 HydrophobicContact CE1-CE1 4.06Å; Y339-L345 HydrophobicContact CD1-CD2 3.86Å; Y339-L345 HydrophobicContact CD2-CD2 4.3Å; Y339-L345 HydrophobicContact CE1-CD2 4.1Å; Y339-L345 HydrophobicContact CE2-CD2 4.49Å; Y339-L345 HydrophobicContact CG-CD2 3.96Å; Y339-P373 HydrophobicContact CD2-CB 3.56Å; Y339-P373 HydrophobicContact CD2-CG 3.69Å; Y339-P373 HydrophobicContact CE2-CB 3.86Å; Y339-P373 HydrophobicContact CE2-CG 4.41Å; Y339-P373 HydrophobicContact CG-CG 4.49Å; Y339-P384 HydrophobicContact CD1-CB 4.2Å; Y339-P384 HydrophobicContact CD1-CG 3.8Å; Y339-P384 HydrophobicContact CD2-CG 4.5Å; Y339-P384 HydrophobicContact CE1-CB 3.82Å; Y339-P384 HydrophobicContact CE1-CG 3.92Å; Y339-P384 HydrophobicContact CG-CG 4.11Å; Y339-F411 HydrophobicContact CE1-CD2 4.41Å; Y339-T414 HydrophobicContact CE2-CG2 4.28Å; Y339-T414 WeakPolarHBondContact CE2-OG1 3.4Å; Y339-T414 PolarHBondContact OH-OG1 2.99Å; Y339-T414 VanDerWaalsContact OH-OG1 3.06Å
340	P	94	Very high	95.4	Very high	50 Å²	50	48.2 Å²	48.2	33%	0.325	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-69.7	151.7	174.2	24.7	-27.4	0	0	0	110.8	T342 F343 P383	P340-T342 PolarHBondContact O-N 2.97Å; P340-F343 HydrophobicContact CG-CB 3.98Å; P340-F343 HydrophobicContact CG-CD2 4.18Å; P340-F343 HydrophobicContact CG-CG 4.42Å; P340-F343 WeakPolarHBondContact O-CB 3.49Å; P340-F343 PolarHBondContact O-N 3.01Å; P340-P383 HydrophobicContact CG-CB 4.26Å; P340-P383 HydrophobicContact CG-CG 4.08Å
341	N	90.6	Very high	95.3	Very high	177 Å²	177	52.2 Å²	52.2	95%	0.947	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.1	-178.9	-67.8	-26.1	0	0	0	113.6	F343	N341-F343 VanDerWaalsContact C-N 3.32Å
342	T	87.9	Confident	95.3	Very high	132 Å²	132	52 Å²	52	81%	0.81	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-3.8	177.9	54.7	0	0	0	0	113.5	P340 D344	P340-T342 PolarHBondContact O-N 2.97Å; T342-D344 PolarHBondContact O-N 3.47Å
343	F	89.8	Confident	95.2	Very high	33 Å²	33	53 Å²	53	15%	0.145	27%	0.273	C	S	.	.			trans	-78.4	115.8	-177.9	-148.7	-108.2	0	0	0	110.3	Y339 P340 N341 L345 L348 P383 A386 M388	Y339-F343 AromaticContact CD1-CD1 3.65Å; Y339-F343 HydrophobicContact CD1-CD1 3.65Å; Y339-F343 AromaticContact CD1-CE1 3.88Å; Y339-F343 HydrophobicContact CD1-CE1 3.88Å; Y339-F343 HydrophobicContact CD1-CG 4.38Å; Y339-F343 HydrophobicContact CE1-CD1 4.24Å; Y339-F343 HydrophobicContact CE1-CE1 4.06Å; P340-F343 HydrophobicContact CG-CB 3.98Å; P340-F343 HydrophobicContact CG-CD2 4.18Å; P340-F343 HydrophobicContact CG-CG 4.42Å; P340-F343 WeakPolarHBondContact O-CB 3.49Å; P340-F343 PolarHBondContact O-N 3.01Å; N341-F343 VanDerWaalsContact C-N 3.32Å; F343-L345 VanDerWaalsContact C-N 3.28Å; F343-L345 HydrophobicContact CD1-CD2 3.78Å; F343-L345 HydrophobicContact CE1-CD2 4.46Å; F343-L345 PolarHBondContact O-N 3.41Å; F343-L348 HydrophobicContact CD1-CD1 4.05Å; F343-L348 HydrophobicContact CE1-CD1 3.36Å; F343-L348 HydrophobicContact CZ-CD1 3.9Å; F343-P383 HydrophobicContact CD2-CB 3.78Å; F343-P383 HydrophobicContact CD2-CG 3.91Å; F343-P383 HydrophobicContact CE2-CB 3.45Å; F343-P383 VanDerWaalsContact CE2-CB 3.45Å; F343-P383 HydrophobicContact CE2-CG 3.68Å; F343-P383 HydrophobicContact CZ-CB 4.03Å; F343-A386 HydrophobicContact CE1-CB 4.02Å; F343-A386 HydrophobicContact CZ-CB 4.16Å; F343-M388 HydrophobicContact CZ-SD 4.48Å
344	D	94.1	Very high	95.1	Very high	94 Å²	94	56.2 Å²	56.2	50%	0.503	30%	0.295	S	S	.	.			trans	-77.1	73.5	-175.9	-176.6	14.2	0	0	0	112.5	T342 R346 G347 L348	T342-D344 PolarHBondContact O-N 3.47Å; D344-R346 PolarHBondContact O-N 2.74Å; D344-G347 PolarHBondContact O-N 2.57Å; D344-G347 PolarHBondContact OD1-N 2.56Å; D344-G347 WeakPolarHBondContact OD2-CA 3.42Å; D344-L348 WeakPolarHBondContact O-CG 3.34Å; D344-L348 PolarHBondContact O-N 3.01Å
345	L	96.8	Very high	95.1	Very high	27 Å²	27	56.3 Å²	56.3	14%	0.141	30%	0.295	C	S	.	.	H	α-helix	trans	-55.6	-37.9	179.5	-60.5	172.9	0	0	0	112.3	Y339 F343 L349 L370 P373 F411 I415	Y339-L345 HydrophobicContact CD1-CD2 3.86Å; Y339-L345 HydrophobicContact CD2-CD2 4.3Å; Y339-L345 HydrophobicContact CE1-CD2 4.1Å; Y339-L345 HydrophobicContact CE2-CD2 4.49Å; Y339-L345 HydrophobicContact CG-CD2 3.96Å; F343-L345 VanDerWaalsContact C-N 3.28Å; F343-L345 HydrophobicContact CD1-CD2 3.78Å; F343-L345 HydrophobicContact CE1-CD2 4.46Å; F343-L345 PolarHBondContact O-N 3.41Å; L345-L349 WeakPolarHBondContact O-CB 3.24Å; L345-L349 PolarHBondContact O-N 3.24Å; L345-L370 HydrophobicContact CB-CD2 4.01Å; L345-P373 HydrophobicContact CD1-CG 3.79Å; L345-F411 HydrophobicContact CD2-CE2 3.71Å; L345-F411 HydrophobicContact CD2-CZ 4.37Å; L345-I415 HydrophobicContact CD1-CG2 4.16Å
346	R	96.9	Very high	95.2	Very high	141 Å²	141	57.7 Å²	57.7	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-45.4	179.9	-174.7	175.4	-123.8	-117.1	-3.2	110.9	D344 L348 L349 Q350 L366 L370	D344-R346 PolarHBondContact O-N 2.74Å; R346-L348 VanDerWaalsContact C-N 3.35Å; R346-L349 PolarHBondContact O-N 3.02Å; R346-Q350 WeakPolarHBondContact O-CB 3.4Å; R346-Q350 PolarHBondContact O-N 3.11Å; R346-L366 HydrophobicContact CG-CD2 3.81Å; R346-L366 PolarHBondContact NH2-O 2.89Å; R346-L370 HydrophobicContact CB-CD2 4.35Å; R346-L370 HydrophobicContact CG-CD1 4.45Å
347	G	96.1	Very high	95.1	Very high	21 Å²	21	62.9 Å²	62.9	22%	0.216	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-43	175.2	0	0	0	0	0	112.4	D344 Q350 Q351	D344-G347 PolarHBondContact O-N 2.57Å; D344-G347 PolarHBondContact OD1-N 2.56Å; D344-G347 WeakPolarHBondContact OD2-CA 3.42Å; G347-Q350 WeakPolarHBondContact O-CB 3.19Å; G347-Q350 PolarHBondContact O-N 2.88Å; G347-Q351 WeakPolarHBondContact O-CG 3.2Å; G347-Q351 PolarHBondContact O-N 2.95Å
348	L	96	Very high	95.1	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-42.7	176.3	-64.7	-175	0	0	0	112.3	F343 D344 R346 Q350 Q351 A386 P387 M388 F411	F343-L348 HydrophobicContact CD1-CD1 4.05Å; F343-L348 HydrophobicContact CE1-CD1 3.36Å; F343-L348 HydrophobicContact CZ-CD1 3.9Å; D344-L348 WeakPolarHBondContact O-CG 3.34Å; D344-L348 PolarHBondContact O-N 3.01Å; R346-L348 VanDerWaalsContact C-N 3.35Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-Q350 PolarHBondContact O-N 3.49Å; L348-Q351 PolarHBondContact O-N 3.38Å; L348-A386 HydrophobicContact CD1-CB 4.32Å; L348-P387 WeakPolarHBondContact CD2-O 3.34Å; L348-M388 HydrophobicContact CD1-SD 4.44Å; L348-M388 HydrophobicContact CD2-CE 4.15Å; L348-M388 HydrophobicContact CD2-SD 4.16Å; L348-F411 HydrophobicContact CB-CE1 4.06Å; L348-F411 HydrophobicContact CB-CE2 4.39Å; L348-F411 HydrophobicContact CB-CZ 3.67Å; L348-F411 HydrophobicContact CD1-CE2 4.21Å; L348-F411 HydrophobicContact CD1-CZ 4.31Å
349	L	97.8	Very high	95	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-39.9	174.9	-177.2	62.9	0	0	0	112	L345 R346 Q351 Q352 A362 I365 L366 L370 F411 I412 I415	L345-L349 WeakPolarHBondContact O-CB 3.24Å; L345-L349 PolarHBondContact O-N 3.24Å; R346-L349 PolarHBondContact O-N 3.02Å; L349-Q351 PolarHBondContact O-N 3.13Å; L349-Q352 PolarHBondContact O-N 3.12Å; L349-A362 HydrophobicContact CD1-CB 3.63Å; L349-A362 HydrophobicContact CG-CB 4.23Å; L349-I365 HydrophobicContact CD2-CB 3.91Å; L349-I365 HydrophobicContact CD2-CG2 3.59Å; L349-L366 HydrophobicContact CB-CD2 4.4Å; L349-L366 HydrophobicContact CD2-CD2 3.92Å; L349-L366 HydrophobicContact CD2-CG 3.73Å; L349-L366 HydrophobicContact CG-CD1 4.34Å; L349-L366 HydrophobicContact CG-CD2 4.21Å; L349-L366 HydrophobicContact CG-CG 4.03Å; L349-L370 HydrophobicContact CD2-CD1 4.12Å; L349-L370 HydrophobicContact CD2-CD2 4.47Å; L349-L370 HydrophobicContact CD2-CG 4.23Å; L349-F411 HydrophobicContact CB-CE1 4.43Å; L349-I412 HydrophobicContact CD1-CD1 4.5Å; L349-I412 HydrophobicContact CD1-CG1 3.98Å; L349-I415 HydrophobicContact CB-CD1 4.16Å; L349-I415 HydrophobicContact CD1-CD1 4.19Å; L349-I415 HydrophobicContact CD2-CD1 3.86Å; L349-I415 HydrophobicContact CG-CD1 4.3Å
350	Q	97.4	Very high	95	Very high	103 Å²	103	65.3 Å²	65.3	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-58.3	-32.5	177.4	-170.7	67.8	47.6	0	0	112.2	R346 G347 L348 Q352 V353	R346-Q350 WeakPolarHBondContact O-CB 3.4Å; R346-Q350 PolarHBondContact O-N 3.11Å; G347-Q350 WeakPolarHBondContact O-CB 3.19Å; G347-Q350 PolarHBondContact O-N 2.88Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-Q350 PolarHBondContact O-N 3.49Å; Q350-Q352 PolarHBondContact O-N 2.95Å; Q350-V353 WeakPolarHBondContact O-CG2 3.41Å
351	Q	95.6	Very high	95.2	Very high	86 Å²	86	63.7 Å²	63.7	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-21.7	176.4	-60.1	-158	34.2	0	0	112.8	G347 L348 L349 M388 F390	G347-Q351 WeakPolarHBondContact O-CG 3.2Å; G347-Q351 PolarHBondContact O-N 2.95Å; L348-Q351 PolarHBondContact O-N 3.38Å; L349-Q351 PolarHBondContact O-N 3.13Å; Q351-M388 PolarHBondContact NE2-O 3.42Å; Q351-M388 PolarHBondContact OE1-O 2.89Å; Q351-F390 WeakPolarHBondContact O-CB 3.24Å
352	Q	97	Very high	95.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.4	-173.6	-55.3	-55.8	-36.2	0	0	114.5	L349 Q350 N354 N355 Y404 T408	L349-Q352 PolarHBondContact O-N 3.12Å; Q350-Q352 PolarHBondContact O-N 2.95Å; Q352-N354 PolarHBondContact O-N 3.05Å; Q352-N354 VanDerWaalsContact O-N 3.12Å; Q352-N355 WeakPolarHBondContact O-CB 3.24Å; Q352-N355 PolarHBondContact O-N 3.17Å; Q352-N355 VanDerWaalsContact O-N 3.08Å; Q352-Y404 PolarHBondContact NE2-OH 2.99Å; Q352-Y404 PolarHBondContact OE1-OH 3.09Å; Q352-Y404 VanDerWaalsContact OE1-OH 3.08Å; Q352-T408 HydrophobicContact CG-CG2 4.01Å
353	V	96.8	Very high	96	Very high	19 Å²	19	55 Å²	55	12%	0.115	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.4	-173.7	-60.4	0	0	0	0	115	Q350 G359 A362 R363 L366	Q350-V353 WeakPolarHBondContact O-CG2 3.41Å; V353-G359 VanDerWaalsContact O-CA 3.25Å; V353-G359 WeakPolarHBondContact O-CA 3.37Å; V353-A362 HydrophobicContact CG1-CB 4.19Å; V353-R363 HydrophobicContact CB-CG 3.98Å; V353-R363 HydrophobicContact CG1-CG 4.01Å; V353-L366 HydrophobicContact CG1-CD1 3.46Å; V353-L366 VanDerWaalsContact CG1-CD1 3.46Å
354	N	93.9	Very high	96.4	Very high	130 Å²	130	57.7 Å²	57.7	70%	0.695	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.2	-179.7	-64.7	-35.5	0	0	0	113	Q352	Q352-N354 PolarHBondContact O-N 3.05Å; Q352-N354 VanDerWaalsContact O-N 3.12Å
355	N	95	Very high	96.5	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.027	27%	0.268	C	S	.	.			trans	-72.5	131.6	177.9	-170	-72.7	0	0	0	110.7	Q352 L357 W358 G359 F390	Q352-N355 WeakPolarHBondContact O-CB 3.24Å; Q352-N355 PolarHBondContact O-N 3.17Å; Q352-N355 VanDerWaalsContact O-N 3.08Å; N355-L357 VanDerWaalsContact C-N 3.26Å; N355-L357 PolarHBondContact O-N 3.44Å; N355-L357 WeakPolarHBondContact OD1-CB 3.27Å; N355-L357 PolarHBondContact OD1-N 3.1Å; N355-W358 HydrophobicContact CB-CD2 4.24Å; N355-W358 HydrophobicContact CB-CG 4.28Å; N355-W358 HydrophobicContact CB-CZ2 4.22Å; N355-W358 VanDerWaalsContact CG-CZ2 3.43Å; N355-W358 WeakPolarHBondContact ND2-CZ2 3.44Å; N355-G359 WeakPolarHBondContact O-CA 3.32Å; N355-G359 PolarHBondContact O-N 2.92Å; N355-F390 HydrophobicContact CB-CD2 4.26Å; N355-F390 HydrophobicContact CB-CE2 3.77Å
356	P	94.2	Very high	96.6	Very high	115 Å²	115	53.1 Å²	53.1	75%	0.747	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.1	180	-24	34.2	0	0	0	115.3
357	L	94.4	Very high	96.5	Very high	112 Å²	112	54.8 Å²	54.8	59%	0.586	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-37	-172.9	-61.2	172.7	0	0	0	112.8	N355 E405	N355-L357 VanDerWaalsContact C-N 3.26Å; N355-L357 PolarHBondContact O-N 3.44Å; N355-L357 WeakPolarHBondContact OD1-CB 3.27Å; N355-L357 PolarHBondContact OD1-N 3.1Å; L357-E405 WeakPolarHBondContact CD1-OE1 3.34Å
358	W	96.5	Very high	96.5	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.019	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	4.3	-175.9	53.3	77.1	0	0	0	114.2	N355 D360 L361 A362 E405 T408 Q409 I412 I451	N355-W358 HydrophobicContact CB-CD2 4.24Å; N355-W358 HydrophobicContact CB-CG 4.28Å; N355-W358 HydrophobicContact CB-CZ2 4.22Å; N355-W358 VanDerWaalsContact CG-CZ2 3.43Å; N355-W358 WeakPolarHBondContact ND2-CZ2 3.44Å; W358-D360 PolarHBondContact O-N 2.98Å; W358-L361 WeakPolarHBondContact O-CB 3.49Å; W358-L361 PolarHBondContact O-N 3.23Å; W358-L361 VanDerWaalsContact O-N 3.17Å; W358-A362 PolarHBondContact O-N 3.5Å; W358-E405 HydrophobicContact CH2-CB 4.1Å; W358-E405 HydrophobicContact CH2-CG 3.86Å; W358-E405 HydrophobicContact CZ3-CB 4.46Å; W358-E405 HydrophobicContact CZ3-CG 3.72Å; W358-T408 HydrophobicContact CZ2-CG2 3.56Å; W358-Q409 HydrophobicContact CE3-CG 3.89Å; W358-Q409 HydrophobicContact CZ3-CG 3.96Å; W358-I412 HydrophobicContact CB-CD1 4.28Å; W358-I412 VanDerWaalsContact CD1-CD1 3.42Å; W358-I412 HydrophobicContact CG-CD1 3.83Å; W358-I451 HydrophobicContact CB-CD1 3.89Å; W358-I451 HydrophobicContact CG-CD1 4.36Å
359	G	97	Very high	96.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-37.8	-176.9	0	0	0	0	0	113.6	V353 N355 A362 R363	V353-G359 VanDerWaalsContact O-CA 3.25Å; V353-G359 WeakPolarHBondContact O-CA 3.37Å; N355-G359 WeakPolarHBondContact O-CA 3.32Å; N355-G359 PolarHBondContact O-N 2.92Å; G359-A362 PolarHBondContact O-N 3.43Å; G359-R363 PolarHBondContact O-N 3.29Å
360	D	97.3	Very high	96.4	Very high	106 Å²	106	61.6 Å²	61.6	57%	0.567	33%	0.326	S	S	*	.	H	α-helix	trans	-60	-46.8	172.1	-75.7	-55	0	0	0	111.6	W358 A362 R363 E364	W358-D360 PolarHBondContact O-N 2.98Å; D360-A362 VanDerWaalsContact C-N 3.35Å; D360-A362 PolarHBondContact O-N 2.96Å; D360-R363 VanDerWaalsContact CG-NH2 3.34Å; D360-R363 WeakPolarHBondContact O-CB 3.48Å; D360-R363 PolarHBondContact O-N 2.72Å; D360-R363 IonicContact OD1-CZ 3.01Å; D360-R363 IonicContact OD1-NH1 2.74Å; D360-R363 PolarHBondContact OD1-NH1 2.74Å; D360-R363 IonicContact OD1-NH2 3.08Å; D360-R363 PolarHBondContact OD1-NH2 3.34Å; D360-R363 IonicContact OD2-NH2 2.76Å; D360-E364 PolarHBondContact O-N 2.9Å
361	L	97.2	Very high	96.4	Very high	16 Å²	16	58.2 Å²	58.2	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-39.7	178.3	-177.9	62.8	0	0	0	111.7	W358 R363 E364 I365 M416 I451	W358-L361 WeakPolarHBondContact O-CB 3.49Å; W358-L361 PolarHBondContact O-N 3.23Å; W358-L361 VanDerWaalsContact O-N 3.17Å; L361-R363 PolarHBondContact O-N 3.16Å; L361-E364 WeakPolarHBondContact O-CB 3.09Å; L361-E364 PolarHBondContact O-N 2.76Å; L361-I365 HydrophobicContact CD1-CD1 4.29Å; L361-I365 HydrophobicContact CD1-CG1 4.47Å; L361-I365 HydrophobicContact CG-CD1 3.98Å; L361-I365 WeakPolarHBondContact O-CD1 3.5Å; L361-I365 VanDerWaalsContact O-CG1 3.28Å; L361-I365 WeakPolarHBondContact O-CG1 3.48Å; L361-I365 PolarHBondContact O-N 3.4Å; L361-M416 HydrophobicContact CD1-CE 3.92Å; L361-M416 HydrophobicContact CD2-CE 3.89Å; L361-M416 HydrophobicContact CD2-SD 3.92Å; L361-M416 HydrophobicContact CG-CE 4.33Å; L361-I451 HydrophobicContact CD2-CB 3.85Å; L361-I451 HydrophobicContact CD2-CD1 4.21Å; L361-I451 HydrophobicContact CD2-CG1 4.32Å
362	A	97.5	Very high	96.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-43	175	0	0	0	0	0	111.6	L349 V353 W358 G359 D360 I365 L366	L349-A362 HydrophobicContact CD1-CB 3.63Å; L349-A362 HydrophobicContact CG-CB 4.23Å; V353-A362 HydrophobicContact CG1-CB 4.19Å; W358-A362 PolarHBondContact O-N 3.5Å; G359-A362 PolarHBondContact O-N 3.43Å; D360-A362 VanDerWaalsContact C-N 3.35Å; D360-A362 PolarHBondContact O-N 2.96Å; A362-I365 PolarHBondContact O-N 3.49Å; A362-L366 WeakPolarHBondContact O-CB 3.17Å; A362-L366 WeakPolarHBondContact O-CD1 3.35Å; A362-L366 VanDerWaalsContact O-CG 3.24Å; A362-L366 WeakPolarHBondContact O-CG 3.04Å; A362-L366 PolarHBondContact O-N 2.93Å
363	R	98.3	Very high	96.4	Very high	128 Å²	128	60.6 Å²	60.6	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-41.7	174.3	-78.6	-175.1	-89.6	112.3	-6.5	112.3	V353 G359 D360 L361 L366 H367	V353-R363 HydrophobicContact CB-CG 3.98Å; V353-R363 HydrophobicContact CG1-CG 4.01Å; G359-R363 PolarHBondContact O-N 3.29Å; D360-R363 VanDerWaalsContact CG-NH2 3.34Å; D360-R363 WeakPolarHBondContact O-CB 3.48Å; D360-R363 PolarHBondContact O-N 2.72Å; D360-R363 IonicContact OD1-CZ 3.01Å; D360-R363 IonicContact OD1-NH1 2.74Å; D360-R363 PolarHBondContact OD1-NH1 2.74Å; D360-R363 IonicContact OD1-NH2 3.08Å; D360-R363 PolarHBondContact OD1-NH2 3.34Å; D360-R363 IonicContact OD2-NH2 2.76Å; L361-R363 PolarHBondContact O-N 3.16Å; R363-L366 PolarHBondContact O-N 2.96Å; R363-H367 PolarHBondContact O-N 2.92Å; R363-H367 VanDerWaalsContact O-N 3.13Å
364	E	97.7	Very high	96.4	Very high	88 Å²	88	65 Å²	65	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-58.1	-52.4	175.7	-173.4	-169.4	144.7	0	0	111.1	D360 L361 L366 H367 S368 R450	D360-E364 PolarHBondContact O-N 2.9Å; L361-E364 WeakPolarHBondContact O-CB 3.09Å; L361-E364 PolarHBondContact O-N 2.76Å; E364-L366 VanDerWaalsContact C-N 3.33Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-H367 WeakPolarHBondContact O-CB 3.46Å; E364-H367 PolarHBondContact O-N 3.4Å; E364-S368 PolarHBondContact O-N 2.93Å; E364-S368 PolarHBondContact O-OG 3.43Å; E364-S368 VanDerWaalsContact O-OG 3.09Å; E364-R450 IonicContact OE1-CZ 2.81Å; E364-R450 IonicContact OE1-NH1 3.2Å; E364-R450 PolarHBondContact OE1-NH1 3.47Å; E364-R450 IonicContact OE1-NH2 3.29Å; E364-R450 IonicContact OE2-CZ 2.73Å; E364-R450 IonicContact OE2-NH1 2.92Å; E364-R450 PolarHBondContact OE2-NH1 3.05Å; E364-R450 IonicContact OE2-NH2 2.66Å; E364-R450 PolarHBondContact OE2-NH2 3.28Å
365	I	97.5	Very high	96.4	Very high	9 Å²	9	62.9 Å²	62.9	5%	0.046	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-38.6	-179.7	-63.6	161.5	0	0	0	111.6	L349 L361 A362 H367 G369 L370 I412 M416	L349-I365 HydrophobicContact CD2-CB 3.91Å; L349-I365 HydrophobicContact CD2-CG2 3.59Å; L361-I365 HydrophobicContact CD1-CD1 4.29Å; L361-I365 HydrophobicContact CD1-CG1 4.47Å; L361-I365 HydrophobicContact CG-CD1 3.98Å; L361-I365 WeakPolarHBondContact O-CD1 3.5Å; L361-I365 VanDerWaalsContact O-CG1 3.28Å; L361-I365 WeakPolarHBondContact O-CG1 3.48Å; L361-I365 PolarHBondContact O-N 3.4Å; A362-I365 PolarHBondContact O-N 3.49Å; I365-H367 PolarHBondContact O-N 3.42Å; I365-G369 CarbonylContact O-C 3.54Å; I365-G369 VanDerWaalsContact O-C 3.26Å; I365-G369 WeakPolarHBondContact O-CA 3.28Å; I365-G369 PolarHBondContact O-N 3.48Å; I365-L370 HydrophobicContact CG2-CD1 4.18Å; I365-L370 HydrophobicContact CG2-CG 3.99Å; I365-I412 HydrophobicContact CD1-CG2 3.8Å; I365-M416 HydrophobicContact CD1-CG 3.55Å; I365-M416 HydrophobicContact CD1-SD 4.12Å; I365-M416 HydrophobicContact CG1-CG 4.37Å
366	L	97.4	Very high	96.5	Very high	17 Å²	17	64 Å²	64	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-32.4	176.1	-74.5	163	0	0	0	112.3	R346 L349 V353 A362 R363 E364 L370	R346-L366 HydrophobicContact CG-CD2 3.81Å; R346-L366 PolarHBondContact NH2-O 2.89Å; L349-L366 HydrophobicContact CB-CD2 4.4Å; L349-L366 HydrophobicContact CD2-CD2 3.92Å; L349-L366 HydrophobicContact CD2-CG 3.73Å; L349-L366 HydrophobicContact CG-CD1 4.34Å; L349-L366 HydrophobicContact CG-CD2 4.21Å; L349-L366 HydrophobicContact CG-CG 4.03Å; V353-L366 HydrophobicContact CG1-CD1 3.46Å; V353-L366 VanDerWaalsContact CG1-CD1 3.46Å; A362-L366 WeakPolarHBondContact O-CB 3.17Å; A362-L366 WeakPolarHBondContact O-CD1 3.35Å; A362-L366 VanDerWaalsContact O-CG 3.24Å; A362-L366 WeakPolarHBondContact O-CG 3.04Å; A362-L366 PolarHBondContact O-N 2.93Å; R363-L366 PolarHBondContact O-N 2.96Å; E364-L366 VanDerWaalsContact C-N 3.33Å; E364-L366 PolarHBondContact O-N 3.4Å; L366-L370 HydrophobicContact CD2-CD1 4.43Å
367	H	96.8	Very high	96.5	Very high	176 Å²	176	64.1 Å²	64.1	82%	0.815	35%	0.354	S	S	*	.	H	α-helix	trans	-80.3	-47.5	178.8	-172.7	73.3	0	0	0	112.5	R363 E364 I365	R363-H367 PolarHBondContact O-N 2.92Å; R363-H367 VanDerWaalsContact O-N 3.13Å; E364-H367 WeakPolarHBondContact O-CB 3.46Å; E364-H367 PolarHBondContact O-N 3.4Å; I365-H367 PolarHBondContact O-N 3.42Å
368	S	94.7	Very high	96.6	Very high	93 Å²	93	63.8 Å²	63.8	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-76.4	-21.8	-178.8	58.9	0	0	0	0	113.6	E364	E364-S368 PolarHBondContact O-N 2.93Å; E364-S368 PolarHBondContact O-OG 3.43Å; E364-S368 VanDerWaalsContact O-OG 3.09Å
369	G	95	Very high	96.3	Very high	36 Å²	36	65.4 Å²	65.4	37%	0.371	37%	0.367	S	S	.	.			trans	105.6	144	-176.5	0	0	0	0	0	112.1	I365	I365-G369 CarbonylContact O-C 3.54Å; I365-G369 VanDerWaalsContact O-C 3.26Å; I365-G369 WeakPolarHBondContact O-CA 3.28Å; I365-G369 PolarHBondContact O-N 3.48Å
370	L	96.9	Very high	95.8	Very high	48 Å²	48	68.7 Å²	68.7	25%	0.251	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-75.5	136.6	178.7	-76.5	69.1	0	0	0	109.7	L345 R346 L349 I365 L366 I415	L345-L370 HydrophobicContact CB-CD2 4.01Å; R346-L370 HydrophobicContact CB-CD2 4.35Å; R346-L370 HydrophobicContact CG-CD1 4.45Å; L349-L370 HydrophobicContact CD2-CD1 4.12Å; L349-L370 HydrophobicContact CD2-CD2 4.47Å; L349-L370 HydrophobicContact CD2-CG 4.23Å; I365-L370 HydrophobicContact CG2-CD1 4.18Å; I365-L370 HydrophobicContact CG2-CG 3.99Å; L366-L370 HydrophobicContact CD2-CD1 4.43Å; L370-I415 HydrophobicContact CD2-CB 4.4Å; L370-I415 HydrophobicContact CD2-CD1 3.81Å; L370-I415 HydrophobicContact CD2-CG2 4.47Å; L370-I415 HydrophobicContact CG-CB 4.49Å; L370-I415 HydrophobicContact CG-CD1 4.18Å
371	T	97.1	Very high	95.4	Very high	33 Å²	33	66 Å²	66	20%	0.202	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-72.6	131.2	166.1	-60.5	0	0	0	0	108.2	I415	T371-I415 WeakPolarHBondContact CB-O 3.3Å; T371-I415 PolarHBondContact N-O 3.34Å; T371-I415 WeakPolarHBondContact O-CA 3.41Å
372	P	96.1	Very high	95.3	Very high	98 Å²	98	65.5 Å²	65.5	64%	0.636	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-55	133.5	174.4	-26	34.6	0	0	0	110.4	R292	R292-P372 PolarHBondContact NE-O 3.04Å; R292-P372 PolarHBondContact NH2-O 3.01Å
373	P	97.1	Very high	95.2	Very high	38 Å²	38	66.4 Å²	66.4	25%	0.247	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-62.1	149.9	179.7	26.3	-34.2	0	0	0	111	Y339 L345 T414	Y339-P373 HydrophobicContact CD2-CB 3.56Å; Y339-P373 HydrophobicContact CD2-CG 3.69Å; Y339-P373 HydrophobicContact CE2-CB 3.86Å; Y339-P373 HydrophobicContact CE2-CG 4.41Å; Y339-P373 HydrophobicContact CG-CG 4.49Å; L345-P373 HydrophobicContact CD1-CG 3.79Å; P373-T414 WeakPolarHBondContact CA-O 3.4Å
374	R	96.6	Very high	95.2	Very high	110 Å²	110	60.3 Å²	60.3	42%	0.415	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-63.3	138.8	178.4	-174.4	175.9	170.9	-168.1	-2.9	110	Q294 G376	Q294-R374 HydrophobicContact CG-CB 4.35Å; Q294-R374 HydrophobicContact CG-CG 4.21Å; R374-G376 PolarHBondContact O-N 2.86Å
375	A	95.1	Very high	95.3	Very high	87 Å²	87	56.1 Å²	56.1	72%	0.719	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-55.2	131	174.1	0	0	0	0	0	110.7	Q294	Q294-A375 PolarHBondContact NE2-O 3.01Å
376	G	95.7	Very high	95.3	Very high	29 Å²	29	55.7 Å²	55.7	30%	0.299	35%	0.345	S	S	.	.			trans	-119.6	-162.2	179	0	0	0	0	0	111.9	T337 R374	T337-G376 WeakPolarHBondContact OG1-CA 3.21Å; R374-G376 PolarHBondContact O-N 2.86Å
377	H	95.5	Very high	95.3	Very high	117 Å²	117	54.9 Å²	54.9	54%	0.542	34%	0.341	S	S	.	.			trans	-100.9	133	170.4	-178.7	55.9	0	0	0	109.2	T336 T337 A338	T336-H377 CarbonylContact C-O 3.49Å; T336-H377 WeakPolarHBondContact CA-O 3.47Å; T337-H377 PolarHBondContact N-O 3.08Å; T337-H377 PolarHBondContact OG1-N 2.97Å; A338-H377 PolarHBondContact N-O 2.73Å; A338-H377 VanDerWaalsContact N-O 3.11Å
378	D	94.9	Very high	95.3	Very high	105 Å²	105	47.7 Å²	47.7	56%	0.561	31%	0.308	S	S	*	.			trans	-101.5	112.1	169.2	-179	7.9	0	0	0	108.1	A338 G380	A338-D378 HydrophobicContact CB-CB 4.28Å; D378-G380 VanDerWaalsContact C-N 3.29Å; D378-G380 WeakPolarHBondContact OD1-CA 3.18Å; D378-G380 PolarHBondContact OD1-N 2.93Å
379	A	90.4	Very high	95.2	Very high	38 Å²	38	47.3 Å²	47.3	31%	0.314	29%	0.292	S	S	.	.			trans	-85.1	-6.6	178.4	0	0	0	0	0	112.1	E335 T336 D381	E335-A379 HydrophobicContact CB-CB 3.81Å; T336-A379 PolarHBondContact OG1-N 2.74Å; A379-D381 VanDerWaalsContact C-N 3.32Å
380	G	86.4	Confident	95.2	Very high	70 Å²	70	48.8 Å²	48.8	72%	0.722	29%	0.288	S	S	*	.	S	Bend	trans	75.4	17.8	-178.7	0	0	0	0	0	114.2	D378	D378-G380 VanDerWaalsContact C-N 3.29Å; D378-G380 WeakPolarHBondContact OD1-CA 3.18Å; D378-G380 PolarHBondContact OD1-N 2.93Å
381	D	89.5	Confident	95	Very high	50 Å²	50	46.5 Å²	46.5	27%	0.267	28%	0.277	S	S	.	.	S	Bend	trans	-99	-82.2	179.2	55.2	-2.6	0	0	0	111.7	T334 E335 T336 A379	T334-D381 WeakPolarHBondContact CA-OD2 3.49Å; T334-D381 PolarHBondContact OG1-OD1 3.27Å; T334-D381 PolarHBondContact OG1-OD2 3.42Å; E335-D381 PolarHBondContact N-OD2 2.96Å; T336-D381 WeakPolarHBondContact CB-OD1 3.31Å; T336-D381 PolarHBondContact OG1-OD1 2.99Å; A379-D381 VanDerWaalsContact C-N 3.32Å
382	H	94.8	Very high	94.8	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.028	28%	0.277	C	S	.	.			trans	-137.3	152.8	-175	-69.3	-65.4	0	0	0	110.6	C117 S148 Y331 T334 T336	C117-H382 VanDerWaalsContact CB-CE1 3.49Å; C117-H382 WeakPolarHBondContact CB-CE1 3.49Å; C117-H382 PolarHBondContact O-NE2 3.09Å; S148-H382 PolarHBondContact OG-ND1 2.69Å; Y331-H382 AromaticContact CD1-CD2 3.38Å; Y331-H382 WeakPolarHBondContact CD1-CD2 3.45Å; Y331-H382 AromaticContact CD1-NE2 3.37Å; Y331-H382 WeakPolarHBondContact CD1-NE2 3.32Å; Y331-H382 AromaticContact CE1-NE2 3.8Å; T334-H382 PolarHBondContact OG1-O 3.28Å; T336-H382 WeakPolarHBondContact CB-O 3.48Å; T336-H382 WeakPolarHBondContact CG2-O 3.32Å; T336-H382 PolarHBondContact OG1-O 3.19Å
383	P	96.6	Very high	94.6	Very high	18 Å²	18	44.4 Å²	44.4	12%	0.117	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57	159.6	170.9	-20.9	32.5	0	0	0	112.1	S148 N330 P340 F343	S148-P383 WeakPolarHBondContact OG-CD 3.34Å; N330-P383 PolarHBondContact ND2-O 3.27Å; P340-P383 HydrophobicContact CG-CB 4.26Å; P340-P383 HydrophobicContact CG-CG 4.08Å; F343-P383 HydrophobicContact CD2-CB 3.78Å; F343-P383 HydrophobicContact CD2-CG 3.91Å; F343-P383 HydrophobicContact CE2-CB 3.45Å; F343-P383 VanDerWaalsContact CE2-CB 3.45Å; F343-P383 HydrophobicContact CE2-CG 3.68Å; F343-P383 HydrophobicContact CZ-CB 4.03Å
384	P	98.3	Very high	94.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-55.4	149.6	175.3	-22.1	32.8	0	0	0	112	L296 N330 T336 A338 Y339 A386	L296-P384 CarbonylContact O-C 3.52Å; L296-P384 WeakPolarHBondContact O-CA 3.29Å; L296-P384 WeakPolarHBondContact O-CB 3.46Å; N330-P384 PolarHBondContact ND2-O 3.39Å; T336-P384 HydrophobicContact CG2-CG 4.18Å; A338-P384 VanDerWaalsContact O-CD 3.29Å; A338-P384 WeakPolarHBondContact O-CD 3.48Å; Y339-P384 HydrophobicContact CD1-CB 4.2Å; Y339-P384 HydrophobicContact CD1-CG 3.8Å; Y339-P384 HydrophobicContact CD2-CG 4.5Å; Y339-P384 HydrophobicContact CE1-CB 3.82Å; Y339-P384 HydrophobicContact CE1-CG 3.92Å; Y339-P384 HydrophobicContact CG-CG 4.11Å; P384-A386 PolarHBondContact O-N 3.14Å
385	I	98.7	Very high	94.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-61.8	118.9	-178.3	-51.3	176.1	0	0	0	109.5	L296 M301 I329 N330 P332 T334 I407	L296-I385 HydrophobicContact CB-CB 4.19Å; L296-I385 HydrophobicContact CD2-CB 4.11Å; L296-I385 HydrophobicContact CD2-CG2 4.35Å; L296-I385 HydrophobicContact CG-CB 4.17Å; L296-I385 PolarHBondContact O-N 3.5Å; M301-I385 HydrophobicContact CB-CD1 4.16Å; M301-I385 HydrophobicContact CE-CD1 4.19Å; M301-I385 HydrophobicContact SD-CD1 3.83Å; I329-I385 HydrophobicContact CD1-CG2 4.25Å; N330-I385 VanDerWaalsContact OD1-CA 3.23Å; N330-I385 WeakPolarHBondContact OD1-CA 3.33Å; P332-I385 HydrophobicContact CB-CD1 4.34Å; P332-I385 WeakPolarHBondContact O-CD1 3.33Å; T334-I385 HydrophobicContact CG2-CD1 4.28Å; T334-I385 HydrophobicContact CG2-CG1 3.61Å; I385-I407 HydrophobicContact CG2-CD1 4.09Å; I385-I407 HydrophobicContact CG2-CG1 4.34Å; I385-I407 HydrophobicContact CG2-CG2 4.03Å
386	A	98.2	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.			trans	-144.2	153.2	-173.1	0	0	0	0	0	111.5	I329 N330 F343 L348 P384 F411	I329-A386 VanDerWaalsContact CA-O 3.29Å; I329-A386 WeakPolarHBondContact CA-O 3.44Å; N330-A386 PolarHBondContact N-O 3.37Å; N330-A386 PolarHBondContact OD1-N 2.95Å; N330-A386 PolarHBondContact OD1-O 3.3Å; F343-A386 HydrophobicContact CE1-CB 4.02Å; F343-A386 HydrophobicContact CZ-CB 4.16Å; L348-A386 HydrophobicContact CD1-CB 4.32Å; P384-A386 PolarHBondContact O-N 3.14Å; A386-F411 HydrophobicContact CB-CD2 3.98Å
387	P	97.7	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-70.3	131.5	174.1	31.9	-36	0	0	0	110.5	Y328 L348 Y404 T408 F411	Y328-P387 CarbonylContact O-C 3.51Å; Y328-P387 WeakPolarHBondContact O-CA 3.5Å; L348-P387 WeakPolarHBondContact CD2-O 3.34Å; P387-Y404 HydrophobicContact CB-CE2 4.13Å; P387-T408 HydrophobicContact CG-CG2 4.19Å; P387-F411 VanDerWaalsContact CD-CB 3.47Å; P387-F411 HydrophobicContact CG-CB 4.14Å; P387-F411 HydrophobicContact CG-CD1 3.77Å; P387-F411 HydrophobicContact CG-CE1 4.48Å; P387-F411 HydrophobicContact CG-CG 4.02Å
388	M	95.8	Very high	93.9	Very high	25 Å²	25	48.7 Å²	48.7	12%	0.123	28%	0.275	C	S	.	.			trans	-101.4	-21.9	179.4	-60.4	-54.7	-60.8	0	0	113	A149 T151 Y328 I329 N330 F343 L348 Q351	A149-M388 HydrophobicContact CB-CE 3.84Å; A149-M388 HydrophobicContact CB-CG 4.08Å; A149-M388 HydrophobicContact CB-SD 4.3Å; T151-M388 HydrophobicContact CG2-CB 3.95Å; T151-M388 HydrophobicContact CG2-CE 3.91Å; T151-M388 HydrophobicContact CG2-CG 4.47Å; Y328-M388 PolarHBondContact O-N 3.46Å; I329-M388 VanDerWaalsContact C-CG 3.41Å; N330-M388 HydrophobicContact CB-CG 4.08Å; N330-M388 HydrophobicContact CB-SD 3.93Å; N330-M388 VanDerWaalsContact N-CG 3.26Å; F343-M388 HydrophobicContact CZ-SD 4.48Å; L348-M388 HydrophobicContact CD1-SD 4.44Å; L348-M388 HydrophobicContact CD2-CE 4.15Å; L348-M388 HydrophobicContact CD2-SD 4.16Å; Q351-M388 PolarHBondContact NE2-O 3.42Å; Q351-M388 PolarHBondContact OE1-O 2.89Å
389	R	92.8	Very high	93.7	Very high	86 Å²	86	48.8 Å²	48.8	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-151.8	157.8	169.1	70.8	-177.1	173.9	114.7	-9.1	112.6	S326 G327 Y328 E395 Y404	S326-R389 PolarHBondContact O-NE 3.06Å; S326-R389 PolarHBondContact O-NH2 2.84Å; G327-R389 WeakPolarHBondContact O-CG 3.5Å; Y328-R389 HydrophobicContact CD1-CG 3.72Å; Y328-R389 HydrophobicContact CE1-CG 4.29Å; Y328-R389 VanDerWaalsContact CE1-NH2 3.29Å; Y328-R389 HydrophobicContact CG-CG 4.49Å; Y328-R389 PolarHBondContact OH-NH2 3.5Å; R389-E395 IonicContact CZ-OE1 3.8Å; R389-E395 IonicContact NH1-OE1 3Å; R389-E395 PolarHBondContact NH1-OE1 2.72Å; R389-E395 IonicContact NH2-OE1 3.5Å; R389-Y404 PolarHBondContact O-OH 3.07Å
390	F	94.4	Very high	94	Very high	66 Å²	66	47.9 Å²	47.9	29%	0.289	26%	0.264	S	S	.	.			trans	-61	141.6	171	172.5	-103.3	0	0	0	111.8	Q351 N355 Y404	Q351-F390 WeakPolarHBondContact O-CB 3.24Å; N355-F390 HydrophobicContact CB-CD2 4.26Å; N355-F390 HydrophobicContact CB-CE2 3.77Å; F390-Y404 WeakPolarHBondContact CA-OH 3.37Å
391	A	93.9	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.			trans	-137.1	144.3	172.4	0	0	0	0	0	110.2	Y328 L396 Y404	Y328-A391 HydrophobicContact CD1-CB 3.45Å; Y328-A391 VanDerWaalsContact CD1-CB 3.45Å; Y328-A391 HydrophobicContact CE1-CB 3.48Å; Y328-A391 VanDerWaalsContact CE1-CB 3.48Å; Y328-A391 HydrophobicContact CG-CB 4.38Å; A391-L396 HydrophobicContact CB-CD1 3.48Å; A391-L396 VanDerWaalsContact CB-CD1 3.48Å; A391-L396 HydrophobicContact CB-CG 3.88Å; A391-Y404 HydrophobicContact CB-CD1 4.06Å; A391-Y404 HydrophobicContact CB-CD2 4.4Å; A391-Y404 HydrophobicContact CB-CE1 3.75Å; A391-Y404 HydrophobicContact CB-CE2 4.09Å; A391-Y404 HydrophobicContact CB-CG 4.39Å; A391-Y404 PolarHBondContact N-OH 3.13Å
392	S	93.2	Very high	95	Very high	30 Å²	30	46.9 Å²	46.9	21%	0.21	24%	0.235	C	C	.	.			trans	-98.5	161.6	169.9	85.2	0	0	0	0	111.7	Q394 E395 L396	S392-Q394 PolarHBondContact O-N 3.47Å; S392-Q394 PolarHBondContact OG-N 3.03Å; S392-Q394 PolarHBondContact OG-OE1 3.46Å; S392-E395 PolarHBondContact O-N 2.8Å; S392-E395 VanDerWaalsContact O-N 3.14Å; S392-E395 PolarHBondContact OG-N 3.38Å; S392-L396 PolarHBondContact O-N 3.47Å
393	S	92.1	Very high	95.2	Very high	57 Å²	57	46.6 Å²	46.6	40%	0.399	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-29	175.3	62.1	0	0	0	0	112.8	E395 G397 Y401	S393-E395 VanDerWaalsContact C-N 3.34Å; S393-G397 PolarHBondContact O-N 3.27Å; S393-G397 VanDerWaalsContact O-N 3.08Å; S393-Y401 VanDerWaalsContact N-CE2 3.34Å
394	Q	91.4	Very high	95.2	Very high	166 Å²	166	45.7 Å²	45.7	78%	0.776	23%	0.228	S	C	*	.	H	α-helix	trans	-68.9	-33.2	175.3	-59.9	97.7	3.7	0	0	112.4	S392	S392-Q394 PolarHBondContact O-N 3.47Å; S392-Q394 PolarHBondContact OG-N 3.03Å; S392-Q394 PolarHBondContact OG-OE1 3.46Å
395	E	93.3	Very high	95.2	Very high	95 Å²	95	47.9 Å²	47.9	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-75.5	-41.1	-178.3	-166.4	-179.1	178.4	0	0	112	Y328 R389 S392 S393	Y328-E395 VanDerWaalsContact OH-CG 3.24Å; Y328-E395 WeakPolarHBondContact OH-CG 3.37Å; Y328-E395 PolarHBondContact OH-OE1 2.8Å; R389-E395 IonicContact CZ-OE1 3.8Å; R389-E395 IonicContact NH1-OE1 3Å; R389-E395 PolarHBondContact NH1-OE1 2.72Å; R389-E395 IonicContact NH2-OE1 3.5Å; S392-E395 PolarHBondContact O-N 2.8Å; S392-E395 VanDerWaalsContact O-N 3.14Å; S392-E395 PolarHBondContact OG-N 3.38Å; S393-E395 VanDerWaalsContact C-N 3.34Å
396	L	92.5	Very high	95.2	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-92.4	-23.2	-173.2	-68.4	-178.3	0	0	0	114.5	L323 Y328 A391 S392 A400 Y401 Y404	L323-L396 HydrophobicContact CD2-CD1 3.75Å; L323-L396 HydrophobicContact CD2-CD2 3.57Å; L323-L396 HydrophobicContact CD2-CG 4.28Å; Y328-L396 HydrophobicContact CD1-CD2 4.45Å; Y328-L396 HydrophobicContact CD2-CD2 3.65Å; Y328-L396 HydrophobicContact CE1-CD2 4.16Å; Y328-L396 HydrophobicContact CE2-CD2 3.31Å; Y328-L396 HydrophobicContact CG-CD2 4.2Å; A391-L396 HydrophobicContact CB-CD1 3.48Å; A391-L396 VanDerWaalsContact CB-CD1 3.48Å; A391-L396 HydrophobicContact CB-CG 3.88Å; S392-L396 PolarHBondContact O-N 3.47Å; L396-A400 HydrophobicContact CB-CB 4.13Å; L396-A400 WeakPolarHBondContact O-CB 3.41Å; L396-Y401 HydrophobicContact CD1-CD2 4.3Å; L396-Y404 HydrophobicContact CD1-CD1 3.95Å; L396-Y404 HydrophobicContact CD1-CD2 4.21Å; L396-Y404 HydrophobicContact CD1-CG 3.63Å
397	G	93	Very high	95.2	Very high	36 Å²	36	48.2 Å²	48.2	37%	0.371	24%	0.24	S	C	.	.			trans	70.7	173.4	-166.9	0	0	0	0	0	112.6	S393 Y401	S393-G397 PolarHBondContact O-N 3.27Å; S393-G397 VanDerWaalsContact O-N 3.08Å; G397-Y401 WeakPolarHBondContact O-CB 3.33Å; G397-Y401 PolarHBondContact O-N 3.3Å
398	H	93.7	Very high	95.3	Very high	145 Å²	145	48.2 Å²	48.2	67%	0.671	24%	0.24	S	C	*	.	H	α-helix	trans	-61.5	-59.5	-162.2	-176.4	-109.4	0	0	0	115.1	A400 Y401 R402	H398-A400 PolarHBondContact O-N 3.2Å; H398-Y401 PolarHBondContact O-N 3.24Å; H398-R402 WeakPolarHBondContact O-CG 3.37Å; H398-R402 PolarHBondContact O-N 2.95Å; H398-R402 VanDerWaalsContact O-N 3.09Å
399	E	92.1	Very high	95.4	Very high	108 Å²	108	48.1 Å²	48.1	51%	0.505	24%	0.239	S	C	.	.	H	α-helix	trans	-67.4	-39.8	-175	-68.8	-165.4	128.3	0	0	113	I319 R402 L403	I319-E399 HydrophobicContact CD1-CB 4.01Å; E399-R402 PolarHBondContact O-N 3.46Å; E399-L403 PolarHBondContact O-N 3.26Å
400	A	96.8	Very high	95.7	Very high	18 Å²	18	44.3 Å²	44.3	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-37.7	178.7	0	0	0	0	0	112	I319 L323 L396 H398 L403 Y404	I319-A400 HydrophobicContact CG2-CB 3.93Å; L323-A400 HydrophobicContact CD2-CB 4.34Å; L396-A400 HydrophobicContact CB-CB 4.13Å; L396-A400 WeakPolarHBondContact O-CB 3.41Å; H398-A400 PolarHBondContact O-N 3.2Å; A400-L403 PolarHBondContact O-N 3.2Å; A400-Y404 WeakPolarHBondContact O-CB 3.2Å; A400-Y404 PolarHBondContact O-N 3.45Å
401	Y	97.7	Very high	95.9	Very high	27 Å²	27	41.1 Å²	41.1	11%	0.106	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-41.7	174.1	-173.8	-100.6	0	0	0	111.8	S393 L396 G397 H398 L403 Y404 E405	S393-Y401 VanDerWaalsContact N-CE2 3.34Å; L396-Y401 HydrophobicContact CD1-CD2 4.3Å; G397-Y401 WeakPolarHBondContact O-CB 3.33Å; G397-Y401 PolarHBondContact O-N 3.3Å; H398-Y401 PolarHBondContact O-N 3.24Å; Y401-L403 VanDerWaalsContact C-N 3.32Å; Y401-L403 PolarHBondContact O-N 3Å; Y401-Y404 HydrophobicContact CD2-CD1 4.38Å; Y401-Y404 HydrophobicContact CE2-CD1 4.39Å; Y401-Y404 PolarHBondContact O-N 3.35Å; Y401-E405 HydrophobicContact CD1-CB 4.48Å; Y401-E405 HydrophobicContact CE1-CB 4.23Å; Y401-E405 WeakPolarHBondContact CE1-OE2 3.31Å; Y401-E405 WeakPolarHBondContact O-CB 3.26Å; Y401-E405 PolarHBondContact O-N 3.08Å
402	R	97.7	Very high	96.1	Very high	72 Å²	72	41.1 Å²	41.1	27%	0.272	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-41.4	178.2	-72.1	175	71.6	-144.9	2.9	112.8	L309 H398 E399 Y406	L309-R402 VanDerWaalsContact O-CZ 3.24Å; L309-R402 PolarHBondContact O-NH1 3.45Å; L309-R402 PolarHBondContact O-NH2 2.88Å; H398-R402 WeakPolarHBondContact O-CG 3.37Å; H398-R402 PolarHBondContact O-N 2.95Å; H398-R402 VanDerWaalsContact O-N 3.09Å; E399-R402 PolarHBondContact O-N 3.46Å; R402-Y406 PolarHBondContact O-N 3.34Å
403	L	98.4	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.8	-43.4	176.5	-173.5	61.3	0	0	0	111.8	M301 A305 L309 A316 I319 A320 E399 A400 Y401 E405 Y406 I407	M301-L403 HydrophobicContact CG-CD1 4.11Å; A305-L403 HydrophobicContact CB-CD1 4.29Å; L309-L403 HydrophobicContact CD1-CD1 4.16Å; A316-L403 WeakPolarHBondContact O-CD2 3.27Å; I319-L403 HydrophobicContact CB-CD2 3.98Å; I319-L403 HydrophobicContact CG2-CB 4.1Å; I319-L403 HydrophobicContact CG2-CD2 3.71Å; A320-L403 HydrophobicContact CB-CD2 4.05Å; E399-L403 PolarHBondContact O-N 3.26Å; A400-L403 PolarHBondContact O-N 3.2Å; Y401-L403 VanDerWaalsContact C-N 3.32Å; Y401-L403 PolarHBondContact O-N 3Å; L403-E405 VanDerWaalsContact C-N 3.34Å; L403-E405 PolarHBondContact O-N 3.37Å; L403-Y406 HydrophobicContact CD1-CD1 4.47Å; L403-Y406 PolarHBondContact O-N 3.4Å; L403-I407 HydrophobicContact CD1-CD1 4.5Å; L403-I407 HydrophobicContact CG-CD1 4.04Å; L403-I407 VanDerWaalsContact O-CG1 3.32Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 2.99Å
404	Y	98.5	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-42.3	175.7	171	-92	0	0	0	112.3	I329 Q352 P387 R389 F390 A391 L396 A400 Y401 I407 T408	I329-Y404 HydrophobicContact CG2-CD2 4.25Å; Q352-Y404 PolarHBondContact NE2-OH 2.99Å; Q352-Y404 PolarHBondContact OE1-OH 3.09Å; Q352-Y404 VanDerWaalsContact OE1-OH 3.08Å; P387-Y404 HydrophobicContact CB-CE2 4.13Å; R389-Y404 PolarHBondContact O-OH 3.07Å; F390-Y404 WeakPolarHBondContact CA-OH 3.37Å; A391-Y404 HydrophobicContact CB-CD1 4.06Å; A391-Y404 HydrophobicContact CB-CD2 4.4Å; A391-Y404 HydrophobicContact CB-CE1 3.75Å; A391-Y404 HydrophobicContact CB-CE2 4.09Å; A391-Y404 HydrophobicContact CB-CG 4.39Å; A391-Y404 PolarHBondContact N-OH 3.13Å; L396-Y404 HydrophobicContact CD1-CD1 3.95Å; L396-Y404 HydrophobicContact CD1-CD2 4.21Å; L396-Y404 HydrophobicContact CD1-CG 3.63Å; A400-Y404 WeakPolarHBondContact O-CB 3.2Å; A400-Y404 PolarHBondContact O-N 3.45Å; Y401-Y404 HydrophobicContact CD2-CD1 4.38Å; Y401-Y404 HydrophobicContact CE2-CD1 4.39Å; Y401-Y404 PolarHBondContact O-N 3.35Å; Y404-I407 PolarHBondContact O-N 3.4Å; Y404-T408 WeakPolarHBondContact CE1-OG1 3.26Å; Y404-T408 VanDerWaalsContact CZ-OG1 3.31Å; Y404-T408 WeakPolarHBondContact O-CB 3.44Å; Y404-T408 PolarHBondContact O-N 3.27Å; Y404-T408 PolarHBondContact O-OG1 2.9Å
405	E	97.8	Very high	96.9	Very high	46 Å²	46	29.1 Å²	29.1	22%	0.215	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-50.4	175.9	167.9	166.9	-155.1	0	0	110.5	L357 W358 Y401 L403 I407 T408 Q409	L357-E405 WeakPolarHBondContact CD1-OE1 3.34Å; W358-E405 HydrophobicContact CH2-CB 4.1Å; W358-E405 HydrophobicContact CH2-CG 3.86Å; W358-E405 HydrophobicContact CZ3-CB 4.46Å; W358-E405 HydrophobicContact CZ3-CG 3.72Å; Y401-E405 HydrophobicContact CD1-CB 4.48Å; Y401-E405 HydrophobicContact CE1-CB 4.23Å; Y401-E405 WeakPolarHBondContact CE1-OE2 3.31Å; Y401-E405 WeakPolarHBondContact O-CB 3.26Å; Y401-E405 PolarHBondContact O-N 3.08Å; L403-E405 VanDerWaalsContact C-N 3.34Å; L403-E405 PolarHBondContact O-N 3.37Å; E405-I407 PolarHBondContact O-N 3.03Å; E405-T408 PolarHBondContact O-N 3.37Å; E405-Q409 HydrophobicContact CG-CG 4.41Å; E405-Q409 WeakPolarHBondContact O-CB 3.36Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.47Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-Q409 PolarHBondContact OE1-NE2 2.79Å
406	Y	98.3	Very high	97.1	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-47.9	175.4	167	-109.8	0	0	0	112.3	L296 V304 R402 L403 T408 Q409 H410 W454	L296-Y406 HydrophobicContact CD1-CE1 4.08Å; L296-Y406 WeakPolarHBondContact CD1-OH 3.47Å; L296-Y406 HydrophobicContact CD2-CE1 3.98Å; V304-Y406 HydrophobicContact CB-CE1 3.89Å; V304-Y406 HydrophobicContact CB-CE2 4.11Å; V304-Y406 HydrophobicContact CG1-CD1 4.28Å; V304-Y406 HydrophobicContact CG1-CD2 3.82Å; V304-Y406 HydrophobicContact CG1-CE1 3.96Å; V304-Y406 HydrophobicContact CG1-CE2 3.51Å; V304-Y406 HydrophobicContact CG1-CG 4.21Å; V304-Y406 HydrophobicContact CG2-CE1 4.5Å; V304-Y406 HydrophobicContact CG2-CE2 4.3Å; V304-Y406 WeakPolarHBondContact CG2-OH 3.22Å; R402-Y406 PolarHBondContact O-N 3.34Å; L403-Y406 HydrophobicContact CD1-CD1 4.47Å; L403-Y406 PolarHBondContact O-N 3.4Å; Y406-T408 PolarHBondContact O-N 3.08Å; Y406-Q409 PolarHBondContact O-N 3.27Å; Y406-H410 HydrophobicContact CE2-CB 4.04Å; Y406-H410 AromaticContact CE2-ND1 3.91Å; Y406-H410 AromaticContact CZ-ND1 3.73Å; Y406-H410 VanDerWaalsContact O-CB 3.26Å; Y406-H410 WeakPolarHBondContact O-CB 3.15Å; Y406-H410 PolarHBondContact O-N 3.26Å; Y406-H410 PolarHBondContact OH-ND1 3.23Å; Y406-H410 VanDerWaalsContact OH-ND1 3.09Å; Y406-W454 HydrophobicContact CD2-CH2 4.33Å; Y406-W454 HydrophobicContact CD2-CZ2 4.04Å; Y406-W454 HydrophobicContact CE2-CZ2 4.27Å
407	I	98.7	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.3	-42.1	178.3	-69.1	166.9	0	0	0	110.5	L296 M301 I329 I385 L403 Y404 E405 F411	L296-I407 HydrophobicContact CD2-CB 4.42Å; L296-I407 HydrophobicContact CD2-CG1 3.88Å; L296-I407 HydrophobicContact CD2-CG2 4.49Å; M301-I407 HydrophobicContact SD-CD1 4.2Å; I329-I407 HydrophobicContact CD1-CD1 3.9Å; I329-I407 HydrophobicContact CG2-CD1 4.08Å; I329-I407 HydrophobicContact CG2-CG2 4Å; I385-I407 HydrophobicContact CG2-CD1 4.09Å; I385-I407 HydrophobicContact CG2-CG1 4.34Å; I385-I407 HydrophobicContact CG2-CG2 4.03Å; L403-I407 HydrophobicContact CD1-CD1 4.5Å; L403-I407 HydrophobicContact CG-CD1 4.04Å; L403-I407 VanDerWaalsContact O-CG1 3.32Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 2.99Å; Y404-I407 PolarHBondContact O-N 3.4Å; E405-I407 PolarHBondContact O-N 3.03Å; I407-F411 WeakPolarHBondContact O-CB 3.24Å; I407-F411 PolarHBondContact O-N 3.11Å
408	T	98.5	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.6	-46.5	179.8	-55.5	0	0	0	0	111.9	Q352 W358 P387 Y404 E405 Y406 H410 F411 I412	Q352-T408 HydrophobicContact CG-CG2 4.01Å; W358-T408 HydrophobicContact CZ2-CG2 3.56Å; P387-T408 HydrophobicContact CG-CG2 4.19Å; Y404-T408 WeakPolarHBondContact CE1-OG1 3.26Å; Y404-T408 VanDerWaalsContact CZ-OG1 3.31Å; Y404-T408 WeakPolarHBondContact O-CB 3.44Å; Y404-T408 PolarHBondContact O-N 3.27Å; Y404-T408 PolarHBondContact O-OG1 2.9Å; E405-T408 PolarHBondContact O-N 3.37Å; Y406-T408 PolarHBondContact O-N 3.08Å; T408-H410 VanDerWaalsContact C-N 3.34Å; T408-H410 PolarHBondContact O-N 3.18Å; T408-F411 PolarHBondContact O-N 3.09Å; T408-I412 HydrophobicContact CG2-CD1 4.03Å; T408-I412 WeakPolarHBondContact O-CG1 3.15Å; T408-I412 PolarHBondContact O-N 3.08Å
409	Q	98.2	Very high	97.9	Very high	22 Å²	22	18.8 Å²	18.8	10%	0.103	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-40.8	177.7	-71.2	176.8	-12.9	0	0	111.6	W358 E405 Y406 I412 A413 I451 L452 W454	W358-Q409 HydrophobicContact CE3-CG 3.89Å; W358-Q409 HydrophobicContact CZ3-CG 3.96Å; E405-Q409 HydrophobicContact CG-CG 4.41Å; E405-Q409 WeakPolarHBondContact O-CB 3.36Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.47Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-Q409 PolarHBondContact OE1-NE2 2.79Å; Y406-Q409 PolarHBondContact O-N 3.27Å; Q409-I412 PolarHBondContact O-N 3.17Å; Q409-A413 WeakPolarHBondContact O-CB 3.43Å; Q409-A413 PolarHBondContact O-N 3.37Å; Q409-I451 HydrophobicContact CB-CD1 4.06Å; Q409-I451 HydrophobicContact CB-CG1 4.01Å; Q409-I451 HydrophobicContact CG-CD1 3.93Å; Q409-I451 HydrophobicContact CG-CG1 3.83Å; Q409-L452 HydrophobicContact CB-CD2 3.85Å; Q409-W454 VanDerWaalsContact OE1-CH2 3.3Å
410	H	98.6	Very high	98.1	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-47	175.7	-169.2	105.2	0	0	0	110.8	P293 Q294 Y406 T408 I412 A413 T414	P293-H410 VanDerWaalsContact CB-CE1 3.49Å; P293-H410 WeakPolarHBondContact CB-CE1 3.26Å; Q294-H410 PolarHBondContact O-NE2 3.15Å; Y406-H410 HydrophobicContact CE2-CB 4.04Å; Y406-H410 AromaticContact CE2-ND1 3.91Å; Y406-H410 AromaticContact CZ-ND1 3.73Å; Y406-H410 VanDerWaalsContact O-CB 3.26Å; Y406-H410 WeakPolarHBondContact O-CB 3.15Å; Y406-H410 PolarHBondContact O-N 3.26Å; Y406-H410 PolarHBondContact OH-ND1 3.23Å; Y406-H410 VanDerWaalsContact OH-ND1 3.09Å; T408-H410 VanDerWaalsContact C-N 3.34Å; T408-H410 PolarHBondContact O-N 3.18Å; H410-I412 PolarHBondContact O-N 3.46Å; H410-A413 WeakPolarHBondContact O-CB 3.14Å; H410-A413 PolarHBondContact O-N 2.86Å; H410-T414 WeakPolarHBondContact O-CG2 3.49Å; H410-T414 PolarHBondContact O-N 2.96Å; H410-T414 VanDerWaalsContact O-N 3.08Å
411	F	98.6	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-54.9	-52.5	174.3	164.7	-102.1	0	0	0	111.9	Y339 L345 L348 L349 A386 P387 I407 T408 A413 T414 I415	Y339-F411 HydrophobicContact CE1-CD2 4.41Å; L345-F411 HydrophobicContact CD2-CE2 3.71Å; L345-F411 HydrophobicContact CD2-CZ 4.37Å; L348-F411 HydrophobicContact CB-CE1 4.06Å; L348-F411 HydrophobicContact CB-CE2 4.39Å; L348-F411 HydrophobicContact CB-CZ 3.67Å; L348-F411 HydrophobicContact CD1-CE2 4.21Å; L348-F411 HydrophobicContact CD1-CZ 4.31Å; L349-F411 HydrophobicContact CB-CE1 4.43Å; A386-F411 HydrophobicContact CB-CD2 3.98Å; P387-F411 VanDerWaalsContact CD-CB 3.47Å; P387-F411 HydrophobicContact CG-CB 4.14Å; P387-F411 HydrophobicContact CG-CD1 3.77Å; P387-F411 HydrophobicContact CG-CE1 4.48Å; P387-F411 HydrophobicContact CG-CG 4.02Å; I407-F411 WeakPolarHBondContact O-CB 3.24Å; I407-F411 PolarHBondContact O-N 3.11Å; T408-F411 PolarHBondContact O-N 3.09Å; F411-A413 VanDerWaalsContact C-N 3.27Å; F411-A413 PolarHBondContact O-N 2.78Å; F411-T414 WeakPolarHBondContact O-CB 3.3Å; F411-T414 PolarHBondContact O-N 3.19Å; F411-T414 PolarHBondContact O-OG1 3.35Å; F411-I415 HydrophobicContact CE1-CD1 4.13Å; F411-I415 HydrophobicContact CZ-CD1 4.08Å
412	I	98.5	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-41.9	179.2	-65.3	166.6	0	0	0	110.2	L349 W358 I365 T408 Q409 H410 T414 I415 M416 I451	L349-I412 HydrophobicContact CD1-CD1 4.5Å; L349-I412 HydrophobicContact CD1-CG1 3.98Å; W358-I412 HydrophobicContact CB-CD1 4.28Å; W358-I412 VanDerWaalsContact CD1-CD1 3.42Å; W358-I412 HydrophobicContact CG-CD1 3.83Å; I365-I412 HydrophobicContact CD1-CG2 3.8Å; T408-I412 HydrophobicContact CG2-CD1 4.03Å; T408-I412 WeakPolarHBondContact O-CG1 3.15Å; T408-I412 PolarHBondContact O-N 3.08Å; Q409-I412 PolarHBondContact O-N 3.17Å; H410-I412 PolarHBondContact O-N 3.46Å; I412-T414 VanDerWaalsContact C-N 3.26Å; I412-T414 PolarHBondContact O-N 2.92Å; I412-I415 WeakPolarHBondContact O-CG1 3.45Å; I412-I415 PolarHBondContact O-N 3.39Å; I412-I415 VanDerWaalsContact O-N 3.12Å; I412-M416 HydrophobicContact CG2-CG 4.29Å; I412-M416 HydrophobicContact CG2-SD 3.96Å; I412-M416 WeakPolarHBondContact O-CG 3.38Å; I412-M416 PolarHBondContact O-N 2.63Å; I412-I451 HydrophobicContact CB-CD1 3.71Å; I412-I451 HydrophobicContact CD1-CD1 3.72Å; I412-I451 HydrophobicContact CG1-CD1 4.31Å; I412-I451 HydrophobicContact CG2-CD1 3.67Å
413	A	98.5	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.1	-33.3	176.4	0	0	0	0	0	113.5	P293 Q409 H410 F411 I415 M416 F448 I451 L452	P293-A413 HydrophobicContact CG-CB 3.87Å; Q409-A413 WeakPolarHBondContact O-CB 3.43Å; Q409-A413 PolarHBondContact O-N 3.37Å; H410-A413 WeakPolarHBondContact O-CB 3.14Å; H410-A413 PolarHBondContact O-N 2.86Å; F411-A413 VanDerWaalsContact C-N 3.27Å; F411-A413 PolarHBondContact O-N 2.78Å; A413-I415 PolarHBondContact O-N 3Å; A413-M416 PolarHBondContact O-N 2.75Å; A413-F448 HydrophobicContact CB-CB 4.02Å; A413-F448 HydrophobicContact CB-CD2 4.05Å; A413-F448 HydrophobicContact CB-CG 4.49Å; A413-I451 HydrophobicContact CB-CG2 3.86Å; A413-L452 HydrophobicContact CB-CD1 3.67Å; A413-L452 HydrophobicContact CB-CD2 4.42Å; A413-L452 HydrophobicContact CB-CG 3.77Å
414	T	98.4	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-23.8	178	65.8	0	0	0	0	113.8	R292 P293 Q294 Y339 P373 H410 F411 I412	R292-T414 WeakPolarHBondContact CD-O 3.49Å; R292-T414 PolarHBondContact NE-O 3.49Å; P293-T414 HydrophobicContact CG-CG2 4.15Å; Q294-T414 VanDerWaalsContact O-CG2 3.29Å; Q294-T414 WeakPolarHBondContact O-CG2 3.29Å; Y339-T414 HydrophobicContact CE2-CG2 4.28Å; Y339-T414 WeakPolarHBondContact CE2-OG1 3.4Å; Y339-T414 PolarHBondContact OH-OG1 2.99Å; Y339-T414 VanDerWaalsContact OH-OG1 3.06Å; P373-T414 WeakPolarHBondContact CA-O 3.4Å; H410-T414 WeakPolarHBondContact O-CG2 3.49Å; H410-T414 PolarHBondContact O-N 2.96Å; H410-T414 VanDerWaalsContact O-N 3.08Å; F411-T414 WeakPolarHBondContact O-CB 3.3Å; F411-T414 PolarHBondContact O-N 3.19Å; F411-T414 PolarHBondContact O-OG1 3.35Å; I412-T414 VanDerWaalsContact C-N 3.26Å; I412-T414 PolarHBondContact O-N 2.92Å
415	I	97.8	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	9.3	-178.3	59.1	174.4	0	0	0	113.3	L345 L349 L370 T371 F411 I412 A413	L345-I415 HydrophobicContact CD1-CG2 4.16Å; L349-I415 HydrophobicContact CB-CD1 4.16Å; L349-I415 HydrophobicContact CD1-CD1 4.19Å; L349-I415 HydrophobicContact CD2-CD1 3.86Å; L349-I415 HydrophobicContact CG-CD1 4.3Å; L370-I415 HydrophobicContact CD2-CB 4.4Å; L370-I415 HydrophobicContact CD2-CD1 3.81Å; L370-I415 HydrophobicContact CD2-CG2 4.47Å; L370-I415 HydrophobicContact CG-CB 4.49Å; L370-I415 HydrophobicContact CG-CD1 4.18Å; T371-I415 WeakPolarHBondContact CB-O 3.3Å; T371-I415 PolarHBondContact N-O 3.34Å; T371-I415 WeakPolarHBondContact O-CA 3.41Å; F411-I415 HydrophobicContact CE1-CD1 4.13Å; F411-I415 HydrophobicContact CZ-CD1 4.08Å; I412-I415 WeakPolarHBondContact O-CG1 3.45Å; I412-I415 PolarHBondContact O-N 3.39Å; I412-I415 VanDerWaalsContact O-N 3.12Å; A413-I415 PolarHBondContact O-N 3Å
416	M	98	Very high	97.9	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.02	9%	0.09	C	C	.	.	S	Bend	trans	-93.5	163.1	171	-73.2	179.5	76	0	0	111.4	R292 L361 I365 I412 A413 G447 F448 R450 I451	R292-M416 WeakPolarHBondContact CD-O 3.26Å; L361-M416 HydrophobicContact CD1-CE 3.92Å; L361-M416 HydrophobicContact CD2-CE 3.89Å; L361-M416 HydrophobicContact CD2-SD 3.92Å; L361-M416 HydrophobicContact CG-CE 4.33Å; I365-M416 HydrophobicContact CD1-CG 3.55Å; I365-M416 HydrophobicContact CD1-SD 4.12Å; I365-M416 HydrophobicContact CG1-CG 4.37Å; I412-M416 HydrophobicContact CG2-CG 4.29Å; I412-M416 HydrophobicContact CG2-SD 3.96Å; I412-M416 WeakPolarHBondContact O-CG 3.38Å; I412-M416 PolarHBondContact O-N 2.63Å; A413-M416 PolarHBondContact O-N 2.75Å; M416-G447 WeakPolarHBondContact CE-O 3.47Å; M416-F448 HydrophobicContact CB-CB 3.93Å; M416-R450 HydrophobicContact CE-CB 4.21Å; M416-I451 HydrophobicContact SD-CB 4.28Å; M416-I451 HydrophobicContact SD-CG2 3.68Å
417	P	97.6	Very high	97.9	Very high	44 Å²	44	18.7 Å²	18.7	29%	0.286	10%	0.095	S	C	.	.	P	Polyproline II helix	trans	-61.6	158.7	169.8	-22.6	33.9	0	0	0	112.8	G447 F448	P417-G447 CarbonylContact O-C 2.98Å; P417-G447 WeakPolarHBondContact O-CA 3.33Å; P417-F448 PolarHBondContact O-N 3.12Å
418	D	98.2	Very high	97.8	Very high	40 Å²	40	18.7 Å²	18.7	21%	0.214	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-65.8	158.4	169.7	-63.2	-34.9	0	0	0	111	I289 P291 R292 C420	I289-D418 HydrophobicContact CG2-CB 3.37Å; P291-D418 WeakPolarHBondContact CA-OD1 3.28Å; R292-D418 WeakPolarHBondContact CB-OD1 3.2Å; R292-D418 VanDerWaalsContact CG-OD1 3.26Å; R292-D418 WeakPolarHBondContact CG-OD1 3.41Å; R292-D418 IonicContact CZ-OD1 3.54Å; R292-D418 PolarHBondContact N-OD1 3.26Å; R292-D418 IonicContact NH1-OD1 2.77Å; R292-D418 PolarHBondContact NH1-OD1 3.4Å; R292-D418 IonicContact NH1-OD2 3.6Å; R292-D418 PolarHBondContact NH1-OD2 3.39Å; R292-D418 VanDerWaalsContact NH1-OD2 3.08Å; D418-C420 PolarHBondContact O-N 2.92Å
419	C	98.1	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119	171.7	170.2	0	0	0	0	109.3	I289 K290 E445 P446 F448 T449	I289-C419 CarbonylContact C-O 3.54Å; I289-C419 WeakPolarHBondContact CA-O 3.44Å; K290-C419 HydrophobicContact CB-CB 4.1Å; K290-C419 PolarHBondContact N-O 3.09Å; K290-C419 PolarHBondContact O-N 3.01Å; C419-E445 CarbonylContact C-O 3.54Å; C419-E445 WeakPolarHBondContact CA-O 3.35Å; C419-P446 VanDerWaalsContact CB-O 3.26Å; C419-P446 WeakPolarHBondContact CB-O 3.27Å; C419-F448 HydrophobicContact CB-CD1 4.39Å; C419-F448 HydrophobicContact CB-CE1 4.19Å; C419-T449 HydrophobicContact CB-CG2 3.86Å
420	C	98.1	Very high	97.7	Very high	21 Å²	21	19.1 Å²	19.1	14%	0.142	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.3	176.1	-64.6	0	0	0	0	110.3	D418 V444 E445	D418-C420 PolarHBondContact O-N 2.92Å; C420-V444 HydrophobicContact CB-CB 4.32Å; C420-V444 PolarHBondContact O-N 2.88Å; C420-E445 HydrophobicContact CB-CB 4.15Å; C420-E445 PolarHBondContact N-O 3.04Å; C420-E445 PolarHBondContact O-N 3Å
421	Y	97.2	Very high	97.4	Very high	39 Å²	39	20.7 Å²	20.7	15%	0.153	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.3	179	62.9	-85.3	0	0	0	111.2	K288 K290 Q423 L441 K442 V457	K288-Y421 HydrophobicContact CB-CD2 4.14Å; K288-Y421 HydrophobicContact CB-CE1 3.96Å; K288-Y421 HydrophobicContact CB-CE2 3.55Å; K288-Y421 VanDerWaalsContact CB-CZ 3.44Å; K288-Y421 HydrophobicContact CD-CE2 4.14Å; K288-Y421 HydrophobicContact CG-CE2 4.38Å; K288-Y421 PolarHBondContact N-O 3.06Å; K288-Y421 PolarHBondContact O-N 2.83Å; K288-Y421 VanDerWaalsContact O-O 3.09Å; K290-Y421 HydrophobicContact CB-CE1 4.04Å; Y421-Q423 HydrophobicContact CE2-CB 4.4Å; Y421-L441 HydrophobicContact CD2-CD2 3.75Å; Y421-L441 HydrophobicContact CE2-CD2 3.77Å; Y421-K442 CarbonylContact C-O 3.26Å; Y421-K442 VanDerWaalsContact CA-O 3.27Å; Y421-K442 WeakPolarHBondContact CA-O 3.5Å; Y421-K442 WeakPolarHBondContact CB-O 3.27Å; Y421-V457 HydrophobicContact CD1-CG2 4.39Å
422	E	96.9	Very high	96.9	Very high	59 Å²	59	26.6 Å²	26.6	28%	0.276	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.2	170.9	-72	173.4	154.4	0	0	108.7	V285 L441 K442 V444	V285-E422 HydrophobicContact CG1-CB 4.36Å; E422-L441 WeakPolarHBondContact O-CA 3.17Å; E422-K442 HydrophobicContact CB-CB 4.4Å; E422-K442 PolarHBondContact N-O 3.36Å; E422-K442 PolarHBondContact O-N 2.94Å; E422-K442 IonicContact OE2-NZ 3.23Å; E422-V444 HydrophobicContact CG-CG2 3.72Å
423	Q	96.9	Very high	96.5	Very high	39 Å²	39	28.7 Å²	28.7	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.9	167.5	-176.2	174.7	26	0	0	109.4	K286 K288 Y421 Q425 L441	K286-Q423 PolarHBondContact N-O 3.26Å; K286-Q423 PolarHBondContact O-N 2.92Å; K288-Q423 HydrophobicContact CD-CB 4.28Å; K288-Q423 VanDerWaalsContact CD-OE1 3.31Å; Y421-Q423 HydrophobicContact CE2-CB 4.4Å; Q423-Q425 HydrophobicContact CG-CG 4.49Å; Q423-L441 HydrophobicContact CB-CD2 3.82Å; Q423-L441 HydrophobicContact CG-CD2 3.8Å
424	T	96.7	Very high	96.4	Very high	17 Å²	17	29 Å²	29	10%	0.104	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.8	173.6	-58.3	0	0	0	0	109	V283 S284 V285 V426 S439 G440 L462 L467	V283-T424 HydrophobicContact CG1-CG2 4.44Å; S284-T424 WeakPolarHBondContact O-CA 3.28Å; V285-T424 HydrophobicContact CG2-CG2 4.1Å; T424-V426 HydrophobicContact CG2-CG2 4.02Å; T424-S439 WeakPolarHBondContact O-CA 3.28Å; T424-G440 PolarHBondContact N-O 3.39Å; T424-G440 PolarHBondContact O-N 2.86Å; T424-L462 HydrophobicContact CG2-CD1 3.87Å; T424-L467 HydrophobicContact CG2-CD2 3.68Å
425	Q	96.8	Very high	96.3	Very high	78 Å²	78	32.2 Å²	32.2	36%	0.364	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.9	168.1	-71.2	-167.9	-32.5	0	0	109.2	S284 Q423 T437	S284-Q425 PolarHBondContact N-O 3.22Å; S284-Q425 PolarHBondContact O-N 2.73Å; Q423-Q425 HydrophobicContact CG-CG 4.49Å; Q425-T437 HydrophobicContact CB-CG2 4.33Å; Q425-T437 HydrophobicContact CG-CG2 4.36Å
426	V	97.5	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114	175.2	-177.9	0	0	0	0	107.2	V280 Q282 V283 T424 V428 T437 I438 L462 L466	V280-V426 HydrophobicContact CB-CG1 4.34Å; V280-V426 HydrophobicContact CG1-CG1 3.66Å; V280-V426 HydrophobicContact CG2-CG1 3.86Å; Q282-V426 CarbonylContact O-C 3.55Å; Q282-V426 WeakPolarHBondContact O-CA 3.37Å; V283-V426 HydrophobicContact CG1-CG2 4.37Å; V283-V426 HydrophobicContact CG2-CG1 4.37Å; V283-V426 HydrophobicContact CG2-CG2 4.43Å; T424-V426 HydrophobicContact CG2-CG2 4.02Å; V426-V428 HydrophobicContact CG1-CG1 3.91Å; V426-T437 CarbonylContact O-C 3.56Å; V426-T437 WeakPolarHBondContact O-CA 3.29Å; V426-I438 HydrophobicContact CB-CB 4.34Å; V426-I438 PolarHBondContact N-O 3.09Å; V426-I438 PolarHBondContact O-N 2.9Å; V426-L462 HydrophobicContact CG2-CD1 3.69Å; V426-L466 WeakPolarHBondContact CG1-O 3.35Å; V426-L466 HydrophobicContact CG2-CB 4.39Å
427	I	97.9	Very high	96.3	Very high	24 Å²	24	32.8 Å²	32.8	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.7	172	-51.4	-58	0	0	0	107.7	V281 Q282 L435 F436 T437	V281-I427 PolarHBondContact N-O 3.16Å; Q282-I427 HydrophobicContact CB-CB 4.09Å; Q282-I427 HydrophobicContact CB-CG1 4.24Å; Q282-I427 PolarHBondContact N-O 2.87Å; Q282-I427 PolarHBondContact O-N 3.49Å; I427-L435 HydrophobicContact CG2-CB 4.13Å; I427-L435 HydrophobicContact CG2-CD1 4.27Å; I427-L435 HydrophobicContact CG2-CD2 4.04Å; I427-L435 HydrophobicContact CG2-CG 4.37Å; I427-F436 CarbonylContact C-O 3.6Å; I427-F436 WeakPolarHBondContact CA-O 3.14Å; I427-T437 HydrophobicContact CD1-CG2 4.12Å; I427-T437 WeakPolarHBondContact CD1-OG1 3.02Å
428	V	97.5	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.4	178.5	-56.5	0	0	0	0	110.4	M252 A278 E279 V280 V426 L435 F436 I438 F473	M252-V428 HydrophobicContact SD-CG2 3.66Å; A278-V428 HydrophobicContact CB-CB 4.47Å; E279-V428 CarbonylContact O-C 3.56Å; E279-V428 WeakPolarHBondContact O-CA 3.31Å; V280-V428 HydrophobicContact CG2-CG1 4.18Å; V426-V428 HydrophobicContact CG1-CG1 3.91Å; V428-L435 WeakPolarHBondContact O-CA 3.14Å; V428-F436 HydrophobicContact CG2-CB 3.81Å; V428-F436 PolarHBondContact N-O 2.77Å; V428-F436 PolarHBondContact O-N 3.46Å; V428-I438 HydrophobicContact CG1-CD1 4.1Å; V428-F473 HydrophobicContact CG1-CE1 3.94Å; V428-F473 HydrophobicContact CG1-CZ 4.03Å
429	S	97.4	Very high	96.1	Very high	31 Å²	31	31.6 Å²	31.6	22%	0.217	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.2	172.5	-179.7	0	0	0	0	109.1	A278 E279 V281 E434	A278-S429 WeakPolarHBondContact CA-O 3.28Å; E279-S429 PolarHBondContact N-O 2.93Å; E279-S429 PolarHBondContact O-N 2.8Å; V281-S429 VanDerWaalsContact CG2-CB 3.49Å; S429-E434 WeakPolarHBondContact CA-O 3.48Å
430	V	96.6	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131	173	-173.3	0	0	0	0	107.9	V240 M252 V272 A278 E434 F436 L475	V240-V430 HydrophobicContact CG1-CG2 4.34Å; M252-V430 HydrophobicContact SD-CG2 4.46Å; V272-V430 HydrophobicContact CB-CG1 4.02Å; V272-V430 HydrophobicContact CG1-CB 4.27Å; V272-V430 HydrophobicContact CG1-CG1 4.21Å; V272-V430 WeakPolarHBondContact CG1-O 3.4Å; A278-V430 HydrophobicContact CB-CG2 3.86Å; V430-E434 PolarHBondContact N-O 3.22Å; V430-E434 PolarHBondContact O-N 3.02Å; V430-F436 HydrophobicContact CB-CD2 4.08Å; V430-F436 HydrophobicContact CB-CE2 3.86Å; V430-F436 HydrophobicContact CG2-CD2 3.6Å; V430-F436 HydrophobicContact CG2-CE2 3.85Å; V430-F436 HydrophobicContact CG2-CG 4.5Å; V430-L475 HydrophobicContact CG1-CD1 4.02Å
431	G	92.6	Very high	95.8	Very high	38 Å²	38	33.2 Å²	33.2	39%	0.392	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-134.8	178	0	0	0	0	0	113.8	R271 S275 G433	R271-G431 WeakPolarHBondContact O-CA 3.5Å; S275-G431 WeakPolarHBondContact OG-CA 3.45Å; S275-G431 PolarHBondContact OG-N 3.06Å; G431-G433 PolarHBondContact O-N 2.87Å
432	D	87.7	Confident	95.7	Very high	124 Å²	124	36 Å²	36	66%	0.663	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	55	-178.1	-166	29.2	0	0	0	112.2	R271	R271-D432 HydrophobicContact CB-CB 4.2Å; R271-D432 PolarHBondContact O-N 2.8Å; R271-D432 VanDerWaalsContact O-N 3.09Å
433	G	89.9	Confident	95.7	Very high	44 Å²	44	35.1 Å²	35.1	45%	0.454	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	12.5	170.6	0	0	0	0	0	116.7	G431	G431-G433 PolarHBondContact O-N 2.87Å
434	E	96	Very high	95.7	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.1	175.6	-80.7	-63.3	126.7	0	0	111.2	W254 R256 F268 R271 V272 S429 V430 F436	W254-E434 PolarHBondContact NE1-OE2 2.84Å; R256-E434 IonicContact CZ-OE1 2.75Å; R256-E434 IonicContact CZ-OE2 3.2Å; R256-E434 IonicContact NE-OE1 3.44Å; R256-E434 PolarHBondContact NE-OE1 3.05Å; R256-E434 IonicContact NE-OE2 2.76Å; R256-E434 PolarHBondContact NE-OE2 2.9Å; R256-E434 IonicContact NH2-OE1 3.19Å; R256-E434 PolarHBondContact NH2-OE1 2.6Å; R256-E434 IonicContact NH2-OE2 3.45Å; F268-E434 HydrophobicContact CD1-CG 4.31Å; F268-E434 VanDerWaalsContact CD1-OE1 3.24Å; F268-E434 WeakPolarHBondContact CD1-OE1 3.49Å; F268-E434 WeakPolarHBondContact CE1-OE1 3.36Å; R271-E434 HydrophobicContact CB-CG 4.49Å; V272-E434 HydrophobicContact CG1-CB 3.6Å; V272-E434 HydrophobicContact CG1-CG 4.03Å; S429-E434 WeakPolarHBondContact CA-O 3.48Å; V430-E434 PolarHBondContact N-O 3.22Å; V430-E434 PolarHBondContact O-N 3.02Å; E434-F436 HydrophobicContact CB-CE2 4.15Å
435	L	97.6	Very high	95.6	Very high	69 Å²	69	40.5 Å²	40.5	36%	0.361	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.7	-169.6	-59.1	179.7	0	0	0	112.4	N255 V281 I427 V428	N255-L435 HydrophobicContact CB-CB 4.18Å; N255-L435 WeakPolarHBondContact CB-O 3.41Å; N255-L435 PolarHBondContact N-O 3.24Å; V281-L435 HydrophobicContact CG2-CD2 4.18Å; I427-L435 HydrophobicContact CG2-CB 4.13Å; I427-L435 HydrophobicContact CG2-CD1 4.27Å; I427-L435 HydrophobicContact CG2-CD2 4.04Å; I427-L435 HydrophobicContact CG2-CG 4.37Å; V428-L435 WeakPolarHBondContact O-CA 3.14Å
436	F	97.7	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.7	173.3	-58.7	-105.4	0	0	0	110.2	I238 V240 M252 S253 W254 N255 V272 I427 V428 V430 E434	I238-F436 HydrophobicContact CB-CE1 4.25Å; I238-F436 HydrophobicContact CB-CZ 4.24Å; I238-F436 HydrophobicContact CG2-CE1 4.16Å; I238-F436 HydrophobicContact CG2-CZ 3.92Å; V240-F436 HydrophobicContact CB-CD1 4.23Å; V240-F436 HydrophobicContact CB-CE1 4.03Å; V240-F436 HydrophobicContact CB-CZ 4.4Å; V240-F436 HydrophobicContact CG2-CD1 4.13Å; V240-F436 HydrophobicContact CG2-CE1 3.45Å; V240-F436 VanDerWaalsContact CG2-CE1 3.45Å; V240-F436 HydrophobicContact CG2-CE2 4.14Å; V240-F436 HydrophobicContact CG2-CZ 3.47Å; V240-F436 VanDerWaalsContact CG2-CZ 3.47Å; M252-F436 HydrophobicContact CB-CB 3.8Å; M252-F436 HydrophobicContact CB-CD1 4.17Å; M252-F436 HydrophobicContact CB-CG 4.3Å; M252-F436 HydrophobicContact SD-CB 4.23Å; S253-F436 CarbonylContact O-C 3.45Å; S253-F436 VanDerWaalsContact O-CA 3.27Å; S253-F436 WeakPolarHBondContact O-CA 3.37Å; W254-F436 VanDerWaalsContact CA-CD1 3.45Å; W254-F436 HydrophobicContact CB-CD1 3.83Å; W254-F436 HydrophobicContact CB-CE1 3.65Å; W254-F436 AromaticContact CD1-CE1 3.63Å; W254-F436 AromaticContact CD1-CZ 3.68Å; W254-F436 HydrophobicContact CG-CD1 4.3Å; W254-F436 AromaticContact CG-CE1 3.82Å; W254-F436 HydrophobicContact CG-CE1 3.82Å; W254-F436 HydrophobicContact CG-CZ 4.24Å; N255-F436 WeakPolarHBondContact OD1-CA 3.25Å; V272-F436 HydrophobicContact CG1-CE2 4.49Å; I427-F436 CarbonylContact C-O 3.6Å; I427-F436 WeakPolarHBondContact CA-O 3.14Å; V428-F436 HydrophobicContact CG2-CB 3.81Å; V428-F436 PolarHBondContact N-O 2.77Å; V428-F436 PolarHBondContact O-N 3.46Å; V430-F436 HydrophobicContact CB-CD2 4.08Å; V430-F436 HydrophobicContact CB-CE2 3.86Å; V430-F436 HydrophobicContact CG2-CD2 3.6Å; V430-F436 HydrophobicContact CG2-CE2 3.85Å; V430-F436 HydrophobicContact CG2-CG 4.5Å; E434-F436 HydrophobicContact CB-CE2 4.15Å
437	T	97.3	Very high	95.6	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.7	179.4	-59.4	0	0	0	0	110.5	S253 N255 Q425 V426 I427	S253-T437 PolarHBondContact N-O 2.75Å; S253-T437 PolarHBondContact O-N 3.12Å; N255-T437 PolarHBondContact OD1-N 3.32Å; N255-T437 VanDerWaalsContact OD1-N 3.16Å; N255-T437 PolarHBondContact OD1-OG1 2.86Å; Q425-T437 HydrophobicContact CB-CG2 4.33Å; Q425-T437 HydrophobicContact CG-CG2 4.36Å; V426-T437 CarbonylContact O-C 3.56Å; V426-T437 WeakPolarHBondContact O-CA 3.29Å; I427-T437 HydrophobicContact CD1-CG2 4.12Å; I427-T437 WeakPolarHBondContact CD1-OG1 3.02Å
438	I	96.5	Very high	95.6	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.6	164	-56	170.1	0	0	0	106.9	L250 M252 V426 V428 L462 L466 F473	L250-I438 HydrophobicContact CB-CD1 4.25Å; L250-I438 HydrophobicContact CD1-CD1 4.31Å; M252-I438 HydrophobicContact CB-CG1 4.49Å; M252-I438 HydrophobicContact CG-CD1 4.28Å; M252-I438 HydrophobicContact CG-CG1 4.01Å; V426-I438 HydrophobicContact CB-CB 4.34Å; V426-I438 PolarHBondContact N-O 3.09Å; V426-I438 PolarHBondContact O-N 2.9Å; V428-I438 HydrophobicContact CG1-CD1 4.1Å; I438-L462 HydrophobicContact CG2-CD1 4.09Å; I438-L462 HydrophobicContact CG2-CD2 3.73Å; I438-L466 HydrophobicContact CD1-CD1 4.28Å; I438-L466 HydrophobicContact CD1-CD2 4.38Å; I438-L466 HydrophobicContact CG2-CD1 4.49Å; I438-F473 HydrophobicContact CD1-CZ 3.95Å
439	S	94.8	Very high	95.6	Very high	53 Å²	53	38.6 Å²	38.6	37%	0.371	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.5	-179.5	-65.6	0	0	0	0	110.8	T424	T424-S439 WeakPolarHBondContact O-CA 3.28Å
440	G	94.6	Very high	95.6	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.2	169.5	0	0	0	0	0	111.7	T424 K460	T424-G440 PolarHBondContact N-O 3.39Å; T424-G440 PolarHBondContact O-N 2.86Å; G440-K460 CarbonylContact C-O 3.59Å; G440-K460 WeakPolarHBondContact CA-O 3.41Å
441	L	95.6	Very high	95.6	Very high	51 Å²	51	43.4 Å²	43.4	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.4	176.4	-63.9	173.9	0	0	0	107.7	Y421 E422 Q423 V457 D459 K460 S461	Y421-L441 HydrophobicContact CD2-CD2 3.75Å; Y421-L441 HydrophobicContact CE2-CD2 3.77Å; E422-L441 WeakPolarHBondContact O-CA 3.17Å; Q423-L441 HydrophobicContact CB-CD2 3.82Å; Q423-L441 HydrophobicContact CG-CD2 3.8Å; L441-V457 HydrophobicContact CB-CG1 4.27Å; L441-V457 HydrophobicContact CD1-CG1 3.77Å; L441-D459 CarbonylContact O-C 3.57Å; L441-K460 PolarHBondContact N-O 2.94Å; L441-K460 CarbonylContact O-C 3.58Å; L441-K460 PolarHBondContact O-N 3.26Å; L441-S461 PolarHBondContact O-N 2.83Å
442	K	95.2	Very high	95.8	Very high	97 Å²	97	41.7 Å²	41.7	42%	0.422	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127	175.1	179.9	-173.8	167.8	-155.9	0	109.1	Y421 E422 V444	Y421-K442 CarbonylContact C-O 3.26Å; Y421-K442 VanDerWaalsContact CA-O 3.27Å; Y421-K442 WeakPolarHBondContact CA-O 3.5Å; Y421-K442 WeakPolarHBondContact CB-O 3.27Å; E422-K442 HydrophobicContact CB-CB 4.4Å; E422-K442 PolarHBondContact N-O 3.36Å; E422-K442 PolarHBondContact O-N 2.94Å; E422-K442 IonicContact OE2-NZ 3.23Å; K442-V444 PolarHBondContact O-N 3.04Å
443	I	96.5	Very high	96.2	Very high	41 Å²	41	40.2 Å²	40.2	21%	0.21	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.7	179.3	-57.4	-65.7	0	0	0	109.1	P446 V457 D459	I443-P446 HydrophobicContact CG2-CB 4.18Å; I443-V457 HydrophobicContact CD1-CB 3.51Å; I443-V457 HydrophobicContact CD1-CG1 3.79Å; I443-V457 WeakPolarHBondContact CD1-O 3.44Å; I443-D459 HydrophobicContact CG1-CB 4.15Å; I443-D459 PolarHBondContact N-OD2 2.88Å
444	V	96.3	Very high	96.4	Very high	77 Å²	77	44.8 Å²	44.8	47%	0.467	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-51.4	172	-179.2	0	0	0	0	108.9	C420 E422 K442	C420-V444 HydrophobicContact CB-CB 4.32Å; C420-V444 PolarHBondContact O-N 2.88Å; E422-V444 HydrophobicContact CG-CG2 3.72Å; K442-V444 PolarHBondContact O-N 3.04Å
445	E	96	Very high	96.3	Very high	93 Å²	93	47.2 Å²	47.2	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.4	176.1	-172.3	174.7	-171.1	0	0	109.4	C419 C420 G447	C419-E445 CarbonylContact C-O 3.54Å; C419-E445 WeakPolarHBondContact CA-O 3.35Å; C420-E445 HydrophobicContact CB-CB 4.15Å; C420-E445 PolarHBondContact N-O 3.04Å; C420-E445 PolarHBondContact O-N 3Å; E445-G447 VanDerWaalsContact C-N 3.26Å; E445-G447 PolarHBondContact O-N 2.83Å
446	P	96.5	Very high	96.2	Very high	51 Å²	51	46.7 Å²	46.7	33%	0.331	24%	0.244	S	C	.	.			trans	-69.4	-23.6	-178.1	27.5	-35.1	0	0	0	112.8	C419 I443 F448 T449 R450	C419-P446 VanDerWaalsContact CB-O 3.26Å; C419-P446 WeakPolarHBondContact CB-O 3.27Å; I443-P446 HydrophobicContact CG2-CB 4.18Å; P446-F448 PolarHBondContact O-N 3.09Å; P446-T449 PolarHBondContact O-N 3.35Å; P446-T449 VanDerWaalsContact O-N 3.13Å; P446-T449 PolarHBondContact O-OG1 3.31Å; P446-R450 HydrophobicContact CB-CG 3.87Å; P446-R450 HydrophobicContact CG-CG 3.67Å
447	G	97.2	Very high	96	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	50.7	-136	178.7	0	0	0	0	0	112.8	M416 P417 E445 T449 R450	M416-G447 WeakPolarHBondContact CE-O 3.47Å; P417-G447 CarbonylContact O-C 2.98Å; P417-G447 WeakPolarHBondContact O-CA 3.33Å; E445-G447 VanDerWaalsContact C-N 3.26Å; E445-G447 PolarHBondContact O-N 2.83Å; G447-T449 PolarHBondContact O-N 3.02Å; G447-T449 VanDerWaalsContact O-N 3.07Å; G447-R450 WeakPolarHBondContact O-CG 3.46Å; G447-R450 PolarHBondContact O-N 3.42Å; G447-R450 VanDerWaalsContact O-N 3.17Å
448	F	98.1	Very high	95.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.9	-18.8	-178.9	85.9	-83.4	0	0	0	114.9	K290 P291 R292 A413 M416 P417 C419 P446 R450 I451 L452 Q455	K290-F448 HydrophobicContact CD-CZ 4.33Å; K290-F448 HydrophobicContact CG-CE1 4.18Å; K290-F448 HydrophobicContact CG-CZ 4.19Å; K290-F448 WeakPolarHBondContact O-CE1 3.33Å; P291-F448 WeakPolarHBondContact O-CE1 3.31Å; R292-F448 HydrophobicContact CB-CB 4.11Å; R292-F448 HydrophobicContact CB-CD1 3.81Å; R292-F448 HydrophobicContact CB-CE1 4.43Å; R292-F448 HydrophobicContact CB-CG 3.95Å; A413-F448 HydrophobicContact CB-CB 4.02Å; A413-F448 HydrophobicContact CB-CD2 4.05Å; A413-F448 HydrophobicContact CB-CG 4.49Å; M416-F448 HydrophobicContact CB-CB 3.93Å; P417-F448 PolarHBondContact O-N 3.12Å; C419-F448 HydrophobicContact CB-CD1 4.39Å; C419-F448 HydrophobicContact CB-CE1 4.19Å; P446-F448 PolarHBondContact O-N 3.09Å; F448-R450 PolarHBondContact O-N 3.36Å; F448-I451 WeakPolarHBondContact O-CG2 3.08Å; F448-I451 PolarHBondContact O-N 3.35Å; F448-L452 HydrophobicContact CD2-CB 4.26Å; F448-L452 HydrophobicContact CD2-CD1 3.89Å; F448-L452 HydrophobicContact CD2-CG 4.23Å; F448-L452 HydrophobicContact CE2-CB 4.36Å; F448-L452 HydrophobicContact CE2-CD1 4Å; F448-L452 PolarHBondContact O-N 3.23Å; F448-L452 VanDerWaalsContact O-N 3.16Å; F448-Q455 HydrophobicContact CE2-CB 4.27Å; F448-Q455 VanDerWaalsContact CE2-OE1 3.3Å
449	T	97.7	Very high	95.4	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.043	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-74.3	-7	179.9	70.8	0	0	0	0	112.9	C419 P446 G447 I451 L452 Q455	C419-T449 HydrophobicContact CB-CG2 3.86Å; P446-T449 PolarHBondContact O-N 3.35Å; P446-T449 VanDerWaalsContact O-N 3.13Å; P446-T449 PolarHBondContact O-OG1 3.31Å; G447-T449 PolarHBondContact O-N 3.02Å; G447-T449 VanDerWaalsContact O-N 3.07Å; T449-I451 PolarHBondContact O-N 3.14Å; T449-L452 CarbonylContact O-C 3.13Å; T449-Q455 HydrophobicContact CG2-CB 4.27Å; T449-Q455 VanDerWaalsContact CG2-O 3.27Å; T449-Q455 WeakPolarHBondContact CG2-O 3.41Å
450	R	96.9	Very high	95.2	Very high	120 Å²	120	62.1 Å²	62.1	45%	0.453	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62.8	-31.3	167.6	-69.4	174.8	62.8	-166.3	-1.1	112.4	E364 M416 P446 G447 F448	E364-R450 IonicContact OE1-CZ 2.81Å; E364-R450 IonicContact OE1-NH1 3.2Å; E364-R450 PolarHBondContact OE1-NH1 3.47Å; E364-R450 IonicContact OE1-NH2 3.29Å; E364-R450 IonicContact OE2-CZ 2.73Å; E364-R450 IonicContact OE2-NH1 2.92Å; E364-R450 PolarHBondContact OE2-NH1 3.05Å; E364-R450 IonicContact OE2-NH2 2.66Å; E364-R450 PolarHBondContact OE2-NH2 3.28Å; M416-R450 HydrophobicContact CE-CB 4.21Å; P446-R450 HydrophobicContact CB-CG 3.87Å; P446-R450 HydrophobicContact CG-CG 3.67Å; G447-R450 WeakPolarHBondContact O-CG 3.46Å; G447-R450 PolarHBondContact O-N 3.42Å; G447-R450 VanDerWaalsContact O-N 3.17Å; F448-R450 PolarHBondContact O-N 3.36Å
451	I	97.6	Very high	94.9	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.062	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-40.6	178.3	-161.2	172.6	0	0	0	112.2	W358 L361 Q409 I412 A413 M416 F448 T449 T453	W358-I451 HydrophobicContact CB-CD1 3.89Å; W358-I451 HydrophobicContact CG-CD1 4.36Å; L361-I451 HydrophobicContact CD2-CB 3.85Å; L361-I451 HydrophobicContact CD2-CD1 4.21Å; L361-I451 HydrophobicContact CD2-CG1 4.32Å; Q409-I451 HydrophobicContact CB-CD1 4.06Å; Q409-I451 HydrophobicContact CB-CG1 4.01Å; Q409-I451 HydrophobicContact CG-CD1 3.93Å; Q409-I451 HydrophobicContact CG-CG1 3.83Å; I412-I451 HydrophobicContact CB-CD1 3.71Å; I412-I451 HydrophobicContact CD1-CD1 3.72Å; I412-I451 HydrophobicContact CG1-CD1 4.31Å; I412-I451 HydrophobicContact CG2-CD1 3.67Å; A413-I451 HydrophobicContact CB-CG2 3.86Å; M416-I451 HydrophobicContact SD-CB 4.28Å; M416-I451 HydrophobicContact SD-CG2 3.68Å; F448-I451 WeakPolarHBondContact O-CG2 3.08Å; F448-I451 PolarHBondContact O-N 3.35Å; T449-I451 PolarHBondContact O-N 3.14Å; I451-T453 VanDerWaalsContact C-N 3.33Å; I451-T453 PolarHBondContact O-N 3.33Å
452	L	97	Very high	94.7	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.328	C	S	.	.	S	Bend	trans	-89.7	72.5	171.9	-55.8	-172.2	0	0	0	109.7	P293 Q409 A413 F448 T449 W454 Q455	P293-L452 HydrophobicContact CG-CD1 4.2Å; Q409-L452 HydrophobicContact CB-CD2 3.85Å; A413-L452 HydrophobicContact CB-CD1 3.67Å; A413-L452 HydrophobicContact CB-CD2 4.42Å; A413-L452 HydrophobicContact CB-CG 3.77Å; F448-L452 HydrophobicContact CD2-CB 4.26Å; F448-L452 HydrophobicContact CD2-CD1 3.89Å; F448-L452 HydrophobicContact CD2-CG 4.23Å; F448-L452 HydrophobicContact CE2-CB 4.36Å; F448-L452 HydrophobicContact CE2-CD1 4Å; F448-L452 PolarHBondContact O-N 3.23Å; F448-L452 VanDerWaalsContact O-N 3.16Å; T449-L452 CarbonylContact O-C 3.13Å; L452-W454 VanDerWaalsContact C-N 3.28Å; L452-W454 HydrophobicContact CB-CZ2 4.35Å; L452-W454 HydrophobicContact CD2-CH2 3.69Å; L452-W454 HydrophobicContact CD2-CZ2 3.61Å; L452-W454 HydrophobicContact CG-CZ2 4.46Å; L452-W454 PolarHBondContact O-N 2.73Å; L452-Q455 HydrophobicContact CB-CB 4.33Å; L452-Q455 HydrophobicContact CB-CG 4.3Å; L452-Q455 WeakPolarHBondContact O-CA 3.49Å; L452-Q455 WeakPolarHBondContact O-CB 3.27Å; L452-Q455 PolarHBondContact O-N 3.41Å
453	T	95.1	Very high	94.5	Very high	94 Å²	94	61.1 Å²	61.1	58%	0.577	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-63.2	-29.9	-170.1	55.8	0	0	0	0	113.8	I451 Q455 A456	I451-T453 VanDerWaalsContact C-N 3.33Å; I451-T453 PolarHBondContact O-N 3.33Å; T453-Q455 PolarHBondContact O-N 2.93Å; T453-A456 WeakPolarHBondContact O-CB 3.44Å; T453-A456 PolarHBondContact O-N 2.62Å
454	W	93.9	Very high	94.3	Very high	139 Å²	139	67.8 Å²	67.8	53%	0.527	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-68.9	-8.4	172.4	60.1	89.7	0	0	0	113.6	Y406 Q409 L452	Y406-W454 HydrophobicContact CD2-CH2 4.33Å; Y406-W454 HydrophobicContact CD2-CZ2 4.04Å; Y406-W454 HydrophobicContact CE2-CZ2 4.27Å; Q409-W454 VanDerWaalsContact OE1-CH2 3.3Å; L452-W454 VanDerWaalsContact C-N 3.28Å; L452-W454 HydrophobicContact CB-CZ2 4.35Å; L452-W454 HydrophobicContact CD2-CH2 3.69Å; L452-W454 HydrophobicContact CD2-CZ2 3.61Å; L452-W454 HydrophobicContact CG-CZ2 4.46Å; L452-W454 PolarHBondContact O-N 2.73Å
455	Q	95.3	Very high	94.1	Very high	57 Å²	57	64.8 Å²	64.8	27%	0.266	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-103	4.7	170.3	-60.7	-158.3	20.4	0	0	113	K290 F448 T449 L452 T453	K290-Q455 PolarHBondContact NZ-O 2.98Å; F448-Q455 HydrophobicContact CE2-CB 4.27Å; F448-Q455 VanDerWaalsContact CE2-OE1 3.3Å; T449-Q455 HydrophobicContact CG2-CB 4.27Å; T449-Q455 VanDerWaalsContact CG2-O 3.27Å; T449-Q455 WeakPolarHBondContact CG2-O 3.41Å; L452-Q455 HydrophobicContact CB-CB 4.33Å; L452-Q455 HydrophobicContact CB-CG 4.3Å; L452-Q455 WeakPolarHBondContact O-CA 3.49Å; L452-Q455 WeakPolarHBondContact O-CB 3.27Å; L452-Q455 PolarHBondContact O-N 3.41Å; T453-Q455 PolarHBondContact O-N 2.93Å
456	A	94.9	Very high	94	Very high	59 Å²	59	60.3 Å²	60.3	49%	0.488	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-58.6	140.4	176.4	0	0	0	0	0	111.3	T453	T453-A456 WeakPolarHBondContact O-CB 3.44Å; T453-A456 PolarHBondContact O-N 2.62Å
457	V	92.5	Very high	93.8	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.176	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-86.1	128.4	170.8	175.6	0	0	0	0	107.1	K290 Y421 L441 I443 D459	K290-V457 HydrophobicContact CD-CG2 4.13Å; Y421-V457 HydrophobicContact CD1-CG2 4.39Å; L441-V457 HydrophobicContact CB-CG1 4.27Å; L441-V457 HydrophobicContact CD1-CG1 3.77Å; I443-V457 HydrophobicContact CD1-CB 3.51Å; I443-V457 HydrophobicContact CD1-CG1 3.79Å; I443-V457 WeakPolarHBondContact CD1-O 3.44Å; V457-D459 PolarHBondContact O-N 2.78Å
458	E	91.3	Very high	93.7	Very high	164 Å²	164	65.9 Å²	65.9	77%	0.766	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-72.2	123.7	178.9	-168.8	175.7	-173.9	0	0	109.9	K460	E458-K460 PolarHBondContact O-N 3.26Å
459	D	90.1	Very high	93.5	Very high	80 Å²	80	72.2 Å²	72.2	43%	0.428	36%	0.361	S	S	.	.			trans	-76.2	114.5	175.4	-161.3	-52.5	0	0	0	109.3	L441 I443 V457 S461	L441-D459 CarbonylContact O-C 3.57Å; I443-D459 HydrophobicContact CG1-CB 4.15Å; I443-D459 PolarHBondContact N-OD2 2.88Å; V457-D459 PolarHBondContact O-N 2.78Å; D459-S461 PolarHBondContact OD1-N 2.94Å; D459-S461 PolarHBondContact OD1-OG 2.68Å
460	K	90.6	Very high	93.3	Very high	126 Å²	126	73.8 Å²	73.8	55%	0.548	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-131.6	71.4	174.8	-167.8	175.7	-179	178.5	0	108.2	G440 L441 E458	G440-K460 CarbonylContact C-O 3.59Å; G440-K460 WeakPolarHBondContact CA-O 3.41Å; L441-K460 PolarHBondContact N-O 2.94Å; L441-K460 CarbonylContact O-C 3.58Å; L441-K460 PolarHBondContact O-N 3.26Å; E458-K460 PolarHBondContact O-N 3.26Å
461	S	88.6	Confident	93.2	Very high	68 Å²	68	71 Å²	71	48%	0.476	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63.5	136.4	175.5	-69.8	0	0	0	0	111.5	L441 D459	L441-S461 PolarHBondContact O-N 2.83Å; D459-S461 PolarHBondContact OD1-N 2.94Å; D459-S461 PolarHBondContact OD1-OG 2.68Å
462	L	91.6	Very high	93.1	Very high	31 Å²	31	75.4 Å²	75.4	16%	0.162	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-84.5	149.9	177	-59.9	-178.4	0	0	0	111.4	T424 V426 I438 L466	T424-L462 HydrophobicContact CG2-CD1 3.87Å; V426-L462 HydrophobicContact CG2-CD1 3.69Å; I438-L462 HydrophobicContact CG2-CD1 4.09Å; I438-L462 HydrophobicContact CG2-CD2 3.73Å; L462-L466 HydrophobicContact CB-CD1 4.48Å
463	P	91.7	Very high	93.1	Very high	30 Å²	30	75.8 Å²	75.8	20%	0.195	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-50.4	140.7	167.7	-26.9	32.5	0	0	0	112.4	D244 S465 L466	D244-P463 HydrophobicContact CB-CB 4.35Å; D244-P463 HydrophobicContact CB-CG 3.78Å; D244-P463 WeakPolarHBondContact OD2-CG 3.32Å; P463-S465 WeakPolarHBondContact CB-OG 3.33Å; P463-S465 PolarHBondContact O-N 3.11Å; P463-L466 HydrophobicContact CG-CD1 4.36Å; P463-L466 PolarHBondContact O-N 2.88Å
464	K	92.1	Very high	93.1	Very high	181 Å²	181	76.4 Å²	76.4	79%	0.787	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-62.2	-30.2	-179.2	-69.5	-176.9	179.6	178	0	112.6	L466 L467	K464-L466 VanDerWaalsContact C-N 3.3Å; K464-L466 PolarHBondContact O-N 3.33Å; K464-L467 WeakPolarHBondContact O-CB 3.49Å; K464-L467 PolarHBondContact O-N 2.81Å; K464-L467 VanDerWaalsContact O-N 3.09Å
465	S	92.2	Very high	93.2	Very high	14 Å²	14	70.9 Å²	70.9	10%	0.098	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-55.7	-42.5	177.1	48.2	0	0	0	0	112.1	D245 P463 L467 N468 Y471	D245-S465 PolarHBondContact OD1-OG 2.81Å; P463-S465 WeakPolarHBondContact CB-OG 3.33Å; P463-S465 PolarHBondContact O-N 3.11Å; S465-L467 PolarHBondContact O-N 3.01Å; S465-N468 PolarHBondContact O-N 2.88Å; S465-Y471 WeakPolarHBondContact O-CB 3.4Å; S465-Y471 WeakPolarHBondContact O-CD1 3.29Å
466	L	92.8	Very high	93.1	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-67.4	-12.2	177.8	-68	176.9	0	0	0	114.5	L250 V280 V426 I438 L462 P463 K464 N468 Y471 F473	L250-L466 HydrophobicContact CD1-CD1 3.82Å; L250-L466 HydrophobicContact CD1-CD2 3.95Å; L250-L466 HydrophobicContact CD1-CG 4.33Å; L250-L466 HydrophobicContact CD2-CD1 3.7Å; L250-L466 HydrophobicContact CG-CD1 4.41Å; V280-L466 HydrophobicContact CG2-CD2 4.16Å; V426-L466 WeakPolarHBondContact CG1-O 3.35Å; V426-L466 HydrophobicContact CG2-CB 4.39Å; I438-L466 HydrophobicContact CD1-CD1 4.28Å; I438-L466 HydrophobicContact CD1-CD2 4.38Å; I438-L466 HydrophobicContact CG2-CD1 4.49Å; L462-L466 HydrophobicContact CB-CD1 4.48Å; P463-L466 HydrophobicContact CG-CD1 4.36Å; P463-L466 PolarHBondContact O-N 2.88Å; K464-L466 VanDerWaalsContact C-N 3.3Å; K464-L466 PolarHBondContact O-N 3.33Å; L466-N468 VanDerWaalsContact C-N 3.28Å; L466-Y471 HydrophobicContact CD2-CD1 4.08Å; L466-Y471 HydrophobicContact CD2-CE1 4.14Å; L466-F473 HydrophobicContact CD2-CD1 3.86Å; L466-F473 HydrophobicContact CD2-CE1 3.67Å; L466-F473 HydrophobicContact CD2-CZ 4.23Å
467	L	93.4	Very high	93	Very high	72 Å²	72	73.9 Å²	73.9	38%	0.377	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-83.4	-7.9	177.6	-53.8	-178.7	0	0	0	112.6	V283 T424 K464 S465	V283-L467 HydrophobicContact CG1-CD2 4.04Å; T424-L467 HydrophobicContact CG2-CD2 3.68Å; K464-L467 WeakPolarHBondContact O-CB 3.49Å; K464-L467 PolarHBondContact O-N 2.81Å; K464-L467 VanDerWaalsContact O-N 3.09Å; S465-L467 PolarHBondContact O-N 3.01Å
468	N	93.8	Very high	93.1	Very high	100 Å²	100	77.2 Å²	77.2	54%	0.535	39%	0.391	S	S	.	.	S	Bend	trans	-93.5	118.5	177.7	-60	-43.8	0	0	0	109.9	V280 S465 L466 Y471	V280-N468 WeakPolarHBondContact CB-O 3.3Å; S465-N468 PolarHBondContact O-N 2.88Å; L466-N468 VanDerWaalsContact C-N 3.28Å; N468-Y471 WeakPolarHBondContact O-CB 3.45Å; N468-Y471 PolarHBondContact O-N 3.37Å; N468-Y471 VanDerWaalsContact O-N 3.14Å
469	Q	94.1	Very high	93.3	Very high	132 Å²	132	69.5 Å²	69.5	62%	0.617	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	140.2	169.7	-72.1	-178.4	1.8	0	0	110.3	V283 Y471	V283-Q469 HydrophobicContact CG2-CG 4.36Å; Q469-Y471 VanDerWaalsContact C-N 3.27Å; Q469-Y471 PolarHBondContact O-N 3.44Å
470	G	94.4	Very high	93.6	Very high	40 Å²	40	67.9 Å²	67.9	41%	0.412	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-4.1	-173.5	0	0	0	0	0	114.6	V280 Q472	V280-G470 PolarHBondContact O-N 3.17Å; G470-Q472 PolarHBondContact O-N 2.97Å
471	Y	95.1	Very high	93.9	Very high	61 Å²	61	64 Å²	64	24%	0.239	34%	0.335	C	S	.	.			trans	-63.5	127.8	174.2	177.1	-111.6	0	0	0	110.4	E279 V280 S465 L466 N468 Q469 F473	E279-Y471 WeakPolarHBondContact CA-O 3Å; V280-Y471 HydrophobicContact CG2-CD1 4.28Å; V280-Y471 PolarHBondContact N-O 3.37Å; S465-Y471 WeakPolarHBondContact O-CB 3.4Å; S465-Y471 WeakPolarHBondContact O-CD1 3.29Å; L466-Y471 HydrophobicContact CD2-CD1 4.08Å; L466-Y471 HydrophobicContact CD2-CE1 4.14Å; N468-Y471 WeakPolarHBondContact O-CB 3.45Å; N468-Y471 PolarHBondContact O-N 3.37Å; N468-Y471 VanDerWaalsContact O-N 3.14Å; Q469-Y471 VanDerWaalsContact C-N 3.27Å; Q469-Y471 PolarHBondContact O-N 3.44Å; Y471-F473 HydrophobicContact CD1-CD1 4.01Å; Y471-F473 HydrophobicContact CE1-CB 3.81Å; Y471-F473 AromaticContact CE1-CD1 3.96Å; Y471-F473 HydrophobicContact CE1-CD1 3.96Å; Y471-F473 HydrophobicContact CE1-CG 4.25Å
472	Q	95.2	Very high	94.2	Very high	106 Å²	106	64.7 Å²	64.7	50%	0.495	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141	177.1	-68.9	-172.4	-8.3	0	0	110.7	A278 E279 G470	A278-Q472 VanDerWaalsContact O-CA 3.29Å; A278-Q472 WeakPolarHBondContact O-CA 3.46Å; E279-Q472 HydrophobicContact CB-CG 3.94Å; E279-Q472 HydrophobicContact CG-CG 3.88Å; E279-Q472 PolarHBondContact OE2-NE2 3.11Å; G470-Q472 PolarHBondContact O-N 2.97Å
473	F	95.5	Very high	94.5	Very high	8 Å²	8	69 Å²	69	4%	0.035	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.1	177.9	60.9	-85.1	0	0	0	110.9	L250 M252 T277 A278 V280 V428 I438 L466 Y471	L250-F473 HydrophobicContact CD1-CD2 3.88Å; L250-F473 HydrophobicContact CD1-CE2 3.73Å; L250-F473 HydrophobicContact CD1-CG 4.46Å; L250-F473 HydrophobicContact CD1-CZ 4.23Å; M252-F473 HydrophobicContact CE-CD2 4.45Å; M252-F473 HydrophobicContact CE-CE2 3.23Å; M252-F473 HydrophobicContact CE-CZ 3.5Å; M252-F473 VanDerWaalsContact CE-CZ 3.5Å; T277-F473 CarbonylContact C-O 3.53Å; T277-F473 WeakPolarHBondContact CA-O 3.48Å; A278-F473 HydrophobicContact CB-CD2 4.49Å; A278-F473 HydrophobicContact CB-CE1 3.94Å; A278-F473 HydrophobicContact CB-CE2 3.91Å; A278-F473 HydrophobicContact CB-CZ 3.59Å; A278-F473 PolarHBondContact N-O 2.81Å; A278-F473 PolarHBondContact O-N 3.09Å; V280-F473 HydrophobicContact CG2-CE1 4.33Å; V428-F473 HydrophobicContact CG1-CE1 3.94Å; V428-F473 HydrophobicContact CG1-CZ 4.03Å; I438-F473 HydrophobicContact CD1-CZ 3.95Å; L466-F473 HydrophobicContact CD2-CD1 3.86Å; L466-F473 HydrophobicContact CD2-CE1 3.67Å; L466-F473 HydrophobicContact CD2-CZ 4.23Å; Y471-F473 HydrophobicContact CD1-CD1 4.01Å; Y471-F473 HydrophobicContact CE1-CB 3.81Å; Y471-F473 AromaticContact CE1-CD1 3.96Å; Y471-F473 HydrophobicContact CE1-CD1 3.96Å; Y471-F473 HydrophobicContact CE1-CG 4.25Å
474	N	95.5	Very high	94.8	Very high	107 Å²	107	68.5 Å²	68.5	57%	0.572	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.6	-173.2	-67.1	-34.5	0	0	0	111.6	G242 V243	G242-N474 WeakPolarHBondContact CA-O 3.4Å; V243-N474 PolarHBondContact N-O 3.32Å
475	L	96.3	Very high	95	Very high	23 Å²	23	65.9 Å²	65.9	12%	0.12	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-74.3	139.5	166.5	-58.8	-173.1	0	0	0	109.7	V240 M252 K276 A278 V430 P479	V240-L475 HydrophobicContact CG1-CD1 4.27Å; V240-L475 HydrophobicContact CG1-CD2 3.55Å; M252-L475 HydrophobicContact CE-CD2 4.01Å; K276-L475 PolarHBondContact O-N 3.46Å; A278-L475 HydrophobicContact CB-CD2 4Å; V430-L475 HydrophobicContact CG1-CD1 4.02Å; L475-P479 HydrophobicContact CD1-CG 3.79Å
476	L	94.1	Very high	95.1	Very high	93 Å²	93	66.5 Å²	66.5	49%	0.487	35%	0.346	S	S	.	.	S	Bend	trans	-71.4	-38.9	178.9	-176.3	69.4	0	0	0	111.4	S241 V243 V249	S241-L476 PolarHBondContact O-N 2.96Å; V243-L476 HydrophobicContact CG2-CB 4.03Å; V243-L476 HydrophobicContact CG2-CD1 3.4Å; V243-L476 HydrophobicContact CG2-CG 4.26Å; V249-L476 HydrophobicContact CG1-CD2 4.27Å; V249-L476 HydrophobicContact CG2-CD2 4.26Å
477	E	92.8	Very high	95.1	Very high	86 Å²	86	69.1 Å²	69.1	40%	0.402	37%	0.373	S	S	.	.	S	Bend	trans	-144.7	165.2	-177	58.2	-175.6	177.5	0	0	110.5	K239	K239-E477 IonicContact NZ-OE1 3.73Å; K239-E477 PolarHBondContact NZ-OE1 2.8Å
478	E	94.9	Very high	95	Very high	99 Å²	99	68.9 Å²	68.9	46%	0.463	38%	0.376	S	S	.	.			trans	-61.1	130.4	173.6	-173.6	171.6	110.4	0	0	109.9	K273 S480	K273-E478 WeakPolarHBondContact CE-OE1 3.31Å; K273-E478 HydrophobicContact CG-CG 4.02Å; K273-E478 WeakPolarHBondContact CG-OE1 3.48Å; K273-E478 IonicContact NZ-OE1 3.99Å; K273-E478 WeakPolarHBondContact O-CG 3.4Å; E478-S480 PolarHBondContact O-N 3.11Å
479	P	95.5	Very high	95.1	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.019	37%	0.367	C	S	.	.			trans	-51.1	134.9	173.9	-32.2	39.7	0	0	0	111.7	I238 V240 L269 V272 L475	I238-P479 HydrophobicContact CG2-CB 4.41Å; V240-P479 HydrophobicContact CG2-CB 4Å; V240-P479 HydrophobicContact CG2-CG 4.14Å; L269-P479 HydrophobicContact CD1-CB 4.43Å; L269-P479 WeakPolarHBondContact CD1-O 3.44Å; V272-P479 HydrophobicContact CB-CB 4.42Å; V272-P479 HydrophobicContact CB-CG 4.45Å; V272-P479 HydrophobicContact CG2-CB 3.8Å; V272-P479 HydrophobicContact CG2-CG 4.35Å; V272-P479 WeakPolarHBondContact O-CG 3.25Å; L475-P479 HydrophobicContact CD1-CG 3.79Å
480	S	95.4	Very high	95.2	Very high	45 Å²	45	64.1 Å²	64.1	32%	0.315	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.7	-175.6	58.3	0	0	0	0	111.8	I238 K239 E478	I238-S480 CarbonylContact C-O 3.59Å; I238-S480 WeakPolarHBondContact CA-O 3.48Å; K239-S480 PolarHBondContact N-O 2.85Å; K239-S480 PolarHBondContact O-N 3.26Å; E478-S480 PolarHBondContact O-N 3.11Å
481	L	96	Very high	95.4	Very high	45 Å²	45	63.7 Å²	63.7	24%	0.236	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.4	174	-160.8	73.8	0	0	0	109.2	W236 I238 A265 L269	W236-L481 HydrophobicContact CB-CD1 3.92Å; W236-L481 HydrophobicContact CB-CD2 3.94Å; W236-L481 HydrophobicContact CB-CG 3.87Å; W236-L481 HydrophobicContact CG-CD2 3.85Å; W236-L481 HydrophobicContact CG-CG 4.17Å; I238-L481 HydrophobicContact CG1-CD1 4.01Å; A265-L481 HydrophobicContact CB-CD1 3.89Å; A265-L481 HydrophobicContact CB-CD2 4.18Å; L269-L481 HydrophobicContact CD2-CB 4.14Å
482	I	96.6	Very high	95.6	Very high	82 Å²	82	61.3 Å²	61.3	42%	0.421	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.3	172	-50.3	-177.8	0	0	0	108.6	W236 R237 K239	W236-I482 CarbonylContact C-O 3.55Å; W236-I482 VanDerWaalsContact CA-O 3.28Å; W236-I482 WeakPolarHBondContact CA-O 3.2Å; R237-I482 PolarHBondContact N-O 3.02Å; R237-I482 PolarHBondContact O-N 3.02Å; K239-I482 HydrophobicContact CB-CD1 3.57Å; K239-I482 HydrophobicContact CB-CG1 3.73Å; K239-I482 HydrophobicContact CD-CD1 3.86Å; K239-I482 HydrophobicContact CD-CG1 4.46Å; K239-I482 HydrophobicContact CG-CD1 3.82Å; K239-I482 HydrophobicContact CG-CG1 4.46Å
483	E	97.8	Very high	95.7	Very high	122 Å²	122	57.8 Å²	57.8	57%	0.57	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.8	167.1	-172.8	170.8	130.5	0	0	110.4	T234 W236	T234-E483 HydrophobicContact CG2-CG 3.55Å; W236-E483 PolarHBondContact NE1-OE2 2.77Å
484	G	96.8	Very high	95.9	Very high	20 Å²	20	57.6 Å²	57.6	21%	0.206	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	167	172.7	0	0	0	0	0	110.8	T234 F235	T234-G484 WeakPolarHBondContact CA-O 3.46Å; F235-G484 PolarHBondContact N-O 3.49Å; F235-G484 PolarHBondContact O-N 2.71Å; F235-G484 VanDerWaalsContact O-O 3.08Å
485	Q	96.7	Very high	96	Very high	126 Å²	126	53.5 Å²	53.5	59%	0.589	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.1	177.3	-156.1	179.1	25.2	0	0	109.4	P232 F235	P232-Q485 HydrophobicContact CB-CG 3.71Å; F235-Q485 VanDerWaalsContact CE1-C 3.43Å
486	T	95.6	Very high	96	Very high	26 Å²	26	55.6 Å²	55.6	16%	0.16	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.7	175.5	59.2	0	0	0	0	110	F230 E233 F235 F260	F230-T486 WeakPolarHBondContact CE1-O 3.39Å; F230-T486 WeakPolarHBondContact CZ-OG1 3.42Å; E233-T486 HydrophobicContact CB-CG2 4.43Å; E233-T486 PolarHBondContact N-OG1 2.72Å; E233-T486 PolarHBondContact O-N 2.58Å; E233-T486 PolarHBondContact O-OG1 3.05Å; F235-T486 HydrophobicContact CD1-CG2 3.9Å; F235-T486 HydrophobicContact CE1-CG2 4.08Å; F260-T486 HydrophobicContact CE1-CG2 3.97Å; F260-T486 HydrophobicContact CZ-CG2 4.28Å
487	G	91.4	Very high	96.2	Very high	55 Å²	55	51.2 Å²	51.2	57%	0.567	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-95.6	150.9	174.5	0	0	0	0	0	112.6	F230	F230-G487 VanDerWaalsContact CZ-C 3.47Å; F230-G487 VanDerWaalsContact CZ-O 3.23Å; F230-G487 WeakPolarHBondContact CZ-O 3.44Å
488	P	92.2	Very high	96.5	Very high	68 Å²	68	47.1 Å²	47.1	44%	0.442	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-63.4	161.6	169.8	29.6	-35.2	0	0	0	110.6	I227 F230	I227-P488 HydrophobicContact CG2-CB 4.33Å; F230-P488 HydrophobicContact CB-CB 3.86Å; F230-P488 HydrophobicContact CD1-CB 3.68Å; F230-P488 HydrophobicContact CD1-CG 4.33Å; F230-P488 HydrophobicContact CD2-CB 4.41Å; F230-P488 HydrophobicContact CE1-CB 4.32Å; F230-P488 VanDerWaalsContact CE1-N 3.33Å; F230-P488 HydrophobicContact CG-CB 3.73Å
489	P	95.4	Very high	96.5	Very high	53 Å²	53	43.7 Å²	43.7	34%	0.344	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-61.7	164.8	165.8	30.4	-35.1	0	0	0	110.3	Q226 I227	Q226-P489 HydrophobicContact CB-CG 4.29Å; I227-P489 HydrophobicContact CG1-CG 4.01Å; I227-P489 VanDerWaalsContact CG1-O 3.26Å; I227-P489 WeakPolarHBondContact CG1-O 3.44Å
490	D	97.1	Very high	96.6	Very high	79 Å²	79	44.3 Å²	44.3	42%	0.422	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-91.9	169.6	170.5	-149.9	-32.4	0	0	0	110.7	R223 K532	R223-D490 WeakPolarHBondContact CD-O 3.32Å; R223-D490 VanDerWaalsContact CG-O 3.23Å; R223-D490 WeakPolarHBondContact CG-O 3.38Å; R223-D490 PolarHBondContact NH1-O 2.99Å; D490-K532 IonicContact OD1-NZ 3.57Å; D490-K532 WeakPolarHBondContact OD2-CE 3.48Å; D490-K532 IonicContact OD2-NZ 2.66Å; D490-K532 PolarHBondContact OD2-NZ 2.9Å
491	Y	98.2	Very high	96.7	Very high	30 Å²	30	42.2 Å²	42.2	12%	0.118	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58.7	149.8	169.8	-68	-71.5	0	0	0	111.1	H224 I227 T493 L528 Q534	H224-Y491 HydrophobicContact CB-CE1 3.99Å; H224-Y491 AromaticContact ND1-CE1 3.63Å; H224-Y491 AromaticContact ND1-CZ 3.99Å; H224-Y491 PolarHBondContact ND1-OH 2.93Å; I227-Y491 HydrophobicContact CD1-CD1 3.75Å; I227-Y491 HydrophobicContact CD1-CD2 4.31Å; I227-Y491 HydrophobicContact CD1-CE1 3.82Å; I227-Y491 HydrophobicContact CD1-CE2 4.38Å; I227-Y491 HydrophobicContact CD1-CG 4Å; Y491-T493 PolarHBondContact O-N 3.41Å; Y491-L528 HydrophobicContact CD2-CD1 4.49Å; Y491-Q534 HydrophobicContact CD1-CB 4.3Å; Y491-Q534 HydrophobicContact CD1-CG 4.32Å; Y491-Q534 HydrophobicContact CD2-CB 4.23Å; Y491-Q534 HydrophobicContact CD2-CG 4.37Å; Y491-Q534 HydrophobicContact CE1-CB 4.38Å; Y491-Q534 HydrophobicContact CE1-CG 3.9Å; Y491-Q534 HydrophobicContact CE2-CB 4.3Å; Y491-Q534 HydrophobicContact CE2-CG 3.94Å; Y491-Q534 HydrophobicContact CG-CB 4.22Å; Y491-Q534 PolarHBondContact OH-NE2 2.81Å
492	L	98.6	Very high	96.6	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-60.1	128.2	177.8	-74.1	172.9	0	0	0	110	F219 R223 E496 L497 K532 L533	F219-L492 HydrophobicContact CB-CD1 3.87Å; F219-L492 WeakPolarHBondContact O-CD1 3.31Å; R223-L492 HydrophobicContact CB-CD1 4.25Å; R223-L492 HydrophobicContact CB-CG 3.9Å; R223-L492 HydrophobicContact CG-CG 4.09Å; L492-E496 WeakPolarHBondContact CA-OE2 3.37Å; L492-E496 HydrophobicContact CD2-CB 3.55Å; L492-E496 HydrophobicContact CD2-CG 4.4Å; L492-L497 HydrophobicContact CD1-CD1 4.37Å; L492-K532 CarbonylContact O-C 3.57Å; L492-K532 WeakPolarHBondContact O-CA 3.47Å; L492-L533 PolarHBondContact O-N 3.17Å
493	T	98.4	Very high	96.5	Very high	32 Å²	32	48.9 Å²	48.9	20%	0.196	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-68.1	157.6	159.4	60.2	0	0	0	0	110.2	Y491 S495 E496 L497 R531 K532	Y491-T493 PolarHBondContact O-N 3.41Å; T493-S495 PolarHBondContact O-N 2.82Å; T493-E496 PolarHBondContact N-OE2 2.95Å; T493-E496 PolarHBondContact O-N 2.68Å; T493-E496 WeakPolarHBondContact OG1-CG 3.32Å; T493-E496 PolarHBondContact OG1-N 3.2Å; T493-E496 VanDerWaalsContact OG1-N 3.12Å; T493-E496 PolarHBondContact OG1-OE2 2.83Å; T493-L497 PolarHBondContact O-N 2.65Å; T493-R531 WeakPolarHBondContact CA-O 3.42Å; T493-K532 HydrophobicContact CG2-CG 3.97Å
494	E	98.1	Very high	96.5	Very high	5 Å²	5	46 Å²	46	2%	0.023	25%	0.25	C	S	.	.	H	α-helix	trans	-55.5	-35.3	170.4	-68.8	167.8	157.3	0	0	111.8	S306 P313 L497 I498 I516 L527 R531 L533	S306-E494 WeakPolarHBondContact CB-OE2 3.4Å; S306-E494 WeakPolarHBondContact OG-CB 3.4Å; S306-E494 PolarHBondContact OG-OE2 2.84Å; P313-E494 WeakPolarHBondContact CD-OE1 3.37Å; P313-E494 VanDerWaalsContact CD-OE2 3.27Å; P313-E494 WeakPolarHBondContact CD-OE2 3.36Å; P313-E494 HydrophobicContact CG-CB 4.18Å; P313-E494 HydrophobicContact CG-CG 4.47Å; E494-L497 PolarHBondContact O-N 3.06Å; E494-I498 WeakPolarHBondContact O-CD1 3.33Å; E494-I498 VanDerWaalsContact O-CG1 3.22Å; E494-I498 WeakPolarHBondContact O-CG1 3.49Å; E494-I498 PolarHBondContact O-N 3.46Å; E494-I516 HydrophobicContact CG-CG2 4.42Å; E494-L527 HydrophobicContact CG-CD1 4.29Å; E494-R531 PolarHBondContact N-O 3.01Å; E494-R531 IonicContact OE1-CZ 2.76Å; E494-R531 IonicContact OE1-NE 3.28Å; E494-R531 IonicContact OE1-NH2 3.55Å; E494-R531 PolarHBondContact OE1-NH2 3.42Å; E494-R531 IonicContact OE2-CZ 3Å; E494-R531 IonicContact OE2-NE 3.11Å; E494-R531 PolarHBondContact OE2-NE 3.34Å; E494-R531 IonicContact OE2-NH2 3.57Å; E494-R531 PolarHBondContact OE2-NH2 2.87Å; E494-L533 HydrophobicContact CG-CD1 3.97Å; E494-L533 HydrophobicContact CG-CD2 4.1Å; E494-L533 HydrophobicContact CG-CG 4.1Å
495	S	97.4	Very high	96.3	Very high	20 Å²	20	46.1 Å²	46.1	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-43.2	176.5	-178.4	0	0	0	0	112.8	R303 T493 L497 T499	R303-S495 WeakPolarHBondContact CB-OG 3.37Å; T493-S495 PolarHBondContact O-N 2.82Å; S495-L497 VanDerWaalsContact C-N 3.34Å; S495-T499 PolarHBondContact O-N 2.74Å; S495-T499 PolarHBondContact O-OG1 3.26Å
496	E	98	Very high	96.2	Very high	68 Å²	68	40.2 Å²	40.2	32%	0.318	22%	0.224	S	C	.	.	H	α-helix	trans	-66.4	-36.7	172.9	-71.6	169.5	99.3	0	0	111.8	R223 L492 T493 T499 A500	R223-E496 IonicContact CZ-OE1 3.23Å; R223-E496 IonicContact NH1-OE1 2.67Å; R223-E496 PolarHBondContact NH1-OE1 3.45Å; R223-E496 VanDerWaalsContact NH1-OE1 3.11Å; R223-E496 IonicContact NH1-OE2 3.69Å; R223-E496 IonicContact NH2-OE1 3.35Å; R223-E496 PolarHBondContact NH2-OE1 3.09Å; L492-E496 WeakPolarHBondContact CA-OE2 3.37Å; L492-E496 HydrophobicContact CD2-CB 3.55Å; L492-E496 HydrophobicContact CD2-CG 4.4Å; T493-E496 PolarHBondContact N-OE2 2.95Å; T493-E496 PolarHBondContact O-N 2.68Å; T493-E496 WeakPolarHBondContact OG1-CG 3.32Å; T493-E496 PolarHBondContact OG1-N 3.2Å; T493-E496 VanDerWaalsContact OG1-N 3.12Å; T493-E496 PolarHBondContact OG1-OE2 2.83Å; E496-T499 WeakPolarHBondContact O-CB 3.48Å; E496-T499 PolarHBondContact O-N 2.97Å; E496-A500 WeakPolarHBondContact O-CB 3.37Å; E496-A500 PolarHBondContact O-N 2.87Å
497	L	98.4	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-43.1	176.9	-178.8	59.6	0	0	0	111.8	T216 F219 L492 T493 E494 S495 T499 A500 M501 I516 I519 L533	T216-L497 HydrophobicContact CG2-CD1 4.2Å; T216-L497 HydrophobicContact CG2-CD2 3.85Å; T216-L497 HydrophobicContact CG2-CG 4.3Å; F219-L497 HydrophobicContact CB-CD1 3.66Å; F219-L497 HydrophobicContact CD2-CD1 3.85Å; F219-L497 HydrophobicContact CG-CD1 4.17Å; L492-L497 HydrophobicContact CD1-CD1 4.37Å; T493-L497 PolarHBondContact O-N 2.65Å; E494-L497 PolarHBondContact O-N 3.06Å; S495-L497 VanDerWaalsContact C-N 3.34Å; L497-T499 VanDerWaalsContact C-N 3.3Å; L497-T499 PolarHBondContact O-N 3.04Å; L497-A500 PolarHBondContact O-N 3.35Å; L497-A500 VanDerWaalsContact O-N 3.16Å; L497-M501 HydrophobicContact CD1-CG 4.33Å; L497-M501 HydrophobicContact CG-SD 4.33Å; L497-M501 WeakPolarHBondContact O-CG 3.33Å; L497-M501 PolarHBondContact O-N 2.85Å; L497-I516 HydrophobicContact CB-CD1 4.5Å; L497-I516 HydrophobicContact CD2-CD1 4.01Å; L497-I516 HydrophobicContact CD2-CG1 3.8Å; L497-I516 HydrophobicContact CD2-CG2 4.44Å; L497-I516 HydrophobicContact CG-CD1 4.12Å; L497-I516 HydrophobicContact CG-CG1 4.28Å; L497-I519 HydrophobicContact CD2-CD1 4.26Å; L497-L533 HydrophobicContact CB-CD1 4.19Å; L497-L533 HydrophobicContact CD2-CD1 3.35Å; L497-L533 HydrophobicContact CG-CD1 4.42Å
498	I	97.9	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-48.6	171.7	-70	159.8	0	0	0	109.7	V299 L302 R303 P313 E494 A500 M501 E502 I512 I516	V299-I498 HydrophobicContact CB-CG2 4.4Å; V299-I498 HydrophobicContact CG1-CG2 3.46Å; V299-I498 VanDerWaalsContact CG1-CG2 3.46Å; L302-I498 HydrophobicContact CB-CD1 3.73Å; R303-I498 HydrophobicContact CG-CB 4.1Å; R303-I498 HydrophobicContact CG-CD1 4.38Å; R303-I498 HydrophobicContact CG-CG2 3.79Å; P313-I498 HydrophobicContact CB-CD1 4.38Å; P313-I498 HydrophobicContact CG-CD1 3.87Å; E494-I498 WeakPolarHBondContact O-CD1 3.33Å; E494-I498 VanDerWaalsContact O-CG1 3.22Å; E494-I498 WeakPolarHBondContact O-CG1 3.49Å; E494-I498 PolarHBondContact O-N 3.46Å; I498-A500 VanDerWaalsContact C-N 3.29Å; I498-A500 PolarHBondContact O-N 3.28Å; I498-M501 PolarHBondContact O-N 3.29Å; I498-E502 WeakPolarHBondContact O-CB 3.32Å; I498-E502 PolarHBondContact O-N 3.05Å; I498-I512 HydrophobicContact CB-CG2 4.34Å; I498-I512 HydrophobicContact CG1-CG2 3.78Å; I498-I512 HydrophobicContact CG2-CD1 4.25Å; I498-I512 HydrophobicContact CG2-CG2 4.41Å; I498-I516 HydrophobicContact CG1-CD1 3.67Å
499	T	96.2	Very high	95.4	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.172	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-38	178.3	-55.8	0	0	0	0	111.8	R303 S495 E496 L497 R503	R303-T499 WeakPolarHBondContact CD-OG1 3.46Å; R303-T499 PolarHBondContact NH1-OG1 3.08Å; R303-T499 VanDerWaalsContact NH1-OG1 3.09Å; S495-T499 PolarHBondContact O-N 2.74Å; S495-T499 PolarHBondContact O-OG1 3.26Å; E496-T499 WeakPolarHBondContact O-CB 3.48Å; E496-T499 PolarHBondContact O-N 2.97Å; L497-T499 VanDerWaalsContact C-N 3.3Å; L497-T499 PolarHBondContact O-N 3.04Å; T499-R503 WeakPolarHBondContact O-CB 3.44Å; T499-R503 PolarHBondContact O-N 2.76Å
500	A	97	Very high	94.9	Very high	16 Å²	16	37 Å²	37	13%	0.132	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-42.9	177.3	0	0	0	0	0	111.7	F219 E496 L497 I498 R503 H504	F219-A500 HydrophobicContact CD1-CB 4.22Å; F219-A500 HydrophobicContact CD2-CB 4.22Å; F219-A500 HydrophobicContact CE1-CB 4.35Å; F219-A500 HydrophobicContact CE2-CB 4.32Å; F219-A500 HydrophobicContact CG-CB 4.17Å; F219-A500 HydrophobicContact CZ-CB 4.4Å; E496-A500 WeakPolarHBondContact O-CB 3.37Å; E496-A500 PolarHBondContact O-N 2.87Å; L497-A500 PolarHBondContact O-N 3.35Å; L497-A500 VanDerWaalsContact O-N 3.16Å; I498-A500 VanDerWaalsContact C-N 3.29Å; I498-A500 PolarHBondContact O-N 3.28Å; A500-R503 PolarHBondContact O-N 3.21Å; A500-H504 PolarHBondContact O-N 2.91Å; A500-H504 VanDerWaalsContact O-N 3.13Å; A500-H504 PolarHBondContact O-ND1 2.82Å
501	M	97.5	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-48.4	177.4	-72.9	-178.1	65.2	0	0	111.8	T216 F219 L497 I498 R503 H504 G505 I506 I512 H515 I516	T216-M501 HydrophobicContact CG2-CE 4.42Å; T216-M501 HydrophobicContact CG2-SD 3.6Å; T216-M501 VanDerWaalsContact CG2-SD 3.6Å; T216-M501 WeakPolarHBondContact OG1-CE 3.28Å; T216-M501 PolarHBondContact OG1-SD 3.43Å; F219-M501 HydrophobicContact CD2-CG 4.32Å; F219-M501 HydrophobicContact CE2-CG 4.15Å; L497-M501 HydrophobicContact CD1-CG 4.33Å; L497-M501 HydrophobicContact CG-SD 4.33Å; L497-M501 WeakPolarHBondContact O-CG 3.33Å; L497-M501 PolarHBondContact O-N 2.85Å; I498-M501 PolarHBondContact O-N 3.29Å; M501-R503 PolarHBondContact O-N 2.78Å; M501-H504 CarbonylContact O-C 3.5Å; M501-H504 PolarHBondContact O-N 3.47Å; M501-G505 PolarHBondContact O-N 3.44Å; M501-I506 HydrophobicContact CB-CG1 4.09Å; M501-I506 HydrophobicContact CE-CG1 4.33Å; M501-I506 HydrophobicContact CG-CD1 4.28Å; M501-I506 HydrophobicContact CG-CG1 4.11Å; M501-I506 PolarHBondContact O-N 3.18Å; M501-I506 VanDerWaalsContact O-N 3.09Å; M501-I512 HydrophobicContact CB-CD1 4.14Å; M501-I512 HydrophobicContact CB-CG1 4.43Å; M501-I512 HydrophobicContact CE-CB 4.27Å; M501-I512 HydrophobicContact CE-CG1 4.14Å; M501-I512 HydrophobicContact CE-CG2 4.11Å; M501-I512 HydrophobicContact SD-CG2 3.87Å; M501-H515 HydrophobicContact CE-CB 4.01Å; M501-I516 HydrophobicContact SD-CD1 4.36Å; M501-I516 HydrophobicContact SD-CG1 4.04Å
502	E	93.9	Very high	94.5	Very high	81 Å²	81	33.4 Å²	33.4	38%	0.379	18%	0.175	S	C	.	.	H	α-helix	trans	-58.3	-49.4	175.5	-178.2	-173.2	-137.4	0	0	111.2	V299 I498 H504 G505	V299-E502 HydrophobicContact CG1-CB 4.29Å; V299-E502 VanDerWaalsContact CG1-CD 3.41Å; V299-E502 HydrophobicContact CG1-CG 4.33Å; V299-E502 WeakPolarHBondContact CG1-OE1 3.49Å; V299-E502 VanDerWaalsContact CG1-OE2 3.31Å; V299-E502 WeakPolarHBondContact CG1-OE2 3.23Å; V299-E502 HydrophobicContact CG2-CG 4.28Å; V299-E502 WeakPolarHBondContact CG2-OE1 3.49Å; I498-E502 WeakPolarHBondContact O-CB 3.32Å; I498-E502 PolarHBondContact O-N 3.05Å; E502-H504 PolarHBondContact O-N 3.5Å; E502-G505 PolarHBondContact O-N 3.16Å
503	R	94.7	Very high	94.4	Very high	187 Å²	187	33.1 Å²	33.1	71%	0.706	17%	0.173	S	C	*	.	H	α-helix	trans	-58.3	-33.4	179.6	-175.9	-176.4	-59.9	171.1	2.2	113.1	T499 A500 M501	T499-R503 WeakPolarHBondContact O-CB 3.44Å; T499-R503 PolarHBondContact O-N 2.76Å; A500-R503 PolarHBondContact O-N 3.21Å; M501-R503 PolarHBondContact O-N 2.78Å
504	H	96.2	Very high	94.2	Very high	62 Å²	62	34.9 Å²	34.9	29%	0.287	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.3	-179.9	-64.7	82.5	0	0	0	113.2	F219 A500 M501 E502 P556 R560	F219-H504 AromaticContact CE1-CE1 3.67Å; F219-H504 AromaticContact CE1-ND1 3.67Å; F219-H504 HydrophobicContact CZ-CB 3.98Å; F219-H504 AromaticContact CZ-CE1 3.96Å; F219-H504 AromaticContact CZ-CG 3.67Å; F219-H504 AromaticContact CZ-ND1 3.47Å; F219-H504 WeakPolarHBondContact CZ-ND1 3.49Å; A500-H504 PolarHBondContact O-N 2.91Å; A500-H504 VanDerWaalsContact O-N 3.13Å; A500-H504 PolarHBondContact O-ND1 2.82Å; M501-H504 CarbonylContact O-C 3.5Å; M501-H504 PolarHBondContact O-N 3.47Å; E502-H504 PolarHBondContact O-N 3.5Å; H504-P556 HydrophobicContact CB-CB 3.9Å; H504-P556 HydrophobicContact CB-CG 3.8Å; H504-R560 WeakPolarHBondContact O-CB 3.49Å; H504-R560 WeakPolarHBondContact O-CD 3.33Å
505	G	93.7	Very high	94.1	Very high	22 Å²	22	35.5 Å²	35.5	23%	0.227	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	41.1	176.6	0	0	0	0	0	113.3	M501 E502 R560	M501-G505 PolarHBondContact O-N 3.44Å; E502-G505 PolarHBondContact O-N 3.16Å; G505-R560 WeakPolarHBondContact O-CA 3.45Å
506	I	94.3	Very high	94.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.181	C	C	.	.			trans	-121.3	145.2	172	68.2	166.6	0	0	0	110.8	P215 F219 M501 P556 R559 R560	P215-I506 HydrophobicContact CB-CD1 3.86Å; F219-I506 HydrophobicContact CE2-CD1 3.89Å; F219-I506 HydrophobicContact CE2-CG1 4.48Å; M501-I506 HydrophobicContact CB-CG1 4.09Å; M501-I506 HydrophobicContact CE-CG1 4.33Å; M501-I506 HydrophobicContact CG-CD1 4.28Å; M501-I506 HydrophobicContact CG-CG1 4.11Å; M501-I506 PolarHBondContact O-N 3.18Å; M501-I506 VanDerWaalsContact O-N 3.09Å; I506-P556 HydrophobicContact CD1-CB 4.12Å; I506-P556 HydrophobicContact CG2-CB 3.88Å; I506-R559 HydrophobicContact CB-CG 4.1Å; I506-R559 HydrophobicContact CG2-CB 3.89Å; I506-R559 HydrophobicContact CG2-CG 3.79Å; I506-R560 HydrophobicContact CG2-CB 4.15Å
507	G	91.5	Very high	94.1	Very high	2 Å²	2	34 Å²	34	2%	0.021	18%	0.178	C	C	.	.	S	Bend	trans	76	31.6	-174.9	0	0	0	0	0	112.7	S511 I512 E563	G507-S511 WeakPolarHBondContact CA-OG 3.44Å; G507-S511 PolarHBondContact O-N 2.75Å; G507-S511 PolarHBondContact O-OG 3.03Å; G507-S511 VanDerWaalsContact O-OG 3.09Å; G507-I512 WeakPolarHBondContact O-CG1 3.39Å; G507-I512 PolarHBondContact O-N 3.44Å; G507-E563 PolarHBondContact N-OE1 3.23Å; G507-E563 PolarHBondContact N-OE2 3.36Å
508	T	87.3	Confident	93.9	Very high	49 Å²	49	36.4 Å²	36.4	30%	0.301	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	173.6	175.3	65.3	0	0	0	0	111.8	A510 S511 E563	T508-A510 VanDerWaalsContact C-N 3.31Å; T508-A510 PolarHBondContact O-N 3.22Å; T508-S511 WeakPolarHBondContact O-CB 3.39Å; T508-S511 PolarHBondContact O-N 3.19Å; T508-S511 PolarHBondContact O-OG 3.27Å; T508-E563 WeakPolarHBondContact CB-OE2 3.3Å; T508-E563 VanDerWaalsContact CG2-OE2 3.31Å; T508-E563 WeakPolarHBondContact CG2-OE2 3.38Å; T508-E563 PolarHBondContact N-OE2 2.99Å; T508-E563 PolarHBondContact OG1-OE2 2.88Å
509	D	84	Confident	93.9	Very high	70 Å²	70	36.4 Å²	36.4	37%	0.374	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	41.8	178.8	-56.7	-51.2	0	0	0	112.6	K119 S511	K119-D509 WeakPolarHBondContact CD-OD2 3.29Å; K119-D509 WeakPolarHBondContact CE-OD1 3.46Å; K119-D509 IonicContact NZ-OD1 2.66Å; K119-D509 PolarHBondContact NZ-OD1 2.91Å; K119-D509 IonicContact NZ-OD2 3.69Å; K119-D509 PolarHBondContact NZ-OD2 3Å; D509-S511 PolarHBondContact O-N 3.17Å; D509-S511 VanDerWaalsContact O-N 3.14Å
510	A	84.9	Confident	93.9	Very high	15 Å²	15	37.1 Å²	37.1	12%	0.124	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	27.7	-179.4	0	0	0	0	0	115	T298 M317 R333 T508 P513	T298-A510 HydrophobicContact CG2-CB 4.08Å; M317-A510 HydrophobicContact CE-CB 4.41Å; R333-A510 HydrophobicContact CB-CB 3.77Å; R333-A510 HydrophobicContact CG-CB 3.72Å; T508-A510 VanDerWaalsContact C-N 3.31Å; T508-A510 PolarHBondContact O-N 3.22Å; A510-P513 WeakPolarHBondContact O-CD 3.5Å
511	S	91	Very high	93.8	Very high	23 Å²	23	42.6 Å²	42.6	16%	0.161	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.7	179.3	64.2	0	0	0	0	114.6	G507 T508 D509 P513 T514 H515	G507-S511 WeakPolarHBondContact CA-OG 3.44Å; G507-S511 PolarHBondContact O-N 2.75Å; G507-S511 PolarHBondContact O-OG 3.03Å; G507-S511 VanDerWaalsContact O-OG 3.09Å; T508-S511 WeakPolarHBondContact O-CB 3.39Å; T508-S511 PolarHBondContact O-N 3.19Å; T508-S511 PolarHBondContact O-OG 3.27Å; D509-S511 PolarHBondContact O-N 3.17Å; D509-S511 VanDerWaalsContact O-N 3.14Å; S511-P513 VanDerWaalsContact C-CD 3.43Å; S511-T514 WeakPolarHBondContact O-CB 3.38Å; S511-T514 PolarHBondContact O-N 3.5Å; S511-T514 VanDerWaalsContact O-N 3.08Å; S511-H515 PolarHBondContact O-CD2 2.98Å; S511-H515 VanDerWaalsContact O-CD2 3.28Å; S511-H515 PolarHBondContact O-N 2.9Å
512	I	95.6	Very high	93.5	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-44.7	-51	174.2	-58.2	-172.9	0	0	0	113.3	V299 I498 M501 G507 T514 H515 I516	V299-I512 HydrophobicContact CG2-CD1 4.33Å; I498-I512 HydrophobicContact CB-CG2 4.34Å; I498-I512 HydrophobicContact CG1-CG2 3.78Å; I498-I512 HydrophobicContact CG2-CD1 4.25Å; I498-I512 HydrophobicContact CG2-CG2 4.41Å; M501-I512 HydrophobicContact CB-CD1 4.14Å; M501-I512 HydrophobicContact CB-CG1 4.43Å; M501-I512 HydrophobicContact CE-CB 4.27Å; M501-I512 HydrophobicContact CE-CG1 4.14Å; M501-I512 HydrophobicContact CE-CG2 4.11Å; M501-I512 HydrophobicContact SD-CG2 3.87Å; G507-I512 WeakPolarHBondContact O-CG1 3.39Å; G507-I512 PolarHBondContact O-N 3.44Å; I512-T514 VanDerWaalsContact C-N 3.26Å; I512-T514 PolarHBondContact O-N 2.83Å; I512-H515 PolarHBondContact O-N 3.33Å; I512-I516 HydrophobicContact CG2-CD1 3.71Å; I512-I516 HydrophobicContact CG2-CG1 4.25Å; I512-I516 WeakPolarHBondContact O-CG1 3.49Å; I512-I516 PolarHBondContact O-N 3.3Å; I512-I516 VanDerWaalsContact O-N 3.11Å
513	P	96.5	Very high	93.5	Very high	5 Å²	5	45 Å²	45	3%	0.032	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-39.2	-177.9	-24.5	34.7	0	0	0	113.3	L302 P313 M317 A510 S511 E517	L302-P513 HydrophobicContact CD1-CG 3.56Å; L302-P513 HydrophobicContact CD2-CG 4.16Å; P313-P513 HydrophobicContact CB-CB 4.05Å; P313-P513 HydrophobicContact CB-CG 4.41Å; M317-P513 HydrophobicContact CB-CG 4.38Å; M317-P513 HydrophobicContact CE-CG 4.42Å; A510-P513 WeakPolarHBondContact O-CD 3.5Å; S511-P513 VanDerWaalsContact C-CD 3.43Å; P513-E517 VanDerWaalsContact O-CB 3.27Å; P513-E517 WeakPolarHBondContact O-CB 3.26Å; P513-E517 PolarHBondContact O-N 3.29Å
514	T	95.2	Very high	93.6	Very high	69 Å²	69	36.2 Å²	36.2	42%	0.423	20%	0.201	S	C	.	.	H	α-helix	trans	-67.1	-42.4	-179	-57.4	0	0	0	0	111.2	S511 I512 E517 N518	S511-T514 WeakPolarHBondContact O-CB 3.38Å; S511-T514 PolarHBondContact O-N 3.5Å; S511-T514 VanDerWaalsContact O-N 3.08Å; I512-T514 VanDerWaalsContact C-N 3.26Å; I512-T514 PolarHBondContact O-N 2.83Å; T514-E517 PolarHBondContact O-N 3.34Å; T514-N518 WeakPolarHBondContact O-CB 3.35Å; T514-N518 PolarHBondContact O-N 2.92Å; T514-N518 PolarHBondContact O-ND2 3.46Å; T514-N518 PolarHBondContact O-OD1 3.37Å
515	H	95.9	Very high	93.7	Very high	19 Å²	19	33.5 Å²	33.5	9%	0.088	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-37.1	-179.6	-62.2	-48.5	0	0	0	112.7	C212 M501 S511 I512 N518 I519	C212-H515 PolarHBondContact SG-CD2 3.39Å; M501-H515 HydrophobicContact CE-CB 4.01Å; S511-H515 PolarHBondContact O-CD2 2.98Å; S511-H515 VanDerWaalsContact O-CD2 3.28Å; S511-H515 PolarHBondContact O-N 2.9Å; I512-H515 PolarHBondContact O-N 3.33Å; H515-N518 PolarHBondContact O-N 3.49Å; H515-I519 PolarHBondContact O-N 3.32Å
516	I	97.6	Very high	93.8	Very high	3 Å²	3	37 Å²	37	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-46.8	172.9	-63.5	-179.7	0	0	0	110.3	T216 P313 E494 L497 I498 M501 I512 N518 I519 V520 L533	T216-I516 HydrophobicContact CG2-CG1 4.27Å; P313-I516 HydrophobicContact CG-CD1 4.33Å; E494-I516 HydrophobicContact CG-CG2 4.42Å; L497-I516 HydrophobicContact CB-CD1 4.5Å; L497-I516 HydrophobicContact CD2-CD1 4.01Å; L497-I516 HydrophobicContact CD2-CG1 3.8Å; L497-I516 HydrophobicContact CD2-CG2 4.44Å; L497-I516 HydrophobicContact CG-CD1 4.12Å; L497-I516 HydrophobicContact CG-CG1 4.28Å; I498-I516 HydrophobicContact CG1-CD1 3.67Å; M501-I516 HydrophobicContact SD-CD1 4.36Å; M501-I516 HydrophobicContact SD-CG1 4.04Å; I512-I516 HydrophobicContact CG2-CD1 3.71Å; I512-I516 HydrophobicContact CG2-CG1 4.25Å; I512-I516 WeakPolarHBondContact O-CG1 3.49Å; I512-I516 PolarHBondContact O-N 3.3Å; I512-I516 VanDerWaalsContact O-N 3.11Å; I516-N518 VanDerWaalsContact C-N 3.29Å; I516-N518 PolarHBondContact O-N 3.29Å; I516-I519 WeakPolarHBondContact O-CG1 3.21Å; I516-I519 PolarHBondContact O-N 3.25Å; I516-V520 WeakPolarHBondContact O-CG2 2.88Å; I516-V520 PolarHBondContact O-N 2.79Å; I516-L533 HydrophobicContact CG2-CD1 4.49Å
517	E	96.4	Very high	93.9	Very high	52 Å²	52	40.3 Å²	40.3	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-39.7	177.6	-175.2	63	-159	0	0	111.6	H314 P513 T514 I519 V520 Q521	H314-E517 HydrophobicContact CB-CB 4.06Å; H314-E517 HydrophobicContact CB-CG 4.18Å; P513-E517 VanDerWaalsContact O-CB 3.27Å; P513-E517 WeakPolarHBondContact O-CB 3.26Å; P513-E517 PolarHBondContact O-N 3.29Å; T514-E517 PolarHBondContact O-N 3.34Å; E517-I519 PolarHBondContact O-N 3.49Å; E517-V520 PolarHBondContact O-N 2.77Å; E517-Q521 HydrophobicContact CG-CG 4.06Å; E517-Q521 WeakPolarHBondContact O-CB 3.4Å; E517-Q521 WeakPolarHBondContact O-CG 3.32Å; E517-Q521 PolarHBondContact O-N 3.22Å; E517-Q521 VanDerWaalsContact OE1-CG 3.28Å; E517-Q521 WeakPolarHBondContact OE1-CG 3.46Å; E517-Q521 PolarHBondContact OE1-NE2 3.3Å
518	N	95.6	Very high	94.1	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.273	23%	0.231	S	C	.	.	H	α-helix	trans	-60	-44.1	179	-74.7	-10.1	0	0	0	112.7	Q213 T514 H515 I516 V520 R522	Q213-N518 HydrophobicContact CG-CB 4.22Å; T514-N518 WeakPolarHBondContact O-CB 3.35Å; T514-N518 PolarHBondContact O-N 2.92Å; T514-N518 PolarHBondContact O-ND2 3.46Å; T514-N518 PolarHBondContact O-OD1 3.37Å; H515-N518 PolarHBondContact O-N 3.49Å; I516-N518 VanDerWaalsContact C-N 3.29Å; I516-N518 PolarHBondContact O-N 3.29Å; N518-V520 VanDerWaalsContact C-N 3.3Å; N518-V520 PolarHBondContact O-N 2.74Å; N518-R522 VanDerWaalsContact O-CB 3.31Å; N518-R522 WeakPolarHBondContact O-CB 3.42Å; N518-R522 WeakPolarHBondContact O-CG 3.39Å; N518-R522 PolarHBondContact O-N 3.36Å
519	I	97.8	Very high	94.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.2	-30.1	179.1	61.2	163.9	0	0	0	112.3	Q213 T216 L217 L497 H515 I516 E517 Y524 V525	Q213-I519 HydrophobicContact CG-CG2 3.42Å; Q213-I519 VanDerWaalsContact CG-CG2 3.42Å; T216-I519 HydrophobicContact CG2-CD1 4Å; L217-I519 HydrophobicContact CB-CG2 4.07Å; L497-I519 HydrophobicContact CD2-CD1 4.26Å; H515-I519 PolarHBondContact O-N 3.32Å; I516-I519 WeakPolarHBondContact O-CG1 3.21Å; I516-I519 PolarHBondContact O-N 3.25Å; E517-I519 PolarHBondContact O-N 3.49Å; I519-Y524 HydrophobicContact CG2-CD2 4.45Å; I519-Y524 PolarHBondContact O-N 2.97Å; I519-V525 HydrophobicContact CB-CG2 4.37Å; I519-V525 HydrophobicContact CD1-CG1 4.07Å; I519-V525 HydrophobicContact CD1-CG2 3.86Å; I519-V525 HydrophobicContact CG1-CG2 3.91Å
520	V	96.2	Very high	94.9	Very high	43 Å²	43	45.3 Å²	45.3	26%	0.261	26%	0.263	S	S	.	.	H	α-helix	trans	-71	-52	174.5	175.1	0	0	0	0	110.3	I516 E517 N518 R522 G523 V525 L533	I516-V520 WeakPolarHBondContact O-CG2 2.88Å; I516-V520 PolarHBondContact O-N 2.79Å; E517-V520 PolarHBondContact O-N 2.77Å; N518-V520 VanDerWaalsContact C-N 3.3Å; N518-V520 PolarHBondContact O-N 2.74Å; V520-R522 PolarHBondContact O-N 3.39Å; V520-G523 PolarHBondContact O-N 2.97Å; V520-V525 HydrophobicContact CB-CG2 4.47Å; V520-V525 HydrophobicContact CG2-CG2 3.74Å; V520-L533 HydrophobicContact CG2-CD2 4.08Å
521	Q	93.8	Very high	95.4	Very high	131 Å²	131	47 Å²	47	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-62.4	-31.2	-179	-72.5	-174.6	1.4	0	0	113.1	E517 G523	E517-Q521 HydrophobicContact CG-CG 4.06Å; E517-Q521 WeakPolarHBondContact O-CB 3.4Å; E517-Q521 WeakPolarHBondContact O-CG 3.32Å; E517-Q521 PolarHBondContact O-N 3.22Å; E517-Q521 VanDerWaalsContact OE1-CG 3.28Å; E517-Q521 WeakPolarHBondContact OE1-CG 3.46Å; E517-Q521 PolarHBondContact OE1-NE2 3.3Å; Q521-G523 PolarHBondContact O-N 3.37Å
522	R	91.7	Very high	95.7	Very high	98 Å²	98	48.5 Å²	48.5	37%	0.37	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.9	175.4	-69.3	-72.5	-177.1	168.4	2.1	113.6	N518 V520 Y524	N518-R522 VanDerWaalsContact O-CB 3.31Å; N518-R522 WeakPolarHBondContact O-CB 3.42Å; N518-R522 WeakPolarHBondContact O-CG 3.39Å; N518-R522 PolarHBondContact O-N 3.36Å; V520-R522 PolarHBondContact O-N 3.39Å; R522-Y524 VanDerWaalsContact C-N 3.33Å; R522-Y524 HydrophobicContact CB-CD1 4.08Å; R522-Y524 HydrophobicContact CB-CD2 4.1Å; R522-Y524 HydrophobicContact CB-CE1 3.92Å; R522-Y524 HydrophobicContact CB-CE2 4.02Å; R522-Y524 HydrophobicContact CB-CG 4.14Å
523	G	93.3	Very high	95.9	Very high	33 Å²	33	48.1 Å²	48.1	34%	0.34	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	26.4	-178.3	0	0	0	0	0	113.5	V520 Q521 T536	V520-G523 PolarHBondContact O-N 2.97Å; Q521-G523 PolarHBondContact O-N 3.37Å; G523-T536 VanDerWaalsContact O-CG2 3.24Å; G523-T536 WeakPolarHBondContact O-CG2 3.43Å; G523-T536 PolarHBondContact O-OG1 3.31Å
524	Y	97.2	Very high	96	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.012	28%	0.276	C	S	.	.	S	Bend	trans	-81.9	-25.4	175.1	-61.4	-16.7	0	0	0	112.4	L206 S208 L217 I519 R522 T536 L538 L542	L206-Y524 VanDerWaalsContact O-CE1 3.24Å; L206-Y524 WeakPolarHBondContact O-CE1 3.47Å; L206-Y524 VanDerWaalsContact O-CZ 3.3Å; L206-Y524 PolarHBondContact O-OH 2.95Å; S208-Y524 WeakPolarHBondContact CA-OH 3.41Å; S208-Y524 WeakPolarHBondContact CB-OH 3.48Å; S208-Y524 PolarHBondContact N-OH 3.48Å; S208-Y524 PolarHBondContact O-OH 2.82Å; S208-Y524 PolarHBondContact OG-OH 3.36Å; L217-Y524 HydrophobicContact CD2-CD2 3.72Å; L217-Y524 HydrophobicContact CD2-CE2 4.49Å; L217-Y524 HydrophobicContact CD2-CG 4.02Å; I519-Y524 HydrophobicContact CG2-CD2 4.45Å; I519-Y524 PolarHBondContact O-N 2.97Å; R522-Y524 VanDerWaalsContact C-N 3.33Å; R522-Y524 HydrophobicContact CB-CD1 4.08Å; R522-Y524 HydrophobicContact CB-CD2 4.1Å; R522-Y524 HydrophobicContact CB-CE1 3.92Å; R522-Y524 HydrophobicContact CB-CE2 4.02Å; R522-Y524 HydrophobicContact CB-CG 4.14Å; Y524-T536 PolarHBondContact O-N 2.92Å; Y524-T536 PolarHBondContact O-OG1 3.11Å; Y524-L538 HydrophobicContact CD1-CD2 4.13Å; Y524-L538 HydrophobicContact CD1-CG 4.22Å; Y524-L538 HydrophobicContact CE1-CD2 3.89Å; Y524-L538 HydrophobicContact CE1-CG 4.19Å; Y524-L542 HydrophobicContact CD1-CD1 4.1Å; Y524-L542 HydrophobicContact CE1-CD1 3.61Å; Y524-L542 HydrophobicContact CE2-CD1 4.14Å
525	V	98	Very high	96.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.2	171.1	-63.5	0	0	0	0	109.2	L217 C220 I519 V520 L533 Q534	L217-V525 HydrophobicContact CD1-CG1 3.7Å; C220-V525 HydrophobicContact CB-CG1 4.13Å; I519-V525 HydrophobicContact CB-CG2 4.37Å; I519-V525 HydrophobicContact CD1-CG1 4.07Å; I519-V525 HydrophobicContact CD1-CG2 3.86Å; I519-V525 HydrophobicContact CG1-CG2 3.91Å; V520-V525 HydrophobicContact CB-CG2 4.47Å; V520-V525 HydrophobicContact CG2-CG2 3.74Å; V525-L533 HydrophobicContact CB-CB 4.4Å; V525-L533 HydrophobicContact CG2-CD2 3.99Å; V525-Q534 CarbonylContact C-O 3.52Å; V525-Q534 VanDerWaalsContact CA-O 3.23Å; V525-Q534 WeakPolarHBondContact CA-O 3.41Å
526	Q	96.1	Very high	96	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.444	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.8	166.2	66.2	-178.2	10.2	0	0	109.8	L528 Q534	Q526-L528 HydrophobicContact CG-CD2 4.05Å; Q526-Q534 HydrophobicContact CG-CB 3.87Å; Q526-Q534 HydrophobicContact CG-CG 4.36Å; Q526-Q534 PolarHBondContact N-O 3.01Å; Q526-Q534 PolarHBondContact O-N 2.81Å
527	L	96.6	Very high	95.6	Very high	71 Å²	71	51.5 Å²	51.5	37%	0.372	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.3	177.3	-169.9	73	0	0	0	109.6	E494 R531 K532 L533	E494-L527 HydrophobicContact CG-CD1 4.29Å; L527-R531 HydrophobicContact CD1-CB 4.23Å; L527-R531 VanDerWaalsContact CD2-NH2 3.32Å; L527-K532 CarbonylContact C-O 3.52Å; L527-K532 WeakPolarHBondContact CA-O 3.26Å; L527-L533 HydrophobicContact CD1-CD2 3.73Å
528	L	95.7	Very high	95.4	Very high	62 Å²	62	49.8 Å²	49.8	33%	0.325	28%	0.28	S	S	.	.			trans	-97.5	178.6	177.5	-55.6	-178.4	0	0	0	112	Y491 Q526 R531 K532 Q534	Y491-L528 HydrophobicContact CD2-CD1 4.49Å; Q526-L528 HydrophobicContact CG-CD2 4.05Å; L528-R531 WeakPolarHBondContact O-CA 3.31Å; L528-R531 PolarHBondContact O-N 3.25Å; L528-R531 VanDerWaalsContact O-N 3.11Å; L528-K532 HydrophobicContact CB-CB 4.26Å; L528-K532 PolarHBondContact N-O 2.79Å; L528-Q534 HydrophobicContact CD1-CB 3.89Å; L528-Q534 HydrophobicContact CG-CB 4.18Å
529	S	93.5	Very high	95.5	Very high	105 Å²	105	47.4 Å²	47.4	73%	0.734	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-56.2	145.2	170.4	59.2	0	0	0	0	111.7	R531	S529-R531 PolarHBondContact O-N 2.61Å
530	G	93.8	Very high	95.3	Very high	59 Å²	59	48.9 Å²	48.9	61%	0.608	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	69.7	16.5	-171.4	0	0	0	0	0	113.9	K532	G530-K532 VanDerWaalsContact C-N 3.28Å; G530-K532 PolarHBondContact O-N 2.81Å
531	R	96	Very high	95.1	Very high	51 Å²	51	47 Å²	47	19%	0.192	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	58.6	37.4	178.7	-50.5	-160	63.3	82.7	17.5	113.5	S306 G310 G312 T493 E494 L527 L528 S529	S306-R531 WeakPolarHBondContact O-CD 3.44Å; S306-R531 WeakPolarHBondContact OG-CD 3.31Å; G310-R531 PolarHBondContact O-NH1 2.91Å; G312-R531 VanDerWaalsContact CA-CZ 3.47Å; T493-R531 WeakPolarHBondContact CA-O 3.42Å; E494-R531 PolarHBondContact N-O 3.01Å; E494-R531 IonicContact OE1-CZ 2.76Å; E494-R531 IonicContact OE1-NE 3.28Å; E494-R531 IonicContact OE1-NH2 3.55Å; E494-R531 PolarHBondContact OE1-NH2 3.42Å; E494-R531 IonicContact OE2-CZ 3Å; E494-R531 IonicContact OE2-NE 3.11Å; E494-R531 PolarHBondContact OE2-NE 3.34Å; E494-R531 IonicContact OE2-NH2 3.57Å; E494-R531 PolarHBondContact OE2-NH2 2.87Å; L527-R531 HydrophobicContact CD1-CB 4.23Å; L527-R531 VanDerWaalsContact CD2-NH2 3.32Å; L528-R531 WeakPolarHBondContact O-CA 3.31Å; L528-R531 PolarHBondContact O-N 3.25Å; L528-R531 VanDerWaalsContact O-N 3.11Å; S529-R531 PolarHBondContact O-N 2.61Å
532	K	98.1	Very high	95.2	Very high	55 Å²	55	40.9 Å²	40.9	24%	0.239	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-82.7	140.1	176.1	-58.7	170.7	-171.8	173.1	0	110.7	D490 L492 T493 L527 L528 G530	D490-K532 IonicContact OD1-NZ 3.57Å; D490-K532 WeakPolarHBondContact OD2-CE 3.48Å; D490-K532 IonicContact OD2-NZ 2.66Å; D490-K532 PolarHBondContact OD2-NZ 2.9Å; L492-K532 CarbonylContact O-C 3.57Å; L492-K532 WeakPolarHBondContact O-CA 3.47Å; T493-K532 HydrophobicContact CG2-CG 3.97Å; L527-K532 CarbonylContact C-O 3.52Å; L527-K532 WeakPolarHBondContact CA-O 3.26Å; L528-K532 HydrophobicContact CB-CB 4.26Å; L528-K532 PolarHBondContact N-O 2.79Å; G530-K532 VanDerWaalsContact C-N 3.28Å; G530-K532 PolarHBondContact O-N 2.81Å
533	L	98.5	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	96.5	-176.6	-62	168.1	0	0	0	109	L492 E494 L497 I516 V520 V525 L527 P535	L492-L533 PolarHBondContact O-N 3.17Å; E494-L533 HydrophobicContact CG-CD1 3.97Å; E494-L533 HydrophobicContact CG-CD2 4.1Å; E494-L533 HydrophobicContact CG-CG 4.1Å; L497-L533 HydrophobicContact CB-CD1 4.19Å; L497-L533 HydrophobicContact CD2-CD1 3.35Å; L497-L533 HydrophobicContact CG-CD1 4.42Å; I516-L533 HydrophobicContact CG2-CD1 4.49Å; V520-L533 HydrophobicContact CG2-CD2 4.08Å; V525-L533 HydrophobicContact CB-CB 4.4Å; V525-L533 HydrophobicContact CG2-CD2 3.99Å; L527-L533 HydrophobicContact CD1-CD2 3.73Å; L533-P535 WeakPolarHBondContact O-CD 3.19Å
534	Q	98.2	Very high	95.5	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122	176.2	176.5	177.2	16.1	0	0	109.8	Y491 V525 Q526 L528 T536	Y491-Q534 HydrophobicContact CD1-CB 4.3Å; Y491-Q534 HydrophobicContact CD1-CG 4.32Å; Y491-Q534 HydrophobicContact CD2-CB 4.23Å; Y491-Q534 HydrophobicContact CD2-CG 4.37Å; Y491-Q534 HydrophobicContact CE1-CB 4.38Å; Y491-Q534 HydrophobicContact CE1-CG 3.9Å; Y491-Q534 HydrophobicContact CE2-CB 4.3Å; Y491-Q534 HydrophobicContact CE2-CG 3.94Å; Y491-Q534 HydrophobicContact CG-CB 4.22Å; Y491-Q534 PolarHBondContact OH-NE2 2.81Å; V525-Q534 CarbonylContact C-O 3.52Å; V525-Q534 VanDerWaalsContact CA-O 3.23Å; V525-Q534 WeakPolarHBondContact CA-O 3.41Å; Q526-Q534 HydrophobicContact CG-CB 3.87Å; Q526-Q534 HydrophobicContact CG-CG 4.36Å; Q526-Q534 PolarHBondContact N-O 3.01Å; Q526-Q534 PolarHBondContact O-N 2.81Å; L528-Q534 HydrophobicContact CD1-CB 3.89Å; L528-Q534 HydrophobicContact CG-CB 4.18Å; Q534-T536 PolarHBondContact O-N 2.8Å
535	P	97.7	Very high	95.2	Very high	5 Å²	5	37 Å²	37	3%	0.032	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	135.9	172.3	-27.2	37.7	0	0	0	112.8	C220 V221 H224 L533 I540	C220-P535 HydrophobicContact CB-CG 3.9Å; C220-P535 WeakPolarHBondContact O-CG 3.35Å; V221-P535 HydrophobicContact CG2-CB 3.94Å; V221-P535 HydrophobicContact CG2-CG 3.97Å; H224-P535 HydrophobicContact CB-CG 3.9Å; L533-P535 WeakPolarHBondContact O-CD 3.19Å; P535-I540 HydrophobicContact CB-CD1 4.12Å; P535-I540 HydrophobicContact CB-CG1 3.52Å
536	T	94.6	Very high	95.2	Very high	25 Å²	25	36.9 Å²	36.9	15%	0.153	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-80.9	164.6	170.3	67.9	0	0	0	0	110	G523 Y524 Q534 L538 G539 I540	G523-T536 VanDerWaalsContact O-CG2 3.24Å; G523-T536 WeakPolarHBondContact O-CG2 3.43Å; G523-T536 PolarHBondContact O-OG1 3.31Å; Y524-T536 PolarHBondContact O-N 2.92Å; Y524-T536 PolarHBondContact O-OG1 3.11Å; Q534-T536 PolarHBondContact O-N 2.8Å; T536-L538 PolarHBondContact O-N 3.08Å; T536-G539 WeakPolarHBondContact O-CA 3.41Å; T536-G539 PolarHBondContact O-N 2.97Å; T536-G539 PolarHBondContact OG1-N 3.26Å; T536-I540 WeakPolarHBondContact O-CG1 3.41Å; T536-I540 PolarHBondContact O-N 3.02Å
537	P	88.9	Confident	95	Very high	90 Å²	90	35.6 Å²	35.6	58%	0.584	21%	0.206	S	C	*	.	H	α-helix	trans	-52.4	-39.2	175.1	-28.7	36.2	0	0	0	113.1	V541	P537-V541 WeakPolarHBondContact O-CB 3.48Å; P537-V541 VanDerWaalsContact O-CG1 3.27Å; P537-V541 WeakPolarHBondContact O-CG1 3.16Å; P537-V541 PolarHBondContact O-N 3.03Å
538	L	92.9	Very high	94.7	Very high	16 Å²	16	36.5 Å²	36.5	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-41.7	174.5	179.5	59.2	0	0	0	112.5	L202 L206 V207 Y524 T536 V541 L542 F605 F609	L202-L538 HydrophobicContact CD1-CD1 3.77Å; L206-L538 HydrophobicContact CB-CD2 3.88Å; V207-L538 HydrophobicContact CG2-CD1 4.17Å; Y524-L538 HydrophobicContact CD1-CD2 4.13Å; Y524-L538 HydrophobicContact CD1-CG 4.22Å; Y524-L538 HydrophobicContact CE1-CD2 3.89Å; Y524-L538 HydrophobicContact CE1-CG 4.19Å; T536-L538 PolarHBondContact O-N 3.08Å; L538-V541 HydrophobicContact CD1-CG1 4.37Å; L538-V541 WeakPolarHBondContact O-CG1 3.38Å; L538-L542 HydrophobicContact CD1-CD1 3.95Å; L538-L542 HydrophobicContact CD1-CG 4.02Å; L538-L542 HydrophobicContact CG-CD1 3.97Å; L538-L542 HydrophobicContact CG-CG 4.48Å; L538-L542 WeakPolarHBondContact O-CB 3.22Å; L538-L542 WeakPolarHBondContact O-CD1 3.42Å; L538-L542 WeakPolarHBondContact O-CG 3.36Å; L538-L542 PolarHBondContact O-N 3.28Å; L538-L542 VanDerWaalsContact O-N 3.09Å; L538-F605 HydrophobicContact CD1-CE1 4.02Å; L538-F605 HydrophobicContact CD1-CZ 4.07Å; L538-F609 HydrophobicContact CB-CZ 4.16Å; L538-F609 HydrophobicContact CD1-CE2 4.33Å; L538-F609 HydrophobicContact CD1-CZ 4.04Å
539	G	96	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-43.7	177.9	0	0	0	0	0	112.5	T536 V543	T536-G539 WeakPolarHBondContact O-CA 3.41Å; T536-G539 PolarHBondContact O-N 2.97Å; T536-G539 PolarHBondContact OG1-N 3.26Å; G539-V543 PolarHBondContact O-N 2.93Å
540	I	94.2	Very high	94.7	Very high	31 Å²	31	30.3 Å²	30.3	16%	0.159	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-55.3	179.1	-63.8	164	0	0	0	110.2	V221 H224 P535 T536 L542 V543 H544	V221-I540 HydrophobicContact CG2-CG1 4.48Å; H224-I540 WeakPolarHBondContact NE2-CD1 3.32Å; P535-I540 HydrophobicContact CB-CD1 4.12Å; P535-I540 HydrophobicContact CB-CG1 3.52Å; T536-I540 WeakPolarHBondContact O-CG1 3.41Å; T536-I540 PolarHBondContact O-N 3.02Å; I540-L542 VanDerWaalsContact C-N 3.29Å; I540-L542 PolarHBondContact O-N 2.94Å; I540-V543 PolarHBondContact O-N 3.49Å; I540-V543 VanDerWaalsContact O-N 3.15Å; I540-H544 WeakPolarHBondContact CG2-CE1 3.39Å; I540-H544 WeakPolarHBondContact CG2-ND1 3.32Å; I540-H544 PolarHBondContact O-N 3.26Å
541	V	92.6	Very high	94.7	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-31.5	-175.4	75.1	0	0	0	0	112.7	P537 L538 G545 L604 F605 F609	P537-V541 WeakPolarHBondContact O-CB 3.48Å; P537-V541 VanDerWaalsContact O-CG1 3.27Å; P537-V541 WeakPolarHBondContact O-CG1 3.16Å; P537-V541 PolarHBondContact O-N 3.03Å; L538-V541 HydrophobicContact CD1-CG1 4.37Å; L538-V541 WeakPolarHBondContact O-CG1 3.38Å; V541-G545 WeakPolarHBondContact O-CA 3.48Å; V541-G545 PolarHBondContact O-N 2.97Å; V541-L604 VanDerWaalsContact CG2-C 3.49Å; V541-L604 HydrophobicContact CG2-CB 3.63Å; V541-L604 WeakPolarHBondContact CG2-O 3.21Å; V541-F605 HydrophobicContact CB-CD2 4.45Å; V541-F605 HydrophobicContact CB-CE2 4.36Å; V541-F605 HydrophobicContact CG1-CD2 4.05Å; V541-F605 HydrophobicContact CG1-CE1 4.27Å; V541-F605 HydrophobicContact CG1-CE2 3.69Å; V541-F605 HydrophobicContact CG1-CZ 3.81Å; V541-F605 HydrophobicContact CG2-CD2 3.61Å; V541-F605 HydrophobicContact CG2-CE2 3.95Å; V541-F605 HydrophobicContact CG2-CG 4.24Å; V541-F609 HydrophobicContact CG1-CE2 3.77Å; V541-F609 HydrophobicContact CG1-CZ 4.27Å
542	L	96.3	Very high	94.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-52.5	171.9	-79.3	171.6	0	0	0	110.9	V207 Y524 L538 I540 G545 Y546 M601 F605	V207-L542 HydrophobicContact CG1-CD2 3.91Å; Y524-L542 HydrophobicContact CD1-CD1 4.1Å; Y524-L542 HydrophobicContact CE1-CD1 3.61Å; Y524-L542 HydrophobicContact CE2-CD1 4.14Å; L538-L542 HydrophobicContact CD1-CD1 3.95Å; L538-L542 HydrophobicContact CD1-CG 4.02Å; L538-L542 HydrophobicContact CG-CD1 3.97Å; L538-L542 HydrophobicContact CG-CG 4.48Å; L538-L542 WeakPolarHBondContact O-CB 3.22Å; L538-L542 WeakPolarHBondContact O-CD1 3.42Å; L538-L542 WeakPolarHBondContact O-CG 3.36Å; L538-L542 PolarHBondContact O-N 3.28Å; L538-L542 VanDerWaalsContact O-N 3.09Å; I540-L542 VanDerWaalsContact C-N 3.29Å; I540-L542 PolarHBondContact O-N 2.94Å; L542-G545 PolarHBondContact O-N 3.33Å; L542-Y546 HydrophobicContact CB-CD2 4.48Å; L542-Y546 HydrophobicContact CB-CE2 4.09Å; L542-Y546 HydrophobicContact CD2-CE2 4.22Å; L542-Y546 WeakPolarHBondContact O-CD2 3.33Å; L542-Y546 PolarHBondContact O-N 3.29Å; L542-M601 HydrophobicContact CD2-CE 4.3Å; L542-M601 WeakPolarHBondContact O-CE 3.43Å; L542-F605 HydrophobicContact CD2-CE2 4.21Å; L542-F605 HydrophobicContact CD2-CZ 3.74Å; L542-F605 HydrophobicContact CG-CZ 4.13Å
543	V	97.3	Very high	94.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-49.4	-179.3	166.6	0	0	0	0	111.5	L217 V221 G539 I540 G545 Y546 Q547 V554	L217-V543 HydrophobicContact CB-CG2 4.29Å; L217-V543 HydrophobicContact CD2-CG2 3.74Å; L217-V543 HydrophobicContact CG-CG2 3.65Å; V221-V543 HydrophobicContact CB-CB 3.93Å; V221-V543 HydrophobicContact CB-CG1 3.8Å; V221-V543 HydrophobicContact CB-CG2 4.06Å; V221-V543 HydrophobicContact CG1-CB 3.9Å; V221-V543 HydrophobicContact CG1-CG1 3.7Å; V221-V543 HydrophobicContact CG2-CB 3.86Å; V221-V543 HydrophobicContact CG2-CG1 4.3Å; V221-V543 HydrophobicContact CG2-CG2 3.68Å; G539-V543 PolarHBondContact O-N 2.93Å; I540-V543 PolarHBondContact O-N 3.49Å; I540-V543 VanDerWaalsContact O-N 3.15Å; V543-G545 VanDerWaalsContact C-N 3.3Å; V543-G545 PolarHBondContact O-N 3.29Å; V543-Y546 PolarHBondContact O-N 3.48Å; V543-Q547 HydrophobicContact CG1-CG 4.41Å; V543-Q547 WeakPolarHBondContact O-CG 3.4Å; V543-Q547 PolarHBondContact O-N 3.26Å; V543-V554 HydrophobicContact CG1-CG1 3.77Å; V543-V554 HydrophobicContact CG1-CG2 4.3Å
544	H	92.9	Very high	94.6	Very high	52 Å²	52	27.9 Å²	27.9	24%	0.241	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-38.2	178.4	-67.1	168.1	0	0	0	111.9	D225 I540 Q547 T548 L604	D225-H544 VanDerWaalsContact CG-NE2 3.26Å; D225-H544 IonicContact OD1-CE1 3.4Å; D225-H544 PolarHBondContact OD1-CE1 3.47Å; D225-H544 IonicContact OD1-NE2 3.53Å; D225-H544 PolarHBondContact OD1-NE2 3.06Å; D225-H544 IonicContact OD2-CD2 2.87Å; D225-H544 IonicContact OD2-CE1 2.8Å; D225-H544 IonicContact OD2-NE2 2.93Å; D225-H544 PolarHBondContact OD2-NE2 3.05Å; I540-H544 WeakPolarHBondContact CG2-CE1 3.39Å; I540-H544 WeakPolarHBondContact CG2-ND1 3.32Å; I540-H544 PolarHBondContact O-N 3.26Å; H544-Q547 PolarHBondContact O-N 2.77Å; H544-T548 WeakPolarHBondContact O-CB 3.3Å; H544-T548 PolarHBondContact O-N 2.89Å; H544-T548 PolarHBondContact O-OG1 3.06Å; H544-L604 HydrophobicContact CB-CD1 3.93Å
545	G	91.4	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-44.3	174.7	0	0	0	0	0	112.7	V541 L542 V543 T548 I549	V541-G545 WeakPolarHBondContact O-CA 3.48Å; V541-G545 PolarHBondContact O-N 2.97Å; L542-G545 PolarHBondContact O-N 3.33Å; V543-G545 VanDerWaalsContact C-N 3.3Å; V543-G545 PolarHBondContact O-N 3.29Å; G545-T548 PolarHBondContact O-N 2.69Å; G545-I549 WeakPolarHBondContact O-CG1 3.4Å; G545-I549 PolarHBondContact O-N 2.86Å
546	Y	97.1	Very high	94.5	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-43.7	173.8	-68.3	-56.5	0	0	0	111	Q191 F209 T214 L542 V543 T548 I549 D550 L553 V554 F594 M601	Q191-Y546 VanDerWaalsContact CD-OH 3.31Å; Q191-Y546 PolarHBondContact NE2-OH 2.9Å; Q191-Y546 PolarHBondContact OE1-OH 2.92Å; F209-Y546 AromaticContact CD2-CE1 3.82Å; F209-Y546 HydrophobicContact CD2-CE1 3.82Å; F209-Y546 HydrophobicContact CD2-CE2 4.15Å; F209-Y546 AromaticContact CD2-CZ 3.63Å; F209-Y546 HydrophobicContact CE2-CE1 4.41Å; T214-Y546 HydrophobicContact CG2-CD2 3.69Å; T214-Y546 HydrophobicContact CG2-CE2 3.88Å; T214-Y546 HydrophobicContact CG2-CG 4.47Å; L542-Y546 HydrophobicContact CB-CD2 4.48Å; L542-Y546 HydrophobicContact CB-CE2 4.09Å; L542-Y546 HydrophobicContact CD2-CE2 4.22Å; L542-Y546 WeakPolarHBondContact O-CD2 3.33Å; L542-Y546 PolarHBondContact O-N 3.29Å; V543-Y546 PolarHBondContact O-N 3.48Å; Y546-T548 PolarHBondContact O-N 2.79Å; Y546-I549 PolarHBondContact O-N 2.95Å; Y546-D550 CarbonylContact O-C 3.54Å; Y546-D550 VanDerWaalsContact O-C 3.23Å; Y546-D550 PolarHBondContact O-N 3.38Å; Y546-D550 VanDerWaalsContact O-O 3.07Å; Y546-L553 HydrophobicContact CD1-CD1 4.19Å; Y546-V554 HydrophobicContact CD2-CG2 4.44Å; Y546-V554 HydrophobicContact CG-CG2 4.41Å; Y546-F594 HydrophobicContact CD1-CD2 4.26Å; Y546-F594 AromaticContact CD1-CE2 3.52Å; Y546-F594 HydrophobicContact CD1-CE2 3.52Å; Y546-F594 HydrophobicContact CD1-CZ 4.13Å; Y546-F594 AromaticContact CE1-CE2 3.65Å; Y546-F594 HydrophobicContact CE1-CE2 3.65Å; Y546-F594 AromaticContact CE1-CZ 3.76Å; Y546-F594 HydrophobicContact CE1-CZ 3.76Å; Y546-M601 HydrophobicContact CD1-CE 3.61Å; Y546-M601 HydrophobicContact CD2-CE 4.06Å; Y546-M601 HydrophobicContact CE1-CE 3.72Å; Y546-M601 HydrophobicContact CE2-CE 4.16Å; Y546-M601 HydrophobicContact CG-CE 3.77Å; Y546-M601 VanDerWaalsContact N-CE 3.35Å
547	Q	93.5	Very high	94.6	Very high	69 Å²	69	32.5 Å²	32.5	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-36.9	179.5	-74.9	173.1	-37.3	0	0	113.6	V543 H544 I549 V554	V543-Q547 HydrophobicContact CG1-CG 4.41Å; V543-Q547 WeakPolarHBondContact O-CG 3.4Å; V543-Q547 PolarHBondContact O-N 3.26Å; H544-Q547 PolarHBondContact O-N 2.77Å; Q547-I549 PolarHBondContact O-N 3.44Å; Q547-V554 HydrophobicContact CG-CB 3.99Å; Q547-V554 HydrophobicContact CG-CG1 4.29Å; Q547-V554 HydrophobicContact CG-CG2 3.87Å
548	T	89.4	Confident	94.8	Very high	90 Å²	90	29.6 Å²	29.6	55%	0.552	16%	0.157	S	C	*	.	H	α-helix	trans	-62.5	-33.4	176.6	-60.6	0	0	0	0	111.4	H544 G545 Y546	H544-T548 WeakPolarHBondContact O-CB 3.3Å; H544-T548 PolarHBondContact O-N 2.89Å; H544-T548 PolarHBondContact O-OG1 3.06Å; G545-T548 PolarHBondContact O-N 2.69Å; Y546-T548 PolarHBondContact O-N 2.79Å
549	I	93.4	Very high	95	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-87.2	-61.7	178.6	-63.6	169.6	0	0	0	109.9	G545 Y546 Q547 Y593 F594 H597 M601	G545-I549 WeakPolarHBondContact O-CG1 3.4Å; G545-I549 PolarHBondContact O-N 2.86Å; Y546-I549 PolarHBondContact O-N 2.95Å; Q547-I549 PolarHBondContact O-N 3.44Å; I549-Y593 HydrophobicContact CG2-CD1 3.99Å; I549-Y593 HydrophobicContact CG2-CE1 3.92Å; I549-Y593 VanDerWaalsContact O-CE1 3.31Å; I549-Y593 WeakPolarHBondContact O-CE1 3.36Å; I549-F594 HydrophobicContact CB-CD2 4.37Å; I549-F594 HydrophobicContact CD1-CD2 3.74Å; I549-F594 HydrophobicContact CD1-CE2 3.63Å; I549-F594 HydrophobicContact CG2-CB 4.43Å; I549-F594 HydrophobicContact CG2-CD2 3.96Å; I549-H597 WeakPolarHBondContact CD1-O 3.14Å; I549-H597 HydrophobicContact CG1-CB 4.32Å; I549-H597 WeakPolarHBondContact CG1-O 3.35Å; I549-H597 HydrophobicContact CG2-CB 3.98Å; I549-M601 HydrophobicContact CD1-CB 3.85Å
550	D	95.7	Very high	95	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-149.2	100.8	-176.2	179.8	6.6	0	0	0	111	Y546 E552 L553 K590	Y546-D550 CarbonylContact O-C 3.54Å; Y546-D550 VanDerWaalsContact O-C 3.23Å; Y546-D550 PolarHBondContact O-N 3.38Å; Y546-D550 VanDerWaalsContact O-O 3.07Å; D550-E552 PolarHBondContact O-N 2.86Å; D550-E552 VanDerWaalsContact O-N 3.13Å; D550-E552 WeakPolarHBondContact OD1-CB 3.09Å; D550-E552 PolarHBondContact OD1-N 2.6Å; D550-L553 HydrophobicContact CB-CD1 4.03Å; D550-L553 HydrophobicContact CB-CG 4.09Å; D550-L553 WeakPolarHBondContact O-CB 3.42Å; D550-L553 PolarHBondContact O-N 3.48Å; D550-K590 IonicContact OD1-NZ 3.22Å; D550-K590 PolarHBondContact OD1-NZ 3.11Å; D550-K590 VanDerWaalsContact OD2-CD 3.25Å; D550-K590 WeakPolarHBondContact OD2-CD 3.46Å; D550-K590 WeakPolarHBondContact OD2-CE 3.47Å; D550-K590 WeakPolarHBondContact OD2-CG 3.28Å; D550-K590 IonicContact OD2-NZ 3.89Å; D550-K590 PolarHBondContact OD2-NZ 2.99Å
551	A	94.2	Very high	95	Very high	42 Å²	42	35.4 Å²	35.4	35%	0.347	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-57.3	-27.4	-178.8	0	0	0	0	0	114.2	L553 V554 L555	A551-L553 PolarHBondContact O-N 3.45Å; A551-V554 PolarHBondContact O-N 3.24Å; A551-L555 HydrophobicContact CB-CD1 4.34Å; A551-L555 WeakPolarHBondContact O-CG 3.28Å; A551-L555 PolarHBondContact O-N 3.33Å
552	E	96.1	Very high	95.2	Very high	63 Å²	63	35.8 Å²	35.8	29%	0.294	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.9	-15.3	178.5	-74.2	-68.1	132.5	0	0	113.1	D550 V554 H557 M558	D550-E552 PolarHBondContact O-N 2.86Å; D550-E552 VanDerWaalsContact O-N 3.13Å; D550-E552 WeakPolarHBondContact OD1-CB 3.09Å; D550-E552 PolarHBondContact OD1-N 2.6Å; E552-V554 PolarHBondContact O-N 2.95Å; E552-H557 IonicContact OE1-ND1 3.07Å; E552-M558 HydrophobicContact CB-CE 4.24Å; E552-M558 HydrophobicContact CB-CG 4.18Å; E552-M558 HydrophobicContact CB-SD 4.41Å; E552-M558 VanDerWaalsContact O-CE 3.32Å; E552-M558 WeakPolarHBondContact O-CE 3.44Å; E552-M558 WeakPolarHBondContact OE2-CG 3.35Å
553	L	96	Very high	95.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-72.4	-18.2	171.8	-64.7	177.3	0	0	0	113.1	F187 F209 T214 Y546 D550 A551 M558 K590 F594	F187-L553 HydrophobicContact CE1-CD1 4.1Å; F187-L553 HydrophobicContact CE1-CD2 4.39Å; F187-L553 HydrophobicContact CZ-CD2 4.18Å; F209-L553 HydrophobicContact CE2-CB 4.23Å; F209-L553 HydrophobicContact CE2-CD2 4.4Å; F209-L553 HydrophobicContact CZ-CD2 4.07Å; T214-L553 WeakPolarHBondContact CG2-O 3.37Å; Y546-L553 HydrophobicContact CD1-CD1 4.19Å; D550-L553 HydrophobicContact CB-CD1 4.03Å; D550-L553 HydrophobicContact CB-CG 4.09Å; D550-L553 WeakPolarHBondContact O-CB 3.42Å; D550-L553 PolarHBondContact O-N 3.48Å; A551-L553 PolarHBondContact O-N 3.45Å; L553-M558 HydrophobicContact CD2-CE 4.16Å; L553-K590 HydrophobicContact CD2-CB 4.46Å; L553-K590 HydrophobicContact CD2-CD 4.24Å; L553-F594 HydrophobicContact CD1-CD2 4.11Å
554	V	97.7	Very high	94.9	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.036	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-35.9	179.9	-180	0	0	0	0	111.4	T214 P215 V543 Y546 Q547 A551 E552	T214-V554 HydrophobicContact CG2-CG2 4.12Å; P215-V554 VanDerWaalsContact CA-O 3.23Å; P215-V554 WeakPolarHBondContact CA-O 3.38Å; P215-V554 WeakPolarHBondContact CB-O 3.3Å; V543-V554 HydrophobicContact CG1-CG1 3.77Å; V543-V554 HydrophobicContact CG1-CG2 4.3Å; Y546-V554 HydrophobicContact CD2-CG2 4.44Å; Y546-V554 HydrophobicContact CG-CG2 4.41Å; Q547-V554 HydrophobicContact CG-CB 3.99Å; Q547-V554 HydrophobicContact CG-CG1 4.29Å; Q547-V554 HydrophobicContact CG-CG2 3.87Å; A551-V554 PolarHBondContact O-N 3.24Å; E552-V554 PolarHBondContact O-N 2.95Å
555	L	97.1	Very high	95.1	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.335	21%	0.214	S	C	.	.	S	Bend	trans	-63.1	141.6	176	-66.8	172.1	0	0	0	110.4	A551 H557	A551-L555 HydrophobicContact CB-CD1 4.34Å; A551-L555 WeakPolarHBondContact O-CG 3.28Å; A551-L555 PolarHBondContact O-N 3.33Å; L555-H557 PolarHBondContact O-N 3.48Å
556	P	97	Very high	95.3	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.058	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9	-175.3	30.5	-36.5	0	0	0	113.5	P215 F219 H504 I506 M558 R559 R560	P215-P556 HydrophobicContact CB-CB 4.46Å; F219-P556 HydrophobicContact CE1-CG 4.4Å; F219-P556 HydrophobicContact CZ-CB 4.14Å; F219-P556 HydrophobicContact CZ-CG 3.96Å; H504-P556 HydrophobicContact CB-CB 3.9Å; H504-P556 HydrophobicContact CB-CG 3.8Å; I506-P556 HydrophobicContact CD1-CB 4.12Å; I506-P556 HydrophobicContact CG2-CB 3.88Å; P556-M558 PolarHBondContact O-N 2.77Å; P556-R559 PolarHBondContact O-N 3.21Å; P556-R560 WeakPolarHBondContact O-CB 3.42Å; P556-R560 PolarHBondContact O-N 3Å
557	H	96.1	Very high	95.1	Very high	103 Å²	103	43.8 Å²	43.8	48%	0.477	23%	0.228	S	C	.	.	H	α-helix	trans	-59	-50.7	-170.6	-52.5	145	0	0	0	113.1	E552 L555 R559 R560 A561	E552-H557 IonicContact OE1-ND1 3.07Å; L555-H557 PolarHBondContact O-N 3.48Å; H557-R559 VanDerWaalsContact C-N 3.33Å; H557-R559 PolarHBondContact O-N 3.07Å; H557-R560 PolarHBondContact O-N 3.39Å; H557-A561 PolarHBondContact O-N 2.96Å
558	M	94.1	Very high	95.3	Very high	28 Å²	28	44 Å²	44	14%	0.138	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-44.1	177.8	-77.4	-145.1	-61.2	0	0	112	E552 L553 P556 A561 V562 I586 F587 K590	E552-M558 HydrophobicContact CB-CE 4.24Å; E552-M558 HydrophobicContact CB-CG 4.18Å; E552-M558 HydrophobicContact CB-SD 4.41Å; E552-M558 VanDerWaalsContact O-CE 3.32Å; E552-M558 WeakPolarHBondContact O-CE 3.44Å; E552-M558 WeakPolarHBondContact OE2-CG 3.35Å; L553-M558 HydrophobicContact CD2-CE 4.16Å; P556-M558 PolarHBondContact O-N 2.77Å; M558-A561 PolarHBondContact O-N 3.37Å; M558-V562 WeakPolarHBondContact O-CG2 3.47Å; M558-V562 PolarHBondContact O-N 2.83Å; M558-I586 HydrophobicContact SD-CG2 4.24Å; M558-F587 HydrophobicContact CE-CE1 3.77Å; M558-F587 HydrophobicContact CE-CZ 3.74Å; M558-F587 HydrophobicContact SD-CZ 4.41Å; M558-K590 HydrophobicContact CE-CD 3.46Å; M558-K590 VanDerWaalsContact CE-CD 3.46Å; M558-K590 HydrophobicContact SD-CD 3.66Å; M558-K590 WeakPolarHBondContact SD-CE 3.45Å
559	R	95.9	Very high	95.6	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-42.8	-179	178.2	57.3	-170.9	-167.2	0.3	111	D180 C212 P215 I506 P556 H557 A561 V562 E563	D180-R559 IonicContact OD1-CZ 3.74Å; D180-R559 IonicContact OD1-NH1 3.8Å; D180-R559 PolarHBondContact OD1-NH1 3.06Å; C212-R559 HydrophobicContact CB-CG 4.06Å; P215-R559 HydrophobicContact CG-CB 4.49Å; I506-R559 HydrophobicContact CB-CG 4.1Å; I506-R559 HydrophobicContact CG2-CB 3.89Å; I506-R559 HydrophobicContact CG2-CG 3.79Å; P556-R559 PolarHBondContact O-N 3.21Å; H557-R559 VanDerWaalsContact C-N 3.33Å; H557-R559 PolarHBondContact O-N 3.07Å; R559-A561 VanDerWaalsContact C-N 3.35Å; R559-A561 PolarHBondContact O-N 2.63Å; R559-V562 WeakPolarHBondContact O-CB 3.5Å; R559-V562 PolarHBondContact O-N 3.32Å; R559-E563 IonicContact CZ-OE1 2.75Å; R559-E563 IonicContact NE-OE1 2.64Å; R559-E563 PolarHBondContact NE-OE1 3.21Å; R559-E563 IonicContact NH2-OE1 2.88Å; R559-E563 PolarHBondContact NH2-OE1 2.96Å; R559-E563 PolarHBondContact O-N 2.75Å
560	R	96.3	Very high	95.7	Very high	113 Å²	113	39.4 Å²	39.4	43%	0.426	20%	0.202	S	C	.	.	H	α-helix	trans	-56.2	-49.2	173.8	178.1	-171.1	167.3	164.5	0.3	111.4	H504 G505 I506 P556 H557 V562 E563 E564	H504-R560 WeakPolarHBondContact O-CB 3.49Å; H504-R560 WeakPolarHBondContact O-CD 3.33Å; G505-R560 WeakPolarHBondContact O-CA 3.45Å; I506-R560 HydrophobicContact CG2-CB 4.15Å; P556-R560 WeakPolarHBondContact O-CB 3.42Å; P556-R560 PolarHBondContact O-N 3Å; H557-R560 PolarHBondContact O-N 3.39Å; R560-V562 VanDerWaalsContact C-N 3.26Å; R560-V562 PolarHBondContact O-N 3.23Å; R560-E563 PolarHBondContact O-N 3.2Å; R560-E563 VanDerWaalsContact O-N 3.11Å; R560-E564 IonicContact CZ-OE1 3.17Å; R560-E564 IonicContact NE-OE1 3.77Å; R560-E564 PolarHBondContact NE-OE1 3.31Å; R560-E564 IonicContact NH2-OE1 3.73Å; R560-E564 PolarHBondContact NH2-OE1 3.38Å; R560-E564 VanDerWaalsContact NH2-OE1 3.09Å; R560-E564 WeakPolarHBondContact O-CG 3.07Å; R560-E564 PolarHBondContact O-N 3.12Å
561	A	95.7	Very high	95.7	Very high	49 Å²	49	45.8 Å²	45.8	41%	0.405	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-37.6	178.8	0	0	0	0	0	111.9	H557 M558 R559 Q565	H557-A561 PolarHBondContact O-N 2.96Å; M558-A561 PolarHBondContact O-N 3.37Å; R559-A561 VanDerWaalsContact C-N 3.35Å; R559-A561 PolarHBondContact O-N 2.63Å; A561-Q565 VanDerWaalsContact O-CG 3.29Å; A561-Q565 WeakPolarHBondContact O-CG 3.43Å; A561-Q565 PolarHBondContact O-N 3.33Å
562	V	95.4	Very high	95.8	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-47	172.9	172.7	0	0	0	0	111.2	L179 M558 R559 R560 E564 Q565 L566 V583 F587	L179-V562 HydrophobicContact CD1-CG1 3.88Å; M558-V562 WeakPolarHBondContact O-CG2 3.47Å; M558-V562 PolarHBondContact O-N 2.83Å; R559-V562 WeakPolarHBondContact O-CB 3.5Å; R559-V562 PolarHBondContact O-N 3.32Å; R560-V562 VanDerWaalsContact C-N 3.26Å; R560-V562 PolarHBondContact O-N 3.23Å; V562-E564 VanDerWaalsContact C-N 3.33Å; V562-E564 PolarHBondContact O-N 2.89Å; V562-Q565 WeakPolarHBondContact O-CB 3.34Å; V562-Q565 PolarHBondContact O-N 3.22Å; V562-Q565 VanDerWaalsContact O-N 3.16Å; V562-L566 HydrophobicContact CG1-CD1 4.2Å; V562-L566 HydrophobicContact CG1-CG 4.38Å; V562-L566 WeakPolarHBondContact O-CG 3.29Å; V562-L566 PolarHBondContact O-N 3.05Å; V562-V583 HydrophobicContact CG1-CG1 4.46Å; V562-V583 HydrophobicContact CG2-CG1 3.68Å; V562-V583 HydrophobicContact CG2-CG2 4.13Å; V562-F587 HydrophobicContact CG2-CE2 4.25Å
563	E	94	Very high	95.8	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-37.2	178.8	-69	-168.8	-169.7	0	0	112.5	G507 T508 R559 R560 Q565 L566 N567	G507-E563 PolarHBondContact N-OE1 3.23Å; G507-E563 PolarHBondContact N-OE2 3.36Å; T508-E563 WeakPolarHBondContact CB-OE2 3.3Å; T508-E563 VanDerWaalsContact CG2-OE2 3.31Å; T508-E563 WeakPolarHBondContact CG2-OE2 3.38Å; T508-E563 PolarHBondContact N-OE2 2.99Å; T508-E563 PolarHBondContact OG1-OE2 2.88Å; R559-E563 IonicContact CZ-OE1 2.75Å; R559-E563 IonicContact NE-OE1 2.64Å; R559-E563 PolarHBondContact NE-OE1 3.21Å; R559-E563 IonicContact NH2-OE1 2.88Å; R559-E563 PolarHBondContact NH2-OE1 2.96Å; R559-E563 PolarHBondContact O-N 2.75Å; R560-E563 PolarHBondContact O-N 3.2Å; R560-E563 VanDerWaalsContact O-N 3.11Å; E563-Q565 PolarHBondContact O-N 2.87Å; E563-L566 PolarHBondContact O-N 3.47Å; E563-N567 PolarHBondContact O-N 2.67Å
564	E	94.7	Very high	95.9	Very high	87 Å²	87	50.3 Å²	50.3	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-43.2	171.8	-72.2	174.9	177	0	0	111.7	R560 V562 N567 H568	R560-E564 IonicContact CZ-OE1 3.17Å; R560-E564 IonicContact NE-OE1 3.77Å; R560-E564 PolarHBondContact NE-OE1 3.31Å; R560-E564 IonicContact NH2-OE1 3.73Å; R560-E564 PolarHBondContact NH2-OE1 3.38Å; R560-E564 VanDerWaalsContact NH2-OE1 3.09Å; R560-E564 WeakPolarHBondContact O-CG 3.07Å; R560-E564 PolarHBondContact O-N 3.12Å; V562-E564 VanDerWaalsContact C-N 3.33Å; V562-E564 PolarHBondContact O-N 2.89Å; E564-N567 WeakPolarHBondContact O-CB 3.44Å; E564-N567 PolarHBondContact O-N 2.87Å; E564-H568 PolarHBondContact O-CD2 3.25Å; E564-H568 PolarHBondContact O-N 3.41Å
565	Q	96.1	Very high	95.9	Very high	68 Å²	68	57.3 Å²	57.3	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-39.9	174.9	-68.4	-63.2	-30.8	0	0	112.6	A561 V562 E563 N567 H568 I569 V579	A561-Q565 VanDerWaalsContact O-CG 3.29Å; A561-Q565 WeakPolarHBondContact O-CG 3.43Å; A561-Q565 PolarHBondContact O-N 3.33Å; V562-Q565 WeakPolarHBondContact O-CB 3.34Å; V562-Q565 PolarHBondContact O-N 3.22Å; V562-Q565 VanDerWaalsContact O-N 3.16Å; E563-Q565 PolarHBondContact O-N 2.87Å; Q565-N567 VanDerWaalsContact C-N 3.28Å; Q565-N567 PolarHBondContact O-N 3.15Å; Q565-H568 WeakPolarHBondContact O-CB 3.17Å; Q565-H568 PolarHBondContact O-N 3.3Å; Q565-I569 PolarHBondContact O-N 2.94Å; Q565-V579 HydrophobicContact CB-CG1 3.8Å
566	L	95.7	Very high	95.9	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-39.7	174.3	-66.2	174	0	0	0	111.1	S172 A175 R176 L179 V562 E563 H568 I569 A570	S172-L566 VanDerWaalsContact CB-O 3.31Å; S172-L566 WeakPolarHBondContact CB-O 3.45Å; A175-L566 HydrophobicContact CB-CD2 3.53Å; R176-L566 HydrophobicContact CB-CD1 3.8Å; R176-L566 HydrophobicContact CB-CD2 4.41Å; R176-L566 HydrophobicContact CG-CD1 3.92Å; L179-L566 HydrophobicContact CD1-CD2 4.28Å; V562-L566 HydrophobicContact CG1-CD1 4.2Å; V562-L566 HydrophobicContact CG1-CG 4.38Å; V562-L566 WeakPolarHBondContact O-CG 3.29Å; V562-L566 PolarHBondContact O-N 3.05Å; E563-L566 PolarHBondContact O-N 3.47Å; L566-H568 VanDerWaalsContact C-N 3.32Å; L566-H568 PolarHBondContact O-N 2.85Å; L566-I569 HydrophobicContact CD2-CD1 4.2Å; L566-I569 WeakPolarHBondContact O-CB 3.47Å; L566-I569 PolarHBondContact O-N 2.98Å; L566-I569 VanDerWaalsContact O-N 3.14Å; L566-A570 PolarHBondContact O-N 2.74Å
567	N	93.4	Very high	95.9	Very high	48 Å²	48	61.4 Å²	61.4	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-67.6	-32.7	175.9	-158	35.5	0	0	0	112.4	K119 E563 E564 Q565 I569 A570 R571	K119-N567 PolarHBondContact NZ-OD1 2.88Å; E563-N567 PolarHBondContact O-N 2.67Å; E564-N567 WeakPolarHBondContact O-CB 3.44Å; E564-N567 PolarHBondContact O-N 2.87Å; Q565-N567 VanDerWaalsContact C-N 3.28Å; Q565-N567 PolarHBondContact O-N 3.15Å; N567-I569 VanDerWaalsContact C-N 3.34Å; N567-A570 PolarHBondContact O-N 2.81Å; N567-R571 PolarHBondContact ND2-NH2 3.43Å; N567-R571 WeakPolarHBondContact O-CG 3.41Å; N567-R571 PolarHBondContact O-N 3.24Å
568	H	96.4	Very high	95.9	Very high	74 Å²	74	61.4 Å²	61.4	34%	0.343	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-36	170	-72.2	-60.3	0	0	0	112.6	E564 Q565 L566 G572 H573 A574	E564-H568 PolarHBondContact O-CD2 3.25Å; E564-H568 PolarHBondContact O-N 3.41Å; Q565-H568 WeakPolarHBondContact O-CB 3.17Å; Q565-H568 PolarHBondContact O-N 3.3Å; L566-H568 VanDerWaalsContact C-N 3.32Å; L566-H568 PolarHBondContact O-N 2.85Å; H568-G572 PolarHBondContact O-N 2.76Å; H568-H573 HydrophobicContact CB-CB 4.35Å; H568-H573 WeakPolarHBondContact O-CA 3.39Å; H568-H573 PolarHBondContact O-N 2.83Å; H568-A574 HydrophobicContact CB-CB 3.72Å; H568-A574 PolarHBondContact O-N 2.8Å; H568-A574 VanDerWaalsContact O-N 3.09Å
569	I	97.5	Very high	96.1	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-48.3	170.5	-60	168.8	0	0	0	109.6	H168 L171 A175 Q565 L566 N567 R571 G572 A574 V579	H168-I569 WeakPolarHBondContact CB-O 3.39Å; L171-I569 HydrophobicContact CB-CG2 3.99Å; A175-I569 HydrophobicContact CB-CD1 3.86Å; Q565-I569 PolarHBondContact O-N 2.94Å; L566-I569 HydrophobicContact CD2-CD1 4.2Å; L566-I569 WeakPolarHBondContact O-CB 3.47Å; L566-I569 PolarHBondContact O-N 2.98Å; L566-I569 VanDerWaalsContact O-N 3.14Å; N567-I569 VanDerWaalsContact C-N 3.34Å; I569-R571 VanDerWaalsContact C-N 3.25Å; I569-R571 PolarHBondContact O-N 3.09Å; I569-G572 PolarHBondContact O-N 2.95Å; I569-A574 HydrophobicContact CG1-CB 4.27Å; I569-V579 HydrophobicContact CD1-CB 3.85Å; I569-V579 HydrophobicContact CD1-CG1 3.9Å; I569-V579 HydrophobicContact CD1-CG2 4.05Å; I569-V579 HydrophobicContact CG1-CB 4.3Å; I569-V579 HydrophobicContact CG1-CG2 3.94Å
570	A	95.4	Very high	96.1	Very high	5 Å²	5	61 Å²	61	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-37.4	-178	0	0	0	0	0	113	H168 E169 L566 N567 G572	H168-A570 VanDerWaalsContact CB-O 3.3Å; H168-A570 WeakPolarHBondContact CB-O 3.41Å; E169-A570 HydrophobicContact CG-CB 4.12Å; L566-A570 PolarHBondContact O-N 2.74Å; N567-A570 PolarHBondContact O-N 2.81Å; A570-G572 VanDerWaalsContact C-N 3.31Å; A570-G572 PolarHBondContact O-N 3.26Å
571	R	95	Very high	96.2	Very high	156 Å²	156	62.2 Å²	62.2	59%	0.589	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.1	176.6	-66.3	174.6	-179.8	173.1	-1.2	114.3	N567 I569 H573	N567-R571 PolarHBondContact ND2-NH2 3.43Å; N567-R571 WeakPolarHBondContact O-CG 3.41Å; N567-R571 PolarHBondContact O-N 3.24Å; I569-R571 VanDerWaalsContact C-N 3.25Å; I569-R571 PolarHBondContact O-N 3.09Å; R571-H573 VanDerWaalsContact C-N 3.26Å; R571-H573 PolarHBondContact O-CD2 3.13Å; R571-H573 PolarHBondContact O-N 3.5Å
572	G	95.9	Very high	96.2	Very high	35 Å²	35	65.5 Å²	65.5	36%	0.361	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	12.6	-175.1	0	0	0	0	0	114.6	H568 I569 A570	H568-G572 PolarHBondContact O-N 2.76Å; I569-G572 PolarHBondContact O-N 2.95Å; A570-G572 VanDerWaalsContact C-N 3.31Å; A570-G572 PolarHBondContact O-N 3.26Å
573	H	97.4	Very high	96.3	Very high	143 Å²	143	65.1 Å²	65.1	66%	0.662	32%	0.316	S	S	*	.	S	Bend	trans	-87.9	-13.1	-179.8	-63	175.4	0	0	0	113.3	H568 R571	H568-H573 HydrophobicContact CB-CB 4.35Å; H568-H573 WeakPolarHBondContact O-CA 3.39Å; H568-H573 PolarHBondContact O-N 2.83Å; R571-H573 VanDerWaalsContact C-N 3.26Å; R571-H573 PolarHBondContact O-CD2 3.13Å; R571-H573 PolarHBondContact O-N 3.5Å
574	A	97.1	Very high	96.5	Very high	24 Å²	24	65.4 Å²	65.4	20%	0.198	32%	0.317	C	S	.	.	S	Bend	trans	-134.6	148.9	175.5	0	0	0	0	0	111.6	H568 I569 V579	H568-A574 HydrophobicContact CB-CB 3.72Å; H568-A574 PolarHBondContact O-N 2.8Å; H568-A574 VanDerWaalsContact O-N 3.09Å; I569-A574 HydrophobicContact CG1-CB 4.27Å; A574-V579 HydrophobicContact CB-CG2 3.81Å
575	K	97.4	Very high	96.6	Very high	154 Å²	154	64.1 Å²	64.1	67%	0.67	32%	0.321	S	S	*	.			trans	-85.5	130.7	176.8	-66.3	-172.9	178.9	-178.9	0	110.6	D577 L578 V579	K575-D577 PolarHBondContact O-N 3.36Å; K575-L578 HydrophobicContact CB-CB 4.35Å; K575-L578 HydrophobicContact CB-CD1 4.1Å; K575-L578 HydrophobicContact CB-CG 4.15Å; K575-L578 HydrophobicContact CD-CD1 4.14Å; K575-L578 HydrophobicContact CG-CD1 4.49Å; K575-L578 PolarHBondContact O-N 3.49Å; K575-V579 PolarHBondContact O-N 3.49Å; K575-V579 VanDerWaalsContact O-N 3.13Å
576	Y	96.9	Very high	96.7	Very high	46 Å²	46	63.9 Å²	63.9	18%	0.18	32%	0.322	C	S	.	.	H	α-helix	trans	-46.5	-55	177.9	162.6	-98.7	0	0	0	113.1	L171 D174 A175 E178 L578 V579 L580	L171-Y576 HydrophobicContact CB-CD2 4.36Å; L171-Y576 HydrophobicContact CB-CG 4.5Å; L171-Y576 HydrophobicContact CD2-CD1 4.45Å; L171-Y576 HydrophobicContact CD2-CD2 4.33Å; L171-Y576 HydrophobicContact CD2-CG 4.17Å; L171-Y576 WeakPolarHBondContact O-CD2 3.23Å; D174-Y576 HydrophobicContact CB-CE2 4.17Å; A175-Y576 HydrophobicContact CB-CD2 3.77Å; A175-Y576 HydrophobicContact CB-CE2 3.82Å; E178-Y576 PolarHBondContact OE2-OH 3.48Å; Y576-L578 VanDerWaalsContact C-N 3.34Å; Y576-L578 PolarHBondContact O-N 3.25Å; Y576-V579 PolarHBondContact O-N 3.44Å; Y576-L580 WeakPolarHBondContact O-CB 3.47Å; Y576-L580 PolarHBondContact O-N 3.04Å
577	D	96.7	Very high	96.8	Very high	112 Å²	112	63.7 Å²	63.7	60%	0.599	32%	0.32	S	S	*	.	H	α-helix	trans	-64.8	-36.9	-174.7	-54.8	-66.3	0	0	0	112.8	K575 Q581	K575-D577 PolarHBondContact O-N 3.36Å; D577-Q581 WeakPolarHBondContact O-CB 3.42Å; D577-Q581 PolarHBondContact O-N 3.29Å
578	L	97.5	Very high	97	Very high	104 Å²	104	61.8 Å²	61.8	55%	0.545	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-42.7	-178.9	-65.6	-178.6	0	0	0	111.5	K575 Y576 F582	K575-L578 HydrophobicContact CB-CB 4.35Å; K575-L578 HydrophobicContact CB-CD1 4.1Å; K575-L578 HydrophobicContact CB-CG 4.15Å; K575-L578 HydrophobicContact CD-CD1 4.14Å; K575-L578 HydrophobicContact CG-CD1 4.49Å; K575-L578 PolarHBondContact O-N 3.49Å; Y576-L578 VanDerWaalsContact C-N 3.34Å; Y576-L578 PolarHBondContact O-N 3.25Å; L578-F582 VanDerWaalsContact O-CB 3.26Å; L578-F582 WeakPolarHBondContact O-CB 3.22Å; L578-F582 PolarHBondContact O-N 2.78Å
579	V	97.5	Very high	97.1	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-45.5	175.9	172.8	0	0	0	0	110.1	Q565 I569 A574 K575 Y576 Q581 F582 V583	Q565-V579 HydrophobicContact CB-CG1 3.8Å; I569-V579 HydrophobicContact CD1-CB 3.85Å; I569-V579 HydrophobicContact CD1-CG1 3.9Å; I569-V579 HydrophobicContact CD1-CG2 4.05Å; I569-V579 HydrophobicContact CG1-CB 4.3Å; I569-V579 HydrophobicContact CG1-CG2 3.94Å; A574-V579 HydrophobicContact CB-CG2 3.81Å; K575-V579 PolarHBondContact O-N 3.49Å; K575-V579 VanDerWaalsContact O-N 3.13Å; Y576-V579 PolarHBondContact O-N 3.44Å; V579-Q581 PolarHBondContact O-N 2.88Å; V579-F582 PolarHBondContact O-N 3.35Å; V579-V583 HydrophobicContact CG1-CG2 4.21Å; V579-V583 WeakPolarHBondContact O-CG2 3.11Å; V579-V583 PolarHBondContact O-N 2.66Å
580	L	96.8	Very high	97.1	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-50.3	178.5	-166.8	91.1	0	0	0	111.2	E178 L179 Y576 F582 V583 L584	E178-L580 HydrophobicContact CB-CD1 3.97Å; E178-L580 VanDerWaalsContact CD-CD2 3.5Å; E178-L580 HydrophobicContact CG-CD1 3.81Å; E178-L580 HydrophobicContact CG-CD2 4.42Å; E178-L580 WeakPolarHBondContact OE1-CD2 2.76Å; L179-L580 HydrophobicContact CD2-CD1 3.95Å; L179-L580 HydrophobicContact CG-CD1 4.02Å; Y576-L580 WeakPolarHBondContact O-CB 3.47Å; Y576-L580 PolarHBondContact O-N 3.04Å; L580-F582 VanDerWaalsContact C-N 3.35Å; L580-F582 PolarHBondContact O-N 2.86Å; L580-V583 PolarHBondContact O-N 3.35Å; L580-L584 HydrophobicContact CD1-CD1 4.4Å; L580-L584 HydrophobicContact CD2-CD1 3.96Å; L580-L584 HydrophobicContact CG-CD1 3.75Å; L580-L584 HydrophobicContact CG-CG 4.4Å; L580-L584 VanDerWaalsContact O-CB 3.29Å; L580-L584 WeakPolarHBondContact O-CB 3.45Å; L580-L584 VanDerWaalsContact O-CG 3.24Å; L580-L584 WeakPolarHBondContact O-CG 3.39Å; L580-L584 PolarHBondContact O-N 3.28Å
581	Q	97	Very high	97.3	Very high	137 Å²	137	62.9 Å²	62.9	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-59	-45.9	178.8	-176	-179	7.2	0	0	111.7	D577 V579 A585	D577-Q581 WeakPolarHBondContact O-CB 3.42Å; D577-Q581 PolarHBondContact O-N 3.29Å; V579-Q581 PolarHBondContact O-N 2.88Å; Q581-A585 VanDerWaalsContact O-CB 3.31Å; Q581-A585 WeakPolarHBondContact O-CB 3.34Å; Q581-A585 PolarHBondContact O-N 3.04Å
582	F	97.2	Very high	97.4	Very high	119 Å²	119	62.5 Å²	62.5	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-51.7	-179.6	174.5	-107.4	0	0	0	112	L578 V579 L580 A585 I586	L578-F582 VanDerWaalsContact O-CB 3.26Å; L578-F582 WeakPolarHBondContact O-CB 3.22Å; L578-F582 PolarHBondContact O-N 2.78Å; V579-F582 PolarHBondContact O-N 3.35Å; L580-F582 VanDerWaalsContact C-N 3.35Å; L580-F582 PolarHBondContact O-N 2.86Å; F582-A585 PolarHBondContact O-N 3.26Å; F582-I586 HydrophobicContact CD1-CD1 4.19Å; F582-I586 HydrophobicContact CD2-CD1 4.41Å; F582-I586 HydrophobicContact CE1-CD1 3.64Å; F582-I586 HydrophobicContact CE2-CD1 3.9Å; F582-I586 HydrophobicContact CZ-CD1 3.49Å; F582-I586 VanDerWaalsContact CZ-CD1 3.49Å; F582-I586 PolarHBondContact O-N 2.79Å
583	V	97.4	Very high	97.5	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-66	-43.5	-177.9	177	0	0	0	0	110.9	L179 I183 V562 V579 L580 A585 I586 F587	L179-V583 HydrophobicContact CD1-CB 4.29Å; L179-V583 HydrophobicContact CD1-CG1 4.01Å; L179-V583 HydrophobicContact CD2-CB 3.86Å; L179-V583 HydrophobicContact CD2-CG1 3.68Å; L179-V583 HydrophobicContact CG-CG1 4.44Å; I183-V583 HydrophobicContact CD1-CG1 4.48Å; V562-V583 HydrophobicContact CG1-CG1 4.46Å; V562-V583 HydrophobicContact CG2-CG1 3.68Å; V562-V583 HydrophobicContact CG2-CG2 4.13Å; V579-V583 HydrophobicContact CG1-CG2 4.21Å; V579-V583 WeakPolarHBondContact O-CG2 3.11Å; V579-V583 PolarHBondContact O-N 2.66Å; L580-V583 PolarHBondContact O-N 3.35Å; V583-A585 VanDerWaalsContact C-N 3.31Å; V583-A585 PolarHBondContact O-N 3.15Å; V583-I586 PolarHBondContact O-N 3.43Å; V583-F587 HydrophobicContact CG1-CD2 3.79Å; V583-F587 HydrophobicContact CG1-CE2 3.96Å; V583-F587 WeakPolarHBondContact O-CD2 3.48Å; V583-F587 PolarHBondContact O-N 2.88Å
584	L	97.8	Very high	97.5	Very high	16 Å²	16	59 Å²	59	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-35.3	177.9	-70.4	174.3	0	0	0	112.4	F82 L179 R182 I183 L580 F587 A588	F82-L584 HydrophobicContact CD1-CD2 4.17Å; L179-L584 HydrophobicContact CD2-CD2 3.81Å; L179-L584 HydrophobicContact CD2-CG 3.79Å; R182-L584 HydrophobicContact CB-CD2 3.84Å; R182-L584 VanDerWaalsContact CD-CD1 3.49Å; R182-L584 HydrophobicContact CG-CD2 4.39Å; I183-L584 HydrophobicContact CG1-CD2 4.28Å; L580-L584 HydrophobicContact CD1-CD1 4.4Å; L580-L584 HydrophobicContact CD2-CD1 3.96Å; L580-L584 HydrophobicContact CG-CD1 3.75Å; L580-L584 HydrophobicContact CG-CG 4.4Å; L580-L584 VanDerWaalsContact O-CB 3.29Å; L580-L584 WeakPolarHBondContact O-CB 3.45Å; L580-L584 VanDerWaalsContact O-CG 3.24Å; L580-L584 WeakPolarHBondContact O-CG 3.39Å; L580-L584 PolarHBondContact O-N 3.28Å; L584-F587 PolarHBondContact O-N 3.46Å; L584-A588 WeakPolarHBondContact O-CB 3.33Å; L584-A588 PolarHBondContact O-N 3.36Å
585	A	97.7	Very high	97.5	Very high	59 Å²	59	60 Å²	60	49%	0.488	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.8	0	0	0	0	0	111.9	Q581 F582 V583 A588 A589	Q581-A585 VanDerWaalsContact O-CB 3.31Å; Q581-A585 WeakPolarHBondContact O-CB 3.34Å; Q581-A585 PolarHBondContact O-N 3.04Å; F582-A585 PolarHBondContact O-N 3.26Å; V583-A585 VanDerWaalsContact C-N 3.31Å; V583-A585 PolarHBondContact O-N 3.15Å; A585-A588 PolarHBondContact O-N 3.17Å; A585-A589 PolarHBondContact O-N 3.42Å
586	I	97.3	Very high	97.5	Very high	64 Å²	64	59.4 Å²	59.4	33%	0.328	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-51.8	176.4	-67	169.7	0	0	0	110.5	M558 F582 V583 A588 A589 K590	M558-I586 HydrophobicContact SD-CG2 4.24Å; F582-I586 HydrophobicContact CD1-CD1 4.19Å; F582-I586 HydrophobicContact CD2-CD1 4.41Å; F582-I586 HydrophobicContact CE1-CD1 3.64Å; F582-I586 HydrophobicContact CE2-CD1 3.9Å; F582-I586 HydrophobicContact CZ-CD1 3.49Å; F582-I586 VanDerWaalsContact CZ-CD1 3.49Å; F582-I586 PolarHBondContact O-N 2.79Å; V583-I586 PolarHBondContact O-N 3.43Å; I586-A588 VanDerWaalsContact C-N 3.31Å; I586-A588 PolarHBondContact O-N 3.38Å; I586-A589 PolarHBondContact O-N 3.01Å; I586-K590 PolarHBondContact O-N 2.93Å
587	F	97.7	Very high	97.4	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-68.3	-29.5	-179	-84.3	-84.7	0	0	0	112.9	F82 I183 F187 P211 M558 V562 V583 L584 Y591	F82-F587 HydrophobicContact CE1-CB 3.86Å; I183-F587 HydrophobicContact CD1-CB 4.03Å; I183-F587 HydrophobicContact CD1-CD1 4.05Å; I183-F587 HydrophobicContact CD1-CD2 3.47Å; I183-F587 VanDerWaalsContact CD1-CD2 3.47Å; I183-F587 HydrophobicContact CD1-CE1 4.39Å; I183-F587 HydrophobicContact CD1-CE2 3.86Å; I183-F587 HydrophobicContact CD1-CG 3.57Å; I183-F587 HydrophobicContact CD1-CZ 4.3Å; I183-F587 HydrophobicContact CG1-CB 3.89Å; I183-F587 HydrophobicContact CG1-CD1 4.28Å; I183-F587 HydrophobicContact CG1-CD2 4.29Å; I183-F587 HydrophobicContact CG1-CG 3.9Å; I183-F587 HydrophobicContact CG2-CB 4.44Å; I183-F587 HydrophobicContact CG2-CD1 3.56Å; I183-F587 HydrophobicContact CG2-CE1 3.96Å; I183-F587 HydrophobicContact CG2-CG 4.07Å; F187-F587 HydrophobicContact CE2-CD1 4.39Å; P211-F587 HydrophobicContact CB-CZ 4.44Å; M558-F587 HydrophobicContact CE-CE1 3.77Å; M558-F587 HydrophobicContact CE-CZ 3.74Å; M558-F587 HydrophobicContact SD-CZ 4.41Å; V562-F587 HydrophobicContact CG2-CE2 4.25Å; V583-F587 HydrophobicContact CG1-CD2 3.79Å; V583-F587 HydrophobicContact CG1-CE2 3.96Å; V583-F587 WeakPolarHBondContact O-CD2 3.48Å; V583-F587 PolarHBondContact O-N 2.88Å; L584-F587 PolarHBondContact O-N 3.46Å; F587-Y591 WeakPolarHBondContact O-CB 3.38Å; F587-Y591 PolarHBondContact O-N 3.5Å
588	A	98.1	Very high	97.4	Very high	9 Å²	9	56 Å²	56	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-39.6	172.6	0	0	0	0	0	111.7	F82 L584 A585 I586 Y591 R592	F82-A588 HydrophobicContact CB-CB 4.36Å; F82-A588 HydrophobicContact CD1-CB 3.84Å; F82-A588 HydrophobicContact CD2-CB 4.24Å; F82-A588 HydrophobicContact CE1-CB 4.2Å; F82-A588 HydrophobicContact CG-CB 3.88Å; L584-A588 WeakPolarHBondContact O-CB 3.33Å; L584-A588 PolarHBondContact O-N 3.36Å; A585-A588 PolarHBondContact O-N 3.17Å; I586-A588 VanDerWaalsContact C-N 3.31Å; I586-A588 PolarHBondContact O-N 3.38Å; A588-Y591 PolarHBondContact O-N 3.35Å; A588-R592 WeakPolarHBondContact O-CG 3.44Å; A588-R592 PolarHBondContact O-N 2.96Å; A588-R592 PolarHBondContact O-NH1 3.05Å
589	A	98	Very high	96.9	Very high	54 Å²	54	55.5 Å²	55.5	45%	0.446	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-47.6	173.8	0	0	0	0	0	111.3	A585 I586 Y591 R592 Y593	A585-A589 PolarHBondContact O-N 3.42Å; I586-A589 PolarHBondContact O-N 3.01Å; A589-Y591 VanDerWaalsContact C-N 3.32Å; A589-Y591 PolarHBondContact O-N 3.24Å; A589-R592 PolarHBondContact O-N 3.09Å; A589-Y593 PolarHBondContact O-N 3.46Å; A589-Y593 VanDerWaalsContact O-N 3.09Å
590	K	97.8	Very high	96.3	Very high	41 Å²	41	56 Å²	56	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-37.8	175.2	-72.1	-171.8	167.7	-64.4	0	112.7	D550 L553 M558 I586 Y593 F594	D550-K590 IonicContact OD1-NZ 3.22Å; D550-K590 PolarHBondContact OD1-NZ 3.11Å; D550-K590 VanDerWaalsContact OD2-CD 3.25Å; D550-K590 WeakPolarHBondContact OD2-CD 3.46Å; D550-K590 WeakPolarHBondContact OD2-CE 3.47Å; D550-K590 WeakPolarHBondContact OD2-CG 3.28Å; D550-K590 IonicContact OD2-NZ 3.89Å; D550-K590 PolarHBondContact OD2-NZ 2.99Å; L553-K590 HydrophobicContact CD2-CB 4.46Å; L553-K590 HydrophobicContact CD2-CD 4.24Å; M558-K590 HydrophobicContact CE-CD 3.46Å; M558-K590 VanDerWaalsContact CE-CD 3.46Å; M558-K590 HydrophobicContact SD-CD 3.66Å; M558-K590 WeakPolarHBondContact SD-CE 3.45Å; I586-K590 PolarHBondContact O-N 2.93Å; K590-Y593 PolarHBondContact O-N 2.93Å; K590-F594 VanDerWaalsContact O-CB 3.27Å; K590-F594 WeakPolarHBondContact O-CB 3.49Å; K590-F594 PolarHBondContact O-N 3.03Å
591	Y	98.3	Very high	96.1	Very high	9 Å²	9	55 Å²	55	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-45.7	175	173.7	-94.4	0	0	0	112.1	P78 A79 F82 A186 F187 F190 F587 A588 A589 Y593 F594 V595	P78-Y591 WeakPolarHBondContact CB-OH 3.47Å; A79-Y591 HydrophobicContact CB-CE1 3.79Å; F82-Y591 AromaticContact CE2-CD1 3.74Å; F82-Y591 HydrophobicContact CE2-CD1 3.74Å; F82-Y591 HydrophobicContact CE2-CD2 4.02Å; F82-Y591 HydrophobicContact CE2-CE1 4.46Å; F82-Y591 AromaticContact CE2-CG 3.5Å; F82-Y591 HydrophobicContact CE2-CG 3.5Å; F82-Y591 VanDerWaalsContact CE2-CG 3.5Å; F82-Y591 HydrophobicContact CZ-CD2 4.35Å; F82-Y591 AromaticContact CZ-CG 3.92Å; F82-Y591 HydrophobicContact CZ-CG 3.92Å; A186-Y591 HydrophobicContact CB-CD2 4.27Å; A186-Y591 HydrophobicContact CB-CE2 4.23Å; A186-Y591 WeakPolarHBondContact O-CE2 3.39Å; F187-Y591 HydrophobicContact CD1-CD2 4.19Å; F187-Y591 AromaticContact CD2-CD2 3.94Å; F187-Y591 HydrophobicContact CD2-CD2 3.94Å; F187-Y591 HydrophobicContact CE1-CD2 4.22Å; F187-Y591 AromaticContact CE2-CD2 3.98Å; F187-Y591 HydrophobicContact CE2-CD2 3.98Å; F187-Y591 HydrophobicContact CE2-CG 4.37Å; F187-Y591 HydrophobicContact CG-CD2 4.06Å; F187-Y591 HydrophobicContact CZ-CD2 4.12Å; F187-Y591 HydrophobicContact CZ-CG 4.44Å; F190-Y591 HydrophobicContact CB-CE2 4.02Å; F190-Y591 HydrophobicContact CG-CE2 4.38Å; F587-Y591 WeakPolarHBondContact O-CB 3.38Å; F587-Y591 PolarHBondContact O-N 3.5Å; A588-Y591 PolarHBondContact O-N 3.35Å; A589-Y591 VanDerWaalsContact C-N 3.32Å; A589-Y591 PolarHBondContact O-N 3.24Å; Y591-Y593 PolarHBondContact O-N 3.13Å; Y591-F594 WeakPolarHBondContact O-CB 3.32Å; Y591-F594 PolarHBondContact O-N 3.33Å; Y591-V595 HydrophobicContact CD1-CG2 4.23Å; Y591-V595 HydrophobicContact CD2-CG2 4.42Å; Y591-V595 HydrophobicContact CE1-CG2 3.69Å; Y591-V595 HydrophobicContact CE2-CG2 3.91Å; Y591-V595 VanDerWaalsContact CZ-CG2 3.5Å; Y591-V595 WeakPolarHBondContact O-CG2 3.41Å; Y591-V595 PolarHBondContact O-N 3.36Å
592	R	98.2	Very high	95.7	Very high	148 Å²	148	49.3 Å²	49.3	56%	0.558	25%	0.252	S	S	*	.	H	α-helix	trans	-59.7	-48.5	176.6	-70.4	-179	-164.3	98.6	-1.5	111.2	A588 A589 F594 V595 E596	A588-R592 WeakPolarHBondContact O-CG 3.44Å; A588-R592 PolarHBondContact O-N 2.96Å; A588-R592 PolarHBondContact O-NH1 3.05Å; A589-R592 PolarHBondContact O-N 3.09Å; R592-F594 VanDerWaalsContact C-N 3.27Å; R592-F594 PolarHBondContact O-N 3.01Å; R592-V595 PolarHBondContact O-N 3.28Å; R592-E596 WeakPolarHBondContact O-CG 3.12Å; R592-E596 PolarHBondContact O-N 3.19Å
593	Y	97.7	Very high	95	Very high	105 Å²	105	49.6 Å²	49.6	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-41	176	-175.4	-90.6	0	0	0	111.8	I549 A589 K590 Y591 E596 H597	I549-Y593 HydrophobicContact CG2-CD1 3.99Å; I549-Y593 HydrophobicContact CG2-CE1 3.92Å; I549-Y593 VanDerWaalsContact O-CE1 3.31Å; I549-Y593 WeakPolarHBondContact O-CE1 3.36Å; A589-Y593 PolarHBondContact O-N 3.46Å; A589-Y593 VanDerWaalsContact O-N 3.09Å; K590-Y593 PolarHBondContact O-N 2.93Å; Y591-Y593 PolarHBondContact O-N 3.13Å; Y593-E596 PolarHBondContact O-N 3.14Å; Y593-H597 AromaticContact CD2-CE1 3.63Å; Y593-H597 AromaticContact CD2-ND1 3.71Å; Y593-H597 AromaticContact CE1-ND1 3.87Å; Y593-H597 AromaticContact CE2-CE1 3.3Å; Y593-H597 WeakPolarHBondContact CE2-CE1 3.22Å; Y593-H597 AromaticContact CE2-ND1 3.6Å; Y593-H597 AromaticContact CE2-NE2 3.97Å; Y593-H597 AromaticContact CG-ND1 3.92Å; Y593-H597 AromaticContact CZ-CE1 3.7Å; Y593-H597 AromaticContact CZ-ND1 3.69Å; Y593-H597 PolarHBondContact O-N 3.11Å; Y593-H597 VanDerWaalsContact O-N 3.1Å; Y593-H597 PolarHBondContact O-ND1 2.77Å
594	F	97.8	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.2	177.7	-96.4	0	0	0	113	F187 F190 Q191 Y546 I549 L553 K590 Y591 R592 H597 I598 M601	F187-F594 AromaticContact CD1-CD1 3.88Å; F187-F594 HydrophobicContact CD1-CD1 3.88Å; F187-F594 HydrophobicContact CD1-CE1 4.18Å; F187-F594 HydrophobicContact CD1-CG 4.17Å; F187-F594 HydrophobicContact CE1-CB 3.87Å; F187-F594 AromaticContact CE1-CD1 3.92Å; F187-F594 HydrophobicContact CE1-CD1 3.92Å; F187-F594 HydrophobicContact CE1-CD2 4.38Å; F187-F594 AromaticContact CE1-CG 3.79Å; F187-F594 HydrophobicContact CE1-CG 3.79Å; F190-F594 HydrophobicContact CD1-CD1 4.16Å; F190-F594 AromaticContact CD1-CE1 3.8Å; F190-F594 HydrophobicContact CD1-CE1 3.8Å; F190-F594 HydrophobicContact CE1-CD1 4.12Å; F190-F594 AromaticContact CE1-CE1 3.85Å; F190-F594 HydrophobicContact CE1-CE1 3.85Å; Q191-F594 HydrophobicContact CG-CE1 3.78Å; Q191-F594 HydrophobicContact CG-CZ 3.89Å; Y546-F594 HydrophobicContact CD1-CD2 4.26Å; Y546-F594 AromaticContact CD1-CE2 3.52Å; Y546-F594 HydrophobicContact CD1-CE2 3.52Å; Y546-F594 HydrophobicContact CD1-CZ 4.13Å; Y546-F594 AromaticContact CE1-CE2 3.65Å; Y546-F594 HydrophobicContact CE1-CE2 3.65Å; Y546-F594 AromaticContact CE1-CZ 3.76Å; Y546-F594 HydrophobicContact CE1-CZ 3.76Å; I549-F594 HydrophobicContact CB-CD2 4.37Å; I549-F594 HydrophobicContact CD1-CD2 3.74Å; I549-F594 HydrophobicContact CD1-CE2 3.63Å; I549-F594 HydrophobicContact CG2-CB 4.43Å; I549-F594 HydrophobicContact CG2-CD2 3.96Å; L553-F594 HydrophobicContact CD1-CD2 4.11Å; K590-F594 VanDerWaalsContact O-CB 3.27Å; K590-F594 WeakPolarHBondContact O-CB 3.49Å; K590-F594 PolarHBondContact O-N 3.03Å; Y591-F594 WeakPolarHBondContact O-CB 3.32Å; Y591-F594 PolarHBondContact O-N 3.33Å; R592-F594 VanDerWaalsContact C-N 3.27Å; R592-F594 PolarHBondContact O-N 3.01Å; F594-H597 CarbonylContact O-C 3.58Å; F594-H597 PolarHBondContact O-N 3.39Å; F594-I598 HydrophobicContact CE1-CD1 3.81Å; F594-I598 HydrophobicContact CE2-CD1 4.4Å; F594-I598 HydrophobicContact CZ-CD1 3.67Å; F594-I598 PolarHBondContact O-N 3.25Å; F594-M601 HydrophobicContact CE2-CE 4.25Å; F594-M601 HydrophobicContact CE2-SD 4.45Å; F594-M601 HydrophobicContact CZ-CE 4.37Å; F594-M601 HydrophobicContact CZ-SD 4.12Å
595	V	97.6	Very high	93.9	Very high	45 Å²	45	51.3 Å²	51.3	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.9	171.3	0	0	0	0	111.2	F190 Y591 R592 H597 I598	F190-V595 HydrophobicContact CD1-CG2 4.08Å; F190-V595 HydrophobicContact CD2-CG2 3.95Å; F190-V595 HydrophobicContact CE1-CB 4.45Å; F190-V595 HydrophobicContact CE1-CG2 3.9Å; F190-V595 HydrophobicContact CE2-CB 4.27Å; F190-V595 HydrophobicContact CE2-CG1 3.75Å; F190-V595 HydrophobicContact CE2-CG2 3.78Å; F190-V595 HydrophobicContact CG-CG2 4.11Å; F190-V595 HydrophobicContact CZ-CB 4.04Å; F190-V595 HydrophobicContact CZ-CG1 3.82Å; F190-V595 HydrophobicContact CZ-CG2 3.76Å; Y591-V595 HydrophobicContact CD1-CG2 4.23Å; Y591-V595 HydrophobicContact CD2-CG2 4.42Å; Y591-V595 HydrophobicContact CE1-CG2 3.69Å; Y591-V595 HydrophobicContact CE2-CG2 3.91Å; Y591-V595 VanDerWaalsContact CZ-CG2 3.5Å; Y591-V595 WeakPolarHBondContact O-CG2 3.41Å; Y591-V595 PolarHBondContact O-N 3.36Å; R592-V595 PolarHBondContact O-N 3.28Å; V595-H597 VanDerWaalsContact C-N 3.28Å; V595-H597 PolarHBondContact O-N 3.47Å; V595-I598 VanDerWaalsContact O-CG2 3.31Å; V595-I598 WeakPolarHBondContact O-CG2 3.18Å; V595-I598 PolarHBondContact O-N 3.36Å
596	E	97	Very high	93.3	Very high	140 Å²	140	53.8 Å²	53.8	65%	0.654	27%	0.265	S	S	*	.	H	α-helix	trans	-62.8	-34	178.7	-73.2	171.2	-177.4	0	0	112.6	R592 Y593	R592-E596 WeakPolarHBondContact O-CG 3.12Å; R592-E596 PolarHBondContact O-N 3.19Å; Y593-E596 PolarHBondContact O-N 3.14Å
597	H	95	Very high	92.3	Very high	77 Å²	77	56.9 Å²	56.9	36%	0.356	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	15.7	-175.4	-60.4	82.9	0	0	0	113.6	I549 Y593 F594 V595 N599 G600	I549-H597 WeakPolarHBondContact CD1-O 3.14Å; I549-H597 HydrophobicContact CG1-CB 4.32Å; I549-H597 WeakPolarHBondContact CG1-O 3.35Å; I549-H597 HydrophobicContact CG2-CB 3.98Å; Y593-H597 AromaticContact CD2-CE1 3.63Å; Y593-H597 AromaticContact CD2-ND1 3.71Å; Y593-H597 AromaticContact CE1-ND1 3.87Å; Y593-H597 AromaticContact CE2-CE1 3.3Å; Y593-H597 WeakPolarHBondContact CE2-CE1 3.22Å; Y593-H597 AromaticContact CE2-ND1 3.6Å; Y593-H597 AromaticContact CE2-NE2 3.97Å; Y593-H597 AromaticContact CG-ND1 3.92Å; Y593-H597 AromaticContact CZ-CE1 3.7Å; Y593-H597 AromaticContact CZ-ND1 3.69Å; Y593-H597 PolarHBondContact O-N 3.11Å; Y593-H597 VanDerWaalsContact O-N 3.1Å; Y593-H597 PolarHBondContact O-ND1 2.77Å; F594-H597 CarbonylContact O-C 3.58Å; F594-H597 PolarHBondContact O-N 3.39Å; V595-H597 VanDerWaalsContact C-N 3.28Å; V595-H597 PolarHBondContact O-N 3.47Å; H597-N599 PolarHBondContact O-N 3.42Å; H597-G600 PolarHBondContact O-N 2.96Å
598	I	95.5	Very high	91.5	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.046	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-26.6	-176.5	-170.8	56.1	0	0	0	113.5	F190 F194 F195 F594 V595 G600 M601 D602	F190-I598 HydrophobicContact CE1-CB 4.12Å; F190-I598 HydrophobicContact CE1-CD1 3.8Å; F190-I598 HydrophobicContact CE1-CG1 3.74Å; F190-I598 HydrophobicContact CZ-CB 4.13Å; F190-I598 HydrophobicContact CZ-CG1 4.02Å; F190-I598 HydrophobicContact CZ-CG2 4.29Å; F194-I598 HydrophobicContact CD1-CG1 3.87Å; F194-I598 HydrophobicContact CD2-CG1 4.19Å; F194-I598 HydrophobicContact CD2-CG2 4.33Å; F194-I598 HydrophobicContact CE1-CG1 3.72Å; F194-I598 HydrophobicContact CE2-CG1 4.04Å; F194-I598 HydrophobicContact CE2-CG2 3.65Å; F194-I598 HydrophobicContact CG-CG1 4.11Å; F194-I598 HydrophobicContact CZ-CB 4.45Å; F194-I598 HydrophobicContact CZ-CG1 3.81Å; F194-I598 HydrophobicContact CZ-CG2 3.77Å; F195-I598 HydrophobicContact CZ-CD1 4.39Å; F594-I598 HydrophobicContact CE1-CD1 3.81Å; F594-I598 HydrophobicContact CE2-CD1 4.4Å; F594-I598 HydrophobicContact CZ-CD1 3.67Å; F594-I598 PolarHBondContact O-N 3.25Å; V595-I598 VanDerWaalsContact O-CG2 3.31Å; V595-I598 WeakPolarHBondContact O-CG2 3.18Å; V595-I598 PolarHBondContact O-N 3.36Å; I598-G600 PolarHBondContact O-N 2.94Å; I598-M601 HydrophobicContact CD1-CB 4.29Å; I598-M601 HydrophobicContact CD1-SD 4.35Å; I598-M601 PolarHBondContact O-N 2.86Å; I598-M601 VanDerWaalsContact O-N 3.08Å; I598-D602 PolarHBondContact O-N 2.75Å
599	N	87.8	Confident	90.8	Very high	94 Å²	94	60 Å²	60	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-28.3	177.6	-67.4	-27.4	0	0	0	112.8	H597 D602 Q603	H597-N599 PolarHBondContact O-N 3.42Å; N599-D602 PolarHBondContact O-N 3.22Å; N599-Q603 VanDerWaalsContact O-CG 3.28Å; N599-Q603 WeakPolarHBondContact O-CG 3.48Å; N599-Q603 PolarHBondContact O-N 3.03Å
600	G	84.4	Confident	90	Very high	17 Å²	17	60.5 Å²	60.5	18%	0.175	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-41.2	174.7	0	0	0	0	0	112.3	H597 I598	H597-G600 PolarHBondContact O-N 2.96Å; I598-G600 PolarHBondContact O-N 2.94Å
601	M	92	Very high	89	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.8	-40.4	172.5	177.7	176.1	-86.8	0	0	111.1	F195 L542 Y546 I549 F594 I598 Q603 L604 F605	F195-M601 HydrophobicContact CE2-CG 4.46Å; F195-M601 HydrophobicContact CE2-SD 3.93Å; F195-M601 HydrophobicContact CZ-CG 3.92Å; F195-M601 HydrophobicContact CZ-SD 3.97Å; L542-M601 HydrophobicContact CD2-CE 4.3Å; L542-M601 WeakPolarHBondContact O-CE 3.43Å; Y546-M601 HydrophobicContact CD1-CE 3.61Å; Y546-M601 HydrophobicContact CD2-CE 4.06Å; Y546-M601 HydrophobicContact CE1-CE 3.72Å; Y546-M601 HydrophobicContact CE2-CE 4.16Å; Y546-M601 HydrophobicContact CG-CE 3.77Å; Y546-M601 VanDerWaalsContact N-CE 3.35Å; I549-M601 HydrophobicContact CD1-CB 3.85Å; F594-M601 HydrophobicContact CE2-CE 4.25Å; F594-M601 HydrophobicContact CE2-SD 4.45Å; F594-M601 HydrophobicContact CZ-CE 4.37Å; F594-M601 HydrophobicContact CZ-SD 4.12Å; I598-M601 HydrophobicContact CD1-CB 4.29Å; I598-M601 HydrophobicContact CD1-SD 4.35Å; I598-M601 PolarHBondContact O-N 2.86Å; I598-M601 VanDerWaalsContact O-N 3.08Å; M601-Q603 VanDerWaalsContact C-N 3.33Å; M601-Q603 PolarHBondContact O-N 3.33Å; M601-L604 PolarHBondContact O-N 3.37Å; M601-L604 VanDerWaalsContact O-N 3.16Å; M601-F605 HydrophobicContact CG-CD2 3.69Å; M601-F605 HydrophobicContact CG-CE2 3.56Å; M601-F605 VanDerWaalsContact O-CD2 3.32Å; M601-F605 WeakPolarHBondContact O-CD2 3.31Å; M601-F605 PolarHBondContact O-N 2.9Å; M601-F605 HydrophobicContact SD-CE2 3.93Å
602	D	89.8	Confident	87.7	Confident	18 Å²	18	61 Å²	61	10%	0.096	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-41.7	-179.3	-168.2	51.7	0	0	0	113.3	F194 F195 K198 Y199 I598 N599 L604 F605 E606	F194-D602 HydrophobicContact CE1-CB 4Å; F194-D602 HydrophobicContact CZ-CB 4.33Å; F195-D602 HydrophobicContact CE1-CB 4.45Å; K198-D602 VanDerWaalsContact CE-OD1 3.23Å; K198-D602 WeakPolarHBondContact CE-OD1 3.5Å; K198-D602 WeakPolarHBondContact CE-OD2 3.14Å; K198-D602 IonicContact NZ-OD1 3.91Å; K198-D602 PolarHBondContact NZ-OD1 3.12Å; K198-D602 IonicContact NZ-OD2 3.86Å; K198-D602 PolarHBondContact NZ-OD2 2.88Å; Y199-D602 PolarHBondContact OH-O 3.31Å; Y199-D602 VanDerWaalsContact OH-O 3.12Å; Y199-D602 PolarHBondContact OH-OD1 3.46Å; I598-D602 PolarHBondContact O-N 2.75Å; N599-D602 PolarHBondContact O-N 3.22Å; D602-L604 VanDerWaalsContact C-N 3.3Å; D602-L604 PolarHBondContact O-N 2.8Å; D602-F605 WeakPolarHBondContact O-CB 3.2Å; D602-F605 PolarHBondContact O-N 3.09Å; D602-F605 VanDerWaalsContact O-N 3.14Å; D602-E606 PolarHBondContact O-N 2.9Å
603	Q	83	Confident	86.4	Confident	124 Å²	124	56.1 Å²	56.1	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-58.7	-41	176.1	-74	169.2	6.8	0	0	112.1	N599 M601 E606 V607	N599-Q603 VanDerWaalsContact O-CG 3.28Å; N599-Q603 WeakPolarHBondContact O-CG 3.48Å; N599-Q603 PolarHBondContact O-N 3.03Å; M601-Q603 VanDerWaalsContact C-N 3.33Å; M601-Q603 PolarHBondContact O-N 3.33Å; Q603-E606 PolarHBondContact O-N 2.9Å; Q603-V607 WeakPolarHBondContact O-CG2 3.45Å; Q603-V607 PolarHBondContact O-N 2.93Å
604	L	83.3	Confident	85.3	Confident	57 Å²	57	55 Å²	55	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-69.6	-36	177.3	-61.5	178.7	0	0	0	111.9	V541 H544 M601 D602 V607 S608	V541-L604 VanDerWaalsContact CG2-C 3.49Å; V541-L604 HydrophobicContact CG2-CB 3.63Å; V541-L604 WeakPolarHBondContact CG2-O 3.21Å; H544-L604 HydrophobicContact CB-CD1 3.93Å; M601-L604 PolarHBondContact O-N 3.37Å; M601-L604 VanDerWaalsContact O-N 3.16Å; D602-L604 VanDerWaalsContact C-N 3.3Å; D602-L604 PolarHBondContact O-N 2.8Å; L604-V607 PolarHBondContact O-N 3.26Å; L604-S608 WeakPolarHBondContact O-CB 3.3Å; L604-S608 PolarHBondContact O-N 2.77Å; L604-S608 VanDerWaalsContact O-N 3.08Å; L604-S608 PolarHBondContact O-OG 3.03Å
605	F	88.7	Confident	84.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-40.6	173.7	-89.4	-111.6	0	0	0	111.6	F195 Y199 L202 V207 L538 V541 L542 M601 D602 V607 S608 F609	F195-F605 HydrophobicContact CD1-CD1 4.26Å; F195-F605 HydrophobicContact CD2-CE1 4.42Å; F195-F605 HydrophobicContact CE1-CB 4.28Å; F195-F605 HydrophobicContact CE1-CD1 4.16Å; F195-F605 HydrophobicContact CE1-CD2 4.38Å; F195-F605 HydrophobicContact CE1-CG 4.02Å; F195-F605 HydrophobicContact CE2-CE1 4.39Å; F195-F605 HydrophobicContact CE2-CE2 4.4Å; F195-F605 HydrophobicContact CE2-CZ 4.24Å; F195-F605 HydrophobicContact CZ-CD1 4.39Å; F195-F605 HydrophobicContact CZ-CD2 4.13Å; F195-F605 HydrophobicContact CZ-CE2 4.22Å; F195-F605 HydrophobicContact CZ-CG 4.2Å; F195-F605 HydrophobicContact CZ-CZ 4.41Å; Y199-F605 HydrophobicContact CD2-CB 4.34Å; Y199-F605 HydrophobicContact CD2-CD1 4.31Å; Y199-F605 HydrophobicContact CE2-CB 3.59Å; Y199-F605 HydrophobicContact CE2-CD1 4.19Å; Y199-F605 HydrophobicContact CE2-CG 4.33Å; L202-F605 HydrophobicContact CD1-CE1 4.09Å; L202-F605 HydrophobicContact CD2-CD1 3.84Å; L202-F605 HydrophobicContact CD2-CE1 3.81Å; V207-F605 HydrophobicContact CG2-CE1 4.41Å; L538-F605 HydrophobicContact CD1-CE1 4.02Å; L538-F605 HydrophobicContact CD1-CZ 4.07Å; V541-F605 HydrophobicContact CB-CD2 4.45Å; V541-F605 HydrophobicContact CB-CE2 4.36Å; V541-F605 HydrophobicContact CG1-CD2 4.05Å; V541-F605 HydrophobicContact CG1-CE1 4.27Å; V541-F605 HydrophobicContact CG1-CE2 3.69Å; V541-F605 HydrophobicContact CG1-CZ 3.81Å; V541-F605 HydrophobicContact CG2-CD2 3.61Å; V541-F605 HydrophobicContact CG2-CE2 3.95Å; V541-F605 HydrophobicContact CG2-CG 4.24Å; L542-F605 HydrophobicContact CD2-CE2 4.21Å; L542-F605 HydrophobicContact CD2-CZ 3.74Å; L542-F605 HydrophobicContact CG-CZ 4.13Å; M601-F605 HydrophobicContact CG-CD2 3.69Å; M601-F605 HydrophobicContact CG-CE2 3.56Å; M601-F605 VanDerWaalsContact O-CD2 3.32Å; M601-F605 WeakPolarHBondContact O-CD2 3.31Å; M601-F605 PolarHBondContact O-N 2.9Å; M601-F605 HydrophobicContact SD-CE2 3.93Å; D602-F605 WeakPolarHBondContact O-CB 3.2Å; D602-F605 PolarHBondContact O-N 3.09Å; D602-F605 VanDerWaalsContact O-N 3.14Å; F605-V607 VanDerWaalsContact C-N 3.28Å; F605-V607 PolarHBondContact O-N 3.3Å; F605-S608 PolarHBondContact O-N 3.36Å; F605-S608 VanDerWaalsContact O-N 3.14Å; F605-F609 HydrophobicContact CB-CD2 4.19Å; F605-F609 AromaticContact CD1-CD2 3.54Å; F605-F609 HydrophobicContact CD1-CD2 3.54Å; F605-F609 AromaticContact CD1-CE2 3.5Å; F605-F609 HydrophobicContact CD1-CE2 3.5Å; F605-F609 VanDerWaalsContact CD1-CE2 3.5Å; F605-F609 HydrophobicContact CE1-CD2 4.21Å; F605-F609 AromaticContact CE1-CE2 3.7Å; F605-F609 HydrophobicContact CE1-CE2 3.7Å; F605-F609 HydrophobicContact CG-CD2 4.08Å; F605-F609 HydrophobicContact CG-CE2 4.17Å; F605-F609 WeakPolarHBondContact O-CB 3.4Å; F605-F609 WeakPolarHBondContact O-CD2 3.33Å; F605-F609 PolarHBondContact O-N 2.98Å
606	E	83.3	Confident	83.5	Confident	111 Å²	111	55 Å²	55	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-33.3	177.4	-172.5	172.5	-158.5	0	0	112.9	Y199 D602 Q603 F609 T611	Y199-E606 HydrophobicContact CE1-CB 4.03Å; Y199-E606 HydrophobicContact CE1-CG 4.44Å; Y199-E606 PolarHBondContact OH-N 2.98Å; D602-E606 PolarHBondContact O-N 2.9Å; Q603-E606 PolarHBondContact O-N 2.9Å; E606-F609 VanDerWaalsContact O-O 3.1Å; E606-T611 HydrophobicContact CG-CG2 4.28Å
607	V	77.3	Confident	83.2	Confident	129 Å²	129	56.2 Å²	56.2	78%	0.782	32%	0.32	S	S	*	.	H	α-helix	trans	-73.8	-36.1	173.9	176.7	0	0	0	0	111.7	Q603 L604 F605	Q603-V607 WeakPolarHBondContact O-CG2 3.45Å; Q603-V607 PolarHBondContact O-N 2.93Å; L604-V607 PolarHBondContact O-N 3.26Å; F605-V607 VanDerWaalsContact C-N 3.28Å; F605-V607 PolarHBondContact O-N 3.3Å
608	S	81.4	Confident	83	Confident	58 Å²	58	56.8 Å²	56.8	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-86.2	-23.2	-173.8	-56.7	0	0	0	0	113.8	L604 F605	L604-S608 WeakPolarHBondContact O-CB 3.3Å; L604-S608 PolarHBondContact O-N 2.77Å; L604-S608 VanDerWaalsContact O-N 3.08Å; L604-S608 PolarHBondContact O-OG 3.03Å; F605-S608 PolarHBondContact O-N 3.36Å; F605-S608 VanDerWaalsContact O-N 3.14Å
609	F	83.9	Confident	82.9	Confident	25 Å²	25	58.1 Å²	58.1	11%	0.11	34%	0.338	C	S	.	.	S	Bend	trans	-130.8	143.4	-171.9	-64.1	-66.5	0	0	0	111.5	Y199 D201 L202 L538 V541 F605 E606	Y199-F609 HydrophobicContact CD1-CB 4.03Å; Y199-F609 HydrophobicContact CG-CB 3.89Å; D201-F609 WeakPolarHBondContact OD1-CA 3.48Å; D201-F609 VanDerWaalsContact OD1-CB 3.24Å; D201-F609 WeakPolarHBondContact OD1-CB 3.35Å; L202-F609 HydrophobicContact CB-CD1 4.29Å; L202-F609 HydrophobicContact CB-CG 4.3Å; L202-F609 HydrophobicContact CD1-CD2 4.39Å; L202-F609 HydrophobicContact CD1-CE1 4.11Å; L202-F609 HydrophobicContact CD1-CE2 3.88Å; L202-F609 HydrophobicContact CD1-CZ 3.75Å; L538-F609 HydrophobicContact CB-CZ 4.16Å; L538-F609 HydrophobicContact CD1-CE2 4.33Å; L538-F609 HydrophobicContact CD1-CZ 4.04Å; V541-F609 HydrophobicContact CG1-CE2 3.77Å; V541-F609 HydrophobicContact CG1-CZ 4.27Å; F605-F609 HydrophobicContact CB-CD2 4.19Å; F605-F609 AromaticContact CD1-CD2 3.54Å; F605-F609 HydrophobicContact CD1-CD2 3.54Å; F605-F609 AromaticContact CD1-CE2 3.5Å; F605-F609 HydrophobicContact CD1-CE2 3.5Å; F605-F609 VanDerWaalsContact CD1-CE2 3.5Å; F605-F609 HydrophobicContact CE1-CD2 4.21Å; F605-F609 AromaticContact CE1-CE2 3.7Å; F605-F609 HydrophobicContact CE1-CE2 3.7Å; F605-F609 HydrophobicContact CG-CD2 4.08Å; F605-F609 HydrophobicContact CG-CE2 4.17Å; F605-F609 WeakPolarHBondContact O-CB 3.4Å; F605-F609 WeakPolarHBondContact O-CD2 3.33Å; F605-F609 PolarHBondContact O-N 2.98Å; E606-F609 VanDerWaalsContact O-O 3.1Å
610	T	79.6	Confident	83.2	Confident	64 Å²	64	53.7 Å²	53.7	39%	0.393	31%	0.314	S	S	.	.			trans	-73.5	133.4	-179.9	52.6	0	0	0	0	111.6	Y199 G200 D201 S615	Y199-T610 CarbonylContact C-O 3.6Å; Y199-T610 WeakPolarHBondContact CA-O 3.41Å; G200-T610 PolarHBondContact N-O 3.24Å; D201-T610 VanDerWaalsContact CG-N 3.33Å; D201-T610 PolarHBondContact OD1-N 2.66Å; D201-T610 PolarHBondContact OD1-OG1 3.44Å; D201-T610 WeakPolarHBondContact OD2-CB 3.24Å; D201-T610 PolarHBondContact OD2-N 2.78Å; D201-T610 PolarHBondContact OD2-OG1 3.07Å; T610-S615 WeakPolarHBondContact CB-OG 3.46Å; T610-S615 PolarHBondContact O-OG 3.01Å; T610-S615 PolarHBondContact OG1-OG 3.13Å
611	T	77.2	Confident	83.6	Confident	45 Å²	45	57.7 Å²	57.7	28%	0.276	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-61.8	145.6	175.5	60.8	0	0	0	0	111.1	E606 A613 S614 S615	E606-T611 HydrophobicContact CG-CG2 4.28Å; T611-A613 PolarHBondContact O-N 3.49Å; T611-A613 VanDerWaalsContact O-N 3.1Å; T611-S614 WeakPolarHBondContact O-CA 3.2Å; T611-S614 WeakPolarHBondContact O-CB 3.31Å; T611-S614 PolarHBondContact O-N 3.39Å; T611-S614 PolarHBondContact OG1-OG 2.99Å; T611-S615 PolarHBondContact O-N 3.42Å; T611-S615 VanDerWaalsContact O-N 3.07Å; T611-S615 PolarHBondContact O-OG 2.97Å
612	L	70.2	Confident	83.6	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.084	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.3	-175.5	-165.2	79.5	0	0	0	113.6	G197 K198 S614 S615 I632 H640 T647	G197-L612 WeakPolarHBondContact O-CD2 3.44Å; K198-L612 PolarHBondContact O-N 3.27Å; L612-S614 PolarHBondContact O-N 3.29Å; L612-S615 PolarHBondContact O-N 2.93Å; L612-I632 HydrophobicContact CD1-CD1 3.28Å; L612-I632 HydrophobicContact CG-CD1 3.91Å; L612-H640 HydrophobicContact CD2-CB 4.14Å; L612-H640 WeakPolarHBondContact CD2-ND1 3.26Å; L612-H640 HydrophobicContact CG-CB 4.16Å; L612-H640 PolarHBondContact O-CD2 3.28Å; L612-T647 VanDerWaalsContact CD2-OG1 3.26Å; L612-T647 WeakPolarHBondContact CD2-OG1 3.4Å
613	A	70.8	Confident	83.8	Confident	45 Å²	45	57.2 Å²	57.2	37%	0.372	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.8	178.2	0	0	0	0	0	112.7	T611 K630 S642	T611-A613 PolarHBondContact O-N 3.49Å; T611-A613 VanDerWaalsContact O-N 3.1Å; A613-K630 PolarHBondContact O-NZ 2.97Å; A613-S642 PolarHBondContact O-OG 3.14Å
614	S	74.9	Confident	84.2	Confident	81 Å²	81	55.9 Å²	55.9	57%	0.566	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-22.7	-178.3	-58	0	0	0	0	112.7	T611 L612	T611-S614 WeakPolarHBondContact O-CA 3.2Å; T611-S614 WeakPolarHBondContact O-CB 3.31Å; T611-S614 PolarHBondContact O-N 3.39Å; T611-S614 PolarHBondContact OG1-OG 2.99Å; L612-S614 PolarHBondContact O-N 3.29Å
615	S	78.2	Confident	84.6	Confident	9 Å²	9	54.7 Å²	54.7	6%	0.063	31%	0.312	C	S	.	.			trans	-85.9	158.8	-175.1	-44.2	0	0	0	0	114.3	G200 T610 T611 L612 K630	G200-S615 WeakPolarHBondContact CA-OG 3.48Å; T610-S615 WeakPolarHBondContact CB-OG 3.46Å; T610-S615 PolarHBondContact O-OG 3.01Å; T610-S615 PolarHBondContact OG1-OG 3.13Å; T611-S615 PolarHBondContact O-N 3.42Å; T611-S615 VanDerWaalsContact O-N 3.07Å; T611-S615 PolarHBondContact O-OG 2.97Å; L612-S615 PolarHBondContact O-N 2.93Å; S615-K630 WeakPolarHBondContact O-CD 3.37Å
616	G	81.1	Confident	84.8	Confident	37 Å²	37	60 Å²	60	38%	0.381	34%	0.336	S	S	.	.	S	Bend	trans	89.4	166.4	170.4	0	0	0	0	0	115.1	F631	G616-F631 CarbonylContact C-O 3.57Å; G616-F631 WeakPolarHBondContact CA-O 3.29Å
617	K	89.6	Confident	85.2	Confident	165 Å²	165	62.8 Å²	62.8	72%	0.717	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.3	-178	-64.4	-179.9	-178.4	177.7	0	110.6	L619 K630 F631	K617-L619 PolarHBondContact O-N 3.33Å; K617-K630 CarbonylContact O-C 3.54Å; K617-K630 WeakPolarHBondContact O-CA 3.37Å; K617-F631 PolarHBondContact N-O 3.12Å; K617-F631 PolarHBondContact O-N 3.08Å
618	P	91.4	Very high	85.9	Confident	89 Å²	89	62.4 Å²	62.4	58%	0.578	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.7	126.8	173.7	-26.8	35.5	0	0	0	111.8	Y628	P618-Y628 HydrophobicContact CB-CD1 3.97Å; P618-Y628 HydrophobicContact CB-CG 3.89Å
619	L	92.9	Very high	86.4	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.194	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-50	-179.1	-170.2	75.4	0	0	0	113.7	K617 L629 F631 L639 I656 P658 L672	K617-L619 PolarHBondContact O-N 3.33Å; L619-L629 PolarHBondContact N-O 3.08Å; L619-F631 HydrophobicContact CB-CB 3.62Å; L619-F631 HydrophobicContact CD2-CB 3.83Å; L619-F631 HydrophobicContact CD2-CD2 4.08Å; L619-F631 HydrophobicContact CD2-CG 3.91Å; L619-F631 HydrophobicContact CG-CB 4.19Å; L619-L639 HydrophobicContact CB-CD2 4.13Å; L619-L639 HydrophobicContact CD2-CD2 4.14Å; L619-I656 HydrophobicContact CD2-CG2 3.79Å; L619-P658 HydrophobicContact CD1-CG 4.33Å; L619-P658 HydrophobicContact CG-CG 4.44Å; L619-P658 WeakPolarHBondContact O-CG 3.49Å; L619-L672 HydrophobicContact CD2-CD2 4.05Å; L619-L672 HydrophobicContact CG-CD2 4.41Å
620	S	93.2	Very high	86.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	170.4	-178.4	62.3	0	0	0	0	110.8	Y628 L629 E670	S620-Y628 CarbonylContact O-C 3.49Å; S620-Y628 WeakPolarHBondContact O-CA 3.43Å; S620-L629 WeakPolarHBondContact O-CB 3.47Å; S620-L629 PolarHBondContact O-N 3.4Å; S620-E670 WeakPolarHBondContact CA-OE2 3.46Å
621	R	94	Very high	87.3	Confident	101 Å²	101	59.3 Å²	59.3	38%	0.381	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.3	179.3	-63.6	-175.1	179.6	-141.6	1.4	113.4	R627 Y628 E670	R621-R627 WeakPolarHBondContact CA-O 3.29Å; R621-Y628 HydrophobicContact CG-CD1 4.27Å; R621-Y628 HydrophobicContact CG-CE1 4.22Å; R621-Y628 PolarHBondContact NH2-OH 2.89Å; R621-E670 HydrophobicContact CB-CG 4.15Å; R621-E670 VanDerWaalsContact CD-OE1 3.31Å; R621-E670 WeakPolarHBondContact CD-OE1 3.46Å; R621-E670 WeakPolarHBondContact CG-OE1 3.44Å; R621-E670 WeakPolarHBondContact CG-OE2 3.41Å; R621-E670 PolarHBondContact N-OE2 2.85Å; R621-E670 IonicContact NE-OE1 2.75Å; R621-E670 PolarHBondContact O-N 3.14Å
622	C	92.4	Very high	87.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.			trans	-69.3	131	171.9	-176.8	0	0	0	0	110	K624 H626 R627 L629 F669	C622-K624 VanDerWaalsContact C-N 3.29Å; C622-K624 PolarHBondContact O-N 3.15Å; C622-K624 PolarHBondContact SG-N 3.38Å; C622-K624 VanDerWaalsContact SG-N 3.45Å; C622-H626 WeakPolarHBondContact O-CA 3.42Å; C622-H626 PolarHBondContact O-N 2.77Å; C622-R627 WeakPolarHBondContact CB-O 3.39Å; C622-R627 PolarHBondContact N-O 3.24Å; C622-L629 HydrophobicContact CB-CD2 3.73Å; C622-L629 HydrophobicContact CB-CG 4.07Å; C622-F669 HydrophobicContact CB-CE1 4.24Å; C622-F669 VanDerWaalsContact SG-CZ 3.57Å
623	G	92.9	Very high	88.4	Confident	8 Å²	8	61.5 Å²	61.5	8%	0.082	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.6	176.3	0	0	0	0	0	114.1	H626 D667 F669	G623-H626 PolarHBondContact O-CE1 3.47Å; G623-D667 CarbonylContact C-O 3.59Å; G623-D667 VanDerWaalsContact CA-O 3.24Å; G623-D667 WeakPolarHBondContact CA-O 3.39Å; G623-F669 VanDerWaalsContact N-CD2 3.26Å; G623-F669 VanDerWaalsContact N-CE2 3.32Å; G623-F669 VanDerWaalsContact N-CG 3.29Å
624	K	92.3	Very high	88.7	Confident	96 Å²	96	60.8 Å²	60.8	42%	0.417	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-52.1	179.5	-63.4	178.5	172.7	-179.9	0	113.1	C622 E646 F669	C622-K624 VanDerWaalsContact C-N 3.29Å; C622-K624 PolarHBondContact O-N 3.15Å; C622-K624 PolarHBondContact SG-N 3.38Å; C622-K624 VanDerWaalsContact SG-N 3.45Å; K624-E646 IonicContact NZ-OE1 3Å; K624-E646 PolarHBondContact NZ-OE1 3.47Å; K624-E646 IonicContact NZ-OE2 2.95Å; K624-E646 PolarHBondContact NZ-OE2 2.88Å; K624-F669 HydrophobicContact CG-CE2 4.14Å; K624-F669 HydrophobicContact CG-CZ 4.26Å
625	C	92.3	Very high	88.5	Confident	33 Å²	33	64.1 Å²	64.1	22%	0.223	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-3.4	-174.1	71.8	0	0	0	0	114.3	R627 C641 I643	C625-R627 PolarHBondContact O-N 3.08Å; C625-C641 PolarHBondContact SG-SG 3.41Å; C625-I643 HydrophobicContact CB-CG2 4.24Å
626	H	91.9	Very high	88.6	Confident	110 Å²	110	66 Å²	66	51%	0.509	32%	0.315	S	S	.	.			trans	62.1	6.8	179.5	-50.7	-49.4	0	0	0	116.4	C622 G623	C622-H626 WeakPolarHBondContact O-CA 3.42Å; C622-H626 PolarHBondContact O-N 2.77Å; G623-H626 PolarHBondContact O-CE1 3.47Å
627	R	91	Very high	88.8	Confident	170 Å²	170	65.1 Å²	65.1	64%	0.642	30%	0.302	S	S	*	.	S	Bend	trans	-85.1	163.4	171.6	-58.1	-59	-174.5	171.7	-0.7	111.6	R621 C622 C625 L629 I643	R621-R627 WeakPolarHBondContact CA-O 3.29Å; C622-R627 WeakPolarHBondContact CB-O 3.39Å; C622-R627 PolarHBondContact N-O 3.24Å; C625-R627 PolarHBondContact O-N 3.08Å; R627-L629 PolarHBondContact O-N 2.87Å; R627-I643 HydrophobicContact CB-CG1 4.32Å; R627-I643 HydrophobicContact CG-CG1 4.04Å
628	Y	92.5	Very high	88.8	Confident	121 Å²	121	57.9 Å²	57.9	48%	0.475	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.4	178.2	-76.7	-77.4	0	0	0	111.8	P618 S620 R621	P618-Y628 HydrophobicContact CB-CD1 3.97Å; P618-Y628 HydrophobicContact CB-CG 3.89Å; S620-Y628 CarbonylContact O-C 3.49Å; S620-Y628 WeakPolarHBondContact O-CA 3.43Å; R621-Y628 HydrophobicContact CG-CD1 4.27Å; R621-Y628 HydrophobicContact CG-CE1 4.22Å; R621-Y628 PolarHBondContact NH2-OH 2.89Å
629	L	91.8	Very high	88.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.9	160.2	-60.4	175.9	0	0	0	108.5	L619 S620 C622 R627 L639 H640 C641 Y648 F669 P687	L619-L629 PolarHBondContact N-O 3.08Å; S620-L629 WeakPolarHBondContact O-CB 3.47Å; S620-L629 PolarHBondContact O-N 3.4Å; C622-L629 HydrophobicContact CB-CD2 3.73Å; C622-L629 HydrophobicContact CB-CG 4.07Å; R627-L629 PolarHBondContact O-N 2.87Å; L629-L639 HydrophobicContact CB-CB 4.21Å; L629-L639 HydrophobicContact CB-CD1 4.43Å; L629-L639 HydrophobicContact CB-CD2 3.88Å; L629-L639 HydrophobicContact CB-CG 4.39Å; L629-L639 HydrophobicContact CD1-CB 4.38Å; L629-L639 HydrophobicContact CD1-CD1 3.97Å; L629-H640 CarbonylContact C-O 3.48Å; L629-H640 WeakPolarHBondContact CA-O 3.5Å; L629-C641 HydrophobicContact CD2-CB 3.4Å; L629-C641 VanDerWaalsContact CD2-CB 3.4Å; L629-Y648 HydrophobicContact CD1-CD2 4.2Å; L629-Y648 HydrophobicContact CD1-CE2 4.37Å; L629-Y648 HydrophobicContact CD2-CD2 4.07Å; L629-Y648 HydrophobicContact CD2-CE2 3.75Å; L629-F669 HydrophobicContact CD1-CD1 3.94Å; L629-F669 HydrophobicContact CD1-CE1 3.97Å; L629-P687 HydrophobicContact CD1-CG 4.36Å
630	K	90.6	Very high	88.6	Confident	52 Å²	52	52 Å²	52	23%	0.226	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.9	173.5	-62.8	-171.6	-177.1	-178	0	109.4	A613 S615 K617 L639 H640	A613-K630 PolarHBondContact O-NZ 2.97Å; S615-K630 WeakPolarHBondContact O-CD 3.37Å; K617-K630 CarbonylContact O-C 3.54Å; K617-K630 WeakPolarHBondContact O-CA 3.37Å; K630-L639 CarbonylContact O-C 3.45Å; K630-L639 WeakPolarHBondContact O-CA 3.48Å; K630-H640 PolarHBondContact N-O 3.08Å; K630-H640 PolarHBondContact O-N 2.61Å
631	F	91.8	Very high	88.4	Confident	31 Å²	31	52 Å²	52	14%	0.136	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122	171.6	176.3	-118.9	0	0	0	110.5	G616 K617 L619 D633 Q637 L639 L650 I656	G616-F631 CarbonylContact C-O 3.57Å; G616-F631 WeakPolarHBondContact CA-O 3.29Å; K617-F631 PolarHBondContact N-O 3.12Å; K617-F631 PolarHBondContact O-N 3.08Å; L619-F631 HydrophobicContact CB-CB 3.62Å; L619-F631 HydrophobicContact CD2-CB 3.83Å; L619-F631 HydrophobicContact CD2-CD2 4.08Å; L619-F631 HydrophobicContact CD2-CG 3.91Å; L619-F631 HydrophobicContact CG-CB 4.19Å; F631-D633 HydrophobicContact CD1-CB 4.4Å; F631-D633 HydrophobicContact CE1-CB 3.74Å; F631-D633 HydrophobicContact CZ-CB 4.09Å; F631-D633 WeakPolarHBondContact CZ-OD1 3.48Å; F631-Q637 HydrophobicContact CE2-CB 4.21Å; F631-Q637 HydrophobicContact CE2-CG 4.44Å; F631-Q637 HydrophobicContact CZ-CG 4.31Å; F631-L639 HydrophobicContact CB-CD2 3.87Å; F631-L639 HydrophobicContact CD2-CD2 4.39Å; F631-L650 HydrophobicContact CD2-CD1 3.63Å; F631-L650 HydrophobicContact CE2-CD1 3.51Å; F631-I656 HydrophobicContact CE2-CB 4.22Å; F631-I656 HydrophobicContact CE2-CG1 4.21Å; F631-I656 HydrophobicContact CZ-CB 4.4Å; F631-I656 HydrophobicContact CZ-CG1 4.5Å
632	I	87.5	Confident	87.8	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.7	179	-61.3	174.2	0	0	0	106.5	G200 L612 S634 Q637 R638 H640	G200-I632 WeakPolarHBondContact O-CG2 3.44Å; L612-I632 HydrophobicContact CD1-CD1 3.28Å; L612-I632 HydrophobicContact CG-CD1 3.91Å; I632-S634 WeakPolarHBondContact CG2-OG 3.41Å; I632-Q637 WeakPolarHBondContact O-CA 3.39Å; I632-R638 HydrophobicContact CB-CG 3.93Å; I632-R638 HydrophobicContact CD1-CG 4.32Å; I632-R638 HydrophobicContact CG2-CG 4.31Å; I632-R638 PolarHBondContact N-O 3.41Å; I632-R638 PolarHBondContact O-N 3Å; I632-R638 VanDerWaalsContact O-N 3.08Å; I632-H640 HydrophobicContact CD1-CB 4.04Å
633	D	82.8	Confident	87.6	Confident	102 Å²	102	55.1 Å²	55.1	55%	0.545	26%	0.26	S	S	.	.			trans	-84.1	-14.4	-172.3	-162.5	27.1	0	0	0	113	F631 Q637	F631-D633 HydrophobicContact CD1-CB 4.4Å; F631-D633 HydrophobicContact CE1-CB 3.74Å; F631-D633 HydrophobicContact CZ-CB 4.09Å; F631-D633 WeakPolarHBondContact CZ-OD1 3.48Å; D633-Q637 WeakPolarHBondContact O-CG 3.23Å; D633-Q637 PolarHBondContact OD1-NE2 3.38Å
634	S	76.8	Confident	87.3	Confident	31 Å²	31	56.6 Å²	56.6	22%	0.217	27%	0.269	C	S	.	.	S	Bend	trans	-59.9	143.5	172.4	73.8	0	0	0	0	110.1	G200 I632 P636 Q637 R638	G200-S634 WeakPolarHBondContact O-CB 3.5Å; G200-S634 PolarHBondContact O-OG 3.43Å; I632-S634 WeakPolarHBondContact CG2-OG 3.41Å; S634-P636 CarbonylContact O-C 3.23Å; S634-Q637 WeakPolarHBondContact O-CA 3.24Å; S634-Q637 PolarHBondContact O-N 2.87Å; S634-R638 PolarHBondContact O-NH1 2.75Å; S634-R638 VanDerWaalsContact O-NH1 3.16Å; S634-R638 PolarHBondContact OG-NH1 3.24Å; S634-R638 PolarHBondContact OG-NH2 2.82Å
635	R	71.7	Confident	86.9	Confident	150 Å²	150	57.9 Å²	57.9	57%	0.566	28%	0.28	S	S	*	.	S	Bend	trans	-76	137.4	-178.9	-67.9	-172.5	-178.8	-173.7	0.6	111	N203 N653	N203-R635 VanDerWaalsContact CA-O 3.29Å; N203-R635 WeakPolarHBondContact CA-O 3.24Å; N203-R635 WeakPolarHBondContact CB-O 3.25Å; N203-R635 PolarHBondContact OD1-O 3.48Å; N203-R635 VanDerWaalsContact OD1-O 3.1Å; R635-N653 PolarHBondContact NH1-OD1 2.99Å
636	P	79.2	Confident	86.6	Confident	48 Å²	48	59.1 Å²	59.1	31%	0.312	28%	0.282	S	S	.	.	S	Bend	cis	-71.3	133.7	-8.6	30.3	-33.5	0	0	0	111.9	S634 R638 Q652	S634-P636 CarbonylContact O-C 3.23Å; P636-R638 PolarHBondContact O-N 3.17Å; P636-R638 PolarHBondContact O-NH1 3.31Å; P636-Q652 VanDerWaalsContact CA-OE1 3.27Å
637	Q	85.4	Confident	86.3	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.093	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-58.1	136.6	178	-73.6	173.4	-40.4	0	0	110	F631 I632 D633 S634 L650 Q652	F631-Q637 HydrophobicContact CE2-CB 4.21Å; F631-Q637 HydrophobicContact CE2-CG 4.44Å; F631-Q637 HydrophobicContact CZ-CG 4.31Å; I632-Q637 WeakPolarHBondContact O-CA 3.39Å; D633-Q637 WeakPolarHBondContact O-CG 3.23Å; D633-Q637 PolarHBondContact OD1-NE2 3.38Å; S634-Q637 WeakPolarHBondContact O-CA 3.24Å; S634-Q637 PolarHBondContact O-N 2.87Å; Q637-L650 HydrophobicContact CB-CD1 4.44Å; Q637-Q652 PolarHBondContact O-NE2 3.31Å
638	R	89.7	Confident	86.2	Confident	13 Å²	13	48.8 Å²	48.8	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.3	-173.6	57.8	-156.4	178.1	-79.5	5	112.7	Y199 G200 I632 S634 P636 T647	Y199-R638 PolarHBondContact O-NH2 3Å; G200-R638 PolarHBondContact O-NH2 3.36Å; G200-R638 VanDerWaalsContact O-NH2 3.16Å; I632-R638 HydrophobicContact CB-CG 3.93Å; I632-R638 HydrophobicContact CD1-CG 4.32Å; I632-R638 HydrophobicContact CG2-CG 4.31Å; I632-R638 PolarHBondContact N-O 3.41Å; I632-R638 PolarHBondContact O-N 3Å; I632-R638 VanDerWaalsContact O-N 3.08Å; S634-R638 PolarHBondContact O-NH1 2.75Å; S634-R638 VanDerWaalsContact O-NH1 3.16Å; S634-R638 PolarHBondContact OG-NH1 3.24Å; S634-R638 PolarHBondContact OG-NH2 2.82Å; P636-R638 PolarHBondContact O-N 3.17Å; P636-R638 PolarHBondContact O-NH1 3.31Å; R638-T647 HydrophobicContact CB-CG2 4.04Å; R638-T647 HydrophobicContact CG-CG2 4.22Å
639	L	91.3	Very high	86.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.5	166.8	-76.8	169.5	0	0	0	109.9	L619 L629 K630 F631 T647 Y648 L650 L672 P687	L619-L639 HydrophobicContact CB-CD2 4.13Å; L619-L639 HydrophobicContact CD2-CD2 4.14Å; L629-L639 HydrophobicContact CB-CB 4.21Å; L629-L639 HydrophobicContact CB-CD1 4.43Å; L629-L639 HydrophobicContact CB-CD2 3.88Å; L629-L639 HydrophobicContact CB-CG 4.39Å; L629-L639 HydrophobicContact CD1-CB 4.38Å; L629-L639 HydrophobicContact CD1-CD1 3.97Å; K630-L639 CarbonylContact O-C 3.45Å; K630-L639 WeakPolarHBondContact O-CA 3.48Å; F631-L639 HydrophobicContact CB-CD2 3.87Å; F631-L639 HydrophobicContact CD2-CD2 4.39Å; L639-T647 CarbonylContact O-C 3.44Å; L639-T647 WeakPolarHBondContact O-CA 3.38Å; L639-Y648 HydrophobicContact CB-CD2 4.43Å; L639-Y648 PolarHBondContact N-O 3.21Å; L639-Y648 PolarHBondContact O-N 2.95Å; L639-L650 HydrophobicContact CD1-CD2 3.85Å; L639-L650 HydrophobicContact CG-CD1 4.08Å; L639-L650 HydrophobicContact CG-CD2 4.02Å; L639-L650 HydrophobicContact CG-CG 4.38Å; L639-L672 HydrophobicContact CD1-CD1 3.4Å; L639-L672 VanDerWaalsContact CD1-CD1 3.4Å; L639-P687 HydrophobicContact CD1-CB 3.88Å; L639-P687 HydrophobicContact CD1-CG 4.26Å
640	H	89.1	Confident	86	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.6	175.6	-179.6	65	0	0	0	111.3	L612 L629 K630 I632 N645 E646 T647	L612-H640 HydrophobicContact CD2-CB 4.14Å; L612-H640 WeakPolarHBondContact CD2-ND1 3.26Å; L612-H640 HydrophobicContact CG-CB 4.16Å; L612-H640 PolarHBondContact O-CD2 3.28Å; L629-H640 CarbonylContact C-O 3.48Å; L629-H640 WeakPolarHBondContact CA-O 3.5Å; K630-H640 PolarHBondContact N-O 3.08Å; K630-H640 PolarHBondContact O-N 2.61Å; I632-H640 HydrophobicContact CD1-CB 4.04Å; H640-N645 PolarHBondContact CE1-OD1 2.81Å; H640-E646 PolarHBondContact ND1-O 3.02Å; H640-T647 PolarHBondContact ND1-OG1 3.09Å
641	C	89.4	Confident	85.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.1	170.9	-169.7	0	0	0	0	109.7	C625 L629 I643 C644 N645 E646 Y648	C625-C641 PolarHBondContact SG-SG 3.41Å; L629-C641 HydrophobicContact CD2-CB 3.4Å; L629-C641 VanDerWaalsContact CD2-CB 3.4Å; C641-I643 PolarHBondContact O-N 3.31Å; C641-C644 HydrophobicContact CB-CB 4.02Å; C641-C644 PolarHBondContact SG-N 3.36Å; C641-C644 VanDerWaalsContact SG-SG 3.64Å; C641-N645 WeakPolarHBondContact O-CA 3.29Å; C641-N645 PolarHBondContact O-N 3.28Å; C641-E646 PolarHBondContact N-O 3.45Å; C641-E646 PolarHBondContact O-N 3.09Å; C641-Y648 HydrophobicContact CB-CE2 4.48Å
642	S	82.6	Confident	85.7	Confident	44 Å²	44	45.7 Å²	45.7	31%	0.308	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.5	179.7	-49	0	0	0	0	113.9	A613	A613-S642 PolarHBondContact O-OG 3.14Å
643	I	87.7	Confident	85.5	Confident	123 Å²	123	50 Å²	50	63%	0.631	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-46.6	-178.9	-58.3	-56	0	0	0	111.9	C625 R627 C641 N645	C625-I643 HydrophobicContact CB-CG2 4.24Å; R627-I643 HydrophobicContact CB-CG1 4.32Å; R627-I643 HydrophobicContact CG-CG1 4.04Å; C641-I643 PolarHBondContact O-N 3.31Å; I643-N645 PolarHBondContact O-N 3.29Å
644	C	86	Confident	85.7	Confident	39 Å²	39	46 Å²	46	26%	0.264	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13	174.9	-58.2	0	0	0	0	112.1	C641 E646	C641-C644 HydrophobicContact CB-CB 4.02Å; C641-C644 PolarHBondContact SG-N 3.36Å; C641-C644 VanDerWaalsContact SG-SG 3.64Å; C644-E646 HydrophobicContact CB-CB 4.26Å; C644-E646 HydrophobicContact CB-CG 4.23Å; C644-E646 PolarHBondContact O-N 3.49Å
645	N	83.8	Confident	86.3	Confident	122 Å²	122	48.7 Å²	48.7	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	40.9	-169.3	-161.9	28.1	0	0	0	113	H640 C641 I643	H640-N645 PolarHBondContact CE1-OD1 2.81Å; C641-N645 WeakPolarHBondContact O-CA 3.29Å; C641-N645 PolarHBondContact O-N 3.28Å; I643-N645 PolarHBondContact O-N 3.29Å
646	E	85.2	Confident	87.3	Confident	59 Å²	59	42.4 Å²	42.4	28%	0.276	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.1	-178	-76.9	-175.6	-161.7	0	0	111.3	K624 H640 C641 C644 Y648	K624-E646 IonicContact NZ-OE1 3Å; K624-E646 PolarHBondContact NZ-OE1 3.47Å; K624-E646 IonicContact NZ-OE2 2.95Å; K624-E646 PolarHBondContact NZ-OE2 2.88Å; H640-E646 PolarHBondContact ND1-O 3.02Å; C641-E646 PolarHBondContact N-O 3.45Å; C641-E646 PolarHBondContact O-N 3.09Å; C644-E646 HydrophobicContact CB-CB 4.26Å; C644-E646 HydrophobicContact CB-CG 4.23Å; C644-E646 PolarHBondContact O-N 3.49Å; E646-Y648 HydrophobicContact CB-CE1 4.37Å; E646-Y648 HydrophobicContact CB-CE2 4.38Å; E646-Y648 PolarHBondContact OE2-OH 3.01Å
647	T	85.6	Confident	87.9	Confident	62 Å²	62	45.1 Å²	45.1	38%	0.38	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.4	-180	-56.9	0	0	0	0	110.4	L612 R638 L639 H640	L612-T647 VanDerWaalsContact CD2-OG1 3.26Å; L612-T647 WeakPolarHBondContact CD2-OG1 3.4Å; R638-T647 HydrophobicContact CB-CG2 4.04Å; R638-T647 HydrophobicContact CG-CG2 4.22Å; L639-T647 CarbonylContact O-C 3.44Å; L639-T647 WeakPolarHBondContact O-CA 3.38Å; H640-T647 PolarHBondContact ND1-OG1 3.09Å
648	Y	90.9	Very high	88.3	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132	-179.2	-52.3	-69	0	0	0	110.3	L629 L639 C641 E646 F669 Y688 S691	L629-Y648 HydrophobicContact CD1-CD2 4.2Å; L629-Y648 HydrophobicContact CD1-CE2 4.37Å; L629-Y648 HydrophobicContact CD2-CD2 4.07Å; L629-Y648 HydrophobicContact CD2-CE2 3.75Å; L639-Y648 HydrophobicContact CB-CD2 4.43Å; L639-Y648 PolarHBondContact N-O 3.21Å; L639-Y648 PolarHBondContact O-N 2.95Å; C641-Y648 HydrophobicContact CB-CE2 4.48Å; E646-Y648 HydrophobicContact CB-CE1 4.37Å; E646-Y648 HydrophobicContact CB-CE2 4.38Å; E646-Y648 PolarHBondContact OE2-OH 3.01Å; Y648-F669 HydrophobicContact CD2-CE1 4.3Å; Y648-F669 HydrophobicContact CE1-CE1 4.47Å; Y648-F669 HydrophobicContact CE1-CZ 4.37Å; Y648-F669 AromaticContact CE2-CE1 3.66Å; Y648-F669 HydrophobicContact CE2-CE1 3.66Å; Y648-F669 HydrophobicContact CE2-CZ 4.1Å; Y648-F669 AromaticContact CZ-CE1 3.76Å; Y648-F669 AromaticContact CZ-CZ 3.72Å; Y648-F669 WeakPolarHBondContact OH-CZ 3.48Å; Y648-Y688 HydrophobicContact CD1-CD2 4.21Å; Y648-Y688 AromaticContact CE1-CD2 3.53Å; Y648-Y688 HydrophobicContact CE1-CD2 3.53Å; Y648-Y688 HydrophobicContact CE1-CE2 4.07Å; Y648-S691 WeakPolarHBondContact CA-OG 3.24Å
649	T	89.3	Confident	88.4	Confident	69 Å²	69	47 Å²	47	42%	0.423	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.3	177.6	-51.1	0	0	0	0	110.1	F690 S691 L701	T649-F690 HydrophobicContact CG2-CE1 4.32Å; T649-F690 VanDerWaalsContact O-CD1 3.25Å; T649-F690 WeakPolarHBondContact O-CD1 3.48Å; T649-S691 PolarHBondContact N-OG 2.93Å; T649-L701 HydrophobicContact CG2-CD2 3.85Å
650	L	89.9	Confident	88.2	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.285	C	S	.	.			trans	-116.8	157.8	172.7	-60.4	176.3	0	0	0	111.3	F631 Q637 L639 Q652 I656 L672 F685	F631-L650 HydrophobicContact CD2-CD1 3.63Å; F631-L650 HydrophobicContact CE2-CD1 3.51Å; Q637-L650 HydrophobicContact CB-CD1 4.44Å; L639-L650 HydrophobicContact CD1-CD2 3.85Å; L639-L650 HydrophobicContact CG-CD1 4.08Å; L639-L650 HydrophobicContact CG-CD2 4.02Å; L639-L650 HydrophobicContact CG-CG 4.38Å; L650-Q652 PolarHBondContact O-NE2 3.09Å; L650-I656 HydrophobicContact CB-CD1 4.45Å; L650-I656 HydrophobicContact CD1-CG1 4.22Å; L650-I656 HydrophobicContact CD1-CG2 4.49Å; L650-L672 HydrophobicContact CD2-CD1 4.21Å; L650-F685 HydrophobicContact CD2-CE2 3.78Å; L650-F685 HydrophobicContact CD2-CZ 3.84Å
651	P	89.3	Confident	87.9	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.084	32%	0.321	C	S	.	.			trans	-57.2	139.3	163.3	-19.6	31.6	0	0	0	110.8	I656 Y674 M683 F685 F690	P651-I656 HydrophobicContact CG-CD1 4.48Å; P651-Y674 HydrophobicContact CB-CD1 4.09Å; P651-Y674 HydrophobicContact CB-CD2 3.54Å; P651-Y674 HydrophobicContact CB-CE1 4.33Å; P651-Y674 HydrophobicContact CB-CE2 3.77Å; P651-Y674 HydrophobicContact CB-CG 3.66Å; P651-Y674 HydrophobicContact CG-CD2 4.29Å; P651-Y674 HydrophobicContact CG-CG 4.08Å; P651-M683 HydrophobicContact CB-CE 4.06Å; P651-M683 HydrophobicContact CG-CE 3.26Å; P651-F685 VanDerWaalsContact CD-CZ 3.44Å; P651-F685 HydrophobicContact CG-CD1 4.3Å; P651-F685 HydrophobicContact CG-CE1 3.9Å; P651-F685 HydrophobicContact CG-CE2 4.41Å; P651-F685 HydrophobicContact CG-CZ 3.97Å; P651-F690 HydrophobicContact CB-CZ 4.3Å; P651-F690 HydrophobicContact CG-CE1 4.23Å; P651-F690 HydrophobicContact CG-CE2 3.81Å; P651-F690 HydrophobicContact CG-CZ 3.6Å
652	Q	86.2	Confident	88	Confident	55 Å²	55	62.3 Å²	62.3	26%	0.257	34%	0.339	S	S	.	.	S	Bend	trans	-102.8	160.3	-175.4	-55.9	-61.3	-51.5	0	0	111.6	P636 Q637 L650 Y674	P636-Q652 VanDerWaalsContact CA-OE1 3.27Å; Q637-Q652 PolarHBondContact O-NE2 3.31Å; L650-Q652 PolarHBondContact O-NE2 3.09Å; Q652-Y674 PolarHBondContact O-OH 2.87Å
653	N	84.2	Confident	88.5	Confident	95 Å²	95	65 Å²	65	51%	0.508	35%	0.345	S	S	.	.	S	Bend	trans	63.9	41.6	175.4	-53.3	-44.4	0	0	0	114.4	R635 Y674	R635-N653 PolarHBondContact NH1-OD1 2.99Å; N653-Y674 PolarHBondContact O-OH 3.14Å
654	G	86.4	Confident	88.8	Confident	17 Å²	17	59.3 Å²	59.3	18%	0.175	32%	0.316	C	S	.	.	S	Bend	trans	-161.7	-170.8	171.8	0	0	0	0	0	110.8	Y674 T675	G654-Y674 VanDerWaalsContact CA-CE2 3.46Å; G654-T675 WeakPolarHBondContact CA-O 3.42Å
655	T	89.6	Confident	89.2	Confident	88 Å²	88	59 Å²	59	54%	0.54	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.7	176.8	61.3	0	0	0	0	110.6	Y674 T675	T655-Y674 WeakPolarHBondContact O-CA 3.4Å; T655-T675 PolarHBondContact N-O 3.08Å; T655-T675 PolarHBondContact O-N 3.1Å; T655-T675 WeakPolarHBondContact OG1-CG2 3.4Å
656	I	92.6	Very high	89.7	Confident	18 Å²	18	56.4 Å²	56.4	9%	0.092	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.2	177.4	-54	-68.8	0	0	0	108.1	L619 F631 L650 P651 L672 C673 Y674 F685	L619-I656 HydrophobicContact CD2-CG2 3.79Å; F631-I656 HydrophobicContact CE2-CB 4.22Å; F631-I656 HydrophobicContact CE2-CG1 4.21Å; F631-I656 HydrophobicContact CZ-CB 4.4Å; F631-I656 HydrophobicContact CZ-CG1 4.5Å; L650-I656 HydrophobicContact CB-CD1 4.45Å; L650-I656 HydrophobicContact CD1-CG1 4.22Å; L650-I656 HydrophobicContact CD1-CG2 4.49Å; P651-I656 HydrophobicContact CG-CD1 4.48Å; I656-L672 HydrophobicContact CG2-CB 4.4Å; I656-L672 HydrophobicContact CG2-CD1 4.28Å; I656-L672 HydrophobicContact CG2-CD2 4.46Å; I656-C673 WeakPolarHBondContact CA-O 3.49Å; I656-Y674 HydrophobicContact CD1-CD2 3.69Å; I656-Y674 HydrophobicContact CD1-CG 4.3Å; I656-F685 HydrophobicContact CD1-CE1 4.25Å; I656-F685 HydrophobicContact CD1-CZ 4.12Å
657	R	92.3	Very high	90	Very high	104 Å²	104	54.8 Å²	54.8	39%	0.392	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.5	175.5	62.3	-178.9	177.9	139	1.7	111.5	Y659 L672 C673 S737 N738	R657-Y659 PolarHBondContact O-N 3.31Å; R657-L672 WeakPolarHBondContact O-CA 3.44Å; R657-C673 HydrophobicContact CG-CB 3.99Å; R657-C673 PolarHBondContact N-O 3.43Å; R657-C673 PolarHBondContact O-N 2.86Å; R657-S737 PolarHBondContact NH2-O 3.07Å; R657-N738 PolarHBondContact NH2-OD1 3.43Å
658	P	93.4	Very high	90.4	Very high	66 Å²	66	57.2 Å²	57.2	43%	0.429	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	136.1	168.6	-24.8	36.3	0	0	0	111.4	L619	L619-P658 HydrophobicContact CD1-CG 4.33Å; L619-P658 HydrophobicContact CG-CG 4.44Å; L619-P658 WeakPolarHBondContact O-CG 3.49Å
659	Y	91.8	Very high	90.7	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	101	173.5	176.2	-97.2	0	0	0	109.3	R657 E662 L671 C673 V684 Q714 D736	R657-Y659 PolarHBondContact O-N 3.31Å; Y659-E662 HydrophobicContact CD1-CB 4.36Å; Y659-E662 HydrophobicContact CE1-CB 4.46Å; Y659-E662 HydrophobicContact CE1-CG 4.29Å; Y659-L671 HydrophobicContact CD1-CB 4.04Å; Y659-L671 HydrophobicContact CD1-CD1 4.31Å; Y659-L671 PolarHBondContact N-O 3.43Å; Y659-C673 HydrophobicContact CD2-CB 4.27Å; Y659-V684 HydrophobicContact CD1-CG1 3.54Å; Y659-V684 HydrophobicContact CD1-CG2 4.46Å; Y659-V684 HydrophobicContact CD2-CB 4.46Å; Y659-V684 HydrophobicContact CD2-CG1 4.05Å; Y659-V684 HydrophobicContact CD2-CG2 3.53Å; Y659-V684 HydrophobicContact CE1-CG1 3.92Å; Y659-V684 HydrophobicContact CE1-CG2 4.49Å; Y659-V684 HydrophobicContact CE2-CG1 4.36Å; Y659-V684 HydrophobicContact CE2-CG2 3.54Å; Y659-V684 HydrophobicContact CG-CB 4.48Å; Y659-V684 HydrophobicContact CG-CG1 3.62Å; Y659-V684 HydrophobicContact CG-CG2 4.02Å; Y659-Q714 HydrophobicContact CE1-CG 4.04Å; Y659-Q714 PolarHBondContact OH-NE2 2.89Å; Y659-Q714 PolarHBondContact OH-OE1 3.33Å; Y659-D736 PolarHBondContact OH-OD1 3.38Å; Y659-D736 PolarHBondContact OH-OD2 3.41Å; Y659-D736 VanDerWaalsContact OH-OD2 3.11Å
660	K	86.8	Confident	90.9	Very high	119 Å²	119	55.7 Å²	55.7	52%	0.517	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.6	-147.2	-176.9	-57.8	175.6	-178.2	165.8	0	110	E662 D736	K660-E662 HydrophobicContact CB-CG 4.1Å; K660-E662 HydrophobicContact CD-CG 4.33Å; K660-D736 IonicContact NZ-OD1 3.93Å; K660-D736 IonicContact NZ-OD2 2.57Å; K660-D736 PolarHBondContact NZ-OD2 3.38Å
661	T	83.9	Confident	91.2	Very high	125 Å²	125	55.7 Å²	55.7	77%	0.767	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	20.8	171.3	48.6	0	0	0	0	111.7
662	E	89.8	Confident	91.5	Very high	79 Å²	79	55 Å²	55	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.4	-174.8	-69.2	-64.2	158.7	0	0	111.6	Y659 K660 E670 L671	Y659-E662 HydrophobicContact CD1-CB 4.36Å; Y659-E662 HydrophobicContact CE1-CB 4.46Å; Y659-E662 HydrophobicContact CE1-CG 4.29Å; K660-E662 HydrophobicContact CB-CG 4.1Å; K660-E662 HydrophobicContact CD-CG 4.33Å; E662-E670 WeakPolarHBondContact O-CA 3.5Å; E662-L671 HydrophobicContact CB-CD1 4Å; E662-L671 HydrophobicContact CB-CG 4.35Å; E662-L671 PolarHBondContact O-N 3.37Å
663	K	94.3	Very high	91.8	Very high	101 Å²	101	52.5 Å²	52.5	44%	0.439	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.6	179.6	-63.6	178.2	-175.2	175.7	0	110.4	F669 E670	K663-F669 CarbonylContact C-O 3.59Å; K663-F669 VanDerWaalsContact CA-O 3.32Å; K663-F669 WeakPolarHBondContact CA-O 3.25Å; K663-E670 HydrophobicContact CG-CG 3.99Å
664	C	94.6	Very high	92.2	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.02	25%	0.249	C	C	.	.			trans	-61.6	126.8	170.2	178.1	0	0	0	0	109.4	L666 D667 K668 F669 L671 C686	C664-L666 PolarHBondContact O-N 3.32Å; C664-D667 WeakPolarHBondContact CB-OD1 3.3Å; C664-D667 VanDerWaalsContact SG-CG 3.56Å; C664-D667 PolarHBondContact SG-OD2 3.01Å; C664-K668 VanDerWaalsContact O-CA 3.24Å; C664-K668 WeakPolarHBondContact O-CA 3.41Å; C664-K668 PolarHBondContact O-N 2.71Å; C664-F669 PolarHBondContact N-O 2.96Å; C664-L671 HydrophobicContact CB-CD2 4.06Å; C664-C686 HydrophobicContact CB-CB 3.95Å
665	P	94.2	Very high	92.3	Very high	32 Å²	32	48.7 Å²	48.7	21%	0.208	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27	-177	26.5	-36.1	0	0	0	113	K668 T711 C712	P665-K668 PolarHBondContact O-NZ 2.9Å; P665-T711 WeakPolarHBondContact CB-OG1 3.41Å; P665-C712 HydrophobicContact CG-CB 3.95Å
666	L	92.5	Very high	92	Very high	69 Å²	69	48.8 Å²	48.8	36%	0.361	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-47.7	-176.7	-65.7	174.2	0	0	0	112.9	C664 P694 F695 H709	C664-L666 PolarHBondContact O-N 3.32Å; L666-P694 HydrophobicContact CD1-CB 4.34Å; L666-P694 HydrophobicContact CD1-CG 3.83Å; L666-F695 HydrophobicContact CD1-CE2 3.79Å; L666-F695 HydrophobicContact CD1-CZ 3.67Å; L666-H709 HydrophobicContact CD1-CB 4.39Å; L666-H709 VanDerWaalsContact CD2-CD2 3.4Å; L666-H709 WeakPolarHBondContact CD2-CD2 3.5Å; L666-H709 WeakPolarHBondContact CD2-NE2 3.11Å
667	D	92.5	Very high	91.2	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.134	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-5.1	-167.1	60	41.4	0	0	0	113.4	G623 C664 F669 C686 Y688 C689	G623-D667 CarbonylContact C-O 3.59Å; G623-D667 VanDerWaalsContact CA-O 3.24Å; G623-D667 WeakPolarHBondContact CA-O 3.39Å; C664-D667 WeakPolarHBondContact CB-OD1 3.3Å; C664-D667 VanDerWaalsContact SG-CG 3.56Å; C664-D667 PolarHBondContact SG-OD2 3.01Å; D667-F669 HydrophobicContact CB-CD2 3.91Å; D667-F669 HydrophobicContact CB-CE2 4.43Å; D667-F669 WeakPolarHBondContact O-CD2 3.48Å; D667-F669 PolarHBondContact O-N 3.33Å; D667-F669 VanDerWaalsContact OD1-CB 3.31Å; D667-F669 WeakPolarHBondContact OD1-CB 3.47Å; D667-F669 WeakPolarHBondContact OD1-CD2 3.15Å; D667-F669 PolarHBondContact OD1-N 3.33Å; D667-C686 PolarHBondContact OD1-SG 3.15Å; D667-C686 PolarHBondContact OD2-SG 2.78Å; D667-Y688 HydrophobicContact CB-CD1 3.92Å; D667-Y688 HydrophobicContact CB-CG 4.46Å; D667-C689 PolarHBondContact OD2-SG 3.19Å
668	K	94.7	Very high	89.9	Confident	113 Å²	113	47.6 Å²	47.6	49%	0.491	26%	0.264	S	S	.	.			trans	64.3	10.7	-179.5	-49.2	-56.1	-175.9	-163	0	115.8	C664 P665	C664-K668 VanDerWaalsContact O-CA 3.24Å; C664-K668 WeakPolarHBondContact O-CA 3.41Å; C664-K668 PolarHBondContact O-N 2.71Å; P665-K668 PolarHBondContact O-NZ 2.9Å
669	F	95.6	Very high	88.5	Confident	1 Å²	1	53 Å²	53	0%	0.004	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-69	141.7	171.9	-78.1	-106.4	0	0	0	110.8	C622 G623 K624 L629 Y648 K663 C664 D667 P687 Y688	C622-F669 HydrophobicContact CB-CE1 4.24Å; C622-F669 VanDerWaalsContact SG-CZ 3.57Å; G623-F669 VanDerWaalsContact N-CD2 3.26Å; G623-F669 VanDerWaalsContact N-CE2 3.32Å; G623-F669 VanDerWaalsContact N-CG 3.29Å; K624-F669 HydrophobicContact CG-CE2 4.14Å; K624-F669 HydrophobicContact CG-CZ 4.26Å; L629-F669 HydrophobicContact CD1-CD1 3.94Å; L629-F669 HydrophobicContact CD1-CE1 3.97Å; Y648-F669 HydrophobicContact CD2-CE1 4.3Å; Y648-F669 HydrophobicContact CE1-CE1 4.47Å; Y648-F669 HydrophobicContact CE1-CZ 4.37Å; Y648-F669 AromaticContact CE2-CE1 3.66Å; Y648-F669 HydrophobicContact CE2-CE1 3.66Å; Y648-F669 HydrophobicContact CE2-CZ 4.1Å; Y648-F669 AromaticContact CZ-CE1 3.76Å; Y648-F669 AromaticContact CZ-CZ 3.72Å; Y648-F669 WeakPolarHBondContact OH-CZ 3.48Å; K663-F669 CarbonylContact C-O 3.59Å; K663-F669 VanDerWaalsContact CA-O 3.32Å; K663-F669 WeakPolarHBondContact CA-O 3.25Å; C664-F669 PolarHBondContact N-O 2.96Å; D667-F669 HydrophobicContact CB-CD2 3.91Å; D667-F669 HydrophobicContact CB-CE2 4.43Å; D667-F669 WeakPolarHBondContact O-CD2 3.48Å; D667-F669 PolarHBondContact O-N 3.33Å; D667-F669 VanDerWaalsContact OD1-CB 3.31Å; D667-F669 WeakPolarHBondContact OD1-CB 3.47Å; D667-F669 WeakPolarHBondContact OD1-CD2 3.15Å; D667-F669 PolarHBondContact OD1-N 3.33Å; F669-P687 HydrophobicContact CB-CG 4.24Å; F669-P687 HydrophobicContact CD1-CG 3.91Å; F669-P687 HydrophobicContact CG-CG 4.45Å; F669-Y688 HydrophobicContact CD2-CG 4.11Å; F669-Y688 AromaticContact CE2-CD2 3.8Å; F669-Y688 HydrophobicContact CE2-CD2 3.8Å; F669-Y688 AromaticContact CE2-CG 3.8Å; F669-Y688 HydrophobicContact CE2-CG 3.8Å; F669-Y688 AromaticContact CZ-CD2 3.86Å; F669-Y688 HydrophobicContact CZ-CD2 3.86Å; F669-Y688 HydrophobicContact CZ-CG 4.22Å
670	E	95.1	Very high	87.4	Confident	37 Å²	37	53.2 Å²	53.2	17%	0.173	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.9	172.6	-75.3	174.5	175.7	0	0	110.8	S620 R621 E662 K663 P687	S620-E670 WeakPolarHBondContact CA-OE2 3.46Å; R621-E670 HydrophobicContact CB-CG 4.15Å; R621-E670 VanDerWaalsContact CD-OE1 3.31Å; R621-E670 WeakPolarHBondContact CD-OE1 3.46Å; R621-E670 WeakPolarHBondContact CG-OE1 3.44Å; R621-E670 WeakPolarHBondContact CG-OE2 3.41Å; R621-E670 PolarHBondContact N-OE2 2.85Å; R621-E670 IonicContact NE-OE1 2.75Å; R621-E670 PolarHBondContact O-N 3.14Å; E662-E670 WeakPolarHBondContact O-CA 3.5Å; K663-E670 HydrophobicContact CG-CG 3.99Å; E670-P687 WeakPolarHBondContact O-CD 3.37Å
671	L	95.1	Very high	86.8	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.9	-179.5	-60.4	-172.8	0	0	0	111.3	Y659 E662 C664 V684 C686 Q714	Y659-L671 HydrophobicContact CD1-CB 4.04Å; Y659-L671 HydrophobicContact CD1-CD1 4.31Å; Y659-L671 PolarHBondContact N-O 3.43Å; E662-L671 HydrophobicContact CB-CD1 4Å; E662-L671 HydrophobicContact CB-CG 4.35Å; E662-L671 PolarHBondContact O-N 3.37Å; C664-L671 HydrophobicContact CB-CD2 4.06Å; L671-V684 HydrophobicContact CB-CG1 4.27Å; L671-V684 HydrophobicContact CD1-CG1 4.23Å; L671-C686 HydrophobicContact CD2-CB 3.69Å; L671-Q714 HydrophobicContact CD1-CG 3.87Å
672	L	95.4	Very high	86.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.5	178.6	-64.5	168.8	0	0	0	110.2	L619 L639 L650 I656 R657 V684 F685 P687	L619-L672 HydrophobicContact CD2-CD2 4.05Å; L619-L672 HydrophobicContact CG-CD2 4.41Å; L639-L672 HydrophobicContact CD1-CD1 3.4Å; L639-L672 VanDerWaalsContact CD1-CD1 3.4Å; L650-L672 HydrophobicContact CD2-CD1 4.21Å; I656-L672 HydrophobicContact CG2-CB 4.4Å; I656-L672 HydrophobicContact CG2-CD1 4.28Å; I656-L672 HydrophobicContact CG2-CD2 4.46Å; R657-L672 WeakPolarHBondContact O-CA 3.44Å; L672-V684 CarbonylContact O-C 3.54Å; L672-V684 VanDerWaalsContact O-CA 3.31Å; L672-V684 WeakPolarHBondContact O-CA 3.31Å; L672-F685 HydrophobicContact CB-CD1 4.31Å; L672-F685 HydrophobicContact CB-CE1 3.76Å; L672-F685 HydrophobicContact CB-CE2 4.22Å; L672-F685 HydrophobicContact CB-CZ 3.71Å; L672-F685 HydrophobicContact CD1-CE2 4.15Å; L672-F685 HydrophobicContact CD1-CZ 4.04Å; L672-F685 PolarHBondContact N-O 3.42Å; L672-F685 WeakPolarHBondContact O-CD1 3.47Å; L672-F685 PolarHBondContact O-N 2.94Å; L672-P687 HydrophobicContact CD1-CB 4.12Å; L672-P687 HydrophobicContact CD1-CG 4.11Å
673	C	93.4	Very high	86.7	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.4	173.4	179.3	0	0	0	0	109.5	I656 R657 Y659 M683	I656-C673 WeakPolarHBondContact CA-O 3.49Å; R657-C673 HydrophobicContact CG-CB 3.99Å; R657-C673 PolarHBondContact N-O 3.43Å; R657-C673 PolarHBondContact O-N 2.86Å; Y659-C673 HydrophobicContact CD2-CB 4.27Å; C673-M683 WeakPolarHBondContact CA-O 3.42Å
674	Y	92.4	Very high	86.7	Confident	16 Å²	16	39.9 Å²	39.9	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.9	168	167.3	-103.1	0	0	0	110.1	P651 Q652 N653 G654 T655 I656 Q676 N682 M683	P651-Y674 HydrophobicContact CB-CD1 4.09Å; P651-Y674 HydrophobicContact CB-CD2 3.54Å; P651-Y674 HydrophobicContact CB-CE1 4.33Å; P651-Y674 HydrophobicContact CB-CE2 3.77Å; P651-Y674 HydrophobicContact CB-CG 3.66Å; P651-Y674 HydrophobicContact CG-CD2 4.29Å; P651-Y674 HydrophobicContact CG-CG 4.08Å; Q652-Y674 PolarHBondContact O-OH 2.87Å; N653-Y674 PolarHBondContact O-OH 3.14Å; G654-Y674 VanDerWaalsContact CA-CE2 3.46Å; T655-Y674 WeakPolarHBondContact O-CA 3.4Å; I656-Y674 HydrophobicContact CD1-CD2 3.69Å; I656-Y674 HydrophobicContact CD1-CG 4.3Å; Y674-Q676 HydrophobicContact CE1-CG 3.71Å; Y674-Q676 HydrophobicContact CE2-CG 4.46Å; Y674-Q676 VanDerWaalsContact OH-CD 3.23Å; Y674-Q676 WeakPolarHBondContact OH-CG 3.17Å; Y674-Q676 PolarHBondContact OH-NE2 3.04Å; Y674-N682 CarbonylContact O-C 3.47Å; Y674-N682 VanDerWaalsContact O-CA 3.28Å; Y674-N682 WeakPolarHBondContact O-CA 3.2Å; Y674-M683 HydrophobicContact CD1-CB 4.35Å; Y674-M683 PolarHBondContact N-O 3.35Å; Y674-M683 PolarHBondContact O-N 2.92Å
675	T	87.8	Confident	86.7	Confident	17 Å²	17	39.7 Å²	39.7	10%	0.104	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.2	173.4	-175.3	0	0	0	0	112.8	G654 T655 G677 N682	G654-T675 WeakPolarHBondContact CA-O 3.42Å; T655-T675 PolarHBondContact N-O 3.08Å; T655-T675 PolarHBondContact O-N 3.1Å; T655-T675 WeakPolarHBondContact OG1-CG2 3.4Å; T675-G677 PolarHBondContact OG1-N 2.88Å; T675-N682 VanDerWaalsContact CB-OD1 3.31Å; T675-N682 WeakPolarHBondContact CB-OD1 3.41Å; T675-N682 PolarHBondContact OG1-OD1 3.19Å
676	Q	83.8	Confident	86.7	Confident	90 Å²	90	38.2 Å²	38.2	42%	0.421	20%	0.203	S	C	.	.			trans	-100.2	21.7	172	-70.3	-179.5	-39.3	0	0	112.7	Y674 R681	Y674-Q676 HydrophobicContact CE1-CG 3.71Å; Y674-Q676 HydrophobicContact CE2-CG 4.46Å; Y674-Q676 VanDerWaalsContact OH-CD 3.23Å; Y674-Q676 WeakPolarHBondContact OH-CG 3.17Å; Y674-Q676 PolarHBondContact OH-NE2 3.04Å; Q676-R681 PolarHBondContact N-O 3Å
677	G	75.6	Confident	86.8	Confident	36 Å²	36	35 Å²	35	37%	0.371	19%	0.186	S	C	.	.			trans	88.4	-177	-178.1	0	0	0	0	0	114.2	T675 K679 G680	T675-G677 PolarHBondContact OG1-N 2.88Å; G677-K679 VanDerWaalsContact C-N 3.29Å; G677-K679 PolarHBondContact O-N 3.2Å; G677-K679 VanDerWaalsContact O-N 3.09Å; G677-G680 PolarHBondContact O-N 3.33Å
678	G	65.6	Low	86.8	Confident	60 Å²	60	36.9 Å²	36.9	62%	0.619	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.4	-163.7	0	0	0	0	0	116.3	R743	G678-R743 PolarHBondContact O-NH2 2.92Å
679	K	64	Low	86.8	Confident	180 Å²	180	31.8 Å²	31.8	78%	0.783	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-2.3	173.6	-65.8	-175	-178.5	179.7	0	112.8	G677 K820	G677-K679 VanDerWaalsContact C-N 3.29Å; G677-K679 PolarHBondContact O-N 3.2Å; G677-K679 VanDerWaalsContact O-N 3.09Å; K679-K820 WeakPolarHBondContact O-CE 3.48Å; K679-K820 PolarHBondContact O-NZ 3.43Å
680	G	68.2	Low	86.7	Confident	11 Å²	11	32 Å²	32	11%	0.113	17%	0.171	C	C	.	.	S	Bend	trans	-80.4	176.2	-174.7	0	0	0	0	0	114.3	G677 R743	G677-G680 PolarHBondContact O-N 3.33Å; G680-R743 PolarHBondContact O-NH1 3.03Å
681	R	73.9	Confident	86.3	Confident	104 Å²	104	31.4 Å²	31.4	39%	0.392	17%	0.171	S	C	.	.			trans	-76	135.8	172.3	-168	177.7	-171.2	173.2	6.5	109	Q676	Q676-R681 PolarHBondContact N-O 3Å
682	N	83.5	Confident	86	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	151.3	166	-59.5	-31.9	0	0	0	109.5	Y674 T675 D735 S737 N738	Y674-N682 CarbonylContact O-C 3.47Å; Y674-N682 VanDerWaalsContact O-CA 3.28Å; Y674-N682 WeakPolarHBondContact O-CA 3.2Å; T675-N682 VanDerWaalsContact CB-OD1 3.31Å; T675-N682 WeakPolarHBondContact CB-OD1 3.41Å; T675-N682 PolarHBondContact OG1-OD1 3.19Å; N682-D735 WeakPolarHBondContact CB-OD2 3.3Å; N682-D735 PolarHBondContact ND2-OD2 2.97Å; N682-S737 WeakPolarHBondContact CB-OG 3.38Å; N682-S737 PolarHBondContact ND2-OG 3.22Å; N682-N738 PolarHBondContact ND2-ND2 3.25Å
683	M	88.6	Confident	85.6	Confident	22 Å²	22	37 Å²	37	11%	0.108	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	120.7	177.4	-176.8	175.8	70.8	0	0	110.3	P651 C673 Y674 F685 F690 G703	P651-M683 HydrophobicContact CB-CE 4.06Å; P651-M683 HydrophobicContact CG-CE 3.26Å; C673-M683 WeakPolarHBondContact CA-O 3.42Å; Y674-M683 HydrophobicContact CD1-CB 4.35Å; Y674-M683 PolarHBondContact N-O 3.35Å; Y674-M683 PolarHBondContact O-N 2.92Å; M683-F685 HydrophobicContact CE-CB 4.48Å; M683-F685 HydrophobicContact CE-CD1 4.12Å; M683-F685 HydrophobicContact CE-CG 4.37Å; M683-F690 HydrophobicContact CE-CD2 4.13Å; M683-F690 HydrophobicContact CE-CE2 3.49Å; M683-F690 VanDerWaalsContact CE-CE2 3.49Å; M683-F690 HydrophobicContact CE-CZ 4.33Å; M683-F690 HydrophobicContact SD-CE2 4.45Å; M683-G703 VanDerWaalsContact SD-CA 3.58Å; M683-G703 PolarHBondContact SD-N 3.5Å; M683-G703 VanDerWaalsContact SD-N 3.39Å
684	V	93.4	Very high	85.4	Confident	11 Å²	11	40 Å²	40	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.9	166.1	-176	0	0	0	0	108.4	Y659 L671 L672 G703 C704 Q714	Y659-V684 HydrophobicContact CD1-CG1 3.54Å; Y659-V684 HydrophobicContact CD1-CG2 4.46Å; Y659-V684 HydrophobicContact CD2-CB 4.46Å; Y659-V684 HydrophobicContact CD2-CG1 4.05Å; Y659-V684 HydrophobicContact CD2-CG2 3.53Å; Y659-V684 HydrophobicContact CE1-CG1 3.92Å; Y659-V684 HydrophobicContact CE1-CG2 4.49Å; Y659-V684 HydrophobicContact CE2-CG1 4.36Å; Y659-V684 HydrophobicContact CE2-CG2 3.54Å; Y659-V684 HydrophobicContact CG-CB 4.48Å; Y659-V684 HydrophobicContact CG-CG1 3.62Å; Y659-V684 HydrophobicContact CG-CG2 4.02Å; L671-V684 HydrophobicContact CB-CG1 4.27Å; L671-V684 HydrophobicContact CD1-CG1 4.23Å; L672-V684 CarbonylContact O-C 3.54Å; L672-V684 VanDerWaalsContact O-CA 3.31Å; L672-V684 WeakPolarHBondContact O-CA 3.31Å; V684-G703 WeakPolarHBondContact O-CA 3.37Å; V684-C704 PolarHBondContact O-N 3.01Å; V684-Q714 HydrophobicContact CG1-CB 4.44Å; V684-Q714 HydrophobicContact CG1-CG 3.92Å
685	F	94.6	Very high	85.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151	-176.6	69.2	-78.9	0	0	0	112.3	L650 P651 I656 L672 M683 F690 C704	L650-F685 HydrophobicContact CD2-CE2 3.78Å; L650-F685 HydrophobicContact CD2-CZ 3.84Å; P651-F685 VanDerWaalsContact CD-CZ 3.44Å; P651-F685 HydrophobicContact CG-CD1 4.3Å; P651-F685 HydrophobicContact CG-CE1 3.9Å; P651-F685 HydrophobicContact CG-CE2 4.41Å; P651-F685 HydrophobicContact CG-CZ 3.97Å; I656-F685 HydrophobicContact CD1-CE1 4.25Å; I656-F685 HydrophobicContact CD1-CZ 4.12Å; L672-F685 HydrophobicContact CB-CD1 4.31Å; L672-F685 HydrophobicContact CB-CE1 3.76Å; L672-F685 HydrophobicContact CB-CE2 4.22Å; L672-F685 HydrophobicContact CB-CZ 3.71Å; L672-F685 HydrophobicContact CD1-CE2 4.15Å; L672-F685 HydrophobicContact CD1-CZ 4.04Å; L672-F685 PolarHBondContact N-O 3.42Å; L672-F685 WeakPolarHBondContact O-CD1 3.47Å; L672-F685 PolarHBondContact O-N 2.94Å; M683-F685 HydrophobicContact CE-CB 4.48Å; M683-F685 HydrophobicContact CE-CD1 4.12Å; M683-F685 HydrophobicContact CE-CG 4.37Å; F685-F690 HydrophobicContact CB-CD2 4.24Å; F685-F690 HydrophobicContact CD2-CB 3.77Å; F685-F690 AromaticContact CD2-CD2 3.97Å; F685-F690 HydrophobicContact CD2-CD2 3.97Å; F685-F690 AromaticContact CD2-CG 3.88Å; F685-F690 HydrophobicContact CD2-CG 3.88Å; F685-F690 HydrophobicContact CE2-CB 4.48Å; F685-F690 HydrophobicContact CE2-CG 4.4Å; F685-F690 HydrophobicContact CG-CD2 4.24Å; F685-C704 VanDerWaalsContact CA-SG 3.57Å
686	C	95.3	Very high	85	Confident	1 Å²	1	51 Å²	51	1%	0.007	27%	0.27	C	S	.	.			trans	-85.2	127.7	163.9	170.8	0	0	0	0	108.5	C664 D667 L671 Y688 C689 F690 C704	C664-C686 HydrophobicContact CB-CB 3.95Å; D667-C686 PolarHBondContact OD1-SG 3.15Å; D667-C686 PolarHBondContact OD2-SG 2.78Å; L671-C686 HydrophobicContact CD2-CB 3.69Å; C686-Y688 PolarHBondContact O-N 3.24Å; C686-Y688 PolarHBondContact SG-N 3.25Å; C686-Y688 VanDerWaalsContact SG-N 3.4Å; C686-C689 HydrophobicContact CB-CB 4Å; C686-C689 PolarHBondContact O-N 3.27Å; C686-F690 WeakPolarHBondContact O-CB 3.49Å; C686-F690 PolarHBondContact O-N 3.26Å; C686-C704 PolarHBondContact N-SG 2.85Å; C686-C704 VanDerWaalsContact N-SG 3.37Å
687	P	93.8	Very high	84.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-32.1	179.8	24.7	-34	0	0	0	113.1	L629 L639 F669 E670 L672 S691	L629-P687 HydrophobicContact CD1-CG 4.36Å; L639-P687 HydrophobicContact CD1-CB 3.88Å; L639-P687 HydrophobicContact CD1-CG 4.26Å; F669-P687 HydrophobicContact CB-CG 4.24Å; F669-P687 HydrophobicContact CD1-CG 3.91Å; F669-P687 HydrophobicContact CG-CG 4.45Å; E670-P687 WeakPolarHBondContact O-CD 3.37Å; L672-P687 HydrophobicContact CD1-CB 4.12Å; L672-P687 HydrophobicContact CD1-CG 4.11Å; P687-S691 PolarHBondContact O-N 3.33Å; P687-S691 PolarHBondContact O-OG 3.27Å
688	Y	94	Very high	85.3	Confident	65 Å²	65	49.7 Å²	49.7	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-70.7	-55.8	176.5	-169.6	-100.5	0	0	0	111.4	Y648 D667 F669 C686 F690 S691 H692	Y648-Y688 HydrophobicContact CD1-CD2 4.21Å; Y648-Y688 AromaticContact CE1-CD2 3.53Å; Y648-Y688 HydrophobicContact CE1-CD2 3.53Å; Y648-Y688 HydrophobicContact CE1-CE2 4.07Å; D667-Y688 HydrophobicContact CB-CD1 3.92Å; D667-Y688 HydrophobicContact CB-CG 4.46Å; F669-Y688 HydrophobicContact CD2-CG 4.11Å; F669-Y688 AromaticContact CE2-CD2 3.8Å; F669-Y688 HydrophobicContact CE2-CD2 3.8Å; F669-Y688 AromaticContact CE2-CG 3.8Å; F669-Y688 HydrophobicContact CE2-CG 3.8Å; F669-Y688 AromaticContact CZ-CD2 3.86Å; F669-Y688 HydrophobicContact CZ-CD2 3.86Å; F669-Y688 HydrophobicContact CZ-CG 4.22Å; C686-Y688 PolarHBondContact O-N 3.24Å; C686-Y688 PolarHBondContact SG-N 3.25Å; C686-Y688 VanDerWaalsContact SG-N 3.4Å; Y688-F690 PolarHBondContact O-N 3.23Å; Y688-S691 PolarHBondContact O-N 3.49Å; Y688-S691 VanDerWaalsContact O-N 3.12Å; Y688-H692 AromaticContact CD2-ND1 3.63Å; Y688-H692 HydrophobicContact CE1-CB 4.26Å; Y688-H692 AromaticContact CE2-ND1 3.41Å; Y688-H692 WeakPolarHBondContact CE2-ND1 3.18Å; Y688-H692 AromaticContact CZ-ND1 3.86Å; Y688-H692 WeakPolarHBondContact O-CA 3.35Å; Y688-H692 WeakPolarHBondContact O-CB 3.47Å; Y688-H692 PolarHBondContact O-N 2.94Å
689	C	93.7	Very high	86.1	Confident	6 Å²	6	49.5 Å²	49.5	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-32.3	177	-62.2	0	0	0	0	113.4	D667 C686 S691 H692 P693 P694 M698	D667-C689 PolarHBondContact OD2-SG 3.19Å; C686-C689 HydrophobicContact CB-CB 4Å; C686-C689 PolarHBondContact O-N 3.27Å; C689-S691 VanDerWaalsContact C-N 3.32Å; C689-S691 PolarHBondContact O-N 3.28Å; C689-H692 WeakPolarHBondContact CA-O 3.44Å; C689-H692 CarbonylContact O-C 3.6Å; C689-H692 VanDerWaalsContact O-C 3.25Å; C689-P693 VanDerWaalsContact O-CA 3.24Å; C689-P693 WeakPolarHBondContact O-CA 3.35Å; C689-P694 HydrophobicContact CB-CG 4.46Å; C689-M698 HydrophobicContact CB-CE 4.4Å
690	F	93.3	Very high	86.9	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-39.2	178.1	-174	-92.1	0	0	0	111.8	T649 P651 M683 F685 C686 Y688 L701 S702	T649-F690 HydrophobicContact CG2-CE1 4.32Å; T649-F690 VanDerWaalsContact O-CD1 3.25Å; T649-F690 WeakPolarHBondContact O-CD1 3.48Å; P651-F690 HydrophobicContact CB-CZ 4.3Å; P651-F690 HydrophobicContact CG-CE1 4.23Å; P651-F690 HydrophobicContact CG-CE2 3.81Å; P651-F690 HydrophobicContact CG-CZ 3.6Å; M683-F690 HydrophobicContact CE-CD2 4.13Å; M683-F690 HydrophobicContact CE-CE2 3.49Å; M683-F690 VanDerWaalsContact CE-CE2 3.49Å; M683-F690 HydrophobicContact CE-CZ 4.33Å; M683-F690 HydrophobicContact SD-CE2 4.45Å; F685-F690 HydrophobicContact CB-CD2 4.24Å; F685-F690 HydrophobicContact CD2-CB 3.77Å; F685-F690 AromaticContact CD2-CD2 3.97Å; F685-F690 HydrophobicContact CD2-CD2 3.97Å; F685-F690 AromaticContact CD2-CG 3.88Å; F685-F690 HydrophobicContact CD2-CG 3.88Å; F685-F690 HydrophobicContact CE2-CB 4.48Å; F685-F690 HydrophobicContact CE2-CG 4.4Å; F685-F690 HydrophobicContact CG-CD2 4.24Å; C686-F690 WeakPolarHBondContact O-CB 3.49Å; C686-F690 PolarHBondContact O-N 3.26Å; Y688-F690 PolarHBondContact O-N 3.23Å; F690-L701 HydrophobicContact CD1-CD2 3.93Å; F690-L701 HydrophobicContact CE1-CB 3.99Å; F690-L701 HydrophobicContact CE1-CD2 3.38Å; F690-L701 HydrophobicContact CE1-CG 4.28Å; F690-L701 VanDerWaalsContact CE2-CA 3.41Å; F690-L701 HydrophobicContact CE2-CB 4Å; F690-L701 WeakPolarHBondContact CE2-O 3.45Å; F690-L701 VanDerWaalsContact CZ-CA 3.46Å; F690-L701 HydrophobicContact CZ-CB 3.57Å; F690-L701 HydrophobicContact CZ-CD2 3.9Å; F690-L701 HydrophobicContact CZ-CG 4.33Å; F690-L701 PolarHBondContact O-N 3.36Å; F690-L701 VanDerWaalsContact O-N 3.16Å; F690-S702 WeakPolarHBondContact CD2-O 3.32Å
691	S	86.8	Confident	87.7	Confident	23 Å²	23	51.3 Å²	51.3	16%	0.161	26%	0.26	C	S	.	.	H	α-helix	trans	-81.8	-35.9	176.7	-52.9	0	0	0	0	112.1	Y648 T649 P687 Y688 C689	Y648-S691 WeakPolarHBondContact CA-OG 3.24Å; T649-S691 PolarHBondContact N-OG 2.93Å; P687-S691 PolarHBondContact O-N 3.33Å; P687-S691 PolarHBondContact O-OG 3.27Å; Y688-S691 PolarHBondContact O-N 3.49Å; Y688-S691 VanDerWaalsContact O-N 3.12Å; C689-S691 VanDerWaalsContact C-N 3.32Å; C689-S691 PolarHBondContact O-N 3.28Å
692	H	88.3	Confident	88.4	Confident	86 Å²	86	46.7 Å²	46.7	40%	0.398	24%	0.244	S	C	.	.	S	Bend	trans	-131.5	79	-174.2	-48.3	106.9	0	0	0	109.8	Y688 C689 P694	Y688-H692 AromaticContact CD2-ND1 3.63Å; Y688-H692 HydrophobicContact CE1-CB 4.26Å; Y688-H692 AromaticContact CE2-ND1 3.41Å; Y688-H692 WeakPolarHBondContact CE2-ND1 3.18Å; Y688-H692 AromaticContact CZ-ND1 3.86Å; Y688-H692 WeakPolarHBondContact O-CA 3.35Å; Y688-H692 WeakPolarHBondContact O-CB 3.47Å; Y688-H692 PolarHBondContact O-N 2.94Å; C689-H692 WeakPolarHBondContact CA-O 3.44Å; C689-H692 CarbonylContact O-C 3.6Å; C689-H692 VanDerWaalsContact O-C 3.25Å; H692-P694 WeakPolarHBondContact O-CD 3.42Å
693	P	89	Confident	88.8	Confident	34 Å²	34	46.4 Å²	46.4	22%	0.221	24%	0.243	C	C	.	.			trans	-57	122.8	-180	-24.3	32.7	0	0	0	111	C689 F695 M698 K700	C689-P693 VanDerWaalsContact O-CA 3.24Å; C689-P693 WeakPolarHBondContact O-CA 3.35Å; P693-F695 VanDerWaalsContact C-N 3.27Å; P693-F695 PolarHBondContact O-N 3.44Å; P693-M698 HydrophobicContact CB-CB 4.14Å; P693-M698 HydrophobicContact CB-CG 4.15Å; P693-M698 WeakPolarHBondContact CB-O 3.46Å; P693-M698 HydrophobicContact CB-SD 4.48Å; P693-K700 HydrophobicContact CG-CB 4.33Å; P693-K700 HydrophobicContact CG-CG 3.95Å
694	P	87.3	Confident	89	Confident	64 Å²	64	45.7 Å²	45.7	42%	0.416	24%	0.24	S	C	.	.	S	Bend	trans	-78.8	-9.2	-174.9	28.2	-32.9	0	0	0	113.6	L666 C689 H692	L666-P694 HydrophobicContact CD1-CB 4.34Å; L666-P694 HydrophobicContact CD1-CG 3.83Å; C689-P694 HydrophobicContact CB-CG 4.46Å; H692-P694 WeakPolarHBondContact O-CD 3.42Å
695	F	89.6	Confident	88.9	Confident	59 Å²	59	46.3 Å²	46.3	26%	0.259	24%	0.243	S	C	.	.	S	Bend	trans	-127.4	141.2	-177.3	-49.5	-71.1	0	0	0	110.8	L666 P693 S697 M698 P708 H709	L666-F695 HydrophobicContact CD1-CE2 3.79Å; L666-F695 HydrophobicContact CD1-CZ 3.67Å; P693-F695 VanDerWaalsContact C-N 3.27Å; P693-F695 PolarHBondContact O-N 3.44Å; F695-S697 PolarHBondContact O-N 3.15Å; F695-M698 HydrophobicContact CB-CB 4.23Å; F695-M698 WeakPolarHBondContact O-CB 3.38Å; F695-M698 PolarHBondContact O-N 3.46Å; F695-P708 HydrophobicContact CB-CG 4.21Å; F695-P708 HydrophobicContact CD1-CG 4.32Å; F695-P708 HydrophobicContact CD2-CG 3.62Å; F695-P708 HydrophobicContact CE2-CG 4.01Å; F695-P708 HydrophobicContact CG-CG 3.78Å; F695-H709 HydrophobicContact CE2-CB 4.15Å; F695-H709 HydrophobicContact CZ-CB 3.94Å; F695-H709 AromaticContact CZ-CD2 3.97Å
696	E	82.7	Confident	88.7	Confident	206 Å²	206	49.2 Å²	49.2	96%	0.963	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.4	179	-169.5	174.7	-168.4	0	0	112.8	M698	E696-M698 PolarHBondContact O-N 3.34Å
697	S	80.8	Confident	88.6	Confident	91 Å²	91	49.4 Å²	49.4	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.1	176	59.9	0	0	0	0	114	F695 P699	F695-S697 PolarHBondContact O-N 3.15Å; S697-P699 VanDerWaalsContact O-CD 3.31Å; S697-P699 WeakPolarHBondContact O-CD 3.43Å
698	M	84.7	Confident	88.4	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.034	27%	0.269	C	S	.	.	S	Bend	trans	-97.7	108.5	-179.1	-171	175.6	-179.4	0	0	110	C689 P693 F695 E696 S702 G703	C689-M698 HydrophobicContact CB-CE 4.4Å; P693-M698 HydrophobicContact CB-CB 4.14Å; P693-M698 HydrophobicContact CB-CG 4.15Å; P693-M698 WeakPolarHBondContact CB-O 3.46Å; P693-M698 HydrophobicContact CB-SD 4.48Å; F695-M698 HydrophobicContact CB-CB 4.23Å; F695-M698 WeakPolarHBondContact O-CB 3.38Å; F695-M698 PolarHBondContact O-N 3.46Å; E696-M698 PolarHBondContact O-N 3.34Å; M698-S702 WeakPolarHBondContact CE-O 3.41Å; M698-S702 WeakPolarHBondContact CE-OG 3.38Å; M698-S702 VanDerWaalsContact CG-OG 3.27Å; M698-S702 WeakPolarHBondContact CG-OG 3.12Å; M698-G703 WeakPolarHBondContact CE-O 3.49Å
699	P	83.2	Confident	88.2	Confident	56 Å²	56	50.8 Å²	50.8	36%	0.364	27%	0.268	S	S	.	.			trans	-67	152.6	178.4	18.7	-23.7	0	0	0	111.9	S697 S702	S697-P699 VanDerWaalsContact O-CD 3.31Å; S697-P699 WeakPolarHBondContact O-CD 3.43Å; P699-S702 VanDerWaalsContact O-CB 3.28Å; P699-S702 WeakPolarHBondContact O-CB 3.47Å; P699-S702 PolarHBondContact O-OG 3.08Å
700	K	79.7	Confident	87.9	Confident	137 Å²	137	54.6 Å²	54.6	60%	0.596	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	148.1	172.9	-68.7	-171.1	177.5	-169.6	0	111.2	P693 S702 L831	P693-K700 HydrophobicContact CG-CB 4.33Å; P693-K700 HydrophobicContact CG-CG 3.95Å; K700-S702 VanDerWaalsContact C-N 3.29Å; K700-S702 PolarHBondContact O-N 2.8Å; K700-L831 HydrophobicContact CD-CD1 4.3Å
701	L	85.9	Confident	87.8	Confident	91 Å²	91	58.5 Å²	58.5	48%	0.476	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	36.8	177.9	-46.4	176.5	0	0	0	113.1	T649 F690	T649-L701 HydrophobicContact CG2-CD2 3.85Å; F690-L701 HydrophobicContact CD1-CD2 3.93Å; F690-L701 HydrophobicContact CE1-CB 3.99Å; F690-L701 HydrophobicContact CE1-CD2 3.38Å; F690-L701 HydrophobicContact CE1-CG 4.28Å; F690-L701 VanDerWaalsContact CE2-CA 3.41Å; F690-L701 HydrophobicContact CE2-CB 4Å; F690-L701 WeakPolarHBondContact CE2-O 3.45Å; F690-L701 VanDerWaalsContact CZ-CA 3.46Å; F690-L701 HydrophobicContact CZ-CB 3.57Å; F690-L701 HydrophobicContact CZ-CD2 3.9Å; F690-L701 HydrophobicContact CZ-CG 4.33Å; F690-L701 PolarHBondContact O-N 3.36Å; F690-L701 VanDerWaalsContact O-N 3.16Å
702	S	88.6	Confident	88	Confident	8 Å²	8	57.5 Å²	57.5	6%	0.056	31%	0.31	C	S	.	.			trans	-111.3	149.2	176.8	65.6	0	0	0	0	112.9	F690 M698 P699 K700	F690-S702 WeakPolarHBondContact CD2-O 3.32Å; M698-S702 WeakPolarHBondContact CE-O 3.41Å; M698-S702 WeakPolarHBondContact CE-OG 3.38Å; M698-S702 VanDerWaalsContact CG-OG 3.27Å; M698-S702 WeakPolarHBondContact CG-OG 3.12Å; P699-S702 VanDerWaalsContact O-CB 3.28Å; P699-S702 WeakPolarHBondContact O-CB 3.47Å; P699-S702 PolarHBondContact O-OG 3.08Å; K700-S702 VanDerWaalsContact C-N 3.29Å; K700-S702 PolarHBondContact O-N 2.8Å
703	G	91.4	Very high	88	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.01	30%	0.304	C	S	.	.			trans	-78.1	173.3	179.1	0	0	0	0	0	113.7	M683 V684 M698 N705 R706	M683-G703 VanDerWaalsContact SD-CA 3.58Å; M683-G703 PolarHBondContact SD-N 3.5Å; M683-G703 VanDerWaalsContact SD-N 3.39Å; V684-G703 WeakPolarHBondContact O-CA 3.37Å; M698-G703 WeakPolarHBondContact CE-O 3.49Å; G703-N705 PolarHBondContact O-N 2.85Å; G703-N705 VanDerWaalsContact O-N 3.12Å; G703-R706 PolarHBondContact O-N 3.48Å
704	C	93.4	Very high	88.2	Confident	6 Å²	6	54.7 Å²	54.7	4%	0.041	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-60	-23.7	178.8	-71.4	0	0	0	0	112.9	V684 F685 C686 R706 C707 Q714 S715	V684-C704 PolarHBondContact O-N 3.01Å; F685-C704 VanDerWaalsContact CA-SG 3.57Å; C686-C704 PolarHBondContact N-SG 2.85Å; C686-C704 VanDerWaalsContact N-SG 3.37Å; C704-R706 PolarHBondContact O-N 2.47Å; C704-C707 WeakPolarHBondContact O-CB 3.47Å; C704-C707 PolarHBondContact O-N 2.98Å; C704-Q714 CarbonylContact C-O 3.54Å; C704-Q714 HydrophobicContact CB-CB 3.51Å; C704-S715 WeakPolarHBondContact O-CA 3.09Å
705	N	90.9	Very high	88.4	Confident	25 Å²	25	51.6 Å²	51.6	13%	0.134	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.4	-2.4	174.7	70.5	-24.9	0	0	0	114.7	G703 Q714 V733 N747	G703-N705 PolarHBondContact O-N 2.85Å; G703-N705 VanDerWaalsContact O-N 3.12Å; N705-Q714 PolarHBondContact N-O 3.04Å; N705-V733 HydrophobicContact CB-CB 4.22Å; N705-V733 HydrophobicContact CB-CG1 3.96Å; N705-V733 HydrophobicContact CB-CG2 4.32Å; N705-N747 HydrophobicContact CB-CB 4.48Å; N705-N747 WeakPolarHBondContact O-CB 3.22Å; N705-N747 PolarHBondContact O-ND2 3.04Å
706	R	90.9	Very high	88.3	Confident	60 Å²	60	51 Å²	51	23%	0.226	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-112.2	3	167.3	-65.2	-161.1	-176.7	-176.2	3.7	113.6	G703 C704 P708 N747	G703-R706 PolarHBondContact O-N 3.48Å; C704-R706 PolarHBondContact O-N 2.47Å; R706-P708 WeakPolarHBondContact O-CD 3.35Å; R706-N747 HydrophobicContact CG-CB 4.14Å; R706-N747 PolarHBondContact NE-O 3.05Å; R706-N747 PolarHBondContact NH2-O 3.21Å
707	C	92.1	Very high	88.5	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.034	26%	0.26	C	S	.	.			trans	-74.3	124.5	175.5	-176	0	0	0	0	108.8	C704 H709 S715 M716	C704-C707 WeakPolarHBondContact O-CB 3.47Å; C704-C707 PolarHBondContact O-N 2.98Å; C707-H709 VanDerWaalsContact C-N 3.31Å; C707-H709 VanDerWaalsContact SG-CB 3.54Å; C707-H709 PolarHBondContact SG-N 2.84Å; C707-S715 WeakPolarHBondContact O-CA 3.39Å; C707-S715 WeakPolarHBondContact O-CB 3.24Å; C707-M716 WeakPolarHBondContact O-CG 3.26Å; C707-M716 PolarHBondContact O-N 3.32Å; C707-M716 VanDerWaalsContact O-N 3.12Å
708	P	89.4	Confident	88.9	Confident	47 Å²	47	45.1 Å²	45.1	31%	0.305	24%	0.243	S	C	.	.			trans	-84.6	0.2	174.6	35	-36.9	0	0	0	113.3	F695 R706 P710	F695-P708 HydrophobicContact CB-CG 4.21Å; F695-P708 HydrophobicContact CD1-CG 4.32Å; F695-P708 HydrophobicContact CD2-CG 3.62Å; F695-P708 HydrophobicContact CE2-CG 4.01Å; F695-P708 HydrophobicContact CG-CG 3.78Å; R706-P708 WeakPolarHBondContact O-CD 3.35Å; P708-P710 WeakPolarHBondContact O-CD 2.99Å
709	H	91	Very high	89.3	Confident	48 Å²	48	45.8 Å²	45.8	22%	0.222	25%	0.247	C	C	.	.			trans	-71.1	120.6	-174.7	-164	-91.3	0	0	0	111.4	L666 F695 C707 T711 C712 S715	L666-H709 HydrophobicContact CD1-CB 4.39Å; L666-H709 VanDerWaalsContact CD2-CD2 3.4Å; L666-H709 WeakPolarHBondContact CD2-CD2 3.5Å; L666-H709 WeakPolarHBondContact CD2-NE2 3.11Å; F695-H709 HydrophobicContact CE2-CB 4.15Å; F695-H709 HydrophobicContact CZ-CB 3.94Å; F695-H709 AromaticContact CZ-CD2 3.97Å; C707-H709 VanDerWaalsContact C-N 3.31Å; C707-H709 VanDerWaalsContact SG-CB 3.54Å; C707-H709 PolarHBondContact SG-N 2.84Å; H709-T711 VanDerWaalsContact C-N 3.26Å; H709-T711 PolarHBondContact CE1-OG1 3.02Å; H709-T711 PolarHBondContact ND1-N 2.94Å; H709-T711 PolarHBondContact ND1-OG1 3.49Å; H709-T711 PolarHBondContact O-N 2.86Å; H709-C712 HydrophobicContact CB-CB 4.16Å; H709-C712 WeakPolarHBondContact O-CB 3.15Å; H709-C712 PolarHBondContact O-N 3.2Å; H709-S715 VanDerWaalsContact O-CB 3.3Å; H709-S715 WeakPolarHBondContact O-CB 3.48Å; H709-S715 PolarHBondContact O-OG 2.75Å
710	P	86.5	Confident	89.7	Confident	85 Å²	85	43.6 Å²	43.6	55%	0.552	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.4	-169.1	25.3	-35	0	0	0	113.8	P708 E717 S718	P708-P710 WeakPolarHBondContact O-CD 2.99Å; P710-E717 HydrophobicContact CB-CG 4.35Å; P710-S718 PolarHBondContact O-OG 3.07Å
711	T	90.8	Very high	90.4	Very high	89 Å²	89	37.3 Å²	37.3	55%	0.546	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.9	177.5	74.5	0	0	0	0	113.8	P665 H709 P713	P665-T711 WeakPolarHBondContact CB-OG1 3.41Å; H709-T711 VanDerWaalsContact C-N 3.26Å; H709-T711 PolarHBondContact CE1-OG1 3.02Å; H709-T711 PolarHBondContact ND1-N 2.94Å; H709-T711 PolarHBondContact ND1-OG1 3.49Å; H709-T711 PolarHBondContact O-N 2.86Å; T711-P713 WeakPolarHBondContact O-CD 3.34Å
712	C	92	Very high	90.6	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.196	C	C	.	.			trans	-77.1	118.8	175.5	169.2	0	0	0	0	108.7	P665 H709 Q714 S715 S718	P665-C712 HydrophobicContact CG-CB 3.95Å; H709-C712 HydrophobicContact CB-CB 4.16Å; H709-C712 WeakPolarHBondContact O-CB 3.15Å; H709-C712 PolarHBondContact O-N 3.2Å; C712-Q714 PolarHBondContact O-N 2.82Å; C712-S715 WeakPolarHBondContact O-CB 3.35Å; C712-S715 PolarHBondContact O-N 2.82Å; C712-S715 PolarHBondContact O-OG 3.18Å; C712-S718 PolarHBondContact O-OG 3.25Å
713	P	88.4	Confident	90.7	Very high	44 Å²	44	37.7 Å²	37.7	29%	0.286	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.7	-172.8	27.6	-35.7	0	0	0	113.5	T711 L719	T711-P713 WeakPolarHBondContact O-CD 3.34Å; P713-L719 WeakPolarHBondContact O-CD1 3.41Å
714	Q	92.2	Very high	90.6	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.079	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	12.4	-179	-61.2	-65.6	-60.9	0	0	111.9	Y659 L671 V684 C704 N705 C712	Y659-Q714 HydrophobicContact CE1-CG 4.04Å; Y659-Q714 PolarHBondContact OH-NE2 2.89Å; Y659-Q714 PolarHBondContact OH-OE1 3.33Å; L671-Q714 HydrophobicContact CD1-CG 3.87Å; V684-Q714 HydrophobicContact CG1-CB 4.44Å; V684-Q714 HydrophobicContact CG1-CG 3.92Å; C704-Q714 CarbonylContact C-O 3.54Å; C704-Q714 HydrophobicContact CB-CB 3.51Å; N705-Q714 PolarHBondContact N-O 3.04Å; C712-Q714 PolarHBondContact O-N 2.82Å
715	S	91.5	Very high	90.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-69.8	161.1	179.4	66.7	0	0	0	0	112.3	C704 C707 H709 C712 E717 S718 L719	C704-S715 WeakPolarHBondContact O-CA 3.09Å; C707-S715 WeakPolarHBondContact O-CA 3.39Å; C707-S715 WeakPolarHBondContact O-CB 3.24Å; H709-S715 VanDerWaalsContact O-CB 3.3Å; H709-S715 WeakPolarHBondContact O-CB 3.48Å; H709-S715 PolarHBondContact O-OG 2.75Å; C712-S715 WeakPolarHBondContact O-CB 3.35Å; C712-S715 PolarHBondContact O-N 2.82Å; C712-S715 PolarHBondContact O-OG 3.18Å; S715-E717 PolarHBondContact O-N 3.14Å; S715-E717 PolarHBondContact OG-N 3.44Å; S715-S718 PolarHBondContact O-N 2.8Å; S715-S718 WeakPolarHBondContact OG-CB 3.06Å; S715-S718 PolarHBondContact OG-N 3.22Å; S715-S718 PolarHBondContact OG-OG 3.04Å; S715-L719 PolarHBondContact O-N 3.4Å
716	M	88.4	Confident	90	Very high	47 Å²	47	43.3 Å²	43.3	23%	0.232	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-25.3	169	64	-166.2	-74.4	0	0	112.4	C707 G720 I731 V733	C707-M716 WeakPolarHBondContact O-CG 3.26Å; C707-M716 PolarHBondContact O-N 3.32Å; C707-M716 VanDerWaalsContact O-N 3.12Å; M716-G720 WeakPolarHBondContact O-CA 3.39Å; M716-G720 PolarHBondContact O-N 3.08Å; M716-I731 HydrophobicContact CE-CD1 3.45Å; M716-I731 VanDerWaalsContact CE-CD1 3.45Å; M716-I731 HydrophobicContact CE-CG1 4.31Å; M716-V733 HydrophobicContact CB-CG2 4.43Å
717	E	86.9	Confident	89.9	Confident	131 Å²	131	41.6 Å²	41.6	61%	0.612	25%	0.25	S	C	*	.	H	α-helix	trans	-72.5	-39.7	177.1	-163.5	66.1	-165.3	0	0	111.4	P710 S715	P710-E717 HydrophobicContact CB-CG 4.35Å; S715-E717 PolarHBondContact O-N 3.14Å; S715-E717 PolarHBondContact OG-N 3.44Å
718	S	89.5	Confident	89.5	Confident	41 Å²	41	47 Å²	47	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-83.1	-33	-178	-53.4	0	0	0	0	113.8	P710 C712 S715	P710-S718 PolarHBondContact O-OG 3.07Å; C712-S718 PolarHBondContact O-OG 3.25Å; S715-S718 PolarHBondContact O-N 2.8Å; S715-S718 WeakPolarHBondContact OG-CB 3.06Å; S715-S718 PolarHBondContact OG-N 3.22Å; S715-S718 PolarHBondContact OG-OG 3.04Å
719	L	92.7	Very high	89.4	Confident	22 Å²	22	52.6 Å²	52.6	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-118.5	1	-172.9	-63.9	-176.3	0	0	0	113.8	P713 S715 V721 V733 L734 V764	P713-L719 WeakPolarHBondContact O-CD1 3.41Å; S715-L719 PolarHBondContact O-N 3.4Å; L719-V721 PolarHBondContact O-N 2.94Å; L719-V733 HydrophobicContact CB-CG1 3.58Å; L719-V733 WeakPolarHBondContact O-CA 3.33Å; L719-L734 HydrophobicContact CB-CB 4.28Å; L719-L734 WeakPolarHBondContact CD1-O 3.43Å; L719-L734 HydrophobicContact CD2-CB 4.48Å; L719-L734 HydrophobicContact CD2-CD2 4.44Å; L719-L734 PolarHBondContact O-N 3.01Å; L719-V764 HydrophobicContact CD2-CG2 4.48Å
720	G	92.2	Very high	89.2	Confident	10 Å²	10	50.5 Å²	50.5	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.3	174.6	0	0	0	0	0	110.8	M716 M775	M716-G720 WeakPolarHBondContact O-CA 3.39Å; M716-G720 PolarHBondContact O-N 3.08Å; G720-M775 WeakPolarHBondContact O-CG 3.39Å
721	V	93.6	Very high	89.4	Confident	4 Å²	4	49 Å²	49	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-54.3	-176.3	179.6	0	0	0	0	111.2	L719 L732 L734 L744 V764 A774 M775 L777 F806	L719-V721 PolarHBondContact O-N 2.94Å; V721-L732 PolarHBondContact N-O 3.22Å; V721-L734 HydrophobicContact CG2-CB 4.44Å; V721-L744 HydrophobicContact CB-CD1 4.3Å; V721-L744 HydrophobicContact CB-CD2 4.47Å; V721-L744 HydrophobicContact CG1-CD1 4.06Å; V721-L744 HydrophobicContact CG2-CD1 4.38Å; V721-L744 HydrophobicContact CG2-CD2 3.77Å; V721-V764 HydrophobicContact CG2-CG1 4.48Å; V721-V764 HydrophobicContact CG2-CG2 3.7Å; V721-A774 CarbonylContact O-C 3.18Å; V721-A774 VanDerWaalsContact O-CA 3.3Å; V721-A774 WeakPolarHBondContact O-CA 3.36Å; V721-M775 PolarHBondContact O-N 3.25Å; V721-L777 HydrophobicContact CG1-CD1 4.34Å; V721-L777 HydrophobicContact CG1-CD2 4.13Å; V721-L777 HydrophobicContact CG1-CG 4.49Å; V721-L777 HydrophobicContact CG2-CD2 4.04Å; V721-F806 HydrophobicContact CG1-CE2 3.55Å; V721-F806 HydrophobicContact CG1-CZ 4.01Å
722	D	91.2	Very high	89.5	Confident	44 Å²	44	45 Å²	45	24%	0.235	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167	-175.4	-163.9	12.6	0	0	0	111.4	I731 L732 A774	D722-I731 WeakPolarHBondContact O-CA 3.21Å; D722-L732 WeakPolarHBondContact O-CB 3.4Å; D722-L732 PolarHBondContact O-N 3.3Å; D722-A774 HydrophobicContact CB-CB 3.87Å
723	A	89.9	Confident	89.5	Confident	64 Å²	64	45.1 Å²	45.1	53%	0.529	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	144.6	171.9	0	0	0	0	0	111.4
724	C	89	Confident	89.7	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.061	24%	0.243	C	C	.	.			trans	-73.3	126.2	175.6	178.1	0	0	0	0	110.2	D726 C727 G730 C746	C724-D726 PolarHBondContact O-N 3.35Å; C724-D726 PolarHBondContact SG-N 3.3Å; C724-C727 PolarHBondContact O-N 3.41Å; C724-C727 VanDerWaalsContact SG-SG 3.68Å; C724-G730 VanDerWaalsContact CB-O 3.31Å; C724-G730 WeakPolarHBondContact CB-O 3.44Å; C724-G730 PolarHBondContact N-O 3.41Å; C724-C746 HydrophobicContact CB-CB 4.34Å
725	P	86.2	Confident	89.5	Confident	82 Å²	82	43.2 Å²	43.2	53%	0.532	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.4	179.7	26.8	-35	0	0	0	112.9
726	D	86.5	Confident	89.3	Confident	58 Å²	58	44.5 Å²	44.5	31%	0.31	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.7	-174.2	-62.3	-37	0	0	0	114	C724 T751 R819	C724-D726 PolarHBondContact O-N 3.35Å; C724-D726 PolarHBondContact SG-N 3.3Å; D726-T751 WeakPolarHBondContact CB-OG1 3.49Å; D726-T751 WeakPolarHBondContact OD2-CB 3.29Å; D726-T751 WeakPolarHBondContact OD2-CG2 3.4Å; D726-T751 PolarHBondContact OD2-OG1 2.99Å; D726-R819 IonicContact OD1-CZ 3.65Å; D726-R819 IonicContact OD1-NE 3.72Å; D726-R819 PolarHBondContact OD1-NE 3.31Å; D726-R819 VanDerWaalsContact OD1-NE 3.09Å; D726-R819 IonicContact OD1-NH2 2.67Å; D726-R819 PolarHBondContact OD1-NH2 3.47Å; D726-R819 IonicContact OD2-NE 3.6Å; D726-R819 PolarHBondContact OD2-NE 2.98Å
727	C	88.8	Confident	89.1	Confident	24 Å²	24	42.8 Å²	42.8	16%	0.162	24%	0.242	C	C	.	.	S	Bend	trans	-152.8	139.2	174.7	73.5	0	0	0	0	114	C724 Y729 G730 C749	C724-C727 PolarHBondContact O-N 3.41Å; C724-C727 VanDerWaalsContact SG-SG 3.68Å; C727-Y729 PolarHBondContact O-N 3.44Å; C727-G730 PolarHBondContact O-N 2.93Å; C727-G730 VanDerWaalsContact SG-CA 3.51Å; C727-G730 PolarHBondContact SG-N 2.9Å; C727-C749 HydrophobicContact CB-CB 4.3Å; C727-C749 VanDerWaalsContact SG-SG 3.67Å
728	P	83.4	Confident	88.8	Confident	118 Å²	118	38.8 Å²	38.8	77%	0.766	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13	-165	24.5	-34.6	0	0	0	115.6
729	Y	86	Confident	88.4	Confident	166 Å²	166	39.3 Å²	39.3	65%	0.651	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.9	4.9	-178.2	-53.6	-68.9	0	0	0	113.2	C727 R748	C727-Y729 PolarHBondContact O-N 3.44Å; Y729-R748 VanDerWaalsContact O-CD 3.22Å; Y729-R748 WeakPolarHBondContact O-CD 3.39Å; Y729-R748 PolarHBondContact O-NE 3.13Å
730	G	88.2	Confident	87.7	Confident	4 Å²	4	42.5 Å²	42.5	4%	0.041	25%	0.254	C	S	.	.			trans	-80.9	143.9	179.7	0	0	0	0	0	111.2	C724 C727	C724-G730 VanDerWaalsContact CB-O 3.31Å; C724-G730 WeakPolarHBondContact CB-O 3.44Å; C724-G730 PolarHBondContact N-O 3.41Å; C727-G730 PolarHBondContact O-N 2.93Å; C727-G730 VanDerWaalsContact SG-CA 3.51Å; C727-G730 PolarHBondContact SG-N 2.9Å
731	I	91	Very high	87.3	Confident	52 Å²	52	48.1 Å²	48.1	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.2	169.4	-55.8	-171.5	0	0	0	107.6	M716 D722 V733 C746 N747	M716-I731 HydrophobicContact CE-CD1 3.45Å; M716-I731 VanDerWaalsContact CE-CD1 3.45Å; M716-I731 HydrophobicContact CE-CG1 4.31Å; D722-I731 WeakPolarHBondContact O-CA 3.21Å; I731-V733 HydrophobicContact CG2-CG2 4.33Å; I731-V733 PolarHBondContact O-N 2.92Å; I731-C746 WeakPolarHBondContact O-CA 3.41Å; I731-N747 PolarHBondContact N-OD1 2.75Å; I731-N747 PolarHBondContact O-N 3Å; I731-N747 PolarHBondContact O-OD1 3.13Å
732	L	91.8	Very high	87.1	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	113.1	169	-67.6	176.4	0	0	0	108.3	V721 D722 L744 C746 L753	V721-L732 PolarHBondContact N-O 3.22Å; D722-L732 WeakPolarHBondContact O-CB 3.4Å; D722-L732 PolarHBondContact O-N 3.3Å; L732-L744 HydrophobicContact CB-CB 4.21Å; L732-C746 HydrophobicContact CD2-CB 4.25Å; L732-L753 HydrophobicContact CD1-CD1 3.74Å; L732-L753 HydrophobicContact CD1-CG 4.28Å
733	V	92.6	Very high	87	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134	-177.8	-175.9	0	0	0	0	109	N705 M716 L719 I731 D735 L744 N745 N747	N705-V733 HydrophobicContact CB-CB 4.22Å; N705-V733 HydrophobicContact CB-CG1 3.96Å; N705-V733 HydrophobicContact CB-CG2 4.32Å; M716-V733 HydrophobicContact CB-CG2 4.43Å; L719-V733 HydrophobicContact CB-CG1 3.58Å; L719-V733 WeakPolarHBondContact O-CA 3.33Å; I731-V733 HydrophobicContact CG2-CG2 4.33Å; I731-V733 PolarHBondContact O-N 2.92Å; V733-D735 PolarHBondContact O-N 2.94Å; V733-L744 CarbonylContact O-C 3.56Å; V733-L744 WeakPolarHBondContact O-CA 3.42Å; V733-N745 PolarHBondContact N-O 2.94Å; V733-N745 PolarHBondContact O-N 3.35Å; V733-N747 HydrophobicContact CG2-CB 4.13Å
734	L	92.5	Very high	87	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	125	175.2	178.6	61.8	0	0	0	110.9	L719 V721 Y742 L744 M762 V764	L719-L734 HydrophobicContact CB-CB 4.28Å; L719-L734 WeakPolarHBondContact CD1-O 3.43Å; L719-L734 HydrophobicContact CD2-CB 4.48Å; L719-L734 HydrophobicContact CD2-CD2 4.44Å; L719-L734 PolarHBondContact O-N 3.01Å; V721-L734 HydrophobicContact CG2-CB 4.44Å; L734-Y742 HydrophobicContact CD1-CD1 4.16Å; L734-L744 HydrophobicContact CB-CD2 3.88Å; L734-L744 HydrophobicContact CD1-CD2 3.76Å; L734-L744 HydrophobicContact CG-CD2 4.44Å; L734-M762 HydrophobicContact CD1-CE 3.95Å; L734-M762 HydrophobicContact CD1-CG 3.99Å; L734-M762 HydrophobicContact CD1-SD 3.71Å; L734-M762 HydrophobicContact CD2-CG 4.06Å; L734-V764 HydrophobicContact CB-CG2 3.94Å; L734-V764 HydrophobicContact CD2-CG2 3.84Å
735	D	88.5	Confident	87	Confident	14 Å²	14	46.4 Å²	46.4	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.9	172.6	172.5	21.5	0	0	0	109.3	N682 V733 S737 R743 N745	N682-D735 WeakPolarHBondContact CB-OD2 3.3Å; N682-D735 PolarHBondContact ND2-OD2 2.97Å; V733-D735 PolarHBondContact O-N 2.94Å; D735-S737 WeakPolarHBondContact OD1-CB 3.33Å; D735-S737 PolarHBondContact OD1-N 3.35Å; D735-S737 PolarHBondContact OD1-OG 3.02Å; D735-R743 HydrophobicContact CB-CB 4.44Å; D735-R743 PolarHBondContact N-O 3.29Å; D735-R743 PolarHBondContact O-N 2.82Å; D735-R743 VanDerWaalsContact O-N 3.16Å; D735-N745 WeakPolarHBondContact CB-ND2 3.38Å; D735-N745 VanDerWaalsContact CG-ND2 3.35Å; D735-N745 PolarHBondContact OD2-ND2 2.84Å
736	D	87.4	Confident	87.2	Confident	27 Å²	27	42.6 Å²	42.6	14%	0.144	23%	0.227	C	C	.	.			trans	-106.7	9.5	178.1	74	-18.1	0	0	0	112.3	Y659 K660 N738 A739 Y742	Y659-D736 PolarHBondContact OH-OD1 3.38Å; Y659-D736 PolarHBondContact OH-OD2 3.41Å; Y659-D736 VanDerWaalsContact OH-OD2 3.11Å; K660-D736 IonicContact NZ-OD1 3.93Å; K660-D736 IonicContact NZ-OD2 2.57Å; K660-D736 PolarHBondContact NZ-OD2 3.38Å; D736-N738 PolarHBondContact O-N 2.7Å; D736-N738 VanDerWaalsContact O-N 3.12Å; D736-A739 VanDerWaalsContact O-CB 3.32Å; D736-A739 WeakPolarHBondContact O-CB 3.47Å; D736-A739 PolarHBondContact O-N 3.09Å; D736-Y742 HydrophobicContact CB-CD1 3.96Å; D736-Y742 HydrophobicContact CB-CE1 3.78Å
737	S	83.2	Confident	87.3	Confident	11 Å²	11	40 Å²	40	8%	0.077	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.9	-175.3	63.2	0	0	0	0	113.8	R657 N682 D735	R657-S737 PolarHBondContact NH2-O 3.07Å; N682-S737 WeakPolarHBondContact CB-OG 3.38Å; N682-S737 PolarHBondContact ND2-OG 3.22Å; D735-S737 WeakPolarHBondContact OD1-CB 3.33Å; D735-S737 PolarHBondContact OD1-N 3.35Å; D735-S737 PolarHBondContact OD1-OG 3.02Å
738	N	81.2	Confident	87.2	Confident	48 Å²	48	45.4 Å²	45.4	26%	0.257	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	24.2	176.8	-71.4	-15.2	0	0	0	112.8	R657 N682 D736 K741	R657-N738 PolarHBondContact NH2-OD1 3.43Å; N682-N738 PolarHBondContact ND2-ND2 3.25Å; D736-N738 PolarHBondContact O-N 2.7Å; D736-N738 VanDerWaalsContact O-N 3.12Å; N738-K741 WeakPolarHBondContact O-CB 3.21Å; N738-K741 PolarHBondContact O-N 3.2Å
739	A	80	Confident	87.3	Confident	52 Å²	52	40.9 Å²	40.9	43%	0.43	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	133.7	175.9	0	0	0	0	0	111.2	D736 Y742	D736-A739 VanDerWaalsContact O-CB 3.32Å; D736-A739 WeakPolarHBondContact O-CB 3.47Å; D736-A739 PolarHBondContact O-N 3.09Å; A739-Y742 HydrophobicContact CB-CE1 3.9Å; A739-Y742 HydrophobicContact CB-CE2 4.46Å
740	P	78.5	Confident	87.2	Confident	88 Å²	88	35.3 Å²	35.3	57%	0.571	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.7	7.9	12.1	34.8	-36.6	0	0	0	116.1	Y742	P740-Y742 HydrophobicContact CB-CE2 4.36Å; P740-Y742 WeakPolarHBondContact O-CD2 3.23Å; P740-Y742 WeakPolarHBondContact O-CE2 3.47Å; P740-Y742 PolarHBondContact O-N 3.42Å
741	K	84.3	Confident	87.1	Confident	129 Å²	129	35.7 Å²	35.7	56%	0.561	19%	0.187	S	C	*	.	S	Bend	trans	-87.6	85	175.1	-66.4	-173.2	176.5	-174.4	0	111.2	N738	N738-K741 WeakPolarHBondContact O-CB 3.21Å; N738-K741 PolarHBondContact O-N 3.2Å
742	Y	88	Confident	86.9	Confident	27 Å²	27	34 Å²	34	11%	0.106	18%	0.178	C	C	.	.			trans	-76.9	151.7	-178.8	-60.3	-86.3	0	0	0	112.5	L734 D736 A739 P740 I755 V759 S761 M762	L734-Y742 HydrophobicContact CD1-CD1 4.16Å; D736-Y742 HydrophobicContact CB-CD1 3.96Å; D736-Y742 HydrophobicContact CB-CE1 3.78Å; A739-Y742 HydrophobicContact CB-CE1 3.9Å; A739-Y742 HydrophobicContact CB-CE2 4.46Å; P740-Y742 HydrophobicContact CB-CE2 4.36Å; P740-Y742 WeakPolarHBondContact O-CD2 3.23Å; P740-Y742 WeakPolarHBondContact O-CE2 3.47Å; P740-Y742 PolarHBondContact O-N 3.42Å; Y742-I755 WeakPolarHBondContact O-CB 3.29Å; Y742-V759 HydrophobicContact CD2-CG1 4.37Å; Y742-S761 WeakPolarHBondContact OH-CA 3.45Å; Y742-M762 HydrophobicContact CD1-CB 4.01Å; Y742-M762 HydrophobicContact CD2-CB 4.23Å; Y742-M762 HydrophobicContact CE1-CB 4.2Å; Y742-M762 HydrophobicContact CE2-CB 4.44Å; Y742-M762 HydrophobicContact CG-CB 4.03Å
743	R	89.4	Confident	86.8	Confident	36 Å²	36	34.3 Å²	34.3	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.1	170.6	-65.5	-178.7	180	164.9	3	110.7	G678 G680 D735 F752 L753	G678-R743 PolarHBondContact O-NH2 2.92Å; G680-R743 PolarHBondContact O-NH1 3.03Å; D735-R743 HydrophobicContact CB-CB 4.44Å; D735-R743 PolarHBondContact N-O 3.29Å; D735-R743 PolarHBondContact O-N 2.82Å; D735-R743 VanDerWaalsContact O-N 3.16Å; R743-F752 HydrophobicContact CG-CD2 4.45Å; R743-L753 WeakPolarHBondContact CA-O 3.24Å
744	L	90.5	Very high	86.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	105.7	162.3	-55	-179.6	0	0	0	108.3	V721 L732 V733 L734 F752 L753 I755 M762 F806 F815	V721-L744 HydrophobicContact CB-CD1 4.3Å; V721-L744 HydrophobicContact CB-CD2 4.47Å; V721-L744 HydrophobicContact CG1-CD1 4.06Å; V721-L744 HydrophobicContact CG2-CD1 4.38Å; V721-L744 HydrophobicContact CG2-CD2 3.77Å; L732-L744 HydrophobicContact CB-CB 4.21Å; V733-L744 CarbonylContact O-C 3.56Å; V733-L744 WeakPolarHBondContact O-CA 3.42Å; L734-L744 HydrophobicContact CB-CD2 3.88Å; L734-L744 HydrophobicContact CD1-CD2 3.76Å; L734-L744 HydrophobicContact CG-CD2 4.44Å; L744-F752 CarbonylContact O-C 3.55Å; L744-F752 WeakPolarHBondContact O-CA 3.46Å; L744-F752 WeakPolarHBondContact O-CB 3.49Å; L744-L753 HydrophobicContact CB-CB 4.03Å; L744-L753 HydrophobicContact CB-CD1 4.2Å; L744-L753 HydrophobicContact CB-CG 4.37Å; L744-L753 HydrophobicContact CD1-CD1 3.78Å; L744-L753 HydrophobicContact CG-CD1 4.45Å; L744-L753 PolarHBondContact N-O 3.31Å; L744-L753 PolarHBondContact O-N 2.96Å; L744-I755 HydrophobicContact CD2-CD1 4.44Å; L744-I755 HydrophobicContact CG-CD1 4.2Å; L744-M762 HydrophobicContact CD1-CE 4.49Å; L744-M762 HydrophobicContact CD2-CE 3.89Å; L744-F806 HydrophobicContact CD1-CZ 3.9Å; L744-F815 HydrophobicContact CD1-CD1 4.2Å; L744-F815 HydrophobicContact CD1-CE1 4.08Å
745	N	89.3	Confident	86.3	Confident	21 Å²	21	36.2 Å²	36.2	11%	0.112	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.6	-178.7	-65.2	-65.2	0	0	0	110.2	V733 D735 N747 F752	V733-N745 PolarHBondContact N-O 2.94Å; V733-N745 PolarHBondContact O-N 3.35Å; D735-N745 WeakPolarHBondContact CB-ND2 3.38Å; D735-N745 VanDerWaalsContact CG-ND2 3.35Å; D735-N745 PolarHBondContact OD2-ND2 2.84Å; N745-N747 PolarHBondContact O-N 3.22Å; N745-F752 HydrophobicContact CB-CB 4.43Å; N745-F752 WeakPolarHBondContact OD1-CB 3.38Å
746	C	89.9	Confident	86.1	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	131	167.3	-178.3	0	0	0	0	109.7	C724 I731 L732 R748 C749 T751	C724-C746 HydrophobicContact CB-CB 4.34Å; I731-C746 WeakPolarHBondContact O-CA 3.41Å; L732-C746 HydrophobicContact CD2-CB 4.25Å; C746-R748 PolarHBondContact O-N 2.85Å; C746-R748 PolarHBondContact SG-N 3.23Å; C746-C749 PolarHBondContact SG-N 3.04Å; C746-C749 VanDerWaalsContact SG-N 3.36Å; C746-C749 PolarHBondContact SG-SG 3.17Å; C746-T751 WeakPolarHBondContact CB-O 3.21Å; C746-T751 PolarHBondContact N-O 2.82Å
747	N	88.7	Confident	85.9	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.223	C	C	.	.	S	Bend	trans	-72.7	-16.7	176.4	67.1	-5.9	0	0	0	112.7	N705 R706 I731 V733 N745	N705-N747 HydrophobicContact CB-CB 4.48Å; N705-N747 WeakPolarHBondContact O-CB 3.22Å; N705-N747 PolarHBondContact O-ND2 3.04Å; R706-N747 HydrophobicContact CG-CB 4.14Å; R706-N747 PolarHBondContact NE-O 3.05Å; R706-N747 PolarHBondContact NH2-O 3.21Å; I731-N747 PolarHBondContact N-OD1 2.75Å; I731-N747 PolarHBondContact O-N 3Å; I731-N747 PolarHBondContact O-OD1 3.13Å; V733-N747 HydrophobicContact CG2-CB 4.13Å; N745-N747 PolarHBondContact O-N 3.22Å
748	R	87.4	Confident	86	Confident	137 Å²	137	40.7 Å²	40.7	52%	0.517	22%	0.22	S	C	.	.	S	Bend	trans	-106.4	-48.3	-177.2	-66.8	-162.4	-169.1	-149.4	2.6	116	Y729 C746	Y729-R748 VanDerWaalsContact O-CD 3.22Å; Y729-R748 WeakPolarHBondContact O-CD 3.39Å; Y729-R748 PolarHBondContact O-NE 3.13Å; C746-R748 PolarHBondContact O-N 2.85Å; C746-R748 PolarHBondContact SG-N 3.23Å
749	C	85.9	Confident	86.3	Confident	24 Å²	24	38.5 Å²	38.5	16%	0.162	21%	0.209	C	C	.	.	S	Bend	trans	-111.4	174.9	-176.8	74.2	0	0	0	0	111.9	C727 C746 T751	C727-C749 HydrophobicContact CB-CB 4.3Å; C727-C749 VanDerWaalsContact SG-SG 3.67Å; C746-C749 PolarHBondContact SG-N 3.04Å; C746-C749 VanDerWaalsContact SG-N 3.36Å; C746-C749 PolarHBondContact SG-SG 3.17Å; C749-T751 PolarHBondContact O-N 3.49Å; C749-T751 VanDerWaalsContact SG-CB 3.59Å; C749-T751 PolarHBondContact SG-OG1 3.4Å
750	P	82.7	Confident	86.6	Confident	49 Å²	49	42.6 Å²	42.6	32%	0.318	22%	0.217	S	C	.	.	S	Bend	trans	-72	-1	179.4	-19.8	33.4	0	0	0	116.4	K820 E822	P750-K820 HydrophobicContact CB-CB 4.04Å; P750-E822 HydrophobicContact CG-CG 3.75Å
751	T	85.6	Confident	87.1	Confident	11 Å²	11	40.3 Å²	40.3	7%	0.067	20%	0.202	C	C	.	.			trans	-68.4	137.8	-178.8	-60.8	0	0	0	0	111.7	D726 C746 C749	D726-T751 WeakPolarHBondContact CB-OG1 3.49Å; D726-T751 WeakPolarHBondContact OD2-CB 3.29Å; D726-T751 WeakPolarHBondContact OD2-CG2 3.4Å; D726-T751 PolarHBondContact OD2-OG1 2.99Å; C746-T751 WeakPolarHBondContact CB-O 3.21Å; C746-T751 PolarHBondContact N-O 2.82Å; C749-T751 PolarHBondContact O-N 3.49Å; C749-T751 VanDerWaalsContact SG-CB 3.59Å; C749-T751 PolarHBondContact SG-OG1 3.4Å
752	F	87.7	Confident	87.4	Confident	18 Å²	18	34.8 Å²	34.8	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.6	169.6	68.9	-84.7	0	0	0	112.1	R743 L744 N745 V818 K820	R743-F752 HydrophobicContact CG-CD2 4.45Å; L744-F752 CarbonylContact O-C 3.55Å; L744-F752 WeakPolarHBondContact O-CA 3.46Å; L744-F752 WeakPolarHBondContact O-CB 3.49Å; N745-F752 HydrophobicContact CB-CB 4.43Å; N745-F752 WeakPolarHBondContact OD1-CB 3.38Å; F752-V818 HydrophobicContact CD1-CB 4.27Å; F752-V818 HydrophobicContact CD2-CB 4.24Å; F752-V818 HydrophobicContact CE1-CB 3.76Å; F752-V818 HydrophobicContact CE1-CG1 3.64Å; F752-V818 HydrophobicContact CE2-CB 3.73Å; F752-V818 HydrophobicContact CE2-CG1 4.18Å; F752-V818 HydrophobicContact CE2-CG2 3.89Å; F752-V818 HydrophobicContact CG-CB 4.5Å; F752-V818 HydrophobicContact CZ-CB 3.48Å; F752-V818 VanDerWaalsContact CZ-CB 3.48Å; F752-V818 HydrophobicContact CZ-CG1 3.43Å; F752-V818 VanDerWaalsContact CZ-CG1 3.43Å; F752-V818 HydrophobicContact CZ-CG2 3.99Å; F752-V818 PolarHBondContact N-O 2.78Å; F752-V818 PolarHBondContact O-N 2.86Å; F752-K820 HydrophobicContact CE1-CD 4.47Å; F752-K820 HydrophobicContact CE1-CG 4.45Å
753	L	88.4	Confident	87.6	Confident	11 Å²	11	36.1 Å²	36.1	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.4	168.5	-59.2	173.8	0	0	0	108.9	L732 R743 L744 F806 F815 T816 I817	L732-L753 HydrophobicContact CD1-CD1 3.74Å; L732-L753 HydrophobicContact CD1-CG 4.28Å; R743-L753 WeakPolarHBondContact CA-O 3.24Å; L744-L753 HydrophobicContact CB-CB 4.03Å; L744-L753 HydrophobicContact CB-CD1 4.2Å; L744-L753 HydrophobicContact CB-CG 4.37Å; L744-L753 HydrophobicContact CD1-CD1 3.78Å; L744-L753 HydrophobicContact CG-CD1 4.45Å; L744-L753 PolarHBondContact N-O 3.31Å; L744-L753 PolarHBondContact O-N 2.96Å; L753-F806 HydrophobicContact CD1-CE1 3.99Å; L753-F806 HydrophobicContact CD1-CZ 4.26Å; L753-F815 HydrophobicContact CD1-CB 4.38Å; L753-F815 HydrophobicContact CD1-CD1 4.4Å; L753-T816 CarbonylContact C-O 3.57Å; L753-T816 WeakPolarHBondContact CA-O 3.41Å; L753-I817 HydrophobicContact CD2-CB 4.03Å; L753-I817 HydrophobicContact CD2-CD1 4.42Å; L753-I817 HydrophobicContact CD2-CG1 3.22Å
754	S	86.4	Confident	87.8	Confident	45 Å²	45	35.7 Å²	35.7	32%	0.315	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.1	164.9	-166.5	0	0	0	0	108.7	F815 T816	S754-F815 WeakPolarHBondContact O-CA 3.47Å; S754-T816 PolarHBondContact N-O 2.85Å; S754-T816 PolarHBondContact O-N 3.1Å
755	I	88.3	Confident	87.9	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.4	177.5	-61.1	162.1	0	0	0	108.5	Y742 L744 V759 M762 L814 F815	Y742-I755 WeakPolarHBondContact O-CB 3.29Å; L744-I755 HydrophobicContact CD2-CD1 4.44Å; L744-I755 HydrophobicContact CG-CD1 4.2Å; I755-V759 HydrophobicContact CG2-CB 3.96Å; I755-V759 HydrophobicContact CG2-CG1 4.47Å; I755-V759 HydrophobicContact CG2-CG2 3.65Å; I755-M762 HydrophobicContact CD1-CE 4.13Å; I755-M762 HydrophobicContact CD1-SD 3.39Å; I755-M762 WeakPolarHBondContact CD1-SD 3.39Å; I755-L814 CarbonylContact C-O 3.52Å; I755-L814 WeakPolarHBondContact CA-O 3.11Å; I755-F815 HydrophobicContact CD1-CD1 4.46Å; I755-F815 HydrophobicContact CD1-CE1 4.08Å; I755-F815 HydrophobicContact CG1-CD1 3.73Å; I755-F815 HydrophobicContact CG1-CE1 3.75Å
756	S	85.4	Confident	87.8	Confident	48 Å²	48	45.6 Å²	45.6	34%	0.336	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-53	140.5	176.9	179.6	0	0	0	0	112.6	S758 V759 L814	S756-S758 PolarHBondContact O-N 3.28Å; S756-S758 PolarHBondContact OG-N 3.01Å; S756-S758 PolarHBondContact OG-OG 3.49Å; S756-V759 PolarHBondContact O-N 2.95Å; S756-V759 VanDerWaalsContact O-N 3.08Å; S756-L814 PolarHBondContact N-O 2.82Å
757	D	83.4	Confident	87.8	Confident	95 Å²	95	49 Å²	49	51%	0.508	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-5	174.3	-75.8	-22.2	0	0	0	113	V759	D757-V759 VanDerWaalsContact C-N 3.29Å
758	S	84	Confident	87.8	Confident	3 Å²	3	52 Å²	52	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16	170.9	65.6	0	0	0	0	113.5	S756 K760 F781 D782 K785	S756-S758 PolarHBondContact O-N 3.28Å; S756-S758 PolarHBondContact OG-N 3.01Å; S756-S758 PolarHBondContact OG-OG 3.49Å; S758-K760 PolarHBondContact O-N 3.07Å; S758-F781 CarbonylContact O-C 3.42Å; S758-F781 VanDerWaalsContact O-CA 3.29Å; S758-F781 WeakPolarHBondContact O-CA 3.43Å; S758-D782 PolarHBondContact O-N 3.39Å; S758-K785 WeakPolarHBondContact CB-O 3.3Å
759	V	87.8	Confident	87.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.8	177.8	-179.2	0	0	0	0	110.1	Y742 I755 S756 D757 M762 L779 F781 L814	Y742-V759 HydrophobicContact CD2-CG1 4.37Å; I755-V759 HydrophobicContact CG2-CB 3.96Å; I755-V759 HydrophobicContact CG2-CG1 4.47Å; I755-V759 HydrophobicContact CG2-CG2 3.65Å; S756-V759 PolarHBondContact O-N 2.95Å; S756-V759 VanDerWaalsContact O-N 3.08Å; D757-V759 VanDerWaalsContact C-N 3.29Å; V759-M762 HydrophobicContact CG1-CB 4.13Å; V759-L779 HydrophobicContact CG1-CD2 4.19Å; V759-F781 HydrophobicContact CG2-CD1 4.18Å; V759-F781 HydrophobicContact CG2-CE1 3.92Å; V759-L814 HydrophobicContact CG2-CD1 4.43Å
760	K	86.5	Confident	88.1	Confident	138 Å²	138	50.6 Å²	50.6	60%	0.6	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	-39.7	178.5	-175.1	175.8	-178.3	174.7	0	112.5	S758 R780	S758-K760 PolarHBondContact O-N 3.07Å; K760-R780 WeakPolarHBondContact CA-O 3.45Å; K760-R780 WeakPolarHBondContact CB-O 3.32Å; K760-R780 PolarHBondContact N-O 3.22Å
761	S	89.6	Confident	88.4	Confident	39 Å²	39	53.9 Å²	53.9	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.7	175.5	67.4	0	0	0	0	112.2	Y742 R780	Y742-S761 WeakPolarHBondContact OH-CA 3.45Å; S761-R780 PolarHBondContact N-O 3.22Å; S761-R780 PolarHBondContact O-N 2.96Å; S761-R780 WeakPolarHBondContact OG-CB 3.36Å; S761-R780 WeakPolarHBondContact OG-CD 3.12Å; S761-R780 WeakPolarHBondContact OG-CG 3.26Å
762	M	91.4	Very high	88.4	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.069	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.8	-178.9	178.7	168.3	179.3	0	0	111	L734 Y742 L744 I755 V759 L777 N778 L779 F815	L734-M762 HydrophobicContact CD1-CE 3.95Å; L734-M762 HydrophobicContact CD1-CG 3.99Å; L734-M762 HydrophobicContact CD1-SD 3.71Å; L734-M762 HydrophobicContact CD2-CG 4.06Å; Y742-M762 HydrophobicContact CD1-CB 4.01Å; Y742-M762 HydrophobicContact CD2-CB 4.23Å; Y742-M762 HydrophobicContact CE1-CB 4.2Å; Y742-M762 HydrophobicContact CE2-CB 4.44Å; Y742-M762 HydrophobicContact CG-CB 4.03Å; L744-M762 HydrophobicContact CD1-CE 4.49Å; L744-M762 HydrophobicContact CD2-CE 3.89Å; I755-M762 HydrophobicContact CD1-CE 4.13Å; I755-M762 HydrophobicContact CD1-SD 3.39Å; I755-M762 WeakPolarHBondContact CD1-SD 3.39Å; V759-M762 HydrophobicContact CG1-CB 4.13Å; M762-L777 HydrophobicContact CE-CB 4.44Å; M762-L777 HydrophobicContact CE-CD1 3.37Å; M762-L777 HydrophobicContact CE-CD2 3.45Å; M762-L777 VanDerWaalsContact CE-CD2 3.45Å; M762-L777 HydrophobicContact CE-CG 3.89Å; M762-N778 VanDerWaalsContact CA-O 3.32Å; M762-N778 WeakPolarHBondContact CA-O 3.31Å; M762-L779 HydrophobicContact CB-CD2 3.99Å; M762-L779 HydrophobicContact CE-CD2 4.32Å; M762-L779 HydrophobicContact CG-CD2 3.61Å; M762-L779 HydrophobicContact SD-CD2 3.83Å; M762-F815 HydrophobicContact CE-CE1 4.23Å
763	S	92.2	Very high	88.5	Confident	55 Å²	55	59.3 Å²	59.3	39%	0.385	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	156	169.9	54.1	0	0	0	0	111.3	L777 N778	S763-L777 WeakPolarHBondContact O-CA 3.5Å; S763-N778 PolarHBondContact N-O 2.85Å; S763-N778 PolarHBondContact O-N 3.39Å; S763-N778 WeakPolarHBondContact OG-CB 3.39Å
764	V	92.8	Very high	88.5	Confident	27 Å²	27	58.8 Å²	58.8	16%	0.164	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.3	179.3	-172.2	0	0	0	0	109.7	L719 V721 L734 M775 L777	L719-V764 HydrophobicContact CD2-CG2 4.48Å; V721-V764 HydrophobicContact CG2-CG1 4.48Å; V721-V764 HydrophobicContact CG2-CG2 3.7Å; L734-V764 HydrophobicContact CB-CG2 3.94Å; L734-V764 HydrophobicContact CD2-CG2 3.84Å; V764-M775 HydrophobicContact CG1-CB 3.64Å; V764-M775 HydrophobicContact CG1-CG 4.26Å; V764-L777 HydrophobicContact CB-CD2 4.46Å; V764-L777 HydrophobicContact CG2-CD2 4Å
765	K	91.6	Very high	88.8	Confident	73 Å²	73	59.3 Å²	59.3	32%	0.317	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	150	172.6	-62.9	-176.4	79.2	171.5	0	110.3	V767 H776 N778 S802	K765-V767 PolarHBondContact O-N 3.06Å; K765-H776 HydrophobicContact CB-CB 4.08Å; K765-H776 WeakPolarHBondContact CB-O 3.44Å; K765-H776 HydrophobicContact CD-CB 4.12Å; K765-H776 HydrophobicContact CG-CB 4.47Å; K765-H776 PolarHBondContact N-O 2.73Å; K765-N778 WeakPolarHBondContact CD-OD1 3.38Å; K765-S802 WeakPolarHBondContact CD-OG 3.38Å; K765-S802 PolarHBondContact NZ-OG 3.39Å
766	N	87.5	Confident	89.1	Confident	155 Å²	155	61 Å²	61	83%	0.829	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	51.5	172.3	-164.9	18.8	0	0	0	112.1
767	V	90.6	Very high	89.4	Confident	75 Å²	75	58.7 Å²	58.7	46%	0.455	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	120.5	177.3	-179.7	0	0	0	0	107.8	K765 H776	K765-V767 PolarHBondContact O-N 3.06Å; V767-H776 WeakPolarHBondContact O-CB 3.41Å; V767-H776 PolarHBondContact O-N 3.02Å
768	S	89.5	Confident	89.9	Confident	65 Å²	65	56.9 Å²	56.9	46%	0.455	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.2	176.9	57	0	0	0	0	112.2
769	C	89.4	Confident	90.2	Very high	8 Å²	8	56.8 Å²	56.8	5%	0.054	33%	0.327	C	S	.	.			trans	-65	131.2	170.4	-174.9	0	0	0	0	110.9	V771 T773 A774 C804 C807	C769-V771 PolarHBondContact O-N 2.87Å; C769-V771 PolarHBondContact SG-N 2.77Å; C769-V771 VanDerWaalsContact SG-N 3.45Å; C769-T773 WeakPolarHBondContact O-CA 3.42Å; C769-T773 PolarHBondContact O-N 2.8Å; C769-A774 WeakPolarHBondContact CB-O 3.44Å; C769-A774 PolarHBondContact N-O 3.32Å; C769-C804 HydrophobicContact CB-CB 3.63Å; C769-C804 VanDerWaalsContact CB-SG 3.56Å; C769-C804 VanDerWaalsContact SG-CB 3.55Å; C769-C804 VanDerWaalsContact SG-SG 3.61Å; C769-C807 VanDerWaalsContact SG-SG 3.64Å
770	S	89.2	Confident	90.3	Very high	125 Å²	125	64.2 Å²	64.2	87%	0.874	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.3	176.3	53.6	0	0	0	0	114
771	V	88.7	Confident	90.2	Very high	118 Å²	118	58 Å²	58	72%	0.715	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-58.8	-177.3	-178.1	0	0	0	0	111.8	C769	C769-V771 PolarHBondContact O-N 2.87Å; C769-V771 PolarHBondContact SG-N 2.77Å; C769-V771 VanDerWaalsContact SG-N 3.45Å
772	C	86.8	Confident	89.8	Confident	40 Å²	40	58.8 Å²	58.8	27%	0.27	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-0.1	-175	68.7	0	0	0	0	114.6	A774 C804 C807	C772-A774 PolarHBondContact O-N 2.79Å; C772-C804 PolarHBondContact SG-SG 3.32Å; C772-C807 PolarHBondContact SG-SG 2.81Å
773	T	88.1	Confident	88.9	Confident	102 Å²	102	62.7 Å²	62.7	63%	0.626	36%	0.356	S	S	*	.			trans	66.9	-8.6	-178.3	72.4	0	0	0	0	116.7	C769	C769-T773 WeakPolarHBondContact O-CA 3.42Å; C769-T773 PolarHBondContact O-N 2.8Å
774	A	89.9	Confident	87.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.9	145.2	173.7	0	0	0	0	0	112.3	V721 D722 C769 C772 F806	V721-A774 CarbonylContact O-C 3.18Å; V721-A774 VanDerWaalsContact O-CA 3.3Å; V721-A774 WeakPolarHBondContact O-CA 3.36Å; D722-A774 HydrophobicContact CB-CB 3.87Å; C769-A774 WeakPolarHBondContact CB-O 3.44Å; C769-A774 PolarHBondContact N-O 3.32Å; C772-A774 PolarHBondContact O-N 2.79Å; A774-F806 HydrophobicContact CB-CD2 3.62Å; A774-F806 HydrophobicContact CB-CE2 4.04Å
775	M	92.9	Very high	86.8	Confident	56 Å²	56	67.7 Å²	67.7	28%	0.276	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	139.4	175.6	-65.1	-61.5	141.9	0	0	111.4	G720 V721 V764	G720-M775 WeakPolarHBondContact O-CG 3.39Å; V721-M775 PolarHBondContact O-N 3.25Å; V764-M775 HydrophobicContact CG1-CB 3.64Å; V764-M775 HydrophobicContact CG1-CG 4.26Å
776	H	93.2	Very high	85.5	Confident	42 Å²	42	65.7 Å²	65.7	19%	0.194	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.5	174.5	-74.2	-170	0	0	0	110.6	K765 V767 G803 C804	K765-H776 HydrophobicContact CB-CB 4.08Å; K765-H776 WeakPolarHBondContact CB-O 3.44Å; K765-H776 HydrophobicContact CD-CB 4.12Å; K765-H776 HydrophobicContact CG-CB 4.47Å; K765-H776 PolarHBondContact N-O 2.73Å; V767-H776 WeakPolarHBondContact O-CB 3.41Å; V767-H776 PolarHBondContact O-N 3.02Å; H776-G803 CarbonylContact C-O 3.6Å; H776-G803 VanDerWaalsContact CA-O 3.32Å; H776-G803 WeakPolarHBondContact CA-O 3.15Å; H776-C804 PolarHBondContact CD2-N 2.84Å
777	L	93	Very high	83.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141	-179	-62.1	171.7	0	0	0	109.7	V721 M762 S763 V764 L779 S802 G803 A805 F806 F815	V721-L777 HydrophobicContact CG1-CD1 4.34Å; V721-L777 HydrophobicContact CG1-CD2 4.13Å; V721-L777 HydrophobicContact CG1-CG 4.49Å; V721-L777 HydrophobicContact CG2-CD2 4.04Å; M762-L777 HydrophobicContact CE-CB 4.44Å; M762-L777 HydrophobicContact CE-CD1 3.37Å; M762-L777 HydrophobicContact CE-CD2 3.45Å; M762-L777 VanDerWaalsContact CE-CD2 3.45Å; M762-L777 HydrophobicContact CE-CG 3.89Å; S763-L777 WeakPolarHBondContact O-CA 3.5Å; V764-L777 HydrophobicContact CB-CD2 4.46Å; V764-L777 HydrophobicContact CG2-CD2 4Å; L777-L779 HydrophobicContact CB-CD2 4.26Å; L777-L779 HydrophobicContact CB-CG 4.35Å; L777-S802 WeakPolarHBondContact O-CA 3.19Å; L777-G803 PolarHBondContact N-O 3.44Å; L777-G803 PolarHBondContact O-N 2.64Å; L777-G803 VanDerWaalsContact O-N 3.11Å; L777-A805 HydrophobicContact CD1-CB 3.84Å; L777-F806 HydrophobicContact CD1-CE2 4.39Å; L777-F815 HydrophobicContact CD1-CE1 4.42Å; L777-F815 HydrophobicContact CD1-CZ 3.99Å
778	N	93	Very high	82	Confident	57 Å²	57	65 Å²	65	31%	0.305	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115	164.2	-74.9	-36.1	0	0	0	108.3	M762 S763 K765 F801 S802	M762-N778 VanDerWaalsContact CA-O 3.32Å; M762-N778 WeakPolarHBondContact CA-O 3.31Å; S763-N778 PolarHBondContact N-O 2.85Å; S763-N778 PolarHBondContact O-N 3.39Å; S763-N778 WeakPolarHBondContact OG-CB 3.39Å; K765-N778 WeakPolarHBondContact CD-OD1 3.38Å; N778-F801 CarbonylContact C-O 3.55Å; N778-F801 WeakPolarHBondContact CA-O 3.3Å; N778-S802 VanDerWaalsContact OD1-CB 3.27Å; N778-S802 WeakPolarHBondContact OD1-CB 3.41Å; N778-S802 PolarHBondContact OD1-OG 2.96Å
779	L	90.8	Very high	79.9	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.1	178.3	-53.8	177.1	0	0	0	109.5	V759 M762 L777 F781 T800 F801 A805	V759-L779 HydrophobicContact CG1-CD2 4.19Å; M762-L779 HydrophobicContact CB-CD2 3.99Å; M762-L779 HydrophobicContact CE-CD2 4.32Å; M762-L779 HydrophobicContact CG-CD2 3.61Å; M762-L779 HydrophobicContact SD-CD2 3.83Å; L777-L779 HydrophobicContact CB-CD2 4.26Å; L777-L779 HydrophobicContact CB-CG 4.35Å; L779-F781 HydrophobicContact CB-CE1 4.3Å; L779-F781 HydrophobicContact CB-CE2 4.09Å; L779-F781 HydrophobicContact CB-CZ 3.75Å; L779-F781 HydrophobicContact CD1-CE1 4.36Å; L779-F781 HydrophobicContact CD1-CZ 3.87Å; L779-F781 HydrophobicContact CG-CZ 4.47Å; L779-T800 CarbonylContact O-C 3.54Å; L779-T800 VanDerWaalsContact O-CA 3.3Å; L779-T800 WeakPolarHBondContact O-CA 3.41Å; L779-F801 HydrophobicContact CB-CB 4.32Å; L779-F801 HydrophobicContact CD1-CD1 3.99Å; L779-F801 HydrophobicContact CG-CD1 4.19Å; L779-F801 PolarHBondContact N-O 2.63Å; L779-F801 PolarHBondContact O-N 3.04Å; L779-A805 HydrophobicContact CD1-CB 4.29Å
780	R	88.9	Confident	77.4	Confident	159 Å²	159	70.1 Å²	70.1	60%	0.6	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.3	163.2	-57.6	-170.8	170.7	167.5	-3.8	108.6	K760 S761 T799 T800	K760-R780 WeakPolarHBondContact CA-O 3.45Å; K760-R780 WeakPolarHBondContact CB-O 3.32Å; K760-R780 PolarHBondContact N-O 3.22Å; S761-R780 PolarHBondContact N-O 3.22Å; S761-R780 PolarHBondContact O-N 2.96Å; S761-R780 WeakPolarHBondContact OG-CB 3.36Å; S761-R780 WeakPolarHBondContact OG-CD 3.12Å; S761-R780 WeakPolarHBondContact OG-CG 3.26Å; R780-T799 WeakPolarHBondContact CA-O 3.31Å; R780-T800 HydrophobicContact CG-CG2 3.96Å
781	F	85.7	Confident	74.8	Confident	8 Å²	8	72.5 Å²	72.5	4%	0.035	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	150.1	-177.3	-57.3	-78.1	0	0	0	111.5	S758 V759 L779 P783 V786 I797 N798 T799 F801 L811 L814	S758-F781 CarbonylContact O-C 3.42Å; S758-F781 VanDerWaalsContact O-CA 3.29Å; S758-F781 WeakPolarHBondContact O-CA 3.43Å; V759-F781 HydrophobicContact CG2-CD1 4.18Å; V759-F781 HydrophobicContact CG2-CE1 3.92Å; L779-F781 HydrophobicContact CB-CE1 4.3Å; L779-F781 HydrophobicContact CB-CE2 4.09Å; L779-F781 HydrophobicContact CB-CZ 3.75Å; L779-F781 HydrophobicContact CD1-CE1 4.36Å; L779-F781 HydrophobicContact CD1-CZ 3.87Å; L779-F781 HydrophobicContact CG-CZ 4.47Å; F781-P783 WeakPolarHBondContact O-CD 3.38Å; F781-V786 HydrophobicContact CB-CG2 3.88Å; F781-I797 HydrophobicContact CD2-CG2 3.76Å; F781-I797 HydrophobicContact CE2-CG2 3.52Å; F781-I797 HydrophobicContact CG-CG2 4.44Å; F781-I797 HydrophobicContact CZ-CG2 4.03Å; F781-N798 WeakPolarHBondContact CD2-O 2.95Å; F781-T799 PolarHBondContact N-O 2.83Å; F781-F801 HydrophobicContact CE2-CB 3.97Å; F781-F801 HydrophobicContact CZ-CB 4.43Å; F781-L811 HydrophobicContact CE1-CD2 4.32Å; F781-L811 HydrophobicContact CE2-CD2 4.37Å; F781-L811 HydrophobicContact CZ-CD2 3.64Å; F781-L814 HydrophobicContact CE1-CD1 3.54Å; F781-L814 HydrophobicContact CZ-CD1 4.05Å
782	D	80.5	Confident	72.4	Confident	55 Å²	55	74.1 Å²	74.1	29%	0.294	42%	0.417	S	S	.	.			trans	-73.1	116	166.7	-174.6	-11.8	0	0	0	108.5	S758 G784 K785 V786	S758-D782 PolarHBondContact O-N 3.39Å; D782-G784 PolarHBondContact O-N 2.55Å; D782-G784 PolarHBondContact OD1-N 3.29Å; D782-K785 HydrophobicContact CB-CB 4.23Å; D782-K785 HydrophobicContact CB-CD 4.43Å; D782-K785 HydrophobicContact CB-CG 4.41Å; D782-K785 PolarHBondContact O-N 3.45Å; D782-V786 WeakPolarHBondContact O-CG2 3.39Å; D782-V786 PolarHBondContact O-N 3.02Å
783	P	72.1	Confident	70.2	Confident	96 Å²	96	81 Å²	81	62%	0.623	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.5	-176.2	-24.6	33.2	0	0	0	113.8	F781	F781-P783 WeakPolarHBondContact O-CD 3.38Å
784	G	70.8	Confident	68.1	Low	71 Å²	71	79.1 Å²	79.1	73%	0.732	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4	179.6	0	0	0	0	0	115.2	D782	D782-G784 PolarHBondContact O-N 2.55Å; D782-G784 PolarHBondContact OD1-N 3.29Å
785	K	71.1	Confident	66.2	Low	116 Å²	116	86.5 Å²	86.5	50%	0.504	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	7.2	-175.2	-59.9	-177.5	-176.5	175.6	0	113.6	S758 D782	S758-K785 WeakPolarHBondContact CB-O 3.3Å; D782-K785 HydrophobicContact CB-CB 4.23Å; D782-K785 HydrophobicContact CB-CD 4.43Å; D782-K785 HydrophobicContact CB-CG 4.41Å; D782-K785 PolarHBondContact O-N 3.45Å
786	V	63.1	Low	64.3	Low	31 Å²	31	93.2 Å²	93.2	19%	0.188	51%	0.505	C	S	.	.			trans	-62.7	126	173.5	-172.3	0	0	0	0	107.7	F781 D782 N788 I797	F781-V786 HydrophobicContact CB-CG2 3.88Å; D782-V786 WeakPolarHBondContact O-CG2 3.39Å; D782-V786 PolarHBondContact O-N 3.02Å; V786-N788 PolarHBondContact O-N 3.32Å; V786-I797 HydrophobicContact CG1-CB 4.13Å; V786-I797 HydrophobicContact CG1-CG2 4.39Å
787	P	55.1	Low	62.7	Low	65 Å²	65	93 Å²	93	42%	0.422	51%	0.505	S	S	.	.			trans	-64.8	104.4	173.4	23.1	-27.4	0	0	0	108.3	S789 I797	P787-S789 PolarHBondContact O-N 3.2Å; P787-S789 VanDerWaalsContact O-N 3.11Å; P787-I797 HydrophobicContact CG-CD1 4.4Å
788	N	51.2	Low	61.4	Low	151 Å²	151	98.8 Å²	98.8	81%	0.807	54%	0.536	S	S	*	.			trans	-68	103	165.3	-80.6	-19.2	0	0	0	106.9	V786 S790	V786-N788 PolarHBondContact O-N 3.32Å; N788-S790 VanDerWaalsContact C-N 3.28Å; N788-S790 PolarHBondContact O-N 2.67Å
789	S	44.4	Very low	60.6	Low	75 Å²	75	100.3 Å²	100.3	52%	0.524	55%	0.547	S	S	.	.			trans	-70.9	90.9	163.7	47.7	0	0	0	0	108.2	P787 S794	P787-S789 PolarHBondContact O-N 3.2Å; P787-S789 VanDerWaalsContact O-N 3.11Å; S789-S794 PolarHBondContact OG-OG 2.79Å; S789-S794 VanDerWaalsContact OG-OG 3.1Å
790	S	37.3	Very low	60.3	Low	104 Å²	104	104 Å²	104	73%	0.727	57%	0.57	S	S	*	*			trans	-66.6	130.8	160.5	48.7	0	0	0	0	109.1	N788	N788-S790 VanDerWaalsContact C-N 3.28Å; N788-S790 PolarHBondContact O-N 2.67Å
791	E	34.9	Very low	60.2	Low	175 Å²	175	98.4 Å²	98.4	82%	0.818	55%	0.55	S	S	*	.	S	Bend	trans	84.1	115.1	169.2	-57.5	-177.3	169.6	0	0	117.2
792	N	37.8	Very low	60.4	Low	152 Å²	152	101.1 Å²	101.1	81%	0.813	57%	0.57	S	S	*	*	S	Bend	trans	74.8	101.5	170.1	-60.7	-23	0	0	0	118.3	S794	N792-S794 PolarHBondContact O-N 3.5Å
793	N	39.6	Very low	60.9	Low	186 Å²	186	99 Å²	99	100%	0.995	56%	0.56	S	S	*	*	S	Bend	trans	41.6	46.2	152.2	-89.2	0.4	0	0	0	118.5
794	S	45	Very low	61.8	Low	61 Å²	61	94.9 Å²	94.9	43%	0.427	53%	0.534	S	S	.	.			trans	-119.3	133.8	167.7	46.4	0	0	0	0	111.1	S789 N792 K796	S789-S794 PolarHBondContact OG-OG 2.79Å; S789-S794 VanDerWaalsContact OG-OG 3.1Å; N792-S794 PolarHBondContact O-N 3.5Å; S794-K796 PolarHBondContact O-N 3Å
795	E	49.2	Very low	62.5	Low	155 Å²	155	91.5 Å²	91.5	72%	0.724	50%	0.499	S	S	*	.			trans	-51.6	130.5	-174.8	-70	176.8	140.4	0	0	112.7	I797	E795-I797 PolarHBondContact O-N 2.89Å; E795-I797 VanDerWaalsContact O-N 3.09Å
796	K	54.3	Low	63.2	Low	198 Å²	198	88.1 Å²	88.1	86%	0.861	49%	0.485	S	S	*	.			trans	-53.8	117.3	168	-89.5	-179.2	175.7	176.2	0	109.1	S794 N798	S794-K796 PolarHBondContact O-N 3Å; K796-N798 PolarHBondContact O-N 2.81Å
797	I	59.3	Low	64.3	Low	38 Å²	38	89.7 Å²	89.7	20%	0.195	50%	0.496	C	S	.	.			trans	-67.4	106.6	173.3	-60.5	171.4	0	0	0	107.7	F781 V786 P787 E795 L811	F781-I797 HydrophobicContact CD2-CG2 3.76Å; F781-I797 HydrophobicContact CE2-CG2 3.52Å; F781-I797 HydrophobicContact CG-CG2 4.44Å; F781-I797 HydrophobicContact CZ-CG2 4.03Å; V786-I797 HydrophobicContact CG1-CB 4.13Å; V786-I797 HydrophobicContact CG1-CG2 4.39Å; P787-I797 HydrophobicContact CG-CD1 4.4Å; E795-I797 PolarHBondContact O-N 2.89Å; E795-I797 VanDerWaalsContact O-N 3.09Å; I797-L811 HydrophobicContact CD1-CD2 4Å; I797-L811 HydrophobicContact CG1-CD2 4.28Å; I797-L811 HydrophobicContact CG2-CD2 4.06Å
798	N	66.4	Low	65.7	Low	121 Å²	121	88.2 Å²	88.2	65%	0.647	49%	0.486	S	S	*	.			trans	-56.6	148.8	171.3	-78.8	-28.7	0	0	0	110.1	F781 K796 T800	F781-N798 WeakPolarHBondContact CD2-O 2.95Å; K796-N798 PolarHBondContact O-N 2.81Å; N798-T800 WeakPolarHBondContact CB-O 3.48Å; N798-T800 PolarHBondContact O-N 2.92Å
799	T	75.4	Confident	66.8	Low	89 Å²	89	89.6 Å²	89.6	55%	0.546	49%	0.488	S	S	.	.	S	Bend	trans	-55.5	-17.6	178.6	51.8	0	0	0	0	113.4	R780 F781	R780-T799 WeakPolarHBondContact CA-O 3.31Å; F781-T799 PolarHBondContact N-O 2.83Å
800	T	84.3	Confident	68.3	Low	79 Å²	79	87.7 Å²	87.7	49%	0.485	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	171	63.9	0	0	0	0	111.3	L779 R780 N798	L779-T800 CarbonylContact O-C 3.54Å; L779-T800 VanDerWaalsContact O-CA 3.3Å; L779-T800 WeakPolarHBondContact O-CA 3.41Å; R780-T800 HydrophobicContact CG-CG2 3.96Å; N798-T800 WeakPolarHBondContact CB-O 3.48Å; N798-T800 PolarHBondContact O-N 2.92Å
801	F	87.9	Confident	70.4	Confident	41 Å²	41	82.9 Å²	82.9	18%	0.18	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.1	171.7	169.9	-97.8	0	0	0	110.5	N778 L779 F781 G803 A805 T808 L811	N778-F801 CarbonylContact C-O 3.55Å; N778-F801 WeakPolarHBondContact CA-O 3.3Å; L779-F801 HydrophobicContact CB-CB 4.32Å; L779-F801 HydrophobicContact CD1-CD1 3.99Å; L779-F801 HydrophobicContact CG-CD1 4.19Å; L779-F801 PolarHBondContact N-O 2.63Å; L779-F801 PolarHBondContact O-N 3.04Å; F781-F801 HydrophobicContact CE2-CB 3.97Å; F781-F801 HydrophobicContact CZ-CB 4.43Å; F801-G803 VanDerWaalsContact CE1-C 3.49Å; F801-G803 VanDerWaalsContact CE1-O 3.3Å; F801-G803 WeakPolarHBondContact CE1-O 3.5Å; F801-A805 HydrophobicContact CE1-CB 4.02Å; F801-T808 HydrophobicContact CE2-CG2 4.38Å; F801-L811 HydrophobicContact CB-CD1 4.05Å; F801-L811 HydrophobicContact CD1-CD1 3.45Å; F801-L811 VanDerWaalsContact CD1-CD1 3.45Å; F801-L811 HydrophobicContact CD2-CD1 3.35Å; F801-L811 HydrophobicContact CE1-CD1 3.55Å; F801-L811 HydrophobicContact CE2-CD1 3.45Å; F801-L811 VanDerWaalsContact CE2-CD1 3.45Å; F801-L811 HydrophobicContact CG-CD1 3.32Å; F801-L811 HydrophobicContact CZ-CD1 3.55Å
802	S	89.5	Confident	72.4	Confident	65 Å²	65	77.2 Å²	77.2	46%	0.455	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	105.3	173.7	-166.2	0	0	0	0	109.1	K765 L777 N778	K765-S802 WeakPolarHBondContact CD-OG 3.38Å; K765-S802 PolarHBondContact NZ-OG 3.39Å; L777-S802 WeakPolarHBondContact O-CA 3.19Å; N778-S802 VanDerWaalsContact OD1-CB 3.27Å; N778-S802 WeakPolarHBondContact OD1-CB 3.41Å; N778-S802 PolarHBondContact OD1-OG 2.96Å
803	G	91	Very high	74.3	Confident	9 Å²	9	74.2 Å²	74.2	9%	0.093	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-168.3	-174.9	0	0	0	0	0	112.9	H776 L777 F801 A805	H776-G803 CarbonylContact C-O 3.6Å; H776-G803 VanDerWaalsContact CA-O 3.32Å; H776-G803 WeakPolarHBondContact CA-O 3.15Å; L777-G803 PolarHBondContact N-O 3.44Å; L777-G803 PolarHBondContact O-N 2.64Å; L777-G803 VanDerWaalsContact O-N 3.11Å; F801-G803 VanDerWaalsContact CE1-C 3.49Å; F801-G803 VanDerWaalsContact CE1-O 3.3Å; F801-G803 WeakPolarHBondContact CE1-O 3.5Å; G803-A805 PolarHBondContact O-N 3.04Å
804	C	89.6	Confident	76.4	Confident	10 Å²	10	65.7 Å²	65.7	7%	0.068	36%	0.364	C	S	.	.			trans	-79.8	105.2	175.5	-176.4	0	0	0	0	111.3	C769 C772 H776 F806 C807 T808	C769-C804 HydrophobicContact CB-CB 3.63Å; C769-C804 VanDerWaalsContact CB-SG 3.56Å; C769-C804 VanDerWaalsContact SG-CB 3.55Å; C769-C804 VanDerWaalsContact SG-SG 3.61Å; C772-C804 PolarHBondContact SG-SG 3.32Å; H776-C804 PolarHBondContact CD2-N 2.84Å; C804-F806 PolarHBondContact O-N 2.88Å; C804-C807 HydrophobicContact CB-CB 4.25Å; C804-C807 PolarHBondContact O-N 2.95Å; C804-T808 PolarHBondContact O-N 3.46Å; C804-T808 PolarHBondContact O-OG1 3.08Å
805	A	86.9	Confident	78.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.5	-178.7	0	0	0	0	0	113.7	L777 L779 F801 G803 L811 C812 F815	L777-A805 HydrophobicContact CD1-CB 3.84Å; L779-A805 HydrophobicContact CD1-CB 4.29Å; F801-A805 HydrophobicContact CE1-CB 4.02Å; G803-A805 PolarHBondContact O-N 3.04Å; A805-L811 HydrophobicContact CB-CB 4.43Å; A805-C812 PolarHBondContact O-N 2.83Å; A805-F815 HydrophobicContact CB-CE2 3.73Å; A805-F815 HydrophobicContact CB-CZ 3.96Å
806	F	85.4	Confident	80	Confident	46 Å²	46	60.5 Å²	60.5	20%	0.202	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-25	179.8	-58	-78.2	0	0	0	113.4	V721 L744 L753 A774 L777 C804 F815	V721-F806 HydrophobicContact CG1-CE2 3.55Å; V721-F806 HydrophobicContact CG1-CZ 4.01Å; L744-F806 HydrophobicContact CD1-CZ 3.9Å; L753-F806 HydrophobicContact CD1-CE1 3.99Å; L753-F806 HydrophobicContact CD1-CZ 4.26Å; A774-F806 HydrophobicContact CB-CD2 3.62Å; A774-F806 HydrophobicContact CB-CE2 4.04Å; L777-F806 HydrophobicContact CD1-CE2 4.39Å; C804-F806 PolarHBondContact O-N 2.88Å; F806-F815 HydrophobicContact CE1-CG 4.47Å
807	C	85.2	Confident	81.3	Confident	63 Å²	63	55.3 Å²	55.3	43%	0.426	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.9	174.9	-69.3	0	0	0	0	113.1	C769 C772 C804	C769-C807 VanDerWaalsContact SG-SG 3.64Å; C772-C807 PolarHBondContact SG-SG 2.81Å; C804-C807 HydrophobicContact CB-CB 4.25Å; C804-C807 PolarHBondContact O-N 2.95Å
808	T	84.6	Confident	82.1	Confident	34 Å²	34	55.8 Å²	55.8	21%	0.209	32%	0.324	C	S	.	.			trans	-94.9	106.8	174.8	-56.6	0	0	0	0	109	F801 C804 S810 L811 C812	F801-T808 HydrophobicContact CE2-CG2 4.38Å; C804-T808 PolarHBondContact O-N 3.46Å; C804-T808 PolarHBondContact O-OG1 3.08Å; T808-S810 VanDerWaalsContact C-N 3.28Å; T808-S810 PolarHBondContact O-N 2.66Å; T808-L811 HydrophobicContact CG2-CB 4.24Å; T808-L811 HydrophobicContact CG2-CD1 3.92Å; T808-L811 HydrophobicContact CG2-CG 3.85Å; T808-L811 PolarHBondContact O-N 3.2Å; T808-C812 PolarHBondContact O-N 2.64Å
809	E	75.9	Confident	82.3	Confident	181 Å²	181	58.3 Å²	58.3	85%	0.846	33%	0.325	S	S	*	.	H	α-helix	trans	-53.6	-42	-173	-171.1	172.4	-170	0	0	113.1	L811	E809-L811 VanDerWaalsContact C-N 3.28Å; E809-L811 PolarHBondContact O-N 2.89Å
810	S	74.1	Confident	81.4	Confident	34 Å²	34	58.3 Å²	58.3	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-25.4	178.3	57.9	0	0	0	0	114	T808 S813	T808-S810 VanDerWaalsContact C-N 3.28Å; T808-S810 PolarHBondContact O-N 2.66Å; S810-S813 PolarHBondContact O-OG 3.27Å; S810-S813 VanDerWaalsContact O-OG 3.09Å
811	L	81.3	Confident	79.7	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-100.1	-22.8	-177	-61.7	-178.9	0	0	0	113.7	F781 I797 F801 A805 T808 E809 S813 L814 F815	F781-L811 HydrophobicContact CE1-CD2 4.32Å; F781-L811 HydrophobicContact CE2-CD2 4.37Å; F781-L811 HydrophobicContact CZ-CD2 3.64Å; I797-L811 HydrophobicContact CD1-CD2 4Å; I797-L811 HydrophobicContact CG1-CD2 4.28Å; I797-L811 HydrophobicContact CG2-CD2 4.06Å; F801-L811 HydrophobicContact CB-CD1 4.05Å; F801-L811 HydrophobicContact CD1-CD1 3.45Å; F801-L811 VanDerWaalsContact CD1-CD1 3.45Å; F801-L811 HydrophobicContact CD2-CD1 3.35Å; F801-L811 HydrophobicContact CE1-CD1 3.55Å; F801-L811 HydrophobicContact CE2-CD1 3.45Å; F801-L811 VanDerWaalsContact CE2-CD1 3.45Å; F801-L811 HydrophobicContact CG-CD1 3.32Å; F801-L811 HydrophobicContact CZ-CD1 3.55Å; A805-L811 HydrophobicContact CB-CB 4.43Å; T808-L811 HydrophobicContact CG2-CB 4.24Å; T808-L811 HydrophobicContact CG2-CD1 3.92Å; T808-L811 HydrophobicContact CG2-CG 3.85Å; T808-L811 PolarHBondContact O-N 3.2Å; E809-L811 VanDerWaalsContact C-N 3.28Å; E809-L811 PolarHBondContact O-N 2.89Å; L811-S813 PolarHBondContact O-N 3.15Å; L811-L814 HydrophobicContact CB-CD1 4.25Å; L811-L814 HydrophobicContact CD2-CD1 3.67Å; L811-L814 VanDerWaalsContact O-CB 3.24Å; L811-L814 WeakPolarHBondContact O-CB 3.47Å; L811-L814 WeakPolarHBondContact O-CG 3.32Å; L811-L814 PolarHBondContact O-N 3.41Å; L811-F815 WeakPolarHBondContact O-CD2 3.43Å
812	C	77.1	Confident	77.6	Confident	57 Å²	57	69.8 Å²	69.8	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-58.5	-33.9	176.9	-168.2	0	0	0	0	111.3	A805 T808 L814 F815	A805-C812 PolarHBondContact O-N 2.83Å; T808-C812 PolarHBondContact O-N 2.64Å; C812-L814 PolarHBondContact O-N 3.14Å; C812-L814 VanDerWaalsContact O-N 3.09Å; C812-F815 PolarHBondContact O-N 3.07Å; C812-F815 VanDerWaalsContact O-N 3.15Å
813	S	78.9	Confident	75	Confident	88 Å²	88	72.1 Å²	72.1	62%	0.615	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.1	175.2	69.2	0	0	0	0	114.8	S810 L811 F815	S810-S813 PolarHBondContact O-OG 3.27Å; S810-S813 VanDerWaalsContact O-OG 3.09Å; L811-S813 PolarHBondContact O-N 3.15Å; S813-F815 VanDerWaalsContact C-N 3.27Å; S813-F815 PolarHBondContact O-N 3.32Å
814	L	83.2	Confident	72	Confident	7 Å²	7	77.6 Å²	77.6	4%	0.037	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.2	178.4	-58.5	172.1	0	0	0	113.4	I755 S756 V759 F781 L811 C812	I755-L814 CarbonylContact C-O 3.52Å; I755-L814 WeakPolarHBondContact CA-O 3.11Å; S756-L814 PolarHBondContact N-O 2.82Å; V759-L814 HydrophobicContact CG2-CD1 4.43Å; F781-L814 HydrophobicContact CE1-CD1 3.54Å; F781-L814 HydrophobicContact CZ-CD1 4.05Å; L811-L814 HydrophobicContact CB-CD1 4.25Å; L811-L814 HydrophobicContact CD2-CD1 3.67Å; L811-L814 VanDerWaalsContact O-CB 3.24Å; L811-L814 WeakPolarHBondContact O-CB 3.47Å; L811-L814 WeakPolarHBondContact O-CG 3.32Å; L811-L814 PolarHBondContact O-N 3.41Å; C812-L814 PolarHBondContact O-N 3.14Å; C812-L814 VanDerWaalsContact O-N 3.09Å
815	F	85.9	Confident	69.4	Low	21 Å²	21	84 Å²	84	9%	0.092	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.3	-175.2	-57.8	-91.1	0	0	0	110.5	L744 L753 S754 I755 M762 L777 A805 F806 L811 C812 S813	L744-F815 HydrophobicContact CD1-CD1 4.2Å; L744-F815 HydrophobicContact CD1-CE1 4.08Å; L753-F815 HydrophobicContact CD1-CB 4.38Å; L753-F815 HydrophobicContact CD1-CD1 4.4Å; S754-F815 WeakPolarHBondContact O-CA 3.47Å; I755-F815 HydrophobicContact CD1-CD1 4.46Å; I755-F815 HydrophobicContact CD1-CE1 4.08Å; I755-F815 HydrophobicContact CG1-CD1 3.73Å; I755-F815 HydrophobicContact CG1-CE1 3.75Å; M762-F815 HydrophobicContact CE-CE1 4.23Å; L777-F815 HydrophobicContact CD1-CE1 4.42Å; L777-F815 HydrophobicContact CD1-CZ 3.99Å; A805-F815 HydrophobicContact CB-CE2 3.73Å; A805-F815 HydrophobicContact CB-CZ 3.96Å; F806-F815 HydrophobicContact CE1-CG 4.47Å; L811-F815 WeakPolarHBondContact O-CD2 3.43Å; C812-F815 PolarHBondContact O-N 3.07Å; C812-F815 VanDerWaalsContact O-N 3.15Å; S813-F815 VanDerWaalsContact C-N 3.27Å; S813-F815 PolarHBondContact O-N 3.32Å
816	T	83.9	Confident	66.6	Low	86 Å²	86	90.3 Å²	90.3	53%	0.528	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.1	175.9	-49.4	0	0	0	0	110.3	L753 S754 V818	L753-T816 CarbonylContact C-O 3.57Å; L753-T816 WeakPolarHBondContact CA-O 3.41Å; S754-T816 PolarHBondContact N-O 2.85Å; S754-T816 PolarHBondContact O-N 3.1Å; T816-V818 PolarHBondContact O-N 3.1Å
817	I	81	Confident	63.8	Low	89 Å²	89	94 Å²	94	46%	0.456	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.6	171.5	-63.9	164.4	0	0	0	109.8	L753 R819	L753-I817 HydrophobicContact CD2-CB 4.03Å; L753-I817 HydrophobicContact CD2-CD1 4.42Å; L753-I817 HydrophobicContact CD2-CG1 3.22Å; I817-R819 HydrophobicContact CG2-CG 4.05Å
818	V	76.5	Confident	61.1	Low	48 Å²	48	96.5 Å²	96.5	29%	0.291	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.3	171.6	-175	0	0	0	0	108.9	F752 T816	F752-V818 HydrophobicContact CD1-CB 4.27Å; F752-V818 HydrophobicContact CD2-CB 4.24Å; F752-V818 HydrophobicContact CE1-CB 3.76Å; F752-V818 HydrophobicContact CE1-CG1 3.64Å; F752-V818 HydrophobicContact CE2-CB 3.73Å; F752-V818 HydrophobicContact CE2-CG1 4.18Å; F752-V818 HydrophobicContact CE2-CG2 3.89Å; F752-V818 HydrophobicContact CG-CB 4.5Å; F752-V818 HydrophobicContact CZ-CB 3.48Å; F752-V818 VanDerWaalsContact CZ-CB 3.48Å; F752-V818 HydrophobicContact CZ-CG1 3.43Å; F752-V818 VanDerWaalsContact CZ-CG1 3.43Å; F752-V818 HydrophobicContact CZ-CG2 3.99Å; F752-V818 PolarHBondContact N-O 2.78Å; F752-V818 PolarHBondContact O-N 2.86Å; T816-V818 PolarHBondContact O-N 3.1Å
819	R	69.8	Low	58.4	Low	174 Å²	174	99.6 Å²	99.6	66%	0.657	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-97.1	123.5	176	-67.4	178.8	171.7	153.7	-3.2	109.9	D726 I817	D726-R819 IonicContact OD1-CZ 3.65Å; D726-R819 IonicContact OD1-NE 3.72Å; D726-R819 PolarHBondContact OD1-NE 3.31Å; D726-R819 VanDerWaalsContact OD1-NE 3.09Å; D726-R819 IonicContact OD1-NH2 2.67Å; D726-R819 PolarHBondContact OD1-NH2 3.47Å; D726-R819 IonicContact OD2-NE 3.6Å; D726-R819 PolarHBondContact OD2-NE 2.98Å; I817-R819 HydrophobicContact CG2-CG 4.05Å
820	K	58.5	Low	56	Low	89 Å²	89	98.2 Å²	98.2	39%	0.387	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-102.2	131.9	168.4	-78.1	-172.9	172.2	-169.4	0	110.5	K679 P750 F752	K679-K820 WeakPolarHBondContact O-CE 3.48Å; K679-K820 PolarHBondContact O-NZ 3.43Å; P750-K820 HydrophobicContact CB-CB 4.04Å; F752-K820 HydrophobicContact CE1-CD 4.47Å; F752-K820 HydrophobicContact CE1-CG 4.45Å
821	K	48.6	Very low	53.8	Low	201 Å²	201	101 Å²	101	87%	0.874	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-64.2	133.7	162.3	-72.6	-177.5	177.6	179.4	0	108.1	T823	K821-T823 PolarHBondContact O-N 3.26Å; K821-T823 VanDerWaalsContact O-N 3.13Å
822	E	43.5	Very low	51.3	Low	160 Å²	160	110.6 Å²	110.6	75%	0.748	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-55.1	118	173.2	-75.4	-176.7	154.9	0	0	109.5	P750	P750-E822 HydrophobicContact CG-CG 3.75Å
823	T	34.4	Very low	49	Very low	114 Å²	114	111.6 Å²	111.6	70%	0.699	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-75.5	129.3	156.2	42.1	0	0	0	0	107.1	K821 N825	K821-T823 PolarHBondContact O-N 3.26Å; K821-T823 VanDerWaalsContact O-N 3.13Å; T823-N825 PolarHBondContact O-N 3.17Å
824	P	28.5	Very low	46.5	Very low	125 Å²	125	112 Å²	112	81%	0.812	61%	0.606	S	S	*	*			trans	-63.3	109.7	-179.1	25.6	-31.1	0	0	0	108.7	N826	P824-N826 PolarHBondContact O-N 3Å
825	N	34	Very low	43.8	Very low	144 Å²	144	121.8 Å²	121.8	77%	0.77	64%	0.642	S	S	*	*			trans	-67.6	132.2	169.6	-95.3	-12.2	0	0	0	108.7	T823	T823-N825 PolarHBondContact O-N 3.17Å
826	N	28	Very low	41.2	Very low	133 Å²	133	129.4 Å²	129.4	71%	0.711	68%	0.678	S	S	*	*			trans	-39.2	137.8	172.8	-110	-13.8	0	0	0	112.8	P824 T828	P824-N826 PolarHBondContact O-N 3Å; N826-T828 PolarHBondContact O-N 3.26Å
827	P	26.7	Very low	38.5	Very low	123 Å²	123	134.6 Å²	134.6	80%	0.799	70%	0.695	S	S	*	*			trans	-73.7	97.1	179.3	31.9	-30.4	0	0	0	108.5
828	T	27.8	Very low	36.2	Very low	116 Å²	116	135.7 Å²	135.7	71%	0.712	71%	0.711	S	S	*	*			trans	-117.4	117.1	166.1	41.9	0	0	0	0	108.5	N826	N826-T828 PolarHBondContact O-N 3.26Å
829	V	28.1	Very low	33.8	Very low	98 Å²	98	136.8 Å²	136.8	59%	0.594	73%	0.732	S	S	*	*			trans	68.3	75.4	164.6	-161.8	0	0	0	0	116.4	L831	V829-L831 HydrophobicContact CG1-CD1 3.99Å; V829-L831 HydrophobicContact CG1-CG 3.87Å; V829-L831 PolarHBondContact O-N 2.87Å; V829-L831 VanDerWaalsContact O-N 3.09Å
830	N	27.1	Very low	32.1	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	74%	0.744	S	S	*	*			trans	-74.1	87.6	156.9	-93.4	-28.4	0	0	0	110.1	R832	N830-R832 VanDerWaalsContact C-N 3.33Å; N830-R832 PolarHBondContact O-N 2.86Å; N830-R832 VanDerWaalsContact O-N 3.11Å
831	L	27.7	Very low	30.7	Very low	93 Å²	93	143 Å²	143	49%	0.487	77%	0.77	S	S	.	*			trans	-75.7	87.2	160.1	-82.7	161.6	0	0	0	108.8	K700 V829 G833	K700-L831 HydrophobicContact CD-CD1 4.3Å; V829-L831 HydrophobicContact CG1-CD1 3.99Å; V829-L831 HydrophobicContact CG1-CG 3.87Å; V829-L831 PolarHBondContact O-N 2.87Å; V829-L831 VanDerWaalsContact O-N 3.09Å; L831-G833 PolarHBondContact O-N 3.05Å; L831-G833 VanDerWaalsContact O-N 3.15Å
832	R	27.5	Very low	30	Very low	205 Å²	205	142.9 Å²	142.9	77%	0.774	77%	0.772	S	S	*	*			trans	-66.5	107.1	160.1	-80.8	-176.3	175.2	178.4	-1.4	108.4	K75 N830	K75-R832 PolarHBondContact NZ-O 2.91Å; K75-R832 VanDerWaalsContact NZ-O 3.08Å; N830-R832 VanDerWaalsContact C-N 3.33Å; N830-R832 PolarHBondContact O-N 2.86Å; N830-R832 VanDerWaalsContact O-N 3.11Å
833	G	29.9	Very low	29.3	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	78%	0.782	S	S	*	*			trans	-77	137.1	161.2	0	0	0	0	0	110.1	L831	L831-G833 PolarHBondContact O-N 3.05Å; L831-G833 VanDerWaalsContact O-N 3.15Å
834	S	26.1	Very low	29.3	Very low	98 Å²	98	146 Å²	146	69%	0.685	79%	0.791	S	S	*	*			trans	-93.9	140.5	-175.1	-174.7	0	0	0	0	110.4
835	R	27.2	Very low	29.3	Very low	211 Å²	211	143.6 Å²	143.6	80%	0.796	79%	0.789	S	S	*	*			trans	63.4	127.7	151.6	-69.3	168.6	-176.5	-171.1	-0.4	119.3
836	H	30.9	Very low	29.2	Very low	182 Å²	182	146.8 Å²	146.8	84%	0.843	79%	0.79	S	S	*	*				-169.5	141.2	96	-99.5	-67.5	0	0	0	113.9
837	H	26.7	Very low	29.4	Very low	195 Å²	195	150.5 Å²	150.5	90%	0.903	79%	0.794	S	S	*	*			trans	-73.3	126.1	168.1	-110.7	-50.8	0	0	0	110.6
838	S	33.3	Very low	29.5	Very low	111 Å²	111	148.1 Å²	148.1	78%	0.776	79%	0.792	S	S	*	*			trans	-170.2	126.2	149.3	55.6	0	0	0	0	106.2
839	G	26.2	Very low	29.7	Very low	72 Å²	72	153.4 Å²	153.4	74%	0.742	80%	0.799	S	S	*	*			cis	98	57.6	26.3	0	0	0	0	0	111.3
840	T	33.6	Very low	29.5	Very low	148 Å²	148	153.8 Å²	153.8	91%	0.908	81%	0.806	S	S	*	*			trans	-166.2	135.8	152.2	19.6	0	0	0	0	112.8
841	R	28.9	Very low	29.9	Very low	244 Å²	244	155.3 Å²	155.3	92%	0.921	81%	0.805	S	S	*	*			trans	-68.1	145.1	172.8	-70.4	166.9	161.5	168.9	-5.8	111.5
842	Q	33.5	Very low	30	Very low	200 Å²	200	166.1 Å²	166.1	94%	0.935	84%	0.84	S	S	*	*				-162.8	148.5	128.4	-111.3	179.9	11.1	0	0	112.8
843	R	30	Very low	30.1	Very low	254 Å²	254	164.2 Å²	164.2	96%	0.958	84%	0.843	S	S	*	*			trans	-85.8	156.5	-172.1	-79	171.2	157.7	173.3	-6.7	112.5
844	G	32.7	Very low	30.2	Very low	85 Å²	85	168.7 Å²	168.7	88%	0.876	85%	0.846	S	S	*	*			trans	126.3	130.6	160.7	0	0	0	0	0	110.6
845	G	30.1	Very low	30.4	Very low	75 Å²	75	172.7 Å²	172.7	77%	0.773	86%	0.855	S	S	*	*			cis	154.5	125.8	5.5	0	0	0	0	0	108
846	R	30.9	Very low	30.6	Very low	210 Å²	210	170.4 Å²	170.4	79%	0.792	86%	0.858	S	S	*	*			trans	74	127.4	159	-76.9	-177.1	168.9	-175.4	-1.3	122.3
847	R	32.7	Very low	30.5	Very low	211 Å²	211	169.7 Å²	169.7	80%	0.796	86%	0.859	S	S	*	*			trans	58.4	124	135.1	-62.1	176.6	174.9	-176.6	-3.6	116.4
848	G	28.5	Very low	30.8	Very low	73 Å²	73	168 Å²	168	75%	0.753	86%	0.856	S	S	*	*			cis	119.2	115.4	26.5	0	0	0	0	0	108.6
849	R	31.6	Very low	30.6	Very low	228 Å²	228	172.1 Å²	172.1	86%	0.86	86%	0.862	S	S	*	*			trans	177.6	125.1	142	-104.2	174	179	-176.5	-0.2	111.8
850	S	25.4	Very low	31	Very low	105 Å²	105	179.8 Å²	179.8	73%	0.734	87%	0.871	S	S	*	*			trans	-64.6	146.1	157.5	53.1	0	0	0	0	111.1
851	F	35.1	Very low	30.7	Very low	184 Å²	184	182.4 Å²	182.4	81%	0.807	87%	0.868	S	S	*	*			trans	-139.6	146.3	146.1	-94	-80.6	0	0	0	110.7
852	R	29.5	Very low	30.9	Very low	320 Å²	320	176.8 Å²	176.8	100%	1.208	86%	0.863	S	S	*	*			trans	-55.3	0	171.7	-75.1	177	169.4	-174.8	-4.2	112.7

Retrieved 852 of 852 residues in 586.4 ms (Link to these results)

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